A0A087Y120_POEFO Loading...

Nucleoporin 88

AlphaFold DB , UniProt , Accession A0A087Y120, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 713 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
1M25.9Very low54Low252 Ų252101.8 Ų101.8100%1.24157%0.574SS**  053.30-82.2-158.1-9400111.4
2A25.5Very low56.6Low107 Ų10797.7 Ų97.788%0.88455%0.549SS*.  trans-134.240.7-179.200000111.8
3A30.5Very low58.9Low73 Ų7390.2 Ų90.260%0.60351%0.507SS*.  trans-120.9-0.8-170.700000115
4F35.3Very low60.9Low219 Ų21985.9 Ų85.996%0.96149%0.485SS*.SBendtrans-101.75.8-173.7-81.1-77000115.1
5G39.7Very low62.5Low46 Ų4687.2 Ų87.247%0.47449%0.49SS..SBendtrans-116.3-1.2-179.600000115.6D7 N68G5-D7 PolarHBondContact O-N 2.76Å; G5-N68 PolarHBondContact O-OD1 3.34Å; G5-N68 VanDerWaalsContact O-OD1 3.07Å
6A51.9Low64.2Low39 Ų3982 Ų8232%0.32246%0.461SS..THydrogen-bonded Turntrans-85.4-5.9-164.200000115.8W9A6-W9 VanDerWaalsContact O-CD1 3.23Å; A6-W9 PolarHBondContact O-NE1 3Å; A6-W9 VanDerWaalsContact O-NE1 3.1Å
7D66.3Low65.6Low97 Ų9780.5 Ų80.552%0.51945%0.454SS..THydrogen-bonded Turntrans-115.53.9-164.2-58.6-33.9000114.8G5 L10G5-D7 PolarHBondContact O-N 2.76Å; D7-L10 HydrophobicContact CB-CD1 4.09Å; D7-L10 WeakPolarHBondContact O-CB 3.4Å; D7-L10 PolarHBondContact O-N 2.97Å
8R74.4Confident66.9Low142 Ų14276 Ų7654%0.53643%0.429SS..Hα-helixtrans-67.6-45.5-177.5-72.1-173.6179.2-169.4-0.1112L10 N11 D12R8-L10 PolarHBondContact O-N 2.73Å; R8-N11 PolarHBondContact O-N 3.41Å; R8-D12 PolarHBondContact O-N 3.47Å
9W81.3Confident68.1Low1 Ų172 Ų720%0.00441%0.406CS..Hα-helixtrans-61.5-26-179.475.5-74.5000113.2A6 N11 D12 L13 L64 L67 N68 L450 T453 I455 M465A6-W9 VanDerWaalsContact O-CD1 3.23Å; A6-W9 PolarHBondContact O-NE1 3Å; A6-W9 VanDerWaalsContact O-NE1 3.1Å; W9-N11 PolarHBondContact O-N 3.38Å; W9-D12 PolarHBondContact O-N 3.37Å; W9-L13 WeakPolarHBondContact O-CB 3.45Å; W9-L13 PolarHBondContact O-N 2.67Å; W9-L64 HydrophobicContact CE3-CB 4.28Å; W9-L64 HydrophobicContact CE3-CD1 4.42Å; W9-L64 HydrophobicContact CE3-CD2 4.26Å; W9-L64 HydrophobicContact CZ3-CD1 3.96Å; W9-L64 HydrophobicContact CZ3-CD2 4.45Å; W9-L67 HydrophobicContact CB-CB 3.91Å; W9-N68 HydrophobicContact CB-CB 4.15Å; W9-N68 HydrophobicContact CG-CB 4.36Å; W9-L450 HydrophobicContact CD2-CD2 4.03Å; W9-L450 HydrophobicContact CG-CD2 4.09Å; W9-L450 HydrophobicContact CH2-CB 4.4Å; W9-L450 HydrophobicContact CZ2-CB 3.93Å; W9-L450 WeakPolarHBondContact CZ2-O 3.35Å; W9-T453 HydrophobicContact CH2-CG2 3.84Å; W9-T453 HydrophobicContact CZ2-CG2 4.17Å; W9-T453 WeakPolarHBondContact CZ2-OG1 3.42Å; W9-I455 HydrophobicContact CZ3-CD1 4.23Å; W9-M465 HydrophobicContact CD2-CE 4.1Å; W9-M465 HydrophobicContact CE3-CE 3.34Å; W9-M465 HydrophobicContact CH2-CE 3.42Å; W9-M465 VanDerWaalsContact CH2-CE 3.42Å; W9-M465 HydrophobicContact CZ2-CE 4.15Å; W9-M465 HydrophobicContact CZ3-CE 2.97Å
10L81Confident69Low33 Ų3373.4 Ų73.417%0.17341%0.407CS..Hα-helixtrans-62.9-29.9174-63.2176.2000112.4D7 R8 P14 T453 M465D7-L10 HydrophobicContact CB-CD1 4.09Å; D7-L10 WeakPolarHBondContact O-CB 3.4Å; D7-L10 PolarHBondContact O-N 2.97Å; R8-L10 PolarHBondContact O-N 2.73Å; L10-P14 WeakPolarHBondContact O-CD 3.23Å; L10-P14 VanDerWaalsContact O-CG 3.32Å; L10-P14 WeakPolarHBondContact O-CG 3.47Å; L10-T453 HydrophobicContact CD2-CG2 3.85Å; L10-M465 HydrophobicContact CD2-CB 4.27Å; L10-M465 HydrophobicContact CD2-CE 3.67Å
11N82.3Confident69.8Low111 Ų11171.9 Ų71.959%0.59440%0.397SS*.Hα-helixtrans-93.2-31.5176.3-67-48.7000112.3R8 W9 N15R8-N11 PolarHBondContact O-N 3.41Å; W9-N11 PolarHBondContact O-N 3.38Å; N11-N15 PolarHBondContact O-ND2 3.34Å
12D84.9Confident72.8Confident52 Ų5260.1 Ų60.128%0.27834%0.339SS..Hα-helixtrans-78.2-40.2-175.5-79.817.5000112.7R8 W9 N15 H16 S75R8-D12 PolarHBondContact O-N 3.47Å; W9-D12 PolarHBondContact O-N 3.37Å; D12-N15 CarbonylContact O-C 3.6Å; D12-N15 PolarHBondContact O-N 3.11Å; D12-H16 PolarHBondContact O-N 3.19Å; D12-S75 PolarHBondContact OD2-OG 3.48Å
13L86.4Confident75.7Confident0 Ų060 Ų600%032%0.315CS..THydrogen-bonded Turntrans-63.3-45.9-178.4-178.369.3000112.6W9 N15 H16 F19 F49 T62 L64 L67 I455 M465W9-L13 WeakPolarHBondContact O-CB 3.45Å; W9-L13 PolarHBondContact O-N 2.67Å; L13-N15 PolarHBondContact O-N 2.89Å; L13-H16 WeakPolarHBondContact O-CB 3.18Å; L13-H16 PolarHBondContact O-N 3.23Å; L13-F19 HydrophobicContact CD1-CE2 4.14Å; L13-F19 HydrophobicContact CG-CE2 4.22Å; L13-F19 VanDerWaalsContact O-CD2 3.27Å; L13-F19 WeakPolarHBondContact O-CD2 3.39Å; L13-F19 WeakPolarHBondContact O-CE2 3.49Å; L13-F49 HydrophobicContact CD1-CD1 4.25Å; L13-T62 HydrophobicContact CD1-CG2 4.16Å; L13-L64 HydrophobicContact CD1-CD2 3.81Å; L13-L64 HydrophobicContact CD2-CD2 3.76Å; L13-L64 HydrophobicContact CG-CD2 4.28Å; L13-L67 HydrophobicContact CB-CD1 4.32Å; L13-L67 HydrophobicContact CD1-CD1 4.2Å; L13-I455 HydrophobicContact CD2-CD1 3.76Å; L13-M465 HydrophobicContact CB-CE 4.36Å; L13-M465 HydrophobicContact CB-SD 3.74Å; L13-M465 HydrophobicContact CD2-CE 3.84Å; L13-M465 HydrophobicContact CD2-SD 3.75Å; L13-M465 HydrophobicContact CG-SD 4.17Å
14P86.9Confident78.2Confident31 Ų3164 Ų6420%0.20132%0.322CS..THydrogen-bonded Turntrans-60.8-28.5176.7-26.237.9000113.9L10 C463 M465L10-P14 WeakPolarHBondContact O-CD 3.23Å; L10-P14 VanDerWaalsContact O-CG 3.32Å; L10-P14 WeakPolarHBondContact O-CG 3.47Å; P14-C463 HydrophobicContact CB-CB 4.43Å; P14-C463 WeakPolarHBondContact CB-O 3.48Å; P14-M465 HydrophobicContact CG-CG 4.2Å; P14-M465 HydrophobicContact CG-SD 3.78Å
15N85.4Confident80.2Confident105 Ų10559.8 Ų59.856%0.56130%0.299SS*.THydrogen-bonded Turntrans-955.1179.8-68.4-56.2000113.4N11 D12 L13 K20N11-N15 PolarHBondContact O-ND2 3.34Å; D12-N15 CarbonylContact O-C 3.6Å; D12-N15 PolarHBondContact O-N 3.11Å; L13-N15 PolarHBondContact O-N 2.89Å; N15-K20 WeakPolarHBondContact O-CE 3.38Å
16H89.4Confident81.9Confident4 Ų460.1 Ų60.12%0.01929%0.29CS..  trans-65.2149.9-173.7-163.5-87.7000112.4D12 L13 I18 F19 T62 G76D12-H16 PolarHBondContact O-N 3.19Å; L13-H16 WeakPolarHBondContact O-CB 3.18Å; L13-H16 PolarHBondContact O-N 3.23Å; H16-I18 WeakPolarHBondContact ND1-CD1 3.34Å; H16-I18 VanDerWaalsContact ND1-CG1 3.35Å; H16-I18 WeakPolarHBondContact ND1-CG1 3.15Å; H16-I18 PolarHBondContact ND1-N 2.73Å; H16-I18 PolarHBondContact O-N 3.46Å; H16-F19 HydrophobicContact CB-CD2 4.16Å; H16-F19 HydrophobicContact CB-CE2 4.48Å; H16-F19 PolarHBondContact O-N 3.3Å; H16-T62 PolarHBondContact NE2-OG1 3Å; H16-G76 VanDerWaalsContact NE2-CA 3.34Å; H16-G76 WeakPolarHBondContact NE2-CA 3.49Å
17T87.6Confident82.3Confident56 Ų5664 Ų6434%0.34431%0.305SS..Hα-helixtrans-57.9-33-176.251.40000113.3F19 K20 K21 G76 Y78T17-F19 PolarHBondContact O-N 2.93Å; T17-K20 PolarHBondContact O-N 2.94Å; T17-K21 WeakPolarHBondContact O-CB 3.37Å; T17-K21 PolarHBondContact O-N 3.49Å; T17-G76 PolarHBondContact OG1-O 2.73Å; T17-Y78 WeakPolarHBondContact OG1-CD1 3.39Å
18I89.8Confident81.8Confident0 Ų063.6 Ų63.60%031%0.308CS..Hα-helixtrans-53.2-50.5175.9-65.4167.2000111.2H16 K20 K21 I22 L51 Y60 T62 Y78H16-I18 WeakPolarHBondContact ND1-CD1 3.34Å; H16-I18 VanDerWaalsContact ND1-CG1 3.35Å; H16-I18 WeakPolarHBondContact ND1-CG1 3.15Å; H16-I18 PolarHBondContact ND1-N 2.73Å; H16-I18 PolarHBondContact O-N 3.46Å; I18-K20 PolarHBondContact O-N 3.5Å; I18-K21 PolarHBondContact O-N 2.92Å; I18-I22 HydrophobicContact CG2-CD1 4.17Å; I18-I22 WeakPolarHBondContact O-CG1 3.26Å; I18-I22 PolarHBondContact O-N 2.76Å; I18-L51 HydrophobicContact CG2-CB 4.49Å; I18-L51 HydrophobicContact CG2-CD2 3.66Å; I18-Y60 HydrophobicContact CG1-CG 4.36Å; I18-Y60 HydrophobicContact CG2-CD2 4.03Å; I18-Y60 HydrophobicContact CG2-CG 3.99Å; I18-T62 HydrophobicContact CD1-CG2 3.99Å; I18-Y78 HydrophobicContact CD1-CG 4.38Å; I18-Y78 HydrophobicContact CG1-CD1 4.14Å; I18-Y78 HydrophobicContact CG1-CD2 4.47Å; I18-Y78 HydrophobicContact CG1-CG 3.93Å
19F89.7Confident80.3Confident0 Ų064.3 Ų64.30%032%0.318CS..Hα-helixtrans-71.3-30.7-178.2-61.9-72.6000112.5L13 H16 T17 R23 F49 L51 I457 Y461 C463L13-F19 HydrophobicContact CD1-CE2 4.14Å; L13-F19 HydrophobicContact CG-CE2 4.22Å; L13-F19 VanDerWaalsContact O-CD2 3.27Å; L13-F19 WeakPolarHBondContact O-CD2 3.39Å; L13-F19 WeakPolarHBondContact O-CE2 3.49Å; H16-F19 HydrophobicContact CB-CD2 4.16Å; H16-F19 HydrophobicContact CB-CE2 4.48Å; H16-F19 PolarHBondContact O-N 3.3Å; T17-F19 PolarHBondContact O-N 2.93Å; F19-R23 WeakPolarHBondContact O-CB 3.43Å; F19-R23 VanDerWaalsContact O-CG 3.24Å; F19-R23 WeakPolarHBondContact O-CG 3.42Å; F19-R23 PolarHBondContact O-N 3.23Å; F19-R23 VanDerWaalsContact O-N 3.15Å; F19-R23 PolarHBondContact O-NE 3.44Å; F19-F49 AromaticContact CZ-CE1 3.99Å; F19-F49 HydrophobicContact CZ-CE1 3.99Å; F19-F49 HydrophobicContact CZ-CZ 4.03Å; F19-L51 HydrophobicContact CD1-CD2 4.18Å; F19-L51 HydrophobicContact CE1-CD2 3.85Å; F19-I457 HydrophobicContact CE1-CD1 3.85Å; F19-I457 HydrophobicContact CE1-CG1 4.01Å; F19-I457 HydrophobicContact CE1-CG2 4.41Å; F19-I457 HydrophobicContact CZ-CD1 4.13Å; F19-I457 HydrophobicContact CZ-CG1 4.4Å; F19-Y461 WeakPolarHBondContact CD1-O 3.29Å; F19-C463 HydrophobicContact CD1-CB 4.25Å; F19-C463 HydrophobicContact CD2-CB 4.22Å; F19-C463 HydrophobicContact CE1-CB 3.78Å; F19-C463 HydrophobicContact CE2-CB 3.75Å; F19-C463 HydrophobicContact CG-CB 4.47Å; F19-C463 HydrophobicContact CZ-CB 3.51Å
20K86.1Confident78.6Confident99 Ų9968 Ų6843%0.4334%0.344SS..Hα-helixtrans-67-47.4174.7-66.8179.6-178.9172.80110.8N15 T17 I18 I22 R23 E24N15-K20 WeakPolarHBondContact O-CE 3.38Å; T17-K20 PolarHBondContact O-N 2.94Å; I18-K20 PolarHBondContact O-N 3.5Å; K20-I22 VanDerWaalsContact C-N 3.32Å; K20-I22 PolarHBondContact O-N 2.72Å; K20-R23 PolarHBondContact O-N 2.8Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.34Å
21K86.5Confident77.1Confident42 Ų4270.4 Ų70.418%0.18335%0.354CS..Hα-helixtrans-60.2-39.6-179.7-172.9179.8-178.2-171.70113T17 I18 R25 Y60T17-K21 WeakPolarHBondContact O-CB 3.37Å; T17-K21 PolarHBondContact O-N 3.49Å; I18-K21 PolarHBondContact O-N 2.92Å; K21-R25 WeakPolarHBondContact O-CG 3.49Å; K21-Y60 HydrophobicContact CD-CE1 4.37Å; K21-Y60 WeakPolarHBondContact CD-OH 3.35Å; K21-Y60 WeakPolarHBondContact CE-OH 3.42Å; K21-Y60 PolarHBondContact NZ-OH 3.49Å
22I87.2Confident75.2Confident5 Ų574 Ų743%0.02636%0.359CS..Hα-helixtrans-69.8-47.1176.8-64.7168.5000109.9I18 K20 E24 R25 L26 L51 Y60 Y461I18-I22 HydrophobicContact CG2-CD1 4.17Å; I18-I22 WeakPolarHBondContact O-CG1 3.26Å; I18-I22 PolarHBondContact O-N 2.76Å; K20-I22 VanDerWaalsContact C-N 3.32Å; K20-I22 PolarHBondContact O-N 2.72Å; I22-E24 PolarHBondContact O-N 3.08Å; I22-R25 PolarHBondContact O-N 3.21Å; I22-R25 VanDerWaalsContact O-N 3.09Å; I22-L26 PolarHBondContact O-N 2.81Å; I22-L51 HydrophobicContact CD1-CD2 3.33Å; I22-L51 HydrophobicContact CD1-CG 4.05Å; I22-Y60 HydrophobicContact CD1-CD2 4.22Å; I22-Y60 HydrophobicContact CD1-CE2 4.43Å; I22-Y60 HydrophobicContact CG1-CE2 4.29Å; I22-Y461 HydrophobicContact CB-CD1 4.39Å; I22-Y461 HydrophobicContact CB-CG 4.49Å; I22-Y461 HydrophobicContact CD1-CD1 4.08Å; I22-Y461 HydrophobicContact CD1-CE1 4.03Å; I22-Y461 HydrophobicContact CG2-CD1 3.71Å; I22-Y461 HydrophobicContact CG2-CD2 3.7Å; I22-Y461 HydrophobicContact CG2-CE1 3.7Å; I22-Y461 HydrophobicContact CG2-CE2 3.68Å; I22-Y461 HydrophobicContact CG2-CG 3.7Å
23R86.6Confident72.9Confident105 Ų10579 Ų7940%0.39639%0.386SS..Hα-helixtrans-62.1-36.9-179.6-75-178.1-67.2173.9-6.8114.3F19 K20 R25 L26 S460F19-R23 WeakPolarHBondContact O-CB 3.43Å; F19-R23 VanDerWaalsContact O-CG 3.24Å; F19-R23 WeakPolarHBondContact O-CG 3.42Å; F19-R23 PolarHBondContact O-N 3.23Å; F19-R23 VanDerWaalsContact O-N 3.15Å; F19-R23 PolarHBondContact O-NE 3.44Å; K20-R23 PolarHBondContact O-N 2.8Å; R23-R25 PolarHBondContact O-N 2.87Å; R23-L26 HydrophobicContact CB-CD1 4.46Å; R23-L26 HydrophobicContact CG-CD1 4.16Å; R23-L26 PolarHBondContact O-N 3.44Å; R23-S460 WeakPolarHBondContact CD-O 3.24Å; R23-S460 WeakPolarHBondContact CG-O 3.34Å
24E83.8Confident71.1Confident158 Ų15885.5 Ų85.574%0.73842%0.416SS*.THydrogen-bonded Turntrans-63.7-18176.6-76.2169.8-172.800113.6K20 I22K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.34Å; I22-E24 PolarHBondContact O-N 3.08Å
25R77.9Confident69.7Low130 Ų13093.6 Ų93.649%0.49145%0.448SS..THydrogen-bonded Turntrans-1163.3-174.9-61.6179.9-179-171.40.8113.2K21 I22 R23 D27 E56K21-R25 WeakPolarHBondContact O-CG 3.49Å; I22-R25 PolarHBondContact O-N 3.21Å; I22-R25 VanDerWaalsContact O-N 3.09Å; R23-R25 PolarHBondContact O-N 2.87Å; R25-D27 PolarHBondContact O-N 2.68Å; R25-E56 IonicContact CZ-OE1 3.2Å; R25-E56 VanDerWaalsContact NH1-CD 3.28Å; R25-E56 IonicContact NH1-OE1 2.75Å; R25-E56 PolarHBondContact NH1-OE1 2.96Å; R25-E56 IonicContact NH1-OE2 2.69Å
26L75.4Confident68.6Low53 Ų5390.6 Ų90.628%0.27743%0.431SS..  trans-69.5112.5169.2-74.6165.8000107.4I22 R23 P28 Y461I22-L26 PolarHBondContact O-N 2.81Å; R23-L26 HydrophobicContact CB-CD1 4.46Å; R23-L26 HydrophobicContact CG-CD1 4.16Å; R23-L26 PolarHBondContact O-N 3.44Å; L26-P28 VanDerWaalsContact O-CD 3.3Å; L26-P28 WeakPolarHBondContact O-CD 3.19Å; L26-Y461 HydrophobicContact CD1-CD2 3.8Å; L26-Y461 HydrophobicContact CD1-CE2 4.37Å; L26-Y461 HydrophobicContact CD2-CD2 4.23Å; L26-Y461 HydrophobicContact CD2-CE2 3.95Å; L26-Y461 HydrophobicContact CG-CD2 4.49Å
27D59.8Low67.9Low119 Ų11993.7 Ų93.764%0.63645%0.45SS*.  trans-72.5116.9171.2-92.3-30.3000108.9R25 E29 S30R25-D27 PolarHBondContact O-N 2.68Å; D27-E29 PolarHBondContact O-N 3.49Å; D27-E29 VanDerWaalsContact O-N 3.1Å; D27-S30 PolarHBondContact O-N 3.41Å; D27-S30 VanDerWaalsContact O-N 3.09Å; D27-S30 PolarHBondContact O-OG 2.91Å
28P55.2Low67.6Low90 Ų9091.6 Ų91.658%0.58444%0.439SS*.THydrogen-bonded Turntrans-66.4-13-178.326.5-33.8000113.2L26L26-P28 VanDerWaalsContact O-CD 3.3Å; L26-P28 WeakPolarHBondContact O-CD 3.19Å
29E42.3Very low67.6Low157 Ų15792.1 Ų92.173%0.73444%0.441SS*.THydrogen-bonded Turntrans-82.2-24.3175.4-63.9-159.215200113.2D27 E31D27-E29 PolarHBondContact O-N 3.49Å; D27-E29 VanDerWaalsContact O-N 3.1Å; E29-E31 VanDerWaalsContact C-N 3.29Å; E29-E31 PolarHBondContact O-N 3.42Å
30S47.5Very low67.7Low79 Ų7993 Ų9355%0.55245%0.445SS*.G310 helixtrans-71.5-23.9178.272.30000113.1D27 R32D27-S30 PolarHBondContact O-N 3.41Å; D27-S30 VanDerWaalsContact O-N 3.09Å; D27-S30 PolarHBondContact O-OG 2.91Å; S30-R32 VanDerWaalsContact C-N 3.27Å; S30-R32 PolarHBondContact O-N 2.89Å
31E48.8Very low68.1Low83 Ų8388.3 Ų88.339%0.38843%0.425SS..G310 helixtrans-75-10.2-179.5-65.8-174.316400113.7E29E29-E31 VanDerWaalsContact C-N 3.29Å; E29-E31 PolarHBondContact O-N 3.42Å
32R42.4Very low68.5Low187 Ų18786.4 Ų86.471%0.70642%0.417SS*.G310 helixtrans-85.1-18.8-171.6-70.6-174.7176.6-173.4-1.6115.2S30S30-R32 VanDerWaalsContact C-N 3.27Å; S30-R32 PolarHBondContact O-N 2.89Å
33N36.4Very low68.8Low156 Ų15686.9 Ų86.983%0.83442%0.419SS*.SBendtrans-122.3-10-165.2-76.7-21.7000116.8
34E49.1Very low69Low136 Ų13683 Ų8364%0.63641%0.408SS*.SBendtrans-107134.1176.4-69.5-169.7163.500111E36E34-E36 PolarHBondContact O-N 3.25Å
35K56Low69.2Low201 Ų20176.6 Ų76.687%0.87438%0.378SS*.  trans-59.6103.2164.8-79.3-173177.2-173.10107.1T37K35-T37 PolarHBondContact O-N 3.06Å; K35-T37 VanDerWaalsContact O-N 3.09Å
36E64.1Low69.5Low43 Ų4372.6 Ų72.620%0.20138%0.378CS..  trans-65.2113.5-178.7-64.4-154.1117.300109.6E34 P438 R440 S459E34-E36 PolarHBondContact O-N 3.25Å; E36-P438 HydrophobicContact CB-CG 3.44Å; E36-P438 VanDerWaalsContact CB-CG 3.44Å; E36-P438 WeakPolarHBondContact O-CG 3.18Å; E36-R440 IonicContact OE1-CZ 2.69Å; E36-R440 IonicContact OE1-NH2 3.6Å; E36-R440 PolarHBondContact OE1-NH2 2.92Å; E36-S459 VanDerWaalsContact OE2-CB 3.22Å; E36-S459 WeakPolarHBondContact OE2-CB 3.27Å; E36-S459 PolarHBondContact OE2-OG 3.13Å
37T74.1Confident69.9Low69 Ų6970.1 Ų70.142%0.42337%0.365SS..  trans-98.8151.2176.6480000110.8K35 K39 R440K35-T37 PolarHBondContact O-N 3.06Å; K35-T37 VanDerWaalsContact O-N 3.09Å; T37-K39 PolarHBondContact O-N 3.44Å; T37-R440 PolarHBondContact O-NH1 3.25Å
38A82.1Confident71.3Confident12 Ų1264.8 Ų64.810%0.09934%0.336CS..  trans-61.7129.1174.400000110.6K367 V439A38-K367 PolarHBondContact O-NZ 2.87Å; A38-V439 CarbonylContact C-O 3.59Å; A38-V439 WeakPolarHBondContact CA-O 3.38Å
39K89.2Confident73.1Confident10 Ų1060.5 Ų60.54%0.04331%0.308CS..  trans-115.7168177.7-67.4-173.4177-173.20110.1T37 L41 D54 V91 C92 V439 R440T37-K39 PolarHBondContact O-N 3.44Å; K39-L41 HydrophobicContact CB-CD1 4.44Å; K39-L41 HydrophobicContact CB-CD2 4.33Å; K39-L41 HydrophobicContact CB-CG 3.95Å; K39-L41 HydrophobicContact CD-CD1 3.91Å; K39-L41 HydrophobicContact CD-CD2 4.23Å; K39-L41 HydrophobicContact CD-CG 4.15Å; K39-D54 IonicContact NZ-OD2 3.04Å; K39-D54 PolarHBondContact NZ-OD2 2.76Å; K39-V91 PolarHBondContact NZ-O 2.76Å; K39-C92 WeakPolarHBondContact CA-O 3.42Å; K39-C92 WeakPolarHBondContact CB-O 3.36Å; K39-V439 PolarHBondContact N-O 2.66Å; K39-V439 VanDerWaalsContact O-O 3.11Å; K39-R440 CarbonylContact C-O 3.57Å; K39-R440 CarbonylContact O-C 3.53Å
40N91.9Very high75.6Confident18 Ų1853 Ų5310%0.09627%0.273CS..BIsolated β-bridgetrans-129.886.1166.6-167.68.5000110.3T42 C92 Q93 L94 R440 F442N40-T42 PolarHBondContact OD1-O 2.71Å; N40-C92 PolarHBondContact N-O 3.4Å; N40-Q93 HydrophobicContact CB-CG 4.44Å; N40-Q93 CarbonylContact O-C 3.52Å; N40-Q93 VanDerWaalsContact O-CA 3.32Å; N40-Q93 WeakPolarHBondContact O-CA 3.28Å; N40-L94 PolarHBondContact O-N 3.44Å; N40-R440 CarbonylContact C-O 3.57Å; N40-R440 WeakPolarHBondContact CA-O 3.31Å; N40-R440 PolarHBondContact N-O 3.47Å; N40-F442 PolarHBondContact OD1-N 3.41Å; N40-F442 PolarHBondContact OD1-O 3.1Å
41L93.4Very high77.8Confident2 Ų249.3 Ų49.31%0.0125%0.247CC..  trans-98.817.3-174.1-59.4-175.1000113.1K39 W52 V91 L94 R440K39-L41 HydrophobicContact CB-CD1 4.44Å; K39-L41 HydrophobicContact CB-CD2 4.33Å; K39-L41 HydrophobicContact CB-CG 3.95Å; K39-L41 HydrophobicContact CD-CD1 3.91Å; K39-L41 HydrophobicContact CD-CD2 4.23Å; K39-L41 HydrophobicContact CD-CG 4.15Å; L41-W52 HydrophobicContact CB-CB 4.3Å; L41-W52 PolarHBondContact O-N 2.88Å; L41-V91 HydrophobicContact CD2-CB 4.35Å; L41-V91 HydrophobicContact CD2-CG1 4Å; L41-L94 VanDerWaalsContact O-CD1 3.25Å; L41-L94 WeakPolarHBondContact O-CD1 3.37Å; L41-R440 PolarHBondContact N-O 2.96Å
42T94.7Very high80Confident2 Ų245.3 Ų45.31%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-136.4151.8-179.252.70000112.8N40 F49 F50 L51 G441 F442 I457N40-T42 PolarHBondContact OD1-O 2.71Å; T42-F49 HydrophobicContact CG2-CE2 3.94Å; T42-F49 HydrophobicContact CG2-CZ 3.82Å; T42-F50 VanDerWaalsContact CA-O 3.27Å; T42-F50 WeakPolarHBondContact CA-O 3.45Å; T42-F50 WeakPolarHBondContact CB-O 3.44Å; T42-L51 HydrophobicContact CG2-CB 4.27Å; T42-L51 HydrophobicContact CG2-CD1 3.35Å; T42-L51 HydrophobicContact CG2-CG 4.4Å; T42-G441 VanDerWaalsContact OG1-CA 3.26Å; T42-G441 WeakPolarHBondContact OG1-CA 3.47Å; T42-F442 PolarHBondContact OG1-N 2.76Å; T42-I457 HydrophobicContact CG2-CD1 3.42Å; T42-I457 VanDerWaalsContact CG2-CD1 3.42Å
43F93.6Very high82.4Confident14 Ų1436.7 Ų36.76%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-150.5163.9166.268.3-83.6000109.5F50 F59 L94 L96 V103 L116F43-F50 HydrophobicContact CD1-CB 3.82Å; F43-F50 HydrophobicContact CD1-CG 4.45Å; F43-F50 HydrophobicContact CD2-CB 4.38Å; F43-F50 AromaticContact CD2-CD2 3.88Å; F43-F50 HydrophobicContact CD2-CD2 3.88Å; F43-F50 HydrophobicContact CD2-CG 4.31Å; F43-F50 HydrophobicContact CE1-CB 3.39Å; F43-F50 HydrophobicContact CE1-CD1 4.3Å; F43-F50 HydrophobicContact CE1-CD2 4.31Å; F43-F50 AromaticContact CE1-CG 3.77Å; F43-F50 HydrophobicContact CE1-CG 3.77Å; F43-F50 HydrophobicContact CE2-CB 4Å; F43-F50 HydrophobicContact CE2-CD1 4.24Å; F43-F50 AromaticContact CE2-CD2 3.31Å; F43-F50 HydrophobicContact CE2-CD2 3.31Å; F43-F50 AromaticContact CE2-CE2 3.78Å; F43-F50 HydrophobicContact CE2-CE2 3.78Å; F43-F50 AromaticContact CE2-CG 3.59Å; F43-F50 HydrophobicContact CE2-CG 3.59Å; F43-F50 HydrophobicContact CE2-CZ 4.39Å; F43-F50 HydrophobicContact CG-CB 4.28Å; F43-F50 HydrophobicContact CZ-CB 3.48Å; F43-F50 VanDerWaalsContact CZ-CB 3.48Å; F43-F50 AromaticContact CZ-CD1 3.65Å; F43-F50 HydrophobicContact CZ-CD1 3.65Å; F43-F50 AromaticContact CZ-CD2 3.56Å; F43-F50 HydrophobicContact CZ-CD2 3.56Å; F43-F50 HydrophobicContact CZ-CE1 4.26Å; F43-F50 HydrophobicContact CZ-CE2 4.19Å; F43-F50 AromaticContact CZ-CG 3.26Å; F43-F50 HydrophobicContact CZ-CG 3.26Å; F43-F50 HydrophobicContact CZ-CZ 4.5Å; F43-F50 PolarHBondContact N-O 3.28Å; F43-F50 PolarHBondContact O-N 2.73Å; F43-F59 HydrophobicContact CD1-CE1 4.47Å; F43-F59 HydrophobicContact CE1-CD1 4.32Å; F43-F59 AromaticContact CE1-CE1 3.77Å; F43-F59 HydrophobicContact CE1-CE1 3.77Å; F43-F59 HydrophobicContact CE1-CZ 4.09Å; F43-L94 HydrophobicContact CD1-CB 4.35Å; F43-L94 HydrophobicContact CD1-CD1 3.85Å; F43-L94 HydrophobicContact CE1-CD1 4.32Å; F43-L96 HydrophobicContact CD2-CD1 4.28Å; F43-L96 HydrophobicContact CE2-CD1 4.23Å; F43-V103 HydrophobicContact CD1-CG1 4.19Å; F43-V103 HydrophobicContact CE1-CB 4.49Å; F43-V103 HydrophobicContact CE1-CG1 3.79Å; F43-V103 HydrophobicContact CE1-CG2 3.95Å; F43-V103 HydrophobicContact CE2-CG2 3.88Å; F43-V103 HydrophobicContact CZ-CB 4.47Å; F43-V103 HydrophobicContact CZ-CG1 4.24Å; F43-V103 HydrophobicContact CZ-CG2 3.51Å; F43-L116 HydrophobicContact CZ-CD2 4.32Å
44C91.1Very high84.8Confident24 Ų2431.2 Ų31.216%0.16217%0.167CC..EExtended strand (participates in β ladder)trans-119.1143.2171.5-800000110.1D48 L443C44-D48 VanDerWaalsContact CA-O 3.29Å; C44-D48 WeakPolarHBondContact CA-O 3.26Å; C44-L443 HydrophobicContact CB-CD1 4.14Å; C44-L443 HydrophobicContact CB-CD2 4.48Å; C44-L443 WeakPolarHBondContact SG-CD1 3.3Å
45L88.8Confident86.5Confident23 Ų2328.8 Ų28.812%0.1217%0.166CC..EExtended strand (participates in β ladder)trans-123100.4170.8177.860.8000108.6G47 D48 F50 L96 Q100 L116L45-G47 PolarHBondContact O-N 2.8Å; L45-D48 PolarHBondContact N-O 3.43Å; L45-D48 PolarHBondContact O-N 3.19Å; L45-F50 HydrophobicContact CB-CE2 3.93Å; L45-L96 HydrophobicContact CD1-CD2 4.13Å; L45-Q100 HydrophobicContact CD1-CB 3.71Å; L45-Q100 HydrophobicContact CD1-CG 4.27Å; L45-L116 HydrophobicContact CD2-CD1 3.69Å
46G83.8Confident88Confident47 Ų4722.6 Ų22.649%0.48514%0.14SC..THydrogen-bonded Turntrans59.5-108.8-169.900000110.9
47G84.3Confident89.3Confident0 Ų022.2 Ų22.20%014%0.141CC..THydrogen-bonded Turntrans-103.76.3179.600000114.1L45 L64 R65L45-G47 PolarHBondContact O-N 2.8Å; G47-L64 VanDerWaalsContact O-CB 3.26Å; G47-L64 WeakPolarHBondContact O-CB 3.49Å; G47-L64 WeakPolarHBondContact O-CG 3.45Å; G47-L64 PolarHBondContact O-N 3.21Å; G47-R65 VanDerWaalsContact N-NH1 3.19Å
48D89.3Confident90.3Very high7 Ų719.3 Ų19.34%0.03712%0.124CC..EExtended strand (participates in β ladder)trans-100.5127.3178.5-62.1-69.7000110.5C44 L45 F50 N63 R119C44-D48 VanDerWaalsContact CA-O 3.29Å; C44-D48 WeakPolarHBondContact CA-O 3.26Å; L45-D48 PolarHBondContact N-O 3.43Å; L45-D48 PolarHBondContact O-N 3.19Å; D48-F50 HydrophobicContact CB-CE2 3.62Å; D48-F50 HydrophobicContact CB-CZ 4.02Å; D48-F50 WeakPolarHBondContact O-CD2 3.41Å; D48-F50 WeakPolarHBondContact O-CE2 3.5Å; D48-N63 WeakPolarHBondContact OD1-CA 3.44Å; D48-N63 VanDerWaalsContact OD1-CB 3.31Å; D48-N63 WeakPolarHBondContact OD1-CB 3.37Å; D48-N63 PolarHBondContact OD1-ND2 3.38Å; D48-R119 IonicContact OD1-NH1 2.84Å; D48-R119 IonicContact OD2-CZ 3.88Å; D48-R119 IonicContact OD2-NH1 3.08Å; D48-R119 PolarHBondContact OD2-NH1 2.92Å; D48-R119 IonicContact OD2-NH2 2.68Å; D48-R119 PolarHBondContact OD2-NH2 3.38Å
49F92.5Very high90.8Very high0 Ų018.8 Ų18.80%012%0.119CC..EExtended strand (participates in β ladder)trans-96.4135.9177.5170.3-99.3000109.7L13 F19 T42 L51 T61 T62 L64 L443 I455 I457L13-F49 HydrophobicContact CD1-CD1 4.25Å; F19-F49 AromaticContact CZ-CE1 3.99Å; F19-F49 HydrophobicContact CZ-CE1 3.99Å; F19-F49 HydrophobicContact CZ-CZ 4.03Å; T42-F49 HydrophobicContact CG2-CE2 3.94Å; T42-F49 HydrophobicContact CG2-CZ 3.82Å; F49-L51 HydrophobicContact CE1-CB 3.84Å; F49-L51 HydrophobicContact CZ-CB 4.04Å; F49-T61 VanDerWaalsContact O-CA 3.22Å; F49-T61 WeakPolarHBondContact O-CA 3.39Å; F49-T61 PolarHBondContact O-OG1 3.17Å; F49-T62 HydrophobicContact CB-CG2 4.35Å; F49-T62 HydrophobicContact CD1-CG2 4.19Å; F49-T62 PolarHBondContact N-O 3.06Å; F49-T62 PolarHBondContact O-N 2.95Å; F49-T62 VanDerWaalsContact O-N 3.1Å; F49-L64 HydrophobicContact CB-CD1 4.07Å; F49-L64 HydrophobicContact CB-CD2 3.81Å; F49-L64 HydrophobicContact CB-CG 3.9Å; F49-L443 HydrophobicContact CD2-CD2 4.04Å; F49-L443 HydrophobicContact CE2-CD2 3.95Å; F49-I455 HydrophobicContact CE2-CG2 4.42Å; F49-I457 HydrophobicContact CE2-CD1 4.15Å; F49-I457 HydrophobicContact CZ-CD1 3.69Å
50F94.2Very high91.1Very high0 Ų018.4 Ų18.40%012%0.117CC..EExtended strand (participates in β ladder)trans-124134178.9-62.2-100000110.6T42 F43 L45 D48 F59 Y60 T61 L81 L116 F126T42-F50 VanDerWaalsContact CA-O 3.27Å; T42-F50 WeakPolarHBondContact CA-O 3.45Å; T42-F50 WeakPolarHBondContact CB-O 3.44Å; F43-F50 HydrophobicContact CD1-CB 3.82Å; F43-F50 HydrophobicContact CD1-CG 4.45Å; F43-F50 HydrophobicContact CD2-CB 4.38Å; F43-F50 AromaticContact CD2-CD2 3.88Å; F43-F50 HydrophobicContact CD2-CD2 3.88Å; F43-F50 HydrophobicContact CD2-CG 4.31Å; F43-F50 HydrophobicContact CE1-CB 3.39Å; F43-F50 HydrophobicContact CE1-CD1 4.3Å; F43-F50 HydrophobicContact CE1-CD2 4.31Å; F43-F50 AromaticContact CE1-CG 3.77Å; F43-F50 HydrophobicContact CE1-CG 3.77Å; F43-F50 HydrophobicContact CE2-CB 4Å; F43-F50 HydrophobicContact CE2-CD1 4.24Å; F43-F50 AromaticContact CE2-CD2 3.31Å; F43-F50 HydrophobicContact CE2-CD2 3.31Å; F43-F50 AromaticContact CE2-CE2 3.78Å; F43-F50 HydrophobicContact CE2-CE2 3.78Å; F43-F50 AromaticContact CE2-CG 3.59Å; F43-F50 HydrophobicContact CE2-CG 3.59Å; F43-F50 HydrophobicContact CE2-CZ 4.39Å; F43-F50 HydrophobicContact CG-CB 4.28Å; F43-F50 HydrophobicContact CZ-CB 3.48Å; F43-F50 VanDerWaalsContact CZ-CB 3.48Å; F43-F50 AromaticContact CZ-CD1 3.65Å; F43-F50 HydrophobicContact CZ-CD1 3.65Å; F43-F50 AromaticContact CZ-CD2 3.56Å; F43-F50 HydrophobicContact CZ-CD2 3.56Å; F43-F50 HydrophobicContact CZ-CE1 4.26Å; F43-F50 HydrophobicContact CZ-CE2 4.19Å; F43-F50 AromaticContact CZ-CG 3.26Å; F43-F50 HydrophobicContact CZ-CG 3.26Å; F43-F50 HydrophobicContact CZ-CZ 4.5Å; F43-F50 PolarHBondContact N-O 3.28Å; F43-F50 PolarHBondContact O-N 2.73Å; L45-F50 HydrophobicContact CB-CE2 3.93Å; D48-F50 HydrophobicContact CB-CE2 3.62Å; D48-F50 HydrophobicContact CB-CZ 4.02Å; D48-F50 WeakPolarHBondContact O-CD2 3.41Å; D48-F50 WeakPolarHBondContact O-CE2 3.5Å; F50-F59 HydrophobicContact CB-CD1 4.32Å; F50-Y60 WeakPolarHBondContact CA-O 3.44Å; F50-T61 HydrophobicContact CE1-CG2 4.18Å; F50-T61 VanDerWaalsContact CE1-OG1 3.26Å; F50-T61 WeakPolarHBondContact CE1-OG1 3.47Å; F50-T61 WeakPolarHBondContact CZ-OG1 3.42Å; F50-L81 HydrophobicContact CD1-CD1 4.24Å; F50-L81 HydrophobicContact CE1-CD1 3.86Å; F50-L116 HydrophobicContact CE1-CD2 4.3Å; F50-F126 AromaticContact CE1-CE2 3.96Å; F50-F126 HydrophobicContact CE1-CE2 3.96Å; F50-F126 HydrophobicContact CE1-CZ 4.22Å; F50-F126 AromaticContact CZ-CE2 3.57Å; F50-F126 HydrophobicContact CZ-CE2 3.57Å; F50-F126 AromaticContact CZ-CZ 3.63Å; F50-F126 HydrophobicContact CZ-CZ 3.63Å
51L95Very high91.1Very high1 Ų117.6 Ų17.61%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-128.5125.7174.9177.764000110.2I18 F19 I22 T42 F49 F59 Y60 I457 Y461I18-L51 HydrophobicContact CG2-CB 4.49Å; I18-L51 HydrophobicContact CG2-CD2 3.66Å; F19-L51 HydrophobicContact CD1-CD2 4.18Å; F19-L51 HydrophobicContact CE1-CD2 3.85Å; I22-L51 HydrophobicContact CD1-CD2 3.33Å; I22-L51 HydrophobicContact CD1-CG 4.05Å; T42-L51 HydrophobicContact CG2-CB 4.27Å; T42-L51 HydrophobicContact CG2-CD1 3.35Å; T42-L51 HydrophobicContact CG2-CG 4.4Å; F49-L51 HydrophobicContact CE1-CB 3.84Å; F49-L51 HydrophobicContact CZ-CB 4.04Å; L51-F59 WeakPolarHBondContact O-CA 3.21Å; L51-Y60 PolarHBondContact N-O 3.47Å; L51-Y60 PolarHBondContact O-N 3.16Å; L51-I457 HydrophobicContact CD1-CD1 4.28Å; L51-Y461 HydrophobicContact CD1-CE1 4.27Å; L51-Y461 HydrophobicContact CD2-CD1 4.31Å; L51-Y461 HydrophobicContact CD2-CE1 4.47Å
52W94.5Very high91Very high0 Ų017.9 Ų17.90%012%0.115CC..EExtended strand (participates in β ladder)trans-81.8134.1174.5177.2-102.1000111.4L41 D54 C57 F59 P87 V91 L94 L105L41-W52 HydrophobicContact CB-CB 4.3Å; L41-W52 PolarHBondContact O-N 2.88Å; W52-D54 VanDerWaalsContact CD1-OD1 3.22Å; W52-D54 PolarHBondContact NE1-OD1 3.01Å; W52-C57 HydrophobicContact CH2-CB 3.98Å; W52-C57 WeakPolarHBondContact CH2-O 3.39Å; W52-C57 HydrophobicContact CZ2-CB 4.1Å; W52-F59 HydrophobicContact CB-CD1 4.08Å; W52-F59 HydrophobicContact CB-CE1 3.69Å; W52-F59 HydrophobicContact CB-CZ 4.37Å; W52-F59 HydrophobicContact CD2-CE1 4.45Å; W52-F59 HydrophobicContact CD2-CZ 4.41Å; W52-F59 HydrophobicContact CE3-CD1 4.02Å; W52-F59 AromaticContact CE3-CD2 3.72Å; W52-F59 HydrophobicContact CE3-CD2 3.72Å; W52-F59 AromaticContact CE3-CE1 3.86Å; W52-F59 HydrophobicContact CE3-CE1 3.86Å; W52-F59 AromaticContact CE3-CE2 3.56Å; W52-F59 HydrophobicContact CE3-CE2 3.56Å; W52-F59 AromaticContact CE3-CG 3.96Å; W52-F59 HydrophobicContact CE3-CG 3.96Å; W52-F59 AromaticContact CE3-CZ 3.64Å; W52-F59 HydrophobicContact CE3-CZ 3.64Å; W52-F59 HydrophobicContact CG-CE1 4.44Å; W52-F59 AromaticContact CZ3-CD2 3.95Å; W52-F59 HydrophobicContact CZ3-CD2 3.95Å; W52-F59 AromaticContact CZ3-CE2 3.85Å; W52-F59 HydrophobicContact CZ3-CE2 3.85Å; W52-F59 HydrophobicContact CZ3-CZ 4.35Å; W52-P87 HydrophobicContact CH2-CG 3.79Å; W52-P87 HydrophobicContact CZ2-CG 3.68Å; W52-V91 HydrophobicContact CZ2-CG2 3.76Å; W52-L94 HydrophobicContact CB-CD1 4.03Å; W52-L105 HydrophobicContact CD2-CD2 4.31Å; W52-L105 HydrophobicContact CE3-CD2 3.96Å; W52-L105 HydrophobicContact CH2-CD1 4.14Å; W52-L105 HydrophobicContact CH2-CD2 4.48Å; W52-L105 HydrophobicContact CZ3-CD1 4.18Å; W52-L105 HydrophobicContact CZ3-CD2 4.06Å
53N91.9Very high90.7Very high5 Ų518.5 Ų18.53%0.02712%0.118CC..EExtended strand (participates in β ladder)trans-109.3110.7170.5-178.515.3000110.4S55 E56 C57 V58 Y60N53-S55 VanDerWaalsContact C-N 3.29Å; N53-S55 VanDerWaalsContact CG-OG 3.23Å; N53-S55 PolarHBondContact ND2-OG 3.24Å; N53-S55 PolarHBondContact O-N 3.35Å; N53-S55 PolarHBondContact OD1-N 2.8Å; N53-S55 PolarHBondContact OD1-OG 3.47Å; N53-E56 PolarHBondContact ND2-OE2 3.48Å; N53-C57 WeakPolarHBondContact O-CA 3.25Å; N53-C57 PolarHBondContact O-N 3.4Å; N53-V58 HydrophobicContact CB-CG2 4.32Å; N53-V58 PolarHBondContact N-O 3.12Å; N53-V58 PolarHBondContact O-N 2.88Å; N53-Y60 HydrophobicContact CB-CD2 4.2Å; N53-Y60 HydrophobicContact CB-CE2 3.79Å
54D86.9Confident90.4Very high41 Ų4117.8 Ų17.822%0.21912%0.115CC..THydrogen-bonded Turntrans-61.3-34.4178.7-83.4-27.4000112.4K39 W52 E56 V91K39-D54 IonicContact NZ-OD2 3.04Å; K39-D54 PolarHBondContact NZ-OD2 2.76Å; W52-D54 VanDerWaalsContact CD1-OD1 3.22Å; W52-D54 PolarHBondContact NE1-OD1 3.01Å; D54-E56 PolarHBondContact O-N 3.37Å; D54-V91 PolarHBondContact OD1-N 3.47Å
55S85.9Confident90Very high86 Ų8621 Ų2160%0.60112%0.124SC*.THydrogen-bonded Turntrans-70.3-32.7-174.660.10000114N53N53-S55 VanDerWaalsContact C-N 3.29Å; N53-S55 VanDerWaalsContact CG-OG 3.23Å; N53-S55 PolarHBondContact ND2-OG 3.24Å; N53-S55 PolarHBondContact O-N 3.35Å; N53-S55 PolarHBondContact OD1-N 2.8Å; N53-S55 PolarHBondContact OD1-OG 3.47Å
56E87.7Confident89.7Confident71 Ų7121.3 Ų21.333%0.33212%0.124SC..THydrogen-bonded Turntrans-109-7.1-177.8-71.7176136.600112.8R25 N53 D54 V58 Y60R25-E56 IonicContact CZ-OE1 3.2Å; R25-E56 VanDerWaalsContact NH1-CD 3.28Å; R25-E56 IonicContact NH1-OE1 2.75Å; R25-E56 PolarHBondContact NH1-OE1 2.96Å; R25-E56 IonicContact NH1-OE2 2.69Å; N53-E56 PolarHBondContact ND2-OE2 3.48Å; D54-E56 PolarHBondContact O-N 3.37Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 HydrophobicContact CB-CG1 4.27Å; E56-V58 HydrophobicContact CB-CG2 3.81Å; E56-V58 WeakPolarHBondContact O-CG1 3.2Å; E56-V58 PolarHBondContact O-N 3.24Å; E56-Y60 PolarHBondContact OE2-OH 3.02Å
57C91.1Very high89.4Confident34 Ų3419.4 Ų19.423%0.2310%0.103CC..THydrogen-bonded Turntrans53.843.8-172.7-63.60000113.3W52 N53 P86W52-C57 HydrophobicContact CH2-CB 3.98Å; W52-C57 WeakPolarHBondContact CH2-O 3.39Å; W52-C57 HydrophobicContact CZ2-CB 4.1Å; N53-C57 WeakPolarHBondContact O-CA 3.25Å; N53-C57 PolarHBondContact O-N 3.4Å; C57-P86 HydrophobicContact CB-CB 3.8Å
58V93.8Very high89Confident9 Ų920.8 Ų20.86%0.05511%0.11CC..EExtended strand (participates in β ladder)trans-128.4156.5-179.6-59.20000112.2N53 E56 Y60 T80 L81 Q82N53-V58 HydrophobicContact CB-CG2 4.32Å; N53-V58 PolarHBondContact N-O 3.12Å; N53-V58 PolarHBondContact O-N 2.88Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 HydrophobicContact CB-CG1 4.27Å; E56-V58 HydrophobicContact CB-CG2 3.81Å; E56-V58 WeakPolarHBondContact O-CG1 3.2Å; E56-V58 PolarHBondContact O-N 3.24Å; V58-Y60 HydrophobicContact CG2-CE1 4.34Å; V58-Y60 HydrophobicContact CG2-CE2 4.12Å; V58-T80 HydrophobicContact CB-CG2 3.82Å; V58-T80 HydrophobicContact CG1-CG2 4.07Å; V58-T80 HydrophobicContact CG2-CG2 3.9Å; V58-L81 WeakPolarHBondContact CA-O 3.24Å; V58-L81 WeakPolarHBondContact CB-O 3.48Å; V58-Q82 HydrophobicContact CG1-CG 4.04Å
59F94.4Very high88.2Confident1 Ų122.9 Ų22.90%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-95.5135.3164-77.1-75000111.5F43 F50 L51 W52 T80 L81 L94 V103 L105 L114F43-F59 HydrophobicContact CD1-CE1 4.47Å; F43-F59 HydrophobicContact CE1-CD1 4.32Å; F43-F59 AromaticContact CE1-CE1 3.77Å; F43-F59 HydrophobicContact CE1-CE1 3.77Å; F43-F59 HydrophobicContact CE1-CZ 4.09Å; F50-F59 HydrophobicContact CB-CD1 4.32Å; L51-F59 WeakPolarHBondContact O-CA 3.21Å; W52-F59 HydrophobicContact CB-CD1 4.08Å; W52-F59 HydrophobicContact CB-CE1 3.69Å; W52-F59 HydrophobicContact CB-CZ 4.37Å; W52-F59 HydrophobicContact CD2-CE1 4.45Å; W52-F59 HydrophobicContact CD2-CZ 4.41Å; W52-F59 HydrophobicContact CE3-CD1 4.02Å; W52-F59 AromaticContact CE3-CD2 3.72Å; W52-F59 HydrophobicContact CE3-CD2 3.72Å; W52-F59 AromaticContact CE3-CE1 3.86Å; W52-F59 HydrophobicContact CE3-CE1 3.86Å; W52-F59 AromaticContact CE3-CE2 3.56Å; W52-F59 HydrophobicContact CE3-CE2 3.56Å; W52-F59 AromaticContact CE3-CG 3.96Å; W52-F59 HydrophobicContact CE3-CG 3.96Å; W52-F59 AromaticContact CE3-CZ 3.64Å; W52-F59 HydrophobicContact CE3-CZ 3.64Å; W52-F59 HydrophobicContact CG-CE1 4.44Å; W52-F59 AromaticContact CZ3-CD2 3.95Å; W52-F59 HydrophobicContact CZ3-CD2 3.95Å; W52-F59 AromaticContact CZ3-CE2 3.85Å; W52-F59 HydrophobicContact CZ3-CE2 3.85Å; W52-F59 HydrophobicContact CZ3-CZ 4.35Å; F59-T80 CarbonylContact O-C 3.53Å; F59-T80 WeakPolarHBondContact O-CA 3.49Å; F59-L81 HydrophobicContact CB-CB 4.01Å; F59-L81 HydrophobicContact CB-CD1 4.36Å; F59-L81 HydrophobicContact CB-CG 4.29Å; F59-L81 PolarHBondContact N-O 2.77Å; F59-L81 PolarHBondContact O-N 3.15Å; F59-L94 HydrophobicContact CE1-CD1 3.52Å; F59-L94 HydrophobicContact CE1-CD2 4.21Å; F59-L94 HydrophobicContact CZ-CD1 3.97Å; F59-L94 HydrophobicContact CZ-CD2 3.83Å; F59-V103 HydrophobicContact CZ-CG1 4.28Å; F59-L105 HydrophobicContact CE2-CD2 3.61Å; F59-L105 HydrophobicContact CZ-CD2 3.42Å; F59-L105 VanDerWaalsContact CZ-CD2 3.42Å; F59-L114 HydrophobicContact CD2-CD1 3.88Å; F59-L114 HydrophobicContact CE2-CD1 3.94Å
60Y93.8Very high86.5Confident1 Ų126.7 Ų26.70%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-96129.6162.3-66.7-61.1000109.7I18 K21 I22 F50 L51 N53 E56 V58 Y78 T80I18-Y60 HydrophobicContact CG1-CG 4.36Å; I18-Y60 HydrophobicContact CG2-CD2 4.03Å; I18-Y60 HydrophobicContact CG2-CG 3.99Å; K21-Y60 HydrophobicContact CD-CE1 4.37Å; K21-Y60 WeakPolarHBondContact CD-OH 3.35Å; K21-Y60 WeakPolarHBondContact CE-OH 3.42Å; K21-Y60 PolarHBondContact NZ-OH 3.49Å; I22-Y60 HydrophobicContact CD1-CD2 4.22Å; I22-Y60 HydrophobicContact CD1-CE2 4.43Å; I22-Y60 HydrophobicContact CG1-CE2 4.29Å; F50-Y60 WeakPolarHBondContact CA-O 3.44Å; L51-Y60 PolarHBondContact N-O 3.47Å; L51-Y60 PolarHBondContact O-N 3.16Å; N53-Y60 HydrophobicContact CB-CD2 4.2Å; N53-Y60 HydrophobicContact CB-CE2 3.79Å; E56-Y60 PolarHBondContact OE2-OH 3.02Å; V58-Y60 HydrophobicContact CG2-CE1 4.34Å; V58-Y60 HydrophobicContact CG2-CE2 4.12Å; Y60-Y78 AromaticContact CD1-CD2 3.6Å; Y60-Y78 HydrophobicContact CD1-CD2 3.6Å; Y60-Y78 AromaticContact CD1-CE2 3.58Å; Y60-Y78 HydrophobicContact CD1-CE2 3.58Å; Y60-Y78 HydrophobicContact CE1-CD2 4.12Å; Y60-Y78 AromaticContact CE1-CE2 3.6Å; Y60-Y78 HydrophobicContact CE1-CE2 3.6Å; Y60-T80 HydrophobicContact CD1-CG2 4.46Å; Y60-T80 HydrophobicContact CE1-CG2 4.12Å
61T92.4Very high84.9Confident2 Ų232.6 Ų32.61%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-126.8139.2177.1-173.80000112.2F49 F50 Y78 Q79 L81 F126F49-T61 VanDerWaalsContact O-CA 3.22Å; F49-T61 WeakPolarHBondContact O-CA 3.39Å; F49-T61 PolarHBondContact O-OG1 3.17Å; F50-T61 HydrophobicContact CE1-CG2 4.18Å; F50-T61 VanDerWaalsContact CE1-OG1 3.26Å; F50-T61 WeakPolarHBondContact CE1-OG1 3.47Å; F50-T61 WeakPolarHBondContact CZ-OG1 3.42Å; T61-Y78 CarbonylContact O-C 3.52Å; T61-Y78 WeakPolarHBondContact O-CA 3.29Å; T61-Y78 VanDerWaalsContact O-CB 3.28Å; T61-Y78 WeakPolarHBondContact O-CB 3.32Å; T61-Q79 HydrophobicContact CG2-CB 3.7Å; T61-Q79 PolarHBondContact N-O 3.31Å; T61-Q79 PolarHBondContact O-N 3.29Å; T61-L81 HydrophobicContact CG2-CD2 4.38Å; T61-L81 HydrophobicContact CG2-CG 4.32Å; T61-F126 HydrophobicContact CG2-CD2 4.22Å; T61-F126 HydrophobicContact CG2-CE2 4.4Å
62T90.5Very high82.8Confident8 Ų837.9 Ų37.95%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-140.4147.4174.1-172.30000110.2L13 H16 I18 F49 L67 K77L13-T62 HydrophobicContact CD1-CG2 4.16Å; H16-T62 PolarHBondContact NE2-OG1 3Å; I18-T62 HydrophobicContact CD1-CG2 3.99Å; F49-T62 HydrophobicContact CB-CG2 4.35Å; F49-T62 HydrophobicContact CD1-CG2 4.19Å; F49-T62 PolarHBondContact N-O 3.06Å; F49-T62 PolarHBondContact O-N 2.95Å; F49-T62 VanDerWaalsContact O-N 3.1Å; T62-L67 HydrophobicContact CG2-CD1 4.45Å; T62-K77 PolarHBondContact OG1-O 3.37Å; T62-K77 VanDerWaalsContact OG1-O 3.13Å
63N88.4Confident80.7Confident14 Ų1446.5 Ų46.58%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-90.2111.9179.3-170.8-77.8000110.4D48 R65 Q66 L67D48-N63 WeakPolarHBondContact OD1-CA 3.44Å; D48-N63 VanDerWaalsContact OD1-CB 3.31Å; D48-N63 WeakPolarHBondContact OD1-CB 3.37Å; D48-N63 PolarHBondContact OD1-ND2 3.38Å; N63-R65 VanDerWaalsContact C-N 3.29Å; N63-R65 PolarHBondContact O-N 3.48Å; N63-R65 WeakPolarHBondContact OD1-CA 3.46Å; N63-R65 VanDerWaalsContact OD1-CB 3.3Å; N63-R65 WeakPolarHBondContact OD1-CB 3.35Å; N63-R65 PolarHBondContact OD1-N 2.87Å; N63-Q66 HydrophobicContact CB-CB 4.2Å; N63-Q66 HydrophobicContact CB-CG 3.85Å; N63-Q66 WeakPolarHBondContact O-CB 3.34Å; N63-Q66 PolarHBondContact O-N 2.89Å; N63-Q66 PolarHBondContact OD1-N 3.1Å; N63-L67 PolarHBondContact O-N 3.46Å
64L87.3Confident78.9Confident0 Ų046.7 Ų46.70%026%0.264CS..Hα-helixtrans-64.6-31.3-178.6-59179.6000112.7W9 L13 G47 F49 Q66 L67 N68 V445 L450 I455W9-L64 HydrophobicContact CE3-CB 4.28Å; W9-L64 HydrophobicContact CE3-CD1 4.42Å; W9-L64 HydrophobicContact CE3-CD2 4.26Å; W9-L64 HydrophobicContact CZ3-CD1 3.96Å; W9-L64 HydrophobicContact CZ3-CD2 4.45Å; L13-L64 HydrophobicContact CD1-CD2 3.81Å; L13-L64 HydrophobicContact CD2-CD2 3.76Å; L13-L64 HydrophobicContact CG-CD2 4.28Å; G47-L64 VanDerWaalsContact O-CB 3.26Å; G47-L64 WeakPolarHBondContact O-CB 3.49Å; G47-L64 WeakPolarHBondContact O-CG 3.45Å; G47-L64 PolarHBondContact O-N 3.21Å; F49-L64 HydrophobicContact CB-CD1 4.07Å; F49-L64 HydrophobicContact CB-CD2 3.81Å; F49-L64 HydrophobicContact CB-CG 3.9Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.48Å; L64-L67 HydrophobicContact CD2-CD1 4.12Å; L64-L67 PolarHBondContact O-N 2.69Å; L64-N68 PolarHBondContact O-N 3.39Å; L64-V445 HydrophobicContact CD1-CG1 4.38Å; L64-V445 HydrophobicContact CD1-CG2 4.14Å; L64-L450 HydrophobicContact CB-CD1 3.51Å; L64-L450 HydrophobicContact CD1-CD1 4.23Å; L64-I455 HydrophobicContact CD1-CD1 4.42Å
65R84.5Confident77.3Confident92 Ų9248.1 Ų48.135%0.34728%0.277SS..Hα-helixtrans-68-34.2176.6-61.1-176.8-76.2-109.3-2.4111.9G47 N63 N68 S69 D447 S449 L450G47-R65 VanDerWaalsContact N-NH1 3.19Å; N63-R65 VanDerWaalsContact C-N 3.29Å; N63-R65 PolarHBondContact O-N 3.48Å; N63-R65 WeakPolarHBondContact OD1-CA 3.46Å; N63-R65 VanDerWaalsContact OD1-CB 3.3Å; N63-R65 WeakPolarHBondContact OD1-CB 3.35Å; N63-R65 PolarHBondContact OD1-N 2.87Å; R65-N68 PolarHBondContact O-N 3.28Å; R65-S69 PolarHBondContact O-N 3.42Å; R65-D447 IonicContact CZ-OD2 3.2Å; R65-D447 IonicContact NH1-OD2 3.17Å; R65-D447 PolarHBondContact NH1-OD2 2.67Å; R65-S449 WeakPolarHBondContact CG-OG 3.32Å; R65-L450 HydrophobicContact CG-CD1 4.11Å; R65-L450 HydrophobicContact CG-CD2 4.4Å; R65-L450 HydrophobicContact CG-CG 4.22Å
66Q80.7Confident76.3Confident28 Ų2844.9 Ų44.913%0.13126%0.257CS..Hα-helixtrans-67.7-38174.3-66-174.515.600111.9N63 L64 N68 S69 E125N63-Q66 HydrophobicContact CB-CB 4.2Å; N63-Q66 HydrophobicContact CB-CG 3.85Å; N63-Q66 WeakPolarHBondContact O-CB 3.34Å; N63-Q66 PolarHBondContact O-N 2.89Å; N63-Q66 PolarHBondContact OD1-N 3.1Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.48Å; Q66-N68 PolarHBondContact O-N 3.18Å; Q66-S69 WeakPolarHBondContact O-CB 3.41Å; Q66-S69 PolarHBondContact O-N 3.35Å; Q66-S69 PolarHBondContact O-OG 2.9Å; Q66-E125 PolarHBondContact NE2-OE1 2.89Å
67L78.8Confident75.9Confident7 Ų747.6 Ų47.64%0.03727%0.268CS..Hα-helixtrans-62.7-24.4174.8-63.1177000112.7W9 L13 T62 N63 L64W9-L67 HydrophobicContact CB-CB 3.91Å; L13-L67 HydrophobicContact CB-CD1 4.32Å; L13-L67 HydrophobicContact CD1-CD1 4.2Å; T62-L67 HydrophobicContact CG2-CD1 4.45Å; N63-L67 PolarHBondContact O-N 3.46Å; L64-L67 HydrophobicContact CD2-CD1 4.12Å; L64-L67 PolarHBondContact O-N 2.69Å
68N75.5Confident75.8Confident29 Ų2949.3 Ų49.316%0.15527%0.27CS..THydrogen-bonded Turntrans-86.1-8176.6-151.729.2000113.6G5 W9 L64 R65 Q66 L450G5-N68 PolarHBondContact O-OD1 3.34Å; G5-N68 VanDerWaalsContact O-OD1 3.07Å; W9-N68 HydrophobicContact CB-CB 4.15Å; W9-N68 HydrophobicContact CG-CB 4.36Å; L64-N68 PolarHBondContact O-N 3.39Å; R65-N68 PolarHBondContact O-N 3.28Å; Q66-N68 PolarHBondContact O-N 3.18Å; N68-L450 HydrophobicContact CB-CD2 4.09Å
69S71.4Confident75.6Confident51 Ų5149.9 Ų49.936%0.35727%0.272SS..SBendtrans-82.5150.4-177.976.50000112.5R65 Q66 E71R65-S69 PolarHBondContact O-N 3.42Å; Q66-S69 WeakPolarHBondContact O-CB 3.41Å; Q66-S69 PolarHBondContact O-N 3.35Å; Q66-S69 PolarHBondContact O-OG 2.9Å; S69-E71 PolarHBondContact O-N 2.9Å
70A58.2Low75.6Confident80 Ų8050.4 Ų50.466%0.66128%0.275SS*.SBendtrans-75.5-5.6-176.200000114.6S72A70-S72 PolarHBondContact O-N 3.19Å
71E59.5Low75.7Confident124 Ų12450.4 Ų50.458%0.57928%0.275SS*.  trans-78.897.6178.6-68.6-174.8176.900109.8S69 E73 R123S69-E71 PolarHBondContact O-N 2.9Å; E71-E73 PolarHBondContact O-N 3.43Å; E71-R123 IonicContact OE2-NH2 3.92Å; E71-R123 PolarHBondContact OE2-NH2 3.44Å
72S50.5Low75.7Confident113 Ų11353.5 Ų53.579%0.7929%0.29SS*.THydrogen-bonded Turntrans-693-170.947.70000116.2A70A70-S72 PolarHBondContact O-N 3.19Å
73E51.3Low75.9Confident181 Ų18153.8 Ų53.885%0.84629%0.292SS*.THydrogen-bonded Turntrans-88.9-5.1-178.4-69.4-171.9167.700114.6E71E71-E73 PolarHBondContact O-N 3.43Å
74S53.3Low76.1Confident8 Ų857.8 Ų57.86%0.05631%0.312CS..  trans-115.51.6-179.2520000115.6G76 K77S74-G76 PolarHBondContact O-N 3.36Å; S74-K77 PolarHBondContact O-N 3.29Å; S74-K77 VanDerWaalsContact O-N 3.13Å
75S54.9Low76.2Confident72 Ų7262 Ų6250%0.50334%0.335SS..THydrogen-bonded Turntrans-6597.9175.8-174.40000109.1D12D12-S75 PolarHBondContact OD2-OG 3.48Å
76G63.2Low76.4Confident17 Ų1760.9 Ų60.918%0.17534%0.339CS..THydrogen-bonded Turntrans118.4-2.4-178.200000116.6H16 T17 S74H16-G76 VanDerWaalsContact NE2-CA 3.34Å; H16-G76 WeakPolarHBondContact NE2-CA 3.49Å; T17-G76 PolarHBondContact OG1-O 2.73Å; S74-G76 PolarHBondContact O-N 3.36Å
77K79.5Confident76.9Confident128 Ų12860 Ų6056%0.55734%0.336SS*.  trans-72.8135173.8-70.5-172.5-177-176.20110.4T62 S74T62-K77 PolarHBondContact OG1-O 3.37Å; T62-K77 VanDerWaalsContact OG1-O 3.13Å; S74-K77 PolarHBondContact O-N 3.29Å; S74-K77 VanDerWaalsContact O-N 3.13Å
78Y89Confident77.4Confident71 Ų7166.8 Ų66.828%0.27837%0.372SS..  trans-140.6155.2174.163.3-87.5000109.9T17 I18 Y60 T61T17-Y78 WeakPolarHBondContact OG1-CD1 3.39Å; I18-Y78 HydrophobicContact CD1-CG 4.38Å; I18-Y78 HydrophobicContact CG1-CD1 4.14Å; I18-Y78 HydrophobicContact CG1-CD2 4.47Å; I18-Y78 HydrophobicContact CG1-CG 3.93Å; Y60-Y78 AromaticContact CD1-CD2 3.6Å; Y60-Y78 HydrophobicContact CD1-CD2 3.6Å; Y60-Y78 AromaticContact CD1-CE2 3.58Å; Y60-Y78 HydrophobicContact CD1-CE2 3.58Å; Y60-Y78 HydrophobicContact CE1-CD2 4.12Å; Y60-Y78 AromaticContact CE1-CE2 3.6Å; Y60-Y78 HydrophobicContact CE1-CE2 3.6Å; T61-Y78 CarbonylContact O-C 3.52Å; T61-Y78 WeakPolarHBondContact O-CA 3.29Å; T61-Y78 VanDerWaalsContact O-CB 3.28Å; T61-Y78 WeakPolarHBondContact O-CB 3.32Å
79Q91.3Very high78.2Confident21 Ų2166.7 Ų66.710%0.09837%0.37CS..EExtended strand (participates in β ladder)trans-104.7148.6168.2-51.9-179.8-86.100108.8T61 F126 R130 E131T61-Q79 HydrophobicContact CG2-CB 3.7Å; T61-Q79 PolarHBondContact N-O 3.31Å; T61-Q79 PolarHBondContact O-N 3.29Å; Q79-F126 PolarHBondContact NE2-O 2.89Å; Q79-R130 PolarHBondContact NE2-O 2.82Å; Q79-E131 CarbonylContact C-O 3.54Å; Q79-E131 WeakPolarHBondContact CA-O 3.23Å
80T94.2Very high79.1Confident12 Ų1269 Ų697%0.07438%0.375CS..EExtended strand (participates in β ladder)trans-108.6117.3176.2-51.70000108.6V58 F59 Y60 Q82 E131 K132 I133V58-T80 HydrophobicContact CB-CG2 3.82Å; V58-T80 HydrophobicContact CG1-CG2 4.07Å; V58-T80 HydrophobicContact CG2-CG2 3.9Å; F59-T80 CarbonylContact O-C 3.53Å; F59-T80 WeakPolarHBondContact O-CA 3.49Å; Y60-T80 HydrophobicContact CD1-CG2 4.46Å; Y60-T80 HydrophobicContact CE1-CG2 4.12Å; T80-Q82 HydrophobicContact CG2-CG 4.24Å; T80-E131 PolarHBondContact N-O 3.08Å; T80-K132 WeakPolarHBondContact O-CA 3.45Å; T80-I133 PolarHBondContact O-N 3.06Å
81L94.4Very high80.8Confident0 Ų065.1 Ų65.10%034%0.343CS..EExtended strand (participates in β ladder)trans-94.1117.2173.1-44.2-177.4000109.1F50 V58 F59 T61 L116 P117 I133F50-L81 HydrophobicContact CD1-CD1 4.24Å; F50-L81 HydrophobicContact CE1-CD1 3.86Å; V58-L81 WeakPolarHBondContact CA-O 3.24Å; V58-L81 WeakPolarHBondContact CB-O 3.48Å; F59-L81 HydrophobicContact CB-CB 4.01Å; F59-L81 HydrophobicContact CB-CD1 4.36Å; F59-L81 HydrophobicContact CB-CG 4.29Å; F59-L81 PolarHBondContact N-O 2.77Å; F59-L81 PolarHBondContact O-N 3.15Å; T61-L81 HydrophobicContact CG2-CD2 4.38Å; T61-L81 HydrophobicContact CG2-CG 4.32Å; L81-L116 HydrophobicContact CD1-CD2 4.45Å; L81-P117 HydrophobicContact CD1-CG 4.42Å; L81-P117 HydrophobicContact CD2-CG 4Å; L81-I133 CarbonylContact C-O 3.51Å; L81-I133 WeakPolarHBondContact CA-O 3.33Å; L81-I133 HydrophobicContact CD2-CB 3.78Å; L81-I133 HydrophobicContact CD2-CD1 3.86Å; L81-I133 HydrophobicContact CD2-CG1 4.34Å; L81-I133 HydrophobicContact CD2-CG2 4.21Å
82Q94.3Very high82.4Confident67 Ų6760.4 Ų60.431%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-99.1129.1-178.3-58.7-169.3-5600109.8V58 T80 I84 I133 C135V58-Q82 HydrophobicContact CG1-CG 4.04Å; T80-Q82 HydrophobicContact CG2-CG 4.24Å; Q82-I84 PolarHBondContact O-N 3.21Å; Q82-I133 PolarHBondContact N-O 3.43Å; Q82-C135 PolarHBondContact O-N 2.88Å
83C93.3Very high84.4Confident15 Ų1557.4 Ų57.410%0.10130%0.297CS..EExtended strand (participates in β ladder)trans-71.9123.3174.3-640000109.8N85 P86 T137C83-N85 VanDerWaalsContact C-N 3.31Å; C83-N85 PolarHBondContact O-N 2.72Å; C83-P86 HydrophobicContact CB-CB 4.31Å; C83-T137 HydrophobicContact CB-CG2 3.7Å
84I92.1Very high86.6Confident97 Ų9749 Ų4950%0.49726%0.258SS..SBendtrans-60.5-44.8174.1-68.8172.6000110.4Q82 N134 C135Q82-I84 PolarHBondContact O-N 3.21Å; I84-N134 HydrophobicContact CD1-CB 4.26Å; I84-N134 HydrophobicContact CG1-CB 3.99Å; I84-C135 WeakPolarHBondContact CG1-O 3.42Å; I84-C135 PolarHBondContact N-O 2.9Å
85N90Very high88.5Confident90 Ų9050.2 Ų50.248%0.48126%0.264SS..SBendtrans-111.996168.7-61-37.2000108.1C83 T137C83-N85 VanDerWaalsContact C-N 3.31Å; C83-N85 PolarHBondContact O-N 2.72Å; N85-T137 VanDerWaalsContact C-OG1 3.3Å; N85-T137 VanDerWaalsContact CA-OG1 3.31Å; N85-T137 WeakPolarHBondContact CA-OG1 3.26Å; N85-T137 VanDerWaalsContact CB-OG1 3.32Å; N85-T137 WeakPolarHBondContact CB-OG1 3.46Å; N85-T137 PolarHBondContact N-OG1 3.41Å; N85-T137 WeakPolarHBondContact O-CB 3.43Å; N85-T137 PolarHBondContact O-OG1 3.04Å
86P89.6Confident90.4Very high67 Ų6749.1 Ų49.144%0.43525%0.252SS..  trans-64.9146179.726.8-33.6000110.9C57 C83 L88C57-P86 HydrophobicContact CB-CB 3.8Å; C83-P86 HydrophobicContact CB-CB 4.31Å; P86-L88 PolarHBondContact O-N 2.89Å
87P91.3Very high91.8Very high10 Ų1048.5 Ų48.57%0.06525%0.245CC..  trans-62.9137.4177.327.1-34.1000110.6W52 F89 V91 L105W52-P87 HydrophobicContact CH2-CG 3.79Å; W52-P87 HydrophobicContact CZ2-CG 3.68Å; P87-F89 HydrophobicContact CB-CD1 4.19Å; P87-F89 HydrophobicContact CB-CD2 4.37Å; P87-F89 HydrophobicContact CB-CE1 3.79Å; P87-F89 HydrophobicContact CB-CE2 4Å; P87-F89 HydrophobicContact CB-CG 4.45Å; P87-F89 HydrophobicContact CB-CZ 3.68Å; P87-F89 PolarHBondContact O-N 3.39Å; P87-V91 HydrophobicContact CG-CG2 4.16Å; P87-L105 HydrophobicContact CG-CD1 4.25Å
88L89.6Confident92.2Very high149 Ų14944.4 Ų44.478%0.7823%0.232SC*.SBendtrans-87.714.2177.6-57.7178.8000112.8P86P86-L88 PolarHBondContact O-N 2.89Å
89F91.5Very high92.1Very high27 Ų2743.2 Ų43.212%0.11823%0.231CC..SBendtrans-137.6156.2-175.656.2-95.5000109.6P87 V91 R109 G110P87-F89 HydrophobicContact CB-CD1 4.19Å; P87-F89 HydrophobicContact CB-CD2 4.37Å; P87-F89 HydrophobicContact CB-CE1 3.79Å; P87-F89 HydrophobicContact CB-CE2 4Å; P87-F89 HydrophobicContact CB-CG 4.45Å; P87-F89 HydrophobicContact CB-CZ 3.68Å; P87-F89 PolarHBondContact O-N 3.39Å; F89-V91 HydrophobicContact CE2-CG2 4.29Å; F89-R109 HydrophobicContact CB-CB 4.24Å; F89-G110 VanDerWaalsContact CE1-C 3.4Å; F89-G110 VanDerWaalsContact CE2-O 3.24Å; F89-G110 WeakPolarHBondContact CE2-O 3.39Å; F89-G110 WeakPolarHBondContact CZ-O 3.27Å
90Q91.1Very high92Very high99 Ų9947.3 Ų47.346%0.46325%0.251SS..  trans-71.8129.8175.4-168.2-175.525.500110.1G107Q90-G107 VanDerWaalsContact O-CA 3.31Å; Q90-G107 WeakPolarHBondContact O-CA 3.45Å
91V93.6Very high91.8Very high0 Ų052.8 Ų52.80%028%0.275CS..  trans-81.1135.7178.6-1770000108.9K39 L41 W52 D54 P87 F89 L94 L105K39-V91 PolarHBondContact NZ-O 2.76Å; L41-V91 HydrophobicContact CD2-CB 4.35Å; L41-V91 HydrophobicContact CD2-CG1 4Å; W52-V91 HydrophobicContact CZ2-CG2 3.76Å; D54-V91 PolarHBondContact OD1-N 3.47Å; P87-V91 HydrophobicContact CG-CG2 4.16Å; F89-V91 HydrophobicContact CE2-CG2 4.29Å; V91-L94 HydrophobicContact CG1-CD2 3.82Å; V91-L105 HydrophobicContact CG1-CD2 4.49Å; V91-L105 HydrophobicContact CG2-CB 4.23Å
92C92.1Very high91.8Very high24 Ų2453.8 Ų53.816%0.16228%0.28CS..  trans-117.8-27.3179.2-62.70000112.2K39 N40 V106K39-C92 WeakPolarHBondContact CA-O 3.42Å; K39-C92 WeakPolarHBondContact CB-O 3.36Å; N40-C92 PolarHBondContact N-O 3.4Å; C92-V106 PolarHBondContact N-O 2.89Å
93Q93.6Very high91.8Very high50 Ų5050.6 Ų50.623%0.23427%0.265CS..EExtended strand (participates in β ladder)trans-148.7143-176-1781757.900111.2N40 L95 V106N40-Q93 HydrophobicContact CB-CG 4.44Å; N40-Q93 CarbonylContact O-C 3.52Å; N40-Q93 VanDerWaalsContact O-CA 3.32Å; N40-Q93 WeakPolarHBondContact O-CA 3.28Å; Q93-L95 HydrophobicContact CG-CD2 4.19Å; Q93-L95 HydrophobicContact CG-CG 4.19Å; Q93-V106 HydrophobicContact CB-CB 4.21Å; Q93-V106 PolarHBondContact N-O 3.41Å; Q93-V106 VanDerWaalsContact N-O 3.1Å; Q93-V106 WeakPolarHBondContact O-CB 3.36Å; Q93-V106 PolarHBondContact O-N 3.3Å
94L95.8Very high92Very high5 Ų549.9 Ų49.93%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-113.2136.1172.5-59.2-177.4000110N40 L41 F43 W52 F59 V91 A104 L105N40-L94 PolarHBondContact O-N 3.44Å; L41-L94 VanDerWaalsContact O-CD1 3.25Å; L41-L94 WeakPolarHBondContact O-CD1 3.37Å; F43-L94 HydrophobicContact CD1-CB 4.35Å; F43-L94 HydrophobicContact CD1-CD1 3.85Å; F43-L94 HydrophobicContact CE1-CD1 4.32Å; W52-L94 HydrophobicContact CB-CD1 4.03Å; F59-L94 HydrophobicContact CE1-CD1 3.52Å; F59-L94 HydrophobicContact CE1-CD2 4.21Å; F59-L94 HydrophobicContact CZ-CD1 3.97Å; F59-L94 HydrophobicContact CZ-CD2 3.83Å; V91-L94 HydrophobicContact CG1-CD2 3.82Å; L94-A104 WeakPolarHBondContact CA-O 3.36Å; L94-L105 HydrophobicContact CD2-CD2 3.39Å
95L94.6Very high92.2Very high34 Ų3445.2 Ų45.218%0.17824%0.237CC..EExtended strand (participates in β ladder)trans-131.8115.2178.6-62.1170.6000110.1Q93 V103 A104 V106 A156 W158Q93-L95 HydrophobicContact CG-CD2 4.19Å; Q93-L95 HydrophobicContact CG-CG 4.19Å; L95-V103 WeakPolarHBondContact O-CA 3.45Å; L95-A104 HydrophobicContact CB-CB 4.27Å; L95-A104 PolarHBondContact N-O 2.88Å; L95-A104 PolarHBondContact O-N 3.45Å; L95-V106 HydrophobicContact CD1-CG2 4.05Å; L95-A156 HydrophobicContact CD1-CB 4.32Å; L95-A156 WeakPolarHBondContact CD1-O 3.42Å; L95-W158 PolarHBondContact O-NE1 2.71Å
96L93.4Very high92.5Very high49 Ų4941.3 Ų41.326%0.25722%0.216SC..EExtended strand (participates in β ladder)trans-72.5136.1171.6-17466.5000109.6F43 L45 Q100 V103 L116 W158F43-L96 HydrophobicContact CD2-CD1 4.28Å; F43-L96 HydrophobicContact CE2-CD1 4.23Å; L45-L96 HydrophobicContact CD1-CD2 4.13Å; L96-Q100 HydrophobicContact CD2-CB 4.44Å; L96-Q100 HydrophobicContact CD2-CG 4.23Å; L96-V103 HydrophobicContact CD1-CG2 3.89Å; L96-L116 HydrophobicContact CD1-CD1 4.2Å; L96-W158 VanDerWaalsContact O-CD1 3.26Å
97S92.9Very high92.7Very high4 Ų438.3 Ų38.33%0.02820%0.197CC..  trans-67.8155.2177.168.80000111.8T99 Q100 H101 L102S97-T99 PolarHBondContact O-N 3.15Å; S97-T99 PolarHBondContact OG-OG1 3.16Å; S97-Q100 WeakPolarHBondContact O-CA 3.44Å; S97-Q100 PolarHBondContact O-N 3.42Å; S97-Q100 PolarHBondContact OG-N 2.84Å; S97-H101 PolarHBondContact OG-N 2.88Å; S97-L102 WeakPolarHBondContact CB-O 3.4Å; S97-L102 PolarHBondContact N-O 3.47Å; S97-L102 PolarHBondContact OG-N 3.35Å; S97-L102 PolarHBondContact OG-O 3.31Å
98P88.4Confident92.7Very high42 Ų4242.8 Ų42.827%0.27322%0.217SC..THydrogen-bonded Turntrans-54.3-35.3171.7-26.734.8000112.7Q100 W158 E162P98-Q100 PolarHBondContact O-N 3.47Å; P98-W158 HydrophobicContact CG-CB 4.15Å; P98-E162 HydrophobicContact CB-CG 4.12Å
99T87.3Confident92.8Very high45 Ų4544.5 Ų44.528%0.27621%0.213SC..THydrogen-bonded Turntrans-74.9-6.5175.757.10000114.6S97 H101S97-T99 PolarHBondContact O-N 3.15Å; S97-T99 PolarHBondContact OG-OG1 3.16Å; T99-H101 PolarHBondContact O-CD2 3.01Å; T99-H101 PolarHBondContact O-N 3.13Å; T99-H101 VanDerWaalsContact O-N 3.1Å; T99-H101 PolarHBondContact O-NE2 3.45Å
100Q88.9Confident92.8Very high107 Ų10743.4 Ų43.450%0.521%0.21SC..SBendtrans59.619.2177.2-55.4-174.98.800116.3L45 L96 S97 P98L45-Q100 HydrophobicContact CD1-CB 3.71Å; L45-Q100 HydrophobicContact CD1-CG 4.27Å; L96-Q100 HydrophobicContact CD2-CB 4.44Å; L96-Q100 HydrophobicContact CD2-CG 4.23Å; S97-Q100 WeakPolarHBondContact O-CA 3.44Å; S97-Q100 PolarHBondContact O-N 3.42Å; S97-Q100 PolarHBondContact OG-N 2.84Å; P98-Q100 PolarHBondContact O-N 3.47Å
101H90.1Very high93.1Very high127 Ų12738.8 Ų38.859%0.58819%0.188SC*.SBendtrans-113.6-14178.8-62.8-48.2000113.5S97 T99 L116S97-H101 PolarHBondContact OG-N 2.88Å; T99-H101 PolarHBondContact O-CD2 3.01Å; T99-H101 PolarHBondContact O-N 3.13Å; T99-H101 VanDerWaalsContact O-N 3.1Å; T99-H101 PolarHBondContact O-NE2 3.45Å; H101-L116 WeakPolarHBondContact O-CB 3.44Å; H101-L116 PolarHBondContact O-N 3.49Å
102L93.9Very high93.2Very high21 Ų2139.1 Ų39.111%0.1119%0.191CC..EExtended strand (participates in β ladder)trans-125.3144.1-174.6-60.3162000109.3S97 V113 L114 E115 W158 P166 L182S97-L102 WeakPolarHBondContact CB-O 3.4Å; S97-L102 PolarHBondContact N-O 3.47Å; S97-L102 PolarHBondContact OG-N 3.35Å; S97-L102 PolarHBondContact OG-O 3.31Å; L102-V113 HydrophobicContact CB-CG1 3.92Å; L102-V113 HydrophobicContact CD2-CG1 4.02Å; L102-V113 HydrophobicContact CG-CG1 4.45Å; L102-L114 WeakPolarHBondContact CA-O 3.28Å; L102-E115 HydrophobicContact CD2-CB 4.08Å; L102-E115 HydrophobicContact CD2-CG 4.1Å; L102-W158 HydrophobicContact CB-CH2 4.2Å; L102-W158 HydrophobicContact CB-CZ2 4.25Å; L102-P166 HydrophobicContact CD1-CB 4Å; L102-P166 HydrophobicContact CD1-CG 3.58Å; L102-L182 HydrophobicContact CD1-CD1 3.56Å; L102-L182 HydrophobicContact CD2-CD1 4.43Å
103V95.6Very high93.4Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-127.4120.5177.8-1790000108.7F43 F59 L95 L96 V113 L114 L116F43-V103 HydrophobicContact CD1-CG1 4.19Å; F43-V103 HydrophobicContact CE1-CB 4.49Å; F43-V103 HydrophobicContact CE1-CG1 3.79Å; F43-V103 HydrophobicContact CE1-CG2 3.95Å; F43-V103 HydrophobicContact CE2-CG2 3.88Å; F43-V103 HydrophobicContact CZ-CB 4.47Å; F43-V103 HydrophobicContact CZ-CG1 4.24Å; F43-V103 HydrophobicContact CZ-CG2 3.51Å; F59-V103 HydrophobicContact CZ-CG1 4.28Å; L95-V103 WeakPolarHBondContact O-CA 3.45Å; L96-V103 HydrophobicContact CD1-CG2 3.89Å; V103-V113 CarbonylContact O-C 3.55Å; V103-V113 WeakPolarHBondContact O-CA 3.4Å; V103-L114 PolarHBondContact N-O 2.81Å; V103-L114 PolarHBondContact O-N 3.38Å; V103-L116 HydrophobicContact CG2-CD1 3.99Å; V103-L116 HydrophobicContact CG2-CD2 3.99Å; V103-L116 HydrophobicContact CG2-CG 3.98Å
104A96.5Very high93.5Very high0 Ų035.7 Ų35.70%017%0.172CC..EExtended strand (participates in β ladder)trans-83.1123.1172.500000110.2L94 L95 V106 V113 W158 L168L94-A104 WeakPolarHBondContact CA-O 3.36Å; L95-A104 HydrophobicContact CB-CB 4.27Å; L95-A104 PolarHBondContact N-O 2.88Å; L95-A104 PolarHBondContact O-N 3.45Å; A104-V106 HydrophobicContact CB-CG2 4.12Å; A104-V113 HydrophobicContact CB-CG2 4.32Å; A104-W158 HydrophobicContact CB-CZ2 3.73Å; A104-L168 HydrophobicContact CB-CD1 4.01Å; A104-L168 HydrophobicContact CB-CD2 4.27Å
105L96.4Very high93.4Very high0 Ų039.5 Ų39.50%019%0.19CC..EExtended strand (participates in β ladder)trans-88.5105.8167.6-57.9172.3000107.9W52 F59 P87 V91 L94 V111 S112W52-L105 HydrophobicContact CD2-CD2 4.31Å; W52-L105 HydrophobicContact CE3-CD2 3.96Å; W52-L105 HydrophobicContact CH2-CD1 4.14Å; W52-L105 HydrophobicContact CH2-CD2 4.48Å; W52-L105 HydrophobicContact CZ3-CD1 4.18Å; W52-L105 HydrophobicContact CZ3-CD2 4.06Å; F59-L105 HydrophobicContact CE2-CD2 3.61Å; F59-L105 HydrophobicContact CZ-CD2 3.42Å; F59-L105 VanDerWaalsContact CZ-CD2 3.42Å; P87-L105 HydrophobicContact CG-CD1 4.25Å; V91-L105 HydrophobicContact CG1-CD2 4.49Å; V91-L105 HydrophobicContact CG2-CB 4.23Å; L94-L105 HydrophobicContact CD2-CD2 3.39Å; L105-V111 WeakPolarHBondContact O-CA 3.43Å; L105-S112 WeakPolarHBondContact CA-O 3.43Å; L105-S112 VanDerWaalsContact CB-O 3.3Å; L105-S112 WeakPolarHBondContact CB-O 3.45Å; L105-S112 PolarHBondContact N-O 3.23Å; L105-S112 PolarHBondContact O-N 2.95Å
106V96.1Very high93.3Very high8 Ų838.7 Ų38.75%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-109127-172.4-175.90000109.8C92 Q93 L95 A104 V111 L153 A156C92-V106 PolarHBondContact N-O 2.89Å; Q93-V106 HydrophobicContact CB-CB 4.21Å; Q93-V106 PolarHBondContact N-O 3.41Å; Q93-V106 VanDerWaalsContact N-O 3.1Å; Q93-V106 WeakPolarHBondContact O-CB 3.36Å; Q93-V106 PolarHBondContact O-N 3.3Å; L95-V106 HydrophobicContact CD1-CG2 4.05Å; A104-V106 HydrophobicContact CB-CG2 4.12Å; V106-V111 HydrophobicContact CG2-CG1 4.25Å; V106-L153 HydrophobicContact CG1-CD2 3.49Å; V106-L153 VanDerWaalsContact CG1-CD2 3.49Å; V106-A156 HydrophobicContact CG1-CB 3.78Å; V106-A156 HydrophobicContact CG2-CB 3.87Å
107G93.9Very high93.2Very high3 Ų337.2 Ų37.23%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-135.2169.1172.300000112Q90 R109 G110 L153Q90-G107 VanDerWaalsContact O-CA 3.31Å; Q90-G107 WeakPolarHBondContact O-CA 3.45Å; G107-R109 PolarHBondContact O-N 3Å; G107-R109 VanDerWaalsContact O-N 3.16Å; G107-G110 PolarHBondContact N-O 3.37Å; G107-G110 PolarHBondContact O-N 3.45Å; G107-L153 WeakPolarHBondContact O-CD2 3.45Å
108Q91.5Very high93Very high105 Ų10545.1 Ų45.149%0.49122%0.215SC..THydrogen-bonded Turntrans-65.2-21.2-176.8-66.2-176.91.400113.8K152 L153Q108-K152 WeakPolarHBondContact O-CA 3.28Å; Q108-L153 PolarHBondContact O-N 2.86Å
109R91.3Very high93Very high185 Ų18546.8 Ų46.870%0.69822%0.216SC*.THydrogen-bonded Turntrans-115.98.7-176.4-63.6-158-67.5-129.2-0.1114.3F89 G107 F145F89-R109 HydrophobicContact CB-CB 4.24Å; G107-R109 PolarHBondContact O-N 3Å; G107-R109 VanDerWaalsContact O-N 3.16Å; R109-F145 WeakPolarHBondContact O-CB 3.31Å
110G92.4Very high92.7Very high4 Ų452.9 Ų52.94%0.04123%0.234CC..EExtended strand (participates in β ladder)trans171.1169.3-179.200000113.7F89 G107F89-G110 VanDerWaalsContact CE1-C 3.4Å; F89-G110 VanDerWaalsContact CE2-O 3.24Å; F89-G110 WeakPolarHBondContact CE2-O 3.39Å; F89-G110 WeakPolarHBondContact CZ-O 3.27Å; G107-G110 PolarHBondContact N-O 3.37Å; G107-G110 PolarHBondContact O-N 3.45Å
111V95.9Very high92Very high2 Ų250.8 Ų50.81%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-137.2142.4177-169.40000109.5L105 V106 V140 L153 L168 L170L105-V111 WeakPolarHBondContact O-CA 3.43Å; V106-V111 HydrophobicContact CG2-CG1 4.25Å; V111-V140 HydrophobicContact CB-CB 4.4Å; V111-V140 PolarHBondContact O-N 3.36Å; V111-L153 HydrophobicContact CG2-CD2 3.29Å; V111-L168 HydrophobicContact CB-CD2 4.38Å; V111-L168 HydrophobicContact CG1-CD2 3.39Å; V111-L170 HydrophobicContact CG2-CD1 4.24Å; V111-L170 HydrophobicContact CG2-CD2 3.88Å
112S96.1Very high90.9Very high7 Ų753.8 Ų53.85%0.04925%0.253CS..EExtended strand (participates in β ladder)trans-139.6140.8175.1-67.50000109.1L105 I138L105-S112 WeakPolarHBondContact CA-O 3.43Å; L105-S112 VanDerWaalsContact CB-O 3.3Å; L105-S112 WeakPolarHBondContact CB-O 3.45Å; L105-S112 PolarHBondContact N-O 3.23Å; L105-S112 PolarHBondContact O-N 2.95Å; S112-I138 CarbonylContact C-O 3.53Å; S112-I138 WeakPolarHBondContact CA-O 3.26Å
113V96.3Very high89.7Confident1 Ų159 Ų591%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-108.6123.2179.6177.60000109L102 V103 A104 T137 I138 V140 W158 L168 L182L102-V113 HydrophobicContact CB-CG1 3.92Å; L102-V113 HydrophobicContact CD2-CG1 4.02Å; L102-V113 HydrophobicContact CG-CG1 4.45Å; V103-V113 CarbonylContact O-C 3.55Å; V103-V113 WeakPolarHBondContact O-CA 3.4Å; A104-V113 HydrophobicContact CB-CG2 4.32Å; V113-T137 CarbonylContact O-C 3.38Å; V113-T137 VanDerWaalsContact O-CA 3.29Å; V113-T137 WeakPolarHBondContact O-CA 3.23Å; V113-I138 PolarHBondContact N-O 3.01Å; V113-I138 PolarHBondContact O-N 3.26Å; V113-V140 HydrophobicContact CG2-CG2 3.87Å; V113-W158 HydrophobicContact CG1-CH2 3.88Å; V113-W158 HydrophobicContact CG1-CZ2 4.26Å; V113-W158 HydrophobicContact CG2-CH2 3.92Å; V113-W158 HydrophobicContact CG2-CZ2 4.35Å; V113-L168 HydrophobicContact CG2-CD2 4.15Å; V113-L182 HydrophobicContact CB-CD2 4.33Å; V113-L182 HydrophobicContact CG1-CD1 4.08Å; V113-L182 HydrophobicContact CG2-CD2 3.89Å
114L95.8Very high88.7Confident0 Ų062 Ų620%029%0.292CS..EExtended strand (participates in β ladder)trans-94.8130.7174.4-177143000110F59 L102 V103 L116 C135 T137F59-L114 HydrophobicContact CD2-CD1 3.88Å; F59-L114 HydrophobicContact CE2-CD1 3.94Å; L102-L114 WeakPolarHBondContact CA-O 3.28Å; V103-L114 PolarHBondContact N-O 2.81Å; V103-L114 PolarHBondContact O-N 3.38Å; L114-L116 HydrophobicContact CD2-CD2 3.93Å; L114-C135 HydrophobicContact CD1-CB 3.66Å; L114-C135 HydrophobicContact CD2-CB 3.98Å; L114-C135 HydrophobicContact CG-CB 3.75Å; L114-T137 HydrophobicContact CB-CG2 4.01Å; L114-T137 HydrophobicContact CD1-CG2 3.92Å; L114-T137 HydrophobicContact CG-CG2 4.1Å
115E94.7Very high88Confident85 Ų8564 Ų6440%0.39730%0.302SS..EExtended strand (participates in β ladder)trans-87121171.6-169.1175.1171.600109.7L102 K136L102-E115 HydrophobicContact CD2-CB 4.08Å; L102-E115 HydrophobicContact CD2-CG 4.1Å; E115-K136 HydrophobicContact CB-CB 4.35Å; E115-K136 PolarHBondContact N-O 3.2Å; E115-K136 IonicContact OE2-NZ 3.89Å
116L92.8Very high87.5Confident18 Ų1864.2 Ų64.29%0.09430%0.302CS..PPolyproline II helixtrans-69.6137-179.8-68.9173.9000109.9F43 L45 F50 L81 L96 H101 V103 L114F43-L116 HydrophobicContact CZ-CD2 4.32Å; L45-L116 HydrophobicContact CD2-CD1 3.69Å; F50-L116 HydrophobicContact CE1-CD2 4.3Å; L81-L116 HydrophobicContact CD1-CD2 4.45Å; L96-L116 HydrophobicContact CD1-CD1 4.2Å; H101-L116 WeakPolarHBondContact O-CB 3.44Å; H101-L116 PolarHBondContact O-N 3.49Å; V103-L116 HydrophobicContact CG2-CD1 3.99Å; V103-L116 HydrophobicContact CG2-CD2 3.99Å; V103-L116 HydrophobicContact CG2-CG 3.98Å; L114-L116 HydrophobicContact CD2-CD2 3.93Å
117P91.5Very high87.1Confident18 Ų1866.4 Ų66.412%0.11731%0.312CS..PPolyproline II helixtrans-68.7156.1-177.324.5-27.5000111.5L81 F126 E127 I133L81-P117 HydrophobicContact CD1-CG 4.42Å; L81-P117 HydrophobicContact CD2-CG 4Å; P117-F126 HydrophobicContact CB-CD1 4.29Å; P117-F126 HydrophobicContact CG-CB 3.93Å; P117-F126 HydrophobicContact CG-CD1 3.62Å; P117-F126 HydrophobicContact CG-CE1 4.27Å; P117-F126 HydrophobicContact CG-CG 3.89Å; P117-F126 VanDerWaalsContact O-CD1 3.22Å; P117-F126 WeakPolarHBondContact O-CD1 3.43Å; P117-F126 WeakPolarHBondContact O-CE1 3.24Å; P117-E127 HydrophobicContact CB-CG 4.12Å; P117-I133 HydrophobicContact CB-CG2 3.82Å; P117-I133 HydrophobicContact CG-CG2 3.91Å
118Q88.2Confident86.5Confident169 Ų16968.4 Ų68.479%0.7933%0.333SS*.PPolyproline II helixtrans-70.5151.8175.7-70.3-172.5-6.700111.8E127Q118-E127 PolarHBondContact O-N 2.71Å
119R87.3Confident86.1Confident78 Ų7864.7 Ų64.729%0.29432%0.323SS..BIsolated β-bridgetrans-102.7132.4177.8-62.5174.6-176.5-101.210.5110.1D48 S124 F126D48-R119 IonicContact OD1-NH1 2.84Å; D48-R119 IonicContact OD2-CZ 3.88Å; D48-R119 IonicContact OD2-NH1 3.08Å; D48-R119 PolarHBondContact OD2-NH1 2.92Å; D48-R119 IonicContact OD2-NH2 2.68Å; D48-R119 PolarHBondContact OD2-NH2 3.38Å; R119-S124 PolarHBondContact NH1-O 2.83Å; R119-F126 HydrophobicContact CG-CD1 3.68Å; R119-F126 HydrophobicContact CG-CE1 3.75Å
120W81.9Confident85.9Confident173 Ų17363 Ų6366%0.65532%0.316SS*.  trans-160.6162.6174.765.2-24.4000109.4E125 E127 G128W120-E125 PolarHBondContact N-O 2.82Å; W120-E127 VanDerWaalsContact CD1-CA 3.49Å; W120-E127 PolarHBondContact NE1-O 3.45Å; W120-G128 VanDerWaalsContact NE1-N 3.16Å; W120-G128 VanDerWaalsContact O-CA 3.22Å; W120-G128 WeakPolarHBondContact O-CA 3.2Å; W120-G128 PolarHBondContact O-N 2.86Å
121G75Confident85.7Confident63 Ų6370.3 Ų70.365%0.64935%0.349SS*.SBendtrans91.6-168.4-179.600000114.7
122K66.6Low85.5Confident189 Ų18976.7 Ų76.782%0.82238%0.377SS*.G310 helixtrans-72.7145.5-179.1-66.2-176.5179.8-179.50109.8S124K122-S124 VanDerWaalsContact C-N 3.27Å; K122-S124 PolarHBondContact O-N 3.41Å
123R69Low85.4Confident130 Ų13076.4 Ų76.449%0.49138%0.375SS..G310 helixtrans66.113.3175.3-52.2176.9172.6177.5-6.1116.7E71 E125E71-R123 IonicContact OE2-NH2 3.92Å; E71-R123 PolarHBondContact OE2-NH2 3.44Å; R123-E125 VanDerWaalsContact C-N 3.27Å; R123-E125 HydrophobicContact CB-CG 4.3Å; R123-E125 PolarHBondContact O-N 2.85Å
124S74.3Confident85.3Confident63 Ų6381.3 Ų81.344%0.44140%0.401SS..G310 helixtrans60.931.2176.9-151.50000114.5R119 K122R119-S124 PolarHBondContact NH1-O 2.83Å; K122-S124 VanDerWaalsContact C-N 3.27Å; K122-S124 PolarHBondContact O-N 3.41Å
125E81.7Confident85.2Confident44 Ų4481.4 Ų81.421%0.20640%0.402CS..  trans-76.1155.9178.9-68.1176.1-178.100112Q66 W120 R123 G129Q66-E125 PolarHBondContact NE2-OE1 2.89Å; W120-E125 PolarHBondContact N-O 2.82Å; R123-E125 VanDerWaalsContact C-N 3.27Å; R123-E125 HydrophobicContact CB-CG 4.3Å; R123-E125 PolarHBondContact O-N 2.85Å; E125-G129 WeakPolarHBondContact OE2-CA 3.21Å
126F85.6Confident85.2Confident3 Ų382.8 Ų82.81%0.01341%0.406CS..BIsolated β-bridgetrans-71.3138.8178-67-71.4000111F50 T61 Q79 P117 R119 G128 G129 I133F50-F126 AromaticContact CE1-CE2 3.96Å; F50-F126 HydrophobicContact CE1-CE2 3.96Å; F50-F126 HydrophobicContact CE1-CZ 4.22Å; F50-F126 AromaticContact CZ-CE2 3.57Å; F50-F126 HydrophobicContact CZ-CE2 3.57Å; F50-F126 AromaticContact CZ-CZ 3.63Å; F50-F126 HydrophobicContact CZ-CZ 3.63Å; T61-F126 HydrophobicContact CG2-CD2 4.22Å; T61-F126 HydrophobicContact CG2-CE2 4.4Å; Q79-F126 PolarHBondContact NE2-O 2.89Å; P117-F126 HydrophobicContact CB-CD1 4.29Å; P117-F126 HydrophobicContact CG-CB 3.93Å; P117-F126 HydrophobicContact CG-CD1 3.62Å; P117-F126 HydrophobicContact CG-CE1 4.27Å; P117-F126 HydrophobicContact CG-CG 3.89Å; P117-F126 VanDerWaalsContact O-CD1 3.22Å; P117-F126 WeakPolarHBondContact O-CD1 3.43Å; P117-F126 WeakPolarHBondContact O-CE1 3.24Å; R119-F126 HydrophobicContact CG-CD1 3.68Å; R119-F126 HydrophobicContact CG-CE1 3.75Å; F126-G128 PolarHBondContact O-N 3.26Å; F126-G129 PolarHBondContact O-N 3.45Å; F126-I133 HydrophobicContact CB-CD1 3.43Å; F126-I133 VanDerWaalsContact CB-CD1 3.43Å
127E87.1Confident85.2Confident55 Ų5582.3 Ų82.326%0.25740%0.404SS..THydrogen-bonded Turntrans44.929.9-177.3-63-158.6165.500115.2P117 Q118 W120 R130 I133P117-E127 HydrophobicContact CB-CG 4.12Å; Q118-E127 PolarHBondContact O-N 2.71Å; W120-E127 VanDerWaalsContact CD1-CA 3.49Å; W120-E127 PolarHBondContact NE1-O 3.45Å; E127-R130 HydrophobicContact CB-CG 4.44Å; E127-R130 WeakPolarHBondContact OE2-CD 3.48Å; E127-R130 IonicContact OE2-CZ 3.84Å; E127-R130 IonicContact OE2-NH1 2.72Å; E127-R130 PolarHBondContact OE2-NH1 2.85Å; E127-I133 HydrophobicContact CB-CD1 4.04Å; E127-I133 HydrophobicContact CB-CG1 4.15Å; E127-I133 HydrophobicContact CG-CD1 4.22Å; E127-I133 HydrophobicContact CG-CG1 4.23Å; E127-I133 HydrophobicContact CG-CG2 3.85Å
128G82Confident85.4Confident45 Ų4583 Ų8346%0.46441%0.406SS..THydrogen-bonded Turntrans82.220.3175.600000113.6W120 F126W120-G128 VanDerWaalsContact NE1-N 3.16Å; W120-G128 VanDerWaalsContact O-CA 3.22Å; W120-G128 WeakPolarHBondContact O-CA 3.2Å; W120-G128 PolarHBondContact O-N 2.86Å; F126-G128 PolarHBondContact O-N 3.26Å
129G83Confident85.7Confident27 Ų2776.2 Ų76.228%0.27838%0.377SS..THydrogen-bonded Turntrans90.921.2176.400000114.6E125 F126E125-G129 WeakPolarHBondContact OE2-CA 3.21Å; F126-G129 PolarHBondContact O-N 3.45Å
130R87.2Confident86Confident150 Ų15072.5 Ų72.557%0.56636%0.363SS*.  trans-63.9135.2175-72.1179.8177.9-174.4-4.5110.9Q79 E127 K132 I133Q79-R130 PolarHBondContact NE2-O 2.82Å; E127-R130 HydrophobicContact CB-CG 4.44Å; E127-R130 WeakPolarHBondContact OE2-CD 3.48Å; E127-R130 IonicContact OE2-CZ 3.84Å; E127-R130 IonicContact OE2-NH1 2.72Å; E127-R130 PolarHBondContact OE2-NH1 2.85Å; R130-K132 VanDerWaalsContact C-N 3.33Å; R130-K132 PolarHBondContact O-N 3.39Å; R130-I133 HydrophobicContact CB-CG1 4Å
131E87.6Confident86.5Confident156 Ų15664.3 Ų64.373%0.72933%0.332SS*.SBendtrans-66.7-34.4179.9-66.3-173.917000113.1Q79 T80Q79-E131 CarbonylContact C-O 3.54Å; Q79-E131 WeakPolarHBondContact CA-O 3.23Å; T80-E131 PolarHBondContact N-O 3.08Å
132K92.4Very high87.3Confident136 Ų13665 Ų6559%0.59132%0.319SS*.EExtended strand (participates in β ladder)trans-126.7128.7178.4-64.2-177.5-178177.60109.7T80 R130T80-K132 WeakPolarHBondContact O-CA 3.45Å; R130-K132 VanDerWaalsContact C-N 3.33Å; R130-K132 PolarHBondContact O-N 3.39Å
133I93.9Very high88.4Confident1 Ų164.4 Ų64.41%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-128.3132.7-175.5-63.2167000108.4T80 L81 Q82 P117 F126 E127 R130T80-I133 PolarHBondContact O-N 3.06Å; L81-I133 CarbonylContact C-O 3.51Å; L81-I133 WeakPolarHBondContact CA-O 3.33Å; L81-I133 HydrophobicContact CD2-CB 3.78Å; L81-I133 HydrophobicContact CD2-CD1 3.86Å; L81-I133 HydrophobicContact CD2-CG1 4.34Å; L81-I133 HydrophobicContact CD2-CG2 4.21Å; Q82-I133 PolarHBondContact N-O 3.43Å; P117-I133 HydrophobicContact CB-CG2 3.82Å; P117-I133 HydrophobicContact CG-CG2 3.91Å; F126-I133 HydrophobicContact CB-CD1 3.43Å; F126-I133 VanDerWaalsContact CB-CD1 3.43Å; E127-I133 HydrophobicContact CB-CD1 4.04Å; E127-I133 HydrophobicContact CB-CG1 4.15Å; E127-I133 HydrophobicContact CG-CD1 4.22Å; E127-I133 HydrophobicContact CG-CG1 4.23Å; E127-I133 HydrophobicContact CG-CG2 3.85Å; R130-I133 HydrophobicContact CB-CG1 4Å
134N93.4Very high89.5Confident105 Ų10560.1 Ų60.156%0.56130%0.296SS*.EExtended strand (participates in β ladder)trans-88.9118.9175.4-69.8-37.5000109.4I84I84-N134 HydrophobicContact CD1-CB 4.26Å; I84-N134 HydrophobicContact CG1-CB 3.99Å
135C94.1Very high90.2Very high2 Ų257.9 Ų57.91%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-103133.7178.9-67.90000110.4Q82 I84 L114 T137Q82-C135 PolarHBondContact O-N 2.88Å; I84-C135 WeakPolarHBondContact CG1-O 3.42Å; I84-C135 PolarHBondContact N-O 2.9Å; L114-C135 HydrophobicContact CD1-CB 3.66Å; L114-C135 HydrophobicContact CD2-CB 3.98Å; L114-C135 HydrophobicContact CG-CB 3.75Å; C135-T137 PolarHBondContact O-N 3.34Å
136K94.1Very high90.6Very high114 Ų11460.8 Ų60.850%0.49630%0.299SS..PPolyproline II helixtrans-66.7130.2174-177.3178167-160.10109.2E115E115-K136 HydrophobicContact CB-CB 4.35Å; E115-K136 PolarHBondContact N-O 3.2Å; E115-K136 IonicContact OE2-NZ 3.89Å
137T94.3Very high90.9Very high7 Ų765.1 Ų65.14%0.04333%0.33CS..EExtended strand (participates in β ladder)trans-122.5133.9176.548.60000110.4C83 N85 V113 L114 C135C83-T137 HydrophobicContact CB-CG2 3.7Å; N85-T137 VanDerWaalsContact C-OG1 3.3Å; N85-T137 VanDerWaalsContact CA-OG1 3.31Å; N85-T137 WeakPolarHBondContact CA-OG1 3.26Å; N85-T137 VanDerWaalsContact CB-OG1 3.32Å; N85-T137 WeakPolarHBondContact CB-OG1 3.46Å; N85-T137 PolarHBondContact N-OG1 3.41Å; N85-T137 WeakPolarHBondContact O-CB 3.43Å; N85-T137 PolarHBondContact O-OG1 3.04Å; V113-T137 CarbonylContact O-C 3.38Å; V113-T137 VanDerWaalsContact O-CA 3.29Å; V113-T137 WeakPolarHBondContact O-CA 3.23Å; L114-T137 HydrophobicContact CB-CG2 4.01Å; L114-T137 HydrophobicContact CD1-CG2 3.92Å; L114-T137 HydrophobicContact CG-CG2 4.1Å; C135-T137 PolarHBondContact O-N 3.34Å
138I94.6Very high91Very high32 Ų3264.3 Ų64.316%0.16433%0.33CS..EExtended strand (participates in β ladder)trans-114.6108.2-177.1-56172.2000107.4S112 V113 V140 P185S112-I138 CarbonylContact C-O 3.53Å; S112-I138 WeakPolarHBondContact CA-O 3.26Å; V113-I138 PolarHBondContact N-O 3.01Å; V113-I138 PolarHBondContact O-N 3.26Å; I138-V140 PolarHBondContact O-N 3.42Å; I138-P185 HydrophobicContact CG2-CB 3.86Å; I138-P185 HydrophobicContact CG2-CG 3.89Å
139P94.3Very high91.1Very high28 Ų2867.7 Ų67.718%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-71.5127.2176.130.1-34000110E142P139-E142 HydrophobicContact CB-CB 4.15Å; P139-E142 WeakPolarHBondContact CG-OE2 3.39Å
140V94.3Very high91.2Very high0 Ų070.1 Ų70.10%036%0.357CS..EExtended strand (participates in β ladder)trans-105.1133.6-178.1-179.10000109.2V111 V113 I138 E142 L168 Y180 L182 P185V111-V140 HydrophobicContact CB-CB 4.4Å; V111-V140 PolarHBondContact O-N 3.36Å; V113-V140 HydrophobicContact CG2-CG2 3.87Å; I138-V140 PolarHBondContact O-N 3.42Å; V140-E142 PolarHBondContact O-N 3.22Å; V140-L168 HydrophobicContact CG1-CD2 4.45Å; V140-L168 HydrophobicContact CG2-CD2 4.47Å; V140-Y180 HydrophobicContact CG1-CD1 4.08Å; V140-Y180 HydrophobicContact CG1-CD2 4.25Å; V140-Y180 HydrophobicContact CG1-CG 3.73Å; V140-L182 HydrophobicContact CG2-CD2 4.09Å; V140-P185 HydrophobicContact CG2-CB 4.31Å
141A92Very high91.4Very high0 Ų063.3 Ų63.30%033%0.332CS..SBendtrans55.521.4-179.800000115R143 F144 F145 L170 Y180 P185A141-R143 VanDerWaalsContact C-N 3.35Å; A141-R143 PolarHBondContact O-N 3.14Å; A141-F144 HydrophobicContact CB-CB 4.31Å; A141-F144 WeakPolarHBondContact O-CA 3.36Å; A141-F144 WeakPolarHBondContact O-CB 3.44Å; A141-F144 PolarHBondContact O-N 3.47Å; A141-F145 HydrophobicContact CB-CD2 4.01Å; A141-F145 HydrophobicContact CB-CE2 3.83Å; A141-F145 WeakPolarHBondContact O-CD2 3.28Å; A141-F145 PolarHBondContact O-N 3.11Å; A141-F145 VanDerWaalsContact O-N 3.07Å; A141-L170 HydrophobicContact CB-CD1 4.2Å; A141-Y180 HydrophobicContact CB-CD1 4.38Å; A141-Y180 HydrophobicContact CB-CE1 3.73Å; A141-Y180 HydrophobicContact CB-CE2 3.93Å; A141-Y180 VanDerWaalsContact CB-CZ 3.47Å; A141-P185 PolarHBondContact N-O 2.85Å
142E91.3Very high91.6Very high79 Ų7961.8 Ų61.837%0.36932%0.323SS..Hα-helixtrans-53.5-47.1-176.3-175.9-178.6-167.700113.4P139 V140 F144 F145 T146 H186P139-E142 HydrophobicContact CB-CB 4.15Å; P139-E142 WeakPolarHBondContact CG-OE2 3.39Å; V140-E142 PolarHBondContact O-N 3.22Å; E142-F144 VanDerWaalsContact C-N 3.27Å; E142-F144 PolarHBondContact O-N 3.23Å; E142-F145 PolarHBondContact O-N 2.96Å; E142-T146 WeakPolarHBondContact O-CB 3.31Å; E142-T146 PolarHBondContact O-N 2.96Å; E142-T146 PolarHBondContact O-OG1 3.48Å; E142-H186 IonicContact OE2-CE1 3.5Å
143R90.4Very high91.6Very high175 Ų17555.8 Ų55.866%0.6630%0.297SS*.Hα-helixtrans-61.7-35.4177.2-64.9-173.6-177.5-173.5-0.2112.4A141 S147A141-R143 VanDerWaalsContact C-N 3.35Å; A141-R143 PolarHBondContact O-N 3.14Å; R143-S147 VanDerWaalsContact O-CB 3.23Å; R143-S147 WeakPolarHBondContact O-CB 3.43Å; R143-S147 PolarHBondContact O-N 2.99Å; R143-S147 PolarHBondContact O-OG 3.21Å
144F91.1Very high91.6Very high41 Ų4160.2 Ų60.218%0.1831%0.314CS..Hα-helixtrans-67.7-51178.9171.9-104.6000110.6A141 E142 T146 S147 S148 V151 T172A141-F144 HydrophobicContact CB-CB 4.31Å; A141-F144 WeakPolarHBondContact O-CA 3.36Å; A141-F144 WeakPolarHBondContact O-CB 3.44Å; A141-F144 PolarHBondContact O-N 3.47Å; E142-F144 VanDerWaalsContact C-N 3.27Å; E142-F144 PolarHBondContact O-N 3.23Å; F144-T146 VanDerWaalsContact C-N 3.33Å; F144-T146 PolarHBondContact O-N 3.19Å; F144-S147 PolarHBondContact O-N 3.34Å; F144-S148 WeakPolarHBondContact O-CB 3.45Å; F144-S148 PolarHBondContact O-N 2.88Å; F144-V151 HydrophobicContact CE1-CG1 3.84Å; F144-V151 HydrophobicContact CZ-CB 4.47Å; F144-V151 HydrophobicContact CZ-CG1 3.93Å; F144-V151 HydrophobicContact CZ-CG2 4.42Å; F144-T172 HydrophobicContact CE1-CG2 4.23Å
145F90.8Very high91.6Very high16 Ų1657.2 Ų57.27%0.0730%0.296CS..Hα-helixtrans-66.1-34.5178.7-71.6-69.5000113R109 A141 E142 L153 L170 T172R109-F145 WeakPolarHBondContact O-CB 3.31Å; A141-F145 HydrophobicContact CB-CD2 4.01Å; A141-F145 HydrophobicContact CB-CE2 3.83Å; A141-F145 WeakPolarHBondContact O-CD2 3.28Å; A141-F145 PolarHBondContact O-N 3.11Å; A141-F145 VanDerWaalsContact O-N 3.07Å; E142-F145 PolarHBondContact O-N 2.96Å; F145-L153 HydrophobicContact CE1-CB 4.08Å; F145-L153 HydrophobicContact CZ-CB 3.98Å; F145-L153 HydrophobicContact CZ-CD1 4.2Å; F145-L170 HydrophobicContact CE2-CD1 4.39Å; F145-T172 HydrophobicContact CE1-CG2 4.24Å; F145-T172 HydrophobicContact CZ-CG2 4.15Å
146T90Very high91.7Very high105 Ų10557.1 Ų57.164%0.64430%0.296SS*.Hα-helixtrans-69.1-40.2176.3-54.10000111.9E142 F144E142-T146 WeakPolarHBondContact O-CB 3.31Å; E142-T146 PolarHBondContact O-N 2.96Å; E142-T146 PolarHBondContact O-OG1 3.48Å; F144-T146 VanDerWaalsContact C-N 3.33Å; F144-T146 PolarHBondContact O-N 3.19Å
147S90.2Very high91.7Very high93 Ų9352.5 Ų52.565%0.6528%0.279SS*.Hα-helixtrans-80.5-19.7-178.3-51.60000113.3R143 F144 P149R143-S147 VanDerWaalsContact O-CB 3.23Å; R143-S147 WeakPolarHBondContact O-CB 3.43Å; R143-S147 PolarHBondContact O-N 2.99Å; R143-S147 PolarHBondContact O-OG 3.21Å; F144-S147 PolarHBondContact O-N 3.34Å; S147-P149 WeakPolarHBondContact O-CD 3.37Å
148S89.1Confident91.7Very high39 Ų3953.2 Ų53.227%0.27328%0.281SS..  trans-124.973.3-177.3-660000111.1F144 S150 V151F144-S148 WeakPolarHBondContact O-CB 3.45Å; F144-S148 PolarHBondContact O-N 2.88Å; S148-S150 PolarHBondContact O-N 2.91Å; S148-S150 VanDerWaalsContact O-N 3.09Å; S148-V151 PolarHBondContact O-N 2.96Å
149P84.5Confident91.5Very high116 Ų11652.1 Ų52.175%0.75328%0.275SS*.THydrogen-bonded Turntrans-66-16.9-172.727.2-36.1000114.1S147 V151S147-P149 WeakPolarHBondContact O-CD 3.37Å; P149-V151 VanDerWaalsContact C-N 3.34Å
150S86.4Confident91.2Very high78 Ų7852.7 Ų52.755%0.54528%0.278SS..THydrogen-bonded Turntrans-82.9-8.9175.863.70000113.7S148 R209S148-S150 PolarHBondContact O-N 2.91Å; S148-S150 VanDerWaalsContact O-N 3.09Å; S150-R209 PolarHBondContact O-NH1 3.35Å
151V89.8Confident90.6Very high7 Ų753 Ų534%0.04228%0.281CS..  trans-91.7123.6178.5179.20000109.2F144 S148 P149 T172 S173 D174F144-V151 HydrophobicContact CE1-CG1 3.84Å; F144-V151 HydrophobicContact CZ-CB 4.47Å; F144-V151 HydrophobicContact CZ-CG1 3.93Å; F144-V151 HydrophobicContact CZ-CG2 4.42Å; S148-V151 PolarHBondContact O-N 2.96Å; P149-V151 VanDerWaalsContact C-N 3.34Å; V151-T172 HydrophobicContact CG1-CG2 4.11Å; V151-S173 WeakPolarHBondContact CA-OG 3.4Å; V151-D174 HydrophobicContact CG2-CB 4.45Å
152K92.1Very high89.6Confident123 Ų12360.4 Ų60.454%0.53532%0.315SS..  trans-107144.7173.8-62.6-176.8-177.9-179.20109.9Q108 T172 S173Q108-K152 WeakPolarHBondContact O-CA 3.28Å; K152-T172 CarbonylContact O-C 3.44Å; K152-T172 WeakPolarHBondContact O-CA 3.47Å; K152-S173 PolarHBondContact N-OG 2.91Å; K152-S173 PolarHBondContact O-N 3.32Å
153L93.8Very high88.4Confident10 Ų1063 Ų635%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-77.7127.8167.9-175.170.6000109.4V106 G107 Q108 V111 F145 A156 L170 L171 T172V106-L153 HydrophobicContact CG1-CD2 3.49Å; V106-L153 VanDerWaalsContact CG1-CD2 3.49Å; G107-L153 WeakPolarHBondContact O-CD2 3.45Å; Q108-L153 PolarHBondContact O-N 2.86Å; V111-L153 HydrophobicContact CG2-CD2 3.29Å; F145-L153 HydrophobicContact CE1-CB 4.08Å; F145-L153 HydrophobicContact CZ-CB 3.98Å; F145-L153 HydrophobicContact CZ-CD1 4.2Å; L153-A156 HydrophobicContact CD2-CB 4.38Å; L153-L170 HydrophobicContact CD1-CB 3.76Å; L153-L170 HydrophobicContact CD1-CD1 4.46Å; L153-L170 HydrophobicContact CD1-CD2 4.03Å; L153-L170 HydrophobicContact CD1-CG 4.3Å; L153-L171 WeakPolarHBondContact CD1-O 3.44Å; L153-T172 HydrophobicContact CD1-CG2 4Å
154R92.1Very high87.4Confident95 Ų9557.4 Ų57.436%0.35832%0.32SS..EExtended strand (participates in β ladder)trans-95-52.1177.5-70.1-175.1168.9-164-6111.3L171 I218 A219R154-L171 HydrophobicContact CB-CD2 4.48Å; R154-L171 HydrophobicContact CB-CG 4.33Å; R154-L171 PolarHBondContact N-O 3.26Å; R154-I218 VanDerWaalsContact CZ-CG2 3.44Å; R154-I218 VanDerWaalsContact NH1-CB 3.34Å; R154-A219 WeakPolarHBondContact CD-O 3.27Å; R154-A219 PolarHBondContact NH1-O 2.84Å
155Q94.6Very high86.8Confident41 Ų4158.6 Ų58.619%0.19233%0.326CS..EExtended strand (participates in β ladder)trans-142.2149178.3-171.4177.8-8.900110.8L171 A221 F222Q155-L171 HydrophobicContact CB-CB 4.38Å; Q155-L171 PolarHBondContact N-O 2.83Å; Q155-L171 PolarHBondContact O-N 3.39Å; Q155-A221 VanDerWaalsContact OE1-CB 3.31Å; Q155-F222 HydrophobicContact CB-CD1 4.3Å; Q155-F222 HydrophobicContact CB-CE1 4.04Å; Q155-F222 HydrophobicContact CG-CD1 4.36Å; Q155-F222 HydrophobicContact CG-CE1 4.06Å; Q155-F222 PolarHBondContact NE2-O 3.42Å; Q155-F222 PolarHBondContact OE1-O 3.23Å
156A95.9Very high86.5Confident1 Ų159.5 Ų59.51%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-128.1148.4166.800000109.8L95 V106 L153 V169 L170L95-A156 HydrophobicContact CD1-CB 4.32Å; L95-A156 WeakPolarHBondContact CD1-O 3.42Å; V106-A156 HydrophobicContact CG1-CB 3.78Å; V106-A156 HydrophobicContact CG2-CB 3.87Å; L153-A156 HydrophobicContact CD2-CB 4.38Å; A156-V169 CarbonylContact C-O 3.54Å; A156-V169 VanDerWaalsContact CA-O 3.28Å; A156-V169 WeakPolarHBondContact CA-O 3.47Å; A156-L170 HydrophobicContact CB-CD2 3.61Å
157A95.1Very high86.5Confident16 Ų1654.6 Ų54.613%0.13230%0.303CS..EExtended strand (participates in β ladder)trans-148.8154.8171.300000110.4V169 F222A157-V169 PolarHBondContact N-O 2.87Å; A157-V169 PolarHBondContact O-N 3.26Å; A157-F222 HydrophobicContact CB-CE2 3.63Å; A157-F222 HydrophobicContact CB-CZ 3.76Å
158W94.1Very high86.6Confident22 Ų2250.1 Ų50.18%0.08327%0.272CS..EExtended strand (participates in β ladder)trans-76.1141.2168.9-69.8106.1000110L95 L96 P98 L102 A104 V113 P166 L168 L182L95-W158 PolarHBondContact O-NE1 2.71Å; L96-W158 VanDerWaalsContact O-CD1 3.26Å; P98-W158 HydrophobicContact CG-CB 4.15Å; L102-W158 HydrophobicContact CB-CH2 4.2Å; L102-W158 HydrophobicContact CB-CZ2 4.25Å; A104-W158 HydrophobicContact CB-CZ2 3.73Å; V113-W158 HydrophobicContact CG1-CH2 3.88Å; V113-W158 HydrophobicContact CG1-CZ2 4.26Å; V113-W158 HydrophobicContact CG2-CH2 3.92Å; V113-W158 HydrophobicContact CG2-CZ2 4.35Å; W158-P166 HydrophobicContact CE3-CB 4.3Å; W158-P166 HydrophobicContact CZ3-CB 3.89Å; W158-L168 HydrophobicContact CD2-CD1 3.81Å; W158-L168 HydrophobicContact CE3-CB 4.49Å; W158-L168 HydrophobicContact CE3-CD1 3.92Å; W158-L168 HydrophobicContact CG-CD1 4.32Å; W158-L168 HydrophobicContact CH2-CD1 4.34Å; W158-L168 HydrophobicContact CZ2-CD1 4.26Å; W158-L168 HydrophobicContact CZ3-CB 4.32Å; W158-L168 HydrophobicContact CZ3-CD1 4.17Å; W158-L182 HydrophobicContact CH2-CD1 4.23Å; W158-L182 HydrophobicContact CZ3-CD1 4.34Å
159Y90.6Very high86.9Confident9 Ų948.3 Ų48.34%0.03526%0.259CS..  trans-64134.6167.7-174.8-102.4000109.4S161 H167 F179 F224 Y245 Y263Y159-S161 PolarHBondContact O-N 3.37Å; Y159-H167 PolarHBondContact N-O 3.41Å; Y159-F179 HydrophobicContact CD2-CD1 4.47Å; Y159-F179 HydrophobicContact CD2-CE1 4.12Å; Y159-F179 HydrophobicContact CE2-CE1 4.5Å; Y159-F224 AromaticContact CD2-CE1 3.95Å; Y159-F224 HydrophobicContact CD2-CE1 3.95Å; Y159-F224 AromaticContact CD2-CZ 3.92Å; Y159-F224 HydrophobicContact CD2-CZ 3.92Å; Y159-F224 HydrophobicContact CE2-CE1 4.17Å; Y159-Y245 HydrophobicContact CE1-CD2 4.34Å; Y159-Y245 HydrophobicContact CE1-CE2 4.37Å; Y159-Y245 HydrophobicContact CE2-CD2 4.43Å; Y159-Y245 AromaticContact CZ-CD2 3.82Å; Y159-Y245 WeakPolarHBondContact OH-CD2 3.43Å; Y159-Y263 PolarHBondContact OH-N 3.26Å
160P86.5Confident87.4Confident40 Ų4042.9 Ų42.926%0.2622%0.224SC..SBendtrans-79.445.7-168.135.4-41.3000113.5F224 Y245P160-F224 HydrophobicContact CB-CB 4.42Å; P160-F224 HydrophobicContact CG-CB 3.83Å; P160-F224 HydrophobicContact CG-CD1 3.9Å; P160-F224 HydrophobicContact CG-CD2 4.3Å; P160-F224 HydrophobicContact CG-CG 3.76Å; P160-Y245 HydrophobicContact CB-CD1 4.13Å; P160-Y245 HydrophobicContact CB-CE1 4.06Å; P160-Y245 HydrophobicContact CG-CD1 3.39Å; P160-Y245 HydrophobicContact CG-CD2 4.09Å; P160-Y245 HydrophobicContact CG-CE1 3.74Å; P160-Y245 HydrophobicContact CG-CE2 4.39Å; P160-Y245 HydrophobicContact CG-CG 3.57Å; P160-Y245 VanDerWaalsContact O-CZ 3.27Å; P160-Y245 PolarHBondContact O-OH 2.86Å; P160-Y245 VanDerWaalsContact O-OH 3.14Å
161S81.5Confident87.9Confident7 Ų739.1 Ų39.15%0.04920%0.198CC..  trans-113.4130.5175.6-172.60000111.1Y159 D164Y159-S161 PolarHBondContact O-N 3.37Å; S161-D164 WeakPolarHBondContact OG-CB 3.46Å; S161-D164 VanDerWaalsContact OG-CG 3.23Å; S161-D164 PolarHBondContact OG-N 3.38Å; S161-D164 PolarHBondContact OG-OD2 3.46Å
162E71.1Confident88Confident155 Ų15538.9 Ų38.972%0.72420%0.196SC*.SBendtrans-92.9-25.1174.8-66.2-177.1-178.300112.6P98P98-E162 HydrophobicContact CB-CG 4.12Å
163T67.1Low88Confident133 Ų13334.2 Ų34.282%0.81618%0.179SC*.SBendtrans-95-27.4-173.851.90000113.4
164D69.2Low87.6Confident58 Ų5835.7 Ų35.731%0.3119%0.187SC..SBendtrans-86.3173.7-178.9-59-45.4000111.6S161S161-D164 WeakPolarHBondContact OG-CB 3.46Å; S161-D164 VanDerWaalsContact OG-CG 3.23Å; S161-D164 PolarHBondContact OG-N 3.38Å; S161-D164 PolarHBondContact OG-OD2 3.46Å
165E77.5Confident87.5Confident67 Ų6731.9 Ų31.931%0.31317%0.174SC..PPolyproline II helixtrans-57.1141.6168-69.1-179.8-161.200110.6H167 K183E165-H167 PolarHBondContact O-CE1 2.98Å; E165-H167 PolarHBondContact O-N 2.95Å; E165-H167 PolarHBondContact O-ND1 3.13Å; E165-K183 WeakPolarHBondContact OE1-CE 3.45Å; E165-K183 IonicContact OE1-NZ 3.29Å; E165-K183 PolarHBondContact OE1-NZ 2.86Å; E165-K183 WeakPolarHBondContact OE2-CD 3.42Å; E165-K183 WeakPolarHBondContact OE2-CE 3.25Å; E165-K183 IonicContact OE2-NZ 3.17Å
166P85.5Confident87.3Confident34 Ų3430.7 Ų30.722%0.22117%0.169CC..PPolyproline II helixtrans-69.8120178.927.6-34.7000110.4L102 W158 L182L102-P166 HydrophobicContact CD1-CB 4Å; L102-P166 HydrophobicContact CD1-CG 3.58Å; W158-P166 HydrophobicContact CE3-CB 4.3Å; W158-P166 HydrophobicContact CZ3-CB 3.89Å; P166-L182 HydrophobicContact CB-CD1 4.3Å; P166-L182 HydrophobicContact CG-CD1 3.75Å; P166-L182 HydrophobicContact CG-CG 4.27Å
167H89.6Confident87.2Confident2 Ų230.6 Ų30.61%0.00917%0.169CC..EExtended strand (participates in β ladder)trans-106.9140.2172.5-62.281.8000111.6Y159 E165 Y180 A181 Y263Y159-H167 PolarHBondContact N-O 3.41Å; E165-H167 PolarHBondContact O-CE1 2.98Å; E165-H167 PolarHBondContact O-N 2.95Å; E165-H167 PolarHBondContact O-ND1 3.13Å; H167-Y180 WeakPolarHBondContact CA-O 3.2Å; H167-A181 WeakPolarHBondContact NE2-CB 3.35Å; H167-Y263 AromaticContact CD2-CE2 3.68Å; H167-Y263 AromaticContact CD2-CZ 4Å; H167-Y263 AromaticContact CE1-CD1 3.74Å; H167-Y263 AromaticContact CE1-CD2 3.81Å; H167-Y263 AromaticContact CE1-CE1 3.27Å; H167-Y263 WeakPolarHBondContact CE1-CE1 3.44Å; H167-Y263 AromaticContact CE1-CE2 3.34Å; H167-Y263 WeakPolarHBondContact CE1-CE2 3.47Å; H167-Y263 AromaticContact CE1-CG 4Å; H167-Y263 AromaticContact CE1-CZ 3.05Å; H167-Y263 PolarHBondContact CE1-OH 3.42Å; H167-Y263 AromaticContact ND1-CE2 3.99Å; H167-Y263 AromaticContact NE2-CD2 3.93Å; H167-Y263 AromaticContact NE2-CE1 3.7Å; H167-Y263 AromaticContact NE2-CE2 3.09Å; H167-Y263 WeakPolarHBondContact NE2-CE2 3.35Å; H167-Y263 AromaticContact NE2-CZ 2.95Å; H167-Y263 PolarHBondContact NE2-OH 3.29Å
168L93.3Very high87Confident0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-105.1127.5173.3-162.165000109.6A104 V111 V113 V140 W158 L170 Y180A104-L168 HydrophobicContact CB-CD1 4.01Å; A104-L168 HydrophobicContact CB-CD2 4.27Å; V111-L168 HydrophobicContact CB-CD2 4.38Å; V111-L168 HydrophobicContact CG1-CD2 3.39Å; V113-L168 HydrophobicContact CG2-CD2 4.15Å; V140-L168 HydrophobicContact CG1-CD2 4.45Å; V140-L168 HydrophobicContact CG2-CD2 4.47Å; W158-L168 HydrophobicContact CD2-CD1 3.81Å; W158-L168 HydrophobicContact CE3-CB 4.49Å; W158-L168 HydrophobicContact CE3-CD1 3.92Å; W158-L168 HydrophobicContact CG-CD1 4.32Å; W158-L168 HydrophobicContact CH2-CD1 4.34Å; W158-L168 HydrophobicContact CZ2-CD1 4.26Å; W158-L168 HydrophobicContact CZ3-CB 4.32Å; W158-L168 HydrophobicContact CZ3-CD1 4.17Å; L168-L170 HydrophobicContact CD2-CD2 4.11Å; L168-L170 HydrophobicContact CG-CD2 3.96Å; L168-Y180 PolarHBondContact N-O 2.99Å; L168-Y180 PolarHBondContact O-N 3Å
169V94.7Very high86.9Confident0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-107.4123.9-176.3-173.10000108.4A156 A157 I177 R178 F179 F222 F224A156-V169 CarbonylContact C-O 3.54Å; A156-V169 VanDerWaalsContact CA-O 3.28Å; A156-V169 WeakPolarHBondContact CA-O 3.47Å; A157-V169 PolarHBondContact N-O 2.87Å; A157-V169 PolarHBondContact O-N 3.26Å; V169-I177 HydrophobicContact CG1-CG2 3.37Å; V169-R178 CarbonylContact C-O 3.43Å; V169-R178 WeakPolarHBondContact CA-O 3.46Å; V169-F179 HydrophobicContact CB-CD1 4.45Å; V169-F179 HydrophobicContact CB-CE1 4.47Å; V169-F179 HydrophobicContact CG1-CD1 4.29Å; V169-F179 HydrophobicContact CG1-CE1 4.02Å; V169-F179 HydrophobicContact CG1-CE2 4.36Å; V169-F179 HydrophobicContact CG1-CZ 4.04Å; V169-F179 HydrophobicContact CG2-CD1 3.45Å; V169-F179 VanDerWaalsContact CG2-CD1 3.45Å; V169-F179 HydrophobicContact CG2-CE1 3.58Å; V169-F179 HydrophobicContact CG2-CG 4.22Å; V169-F179 HydrophobicContact CG2-CZ 4.42Å; V169-F222 HydrophobicContact CB-CE2 4.25Å; V169-F222 HydrophobicContact CB-CZ 4.06Å; V169-F222 HydrophobicContact CG1-CE2 3.96Å; V169-F222 HydrophobicContact CG1-CZ 3.82Å; V169-F224 HydrophobicContact CB-CZ 4.49Å; V169-F224 HydrophobicContact CG1-CZ 4.47Å; V169-F224 HydrophobicContact CG2-CE2 4.26Å; V169-F224 HydrophobicContact CG2-CZ 3.99Å
170L95.7Very high87Confident2 Ų230.2 Ų30.21%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-119.3123.8-172.6-55.5-172.8000110.1V111 A141 F145 L153 A156 L168 I177 R178 Y180V111-L170 HydrophobicContact CG2-CD1 4.24Å; V111-L170 HydrophobicContact CG2-CD2 3.88Å; A141-L170 HydrophobicContact CB-CD1 4.2Å; F145-L170 HydrophobicContact CE2-CD1 4.39Å; L153-L170 HydrophobicContact CD1-CB 3.76Å; L153-L170 HydrophobicContact CD1-CD1 4.46Å; L153-L170 HydrophobicContact CD1-CD2 4.03Å; L153-L170 HydrophobicContact CD1-CG 4.3Å; A156-L170 HydrophobicContact CB-CD2 3.61Å; L168-L170 HydrophobicContact CD2-CD2 4.11Å; L168-L170 HydrophobicContact CG-CD2 3.96Å; L170-I177 CarbonylContact O-C 3.57Å; L170-I177 WeakPolarHBondContact O-CA 3.34Å; L170-R178 PolarHBondContact N-O 3.44Å; L170-R178 PolarHBondContact O-N 2.93Å; L170-Y180 HydrophobicContact CD1-CD2 3.71Å; L170-Y180 HydrophobicContact CD1-CE2 3.68Å; L170-Y180 HydrophobicContact CG-CD2 4.03Å; L170-Y180 HydrophobicContact CG-CE2 4.27Å
171L95.3Very high87.2Confident0 Ų028.5 Ų28.50%015%0.153CC..EExtended strand (participates in β ladder)trans-98.6121167.717463.3000109.2L153 R154 Q155 I177 A219 F222L153-L171 WeakPolarHBondContact CD1-O 3.44Å; R154-L171 HydrophobicContact CB-CD2 4.48Å; R154-L171 HydrophobicContact CB-CG 4.33Å; R154-L171 PolarHBondContact N-O 3.26Å; Q155-L171 HydrophobicContact CB-CB 4.38Å; Q155-L171 PolarHBondContact N-O 2.83Å; Q155-L171 PolarHBondContact O-N 3.39Å; L171-I177 HydrophobicContact CB-CG1 4.38Å; L171-I177 HydrophobicContact CD1-CG1 3.77Å; L171-A219 HydrophobicContact CD1-CB 3.95Å; L171-A219 HydrophobicContact CD2-CB 4.18Å; L171-F222 HydrophobicContact CB-CD1 3.68Å; L171-F222 HydrophobicContact CB-CE1 3.6Å; L171-F222 HydrophobicContact CD2-CD1 4.04Å; L171-F222 HydrophobicContact CG-CD1 4.47Å
172T93.6Very high87.5Confident1 Ų129.5 Ų29.51%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-117.1159.7-175.344.50000111.9F144 F145 V151 K152 L153 D174 N175 T176 R178F144-T172 HydrophobicContact CE1-CG2 4.23Å; F145-T172 HydrophobicContact CE1-CG2 4.24Å; F145-T172 HydrophobicContact CZ-CG2 4.15Å; V151-T172 HydrophobicContact CG1-CG2 4.11Å; K152-T172 CarbonylContact O-C 3.44Å; K152-T172 WeakPolarHBondContact O-CA 3.47Å; L153-T172 HydrophobicContact CD1-CG2 4Å; T172-D174 VanDerWaalsContact CB-OD1 3.26Å; T172-D174 WeakPolarHBondContact CB-OD1 3.49Å; T172-D174 PolarHBondContact O-N 2.86Å; T172-D174 PolarHBondContact OG1-OD1 2.87Å; T172-N175 PolarHBondContact O-N 2.98Å; T172-T176 PolarHBondContact N-O 3.16Å; T172-T176 PolarHBondContact OG1-O 3.39Å; T172-R178 PolarHBondContact OG1-NH1 3.13Å
173S90.2Very high88.3Confident26 Ų2629.8 Ų29.818%0.18216%0.157CC..THydrogen-bonded Turntrans-67.7-1.1-175.171.10000115.1V151 K152V151-S173 WeakPolarHBondContact CA-OG 3.4Å; K152-S173 PolarHBondContact N-OG 2.91Å; K152-S173 PolarHBondContact O-N 3.32Å
174D87.3Confident89.3Confident40 Ų4025.7 Ų25.721%0.21413%0.133CC..THydrogen-bonded Turntrans-91.218.8167.965.8-16.7000112.2V151 T172 T176 R178V151-D174 HydrophobicContact CG2-CB 4.45Å; T172-D174 VanDerWaalsContact CB-OD1 3.26Å; T172-D174 WeakPolarHBondContact CB-OD1 3.49Å; T172-D174 PolarHBondContact O-N 2.86Å; T172-D174 PolarHBondContact OG1-OD1 2.87Å; D174-T176 VanDerWaalsContact C-N 3.33Å; D174-T176 PolarHBondContact O-N 3.27Å; D174-T176 PolarHBondContact O-OG1 3.18Å; D174-R178 IonicContact OD1-CZ 3Å; D174-R178 IonicContact OD1-NH1 2.63Å; D174-R178 PolarHBondContact OD1-NH1 2.93Å; D174-R178 IonicContact OD2-CZ 2.68Å; D174-R178 VanDerWaalsContact OD2-CZ 3.28Å; D174-R178 IonicContact OD2-NH1 3.99Å; D174-R178 PolarHBondContact OD2-NH1 3.49Å; D174-R178 IonicContact OD2-NH2 2.95Å; D174-R178 PolarHBondContact OD2-NH2 3.45Å
175N89.1Confident90.3Very high16 Ų1623.9 Ų23.99%0.08613%0.125CC..THydrogen-bonded Turntrans5545.2176.2-151.528.4000113.2T172 V194 E217 I218 A219T172-N175 PolarHBondContact O-N 2.98Å; N175-V194 PolarHBondContact ND2-O 3.47Å; N175-V194 WeakPolarHBondContact O-CA 3.3Å; N175-V194 WeakPolarHBondContact O-CB 3.43Å; N175-V194 PolarHBondContact O-N 3.4Å; N175-E217 PolarHBondContact ND2-O 3Å; N175-I218 HydrophobicContact CB-CG2 4.18Å; N175-A219 VanDerWaalsContact OD1-CB 3.23Å; N175-A219 WeakPolarHBondContact OD1-CB 3.5Å; N175-A219 PolarHBondContact OD1-N 3.4Å
176T90.9Very high90.9Very high15 Ų1523.8 Ų23.89%0.09212%0.124CC..EExtended strand (participates in β ladder)trans-134.7136.1-177.5-58.10000109.9T172 D174 R178 V191T172-T176 PolarHBondContact N-O 3.16Å; T172-T176 PolarHBondContact OG1-O 3.39Å; D174-T176 VanDerWaalsContact C-N 3.33Å; D174-T176 PolarHBondContact O-N 3.27Å; D174-T176 PolarHBondContact O-OG1 3.18Å; T176-R178 HydrophobicContact CG2-CG 4Å; T176-V191 HydrophobicContact CG2-CG1 3.35Å
177I93.1Very high91.1Very high0 Ų026.2 Ų26.20%014%0.138CC..EExtended strand (participates in β ladder)trans-99125.5172.4-64.4175.5000109V169 L170 L171 F179 L192 V194 L247 I249V169-I177 HydrophobicContact CG1-CG2 3.37Å; L170-I177 CarbonylContact O-C 3.57Å; L170-I177 WeakPolarHBondContact O-CA 3.34Å; L171-I177 HydrophobicContact CB-CG1 4.38Å; L171-I177 HydrophobicContact CD1-CG1 3.77Å; I177-F179 HydrophobicContact CG2-CD2 4.46Å; I177-F179 HydrophobicContact CG2-CE2 3.82Å; I177-F179 HydrophobicContact CG2-CZ 4.25Å; I177-L192 HydrophobicContact CB-CB 4.3Å; I177-L192 PolarHBondContact N-O 2.89Å; I177-L192 PolarHBondContact O-N 3.24Å; I177-V194 HydrophobicContact CB-CG2 4.48Å; I177-V194 HydrophobicContact CD1-CG2 4.04Å; I177-V194 HydrophobicContact CG1-CG2 3.87Å; I177-L247 HydrophobicContact CD1-CD2 4.05Å; I177-L247 HydrophobicContact CG2-CD2 4.44Å; I177-I249 HydrophobicContact CD1-CD1 3.58Å; I177-I249 HydrophobicContact CD1-CG1 3.79Å; I177-I249 HydrophobicContact CD1-CG2 4.36Å
178R92.1Very high91.1Very high29 Ų2928.4 Ų28.411%0.10915%0.153CC..EExtended strand (participates in β ladder)trans-121.4132.1-176.9-63.8-177.6173.384.7-0.7111V169 L170 T172 D174 T176 Y180 P188 K190 V191V169-R178 CarbonylContact C-O 3.43Å; V169-R178 WeakPolarHBondContact CA-O 3.46Å; L170-R178 PolarHBondContact N-O 3.44Å; L170-R178 PolarHBondContact O-N 2.93Å; T172-R178 PolarHBondContact OG1-NH1 3.13Å; D174-R178 IonicContact OD1-CZ 3Å; D174-R178 IonicContact OD1-NH1 2.63Å; D174-R178 PolarHBondContact OD1-NH1 2.93Å; D174-R178 IonicContact OD2-CZ 2.68Å; D174-R178 VanDerWaalsContact OD2-CZ 3.28Å; D174-R178 IonicContact OD2-NH1 3.99Å; D174-R178 PolarHBondContact OD2-NH1 3.49Å; D174-R178 IonicContact OD2-NH2 2.95Å; D174-R178 PolarHBondContact OD2-NH2 3.45Å; T176-R178 HydrophobicContact CG2-CG 4Å; R178-Y180 HydrophobicContact CB-CD2 4.16Å; R178-Y180 HydrophobicContact CB-CE2 3.51Å; R178-Y180 HydrophobicContact CG-CE2 4.49Å; R178-P188 HydrophobicContact CB-CB 4.3Å; R178-K190 WeakPolarHBondContact CA-O 3.23Å; R178-V191 HydrophobicContact CG-CG1 4.32Å; R178-V191 HydrophobicContact CG-CG2 4.38Å
179F92Very high90.8Very high6 Ų631 Ų313%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-101.7121.5177.8-61.5-108.8000108.6Y159 V169 I177 P188 A189 K190 F224 L247 T261Y159-F179 HydrophobicContact CD2-CD1 4.47Å; Y159-F179 HydrophobicContact CD2-CE1 4.12Å; Y159-F179 HydrophobicContact CE2-CE1 4.5Å; V169-F179 HydrophobicContact CB-CD1 4.45Å; V169-F179 HydrophobicContact CB-CE1 4.47Å; V169-F179 HydrophobicContact CG1-CD1 4.29Å; V169-F179 HydrophobicContact CG1-CE1 4.02Å; V169-F179 HydrophobicContact CG1-CE2 4.36Å; V169-F179 HydrophobicContact CG1-CZ 4.04Å; V169-F179 HydrophobicContact CG2-CD1 3.45Å; V169-F179 VanDerWaalsContact CG2-CD1 3.45Å; V169-F179 HydrophobicContact CG2-CE1 3.58Å; V169-F179 HydrophobicContact CG2-CG 4.22Å; V169-F179 HydrophobicContact CG2-CZ 4.42Å; I177-F179 HydrophobicContact CG2-CD2 4.46Å; I177-F179 HydrophobicContact CG2-CE2 3.82Å; I177-F179 HydrophobicContact CG2-CZ 4.25Å; F179-P188 CarbonylContact O-C 3.58Å; F179-P188 WeakPolarHBondContact O-CA 3.33Å; F179-A189 PolarHBondContact O-N 2.82Å; F179-K190 HydrophobicContact CB-CB 4.01Å; F179-K190 HydrophobicContact CD2-CB 3.88Å; F179-K190 HydrophobicContact CD2-CD 3.93Å; F179-K190 HydrophobicContact CD2-CG 3.99Å; F179-K190 HydrophobicContact CE2-CD 4.07Å; F179-K190 HydrophobicContact CE2-CG 4.44Å; F179-K190 HydrophobicContact CG-CB 4.13Å; F179-K190 HydrophobicContact CG-CD 4.43Å; F179-K190 PolarHBondContact N-O 2.94Å; F179-K190 PolarHBondContact O-N 3.08Å; F179-F224 HydrophobicContact CE1-CZ 4.39Å; F179-L247 HydrophobicContact CZ-CD2 4.27Å; F179-T261 HydrophobicContact CZ-CG2 4.14Å
180Y92.1Very high90.3Very high4 Ų433.4 Ų33.42%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-112.5125.2178.4-72.9-90.6000110.3V140 A141 H167 L168 L170 R178 P185 P188V140-Y180 HydrophobicContact CG1-CD1 4.08Å; V140-Y180 HydrophobicContact CG1-CD2 4.25Å; V140-Y180 HydrophobicContact CG1-CG 3.73Å; A141-Y180 HydrophobicContact CB-CD1 4.38Å; A141-Y180 HydrophobicContact CB-CE1 3.73Å; A141-Y180 HydrophobicContact CB-CE2 3.93Å; A141-Y180 VanDerWaalsContact CB-CZ 3.47Å; H167-Y180 WeakPolarHBondContact CA-O 3.2Å; L168-Y180 PolarHBondContact N-O 2.99Å; L168-Y180 PolarHBondContact O-N 3Å; L170-Y180 HydrophobicContact CD1-CD2 3.71Å; L170-Y180 HydrophobicContact CD1-CE2 3.68Å; L170-Y180 HydrophobicContact CG-CD2 4.03Å; L170-Y180 HydrophobicContact CG-CE2 4.27Å; R178-Y180 HydrophobicContact CB-CD2 4.16Å; R178-Y180 HydrophobicContact CB-CE2 3.51Å; R178-Y180 HydrophobicContact CG-CE2 4.49Å; Y180-P185 WeakPolarHBondContact CD1-O 3.45Å; Y180-P188 HydrophobicContact CD1-CB 4.45Å; Y180-P188 HydrophobicContact CE1-CB 4.02Å; Y180-P188 HydrophobicContact CE1-CG 4.49Å; Y180-P188 HydrophobicContact CE2-CB 4.3Å
181A89.8Confident90Very high4 Ų436.8 Ų36.83%0.03321%0.205CC..EExtended strand (participates in β ladder)trans-84.8139.5169.300000109.4H167 K183 S184H167-A181 WeakPolarHBondContact NE2-CB 3.35Å; A181-K183 PolarHBondContact O-N 3.19Å; A181-S184 CarbonylContact O-C 3.2Å; A181-S184 PolarHBondContact O-N 3.06Å
182L88.5Confident89.7Confident27 Ų2737 Ų3714%0.14121%0.206CC..THydrogen-bonded Turntrans-68-19.2179.7-60.1-172.5000113.7L102 V113 V140 W158 P166 S184L102-L182 HydrophobicContact CD1-CD1 3.56Å; L102-L182 HydrophobicContact CD2-CD1 4.43Å; V113-L182 HydrophobicContact CB-CD2 4.33Å; V113-L182 HydrophobicContact CG1-CD1 4.08Å; V113-L182 HydrophobicContact CG2-CD2 3.89Å; V140-L182 HydrophobicContact CG2-CD2 4.09Å; W158-L182 HydrophobicContact CH2-CD1 4.23Å; W158-L182 HydrophobicContact CZ3-CD1 4.34Å; P166-L182 HydrophobicContact CB-CD1 4.3Å; P166-L182 HydrophobicContact CG-CD1 3.75Å; P166-L182 HydrophobicContact CG-CG 4.27Å; L182-S184 VanDerWaalsContact C-N 3.31Å
183K87.5Confident89.4Confident162 Ų16240 Ų4070%0.70423%0.226SC*.THydrogen-bonded Turntrans-68-30.7171.2-69.8-170.5178.2174.20112.9E165 A181E165-K183 WeakPolarHBondContact OE1-CE 3.45Å; E165-K183 IonicContact OE1-NZ 3.29Å; E165-K183 PolarHBondContact OE1-NZ 2.86Å; E165-K183 WeakPolarHBondContact OE2-CD 3.42Å; E165-K183 WeakPolarHBondContact OE2-CE 3.25Å; E165-K183 IonicContact OE2-NZ 3.17Å; A181-K183 PolarHBondContact O-N 3.19Å
184S88.5Confident89.2Confident46 Ų4638.9 Ų38.932%0.32222%0.218SC..SBendtrans-131.363.9-178.152.90000110.6A181 L182 H186 T187A181-S184 CarbonylContact O-C 3.2Å; A181-S184 PolarHBondContact O-N 3.06Å; L182-S184 VanDerWaalsContact C-N 3.31Å; S184-H186 PolarHBondContact O-N 3.06Å; S184-T187 PolarHBondContact O-N 3.26Å; S184-T187 PolarHBondContact O-OG1 3.11Å
185P89.8Confident88.7Confident20 Ų2039.9 Ų39.913%0.1323%0.228CC..THydrogen-bonded Turntrans-68.9-13-164.129.5-37.1000114.4I138 V140 A141 Y180I138-P185 HydrophobicContact CG2-CB 3.86Å; I138-P185 HydrophobicContact CG2-CG 3.89Å; V140-P185 HydrophobicContact CG2-CB 4.31Å; A141-P185 PolarHBondContact N-O 2.85Å; Y180-P185 WeakPolarHBondContact CD1-O 3.45Å
186H91.3Very high87.5Confident66 Ų6641.9 Ų41.931%0.30624%0.237SC..THydrogen-bonded Turntrans-98.9-13.9-179.5-58.4-56.2000114.2E142 S184E142-H186 IonicContact OE2-CE1 3.5Å; S184-H186 PolarHBondContact O-N 3.06Å
187T89.4Confident85.9Confident84 Ų8445.1 Ų45.152%0.51526%0.26SS..SBendtrans-119.1121.5-178.450.50000109S184 A189S184-T187 PolarHBondContact O-N 3.26Å; S184-T187 PolarHBondContact O-OG1 3.11Å; T187-A189 PolarHBondContact O-N 3.08Å
188P89.4Confident83.8Confident49 Ų4953.5 Ų53.532%0.31830%0.299SS..  trans-64.2130.4178.727.5-33000109.5R178 F179 Y180 V191R178-P188 HydrophobicContact CB-CB 4.3Å; F179-P188 CarbonylContact O-C 3.58Å; F179-P188 WeakPolarHBondContact O-CA 3.33Å; Y180-P188 HydrophobicContact CD1-CB 4.45Å; Y180-P188 HydrophobicContact CE1-CB 4.02Å; Y180-P188 HydrophobicContact CE1-CG 4.49Å; Y180-P188 HydrophobicContact CE2-CB 4.3Å; P188-V191 HydrophobicContact CB-CG2 3.81Å; P188-V191 HydrophobicContact CG-CG2 3.6Å
189A86.5Confident81.5Confident54 Ų5457.4 Ų57.445%0.44632%0.323SS..SBendtrans-66.5-31.617200000111.1F179 T187F179-A189 PolarHBondContact O-N 2.82Å; T187-A189 PolarHBondContact O-N 3.08Å
190K85.4Confident79.2Confident51 Ų5166.3 Ų66.322%0.22236%0.364CS..EExtended strand (participates in β ladder)trans-149.3145.4177.7-179.7-175.9173.3-163.90110.6R178 F179 S268R178-K190 WeakPolarHBondContact CA-O 3.23Å; F179-K190 HydrophobicContact CB-CB 4.01Å; F179-K190 HydrophobicContact CD2-CB 3.88Å; F179-K190 HydrophobicContact CD2-CD 3.93Å; F179-K190 HydrophobicContact CD2-CG 3.99Å; F179-K190 HydrophobicContact CE2-CD 4.07Å; F179-K190 HydrophobicContact CE2-CG 4.44Å; F179-K190 HydrophobicContact CG-CB 4.13Å; F179-K190 HydrophobicContact CG-CD 4.43Å; F179-K190 PolarHBondContact N-O 2.94Å; F179-K190 PolarHBondContact O-N 3.08Å; K190-S268 WeakPolarHBondContact CE-OG 3.19Å; K190-S268 PolarHBondContact NZ-OG 3.32Å
191V88.4Confident76.6Confident73 Ų7371.9 Ų71.944%0.44240%0.399SS..EExtended strand (participates in β ladder)trans-128.3125.8176.7-176.30000107.9T176 R178 P188T176-V191 HydrophobicContact CG2-CG1 3.35Å; R178-V191 HydrophobicContact CG-CG1 4.32Å; R178-V191 HydrophobicContact CG-CG2 4.38Å; P188-V191 HydrophobicContact CB-CG2 3.81Å; P188-V191 HydrophobicContact CG-CG2 3.6Å
192L88.3Confident74.2Confident3 Ų375.6 Ų75.62%0.01643%0.425CS..EExtended strand (participates in β ladder)trans-117.3102.7177.4178.667.4000107.9I177 L247 I249 S270 P272I177-L192 HydrophobicContact CB-CB 4.3Å; I177-L192 PolarHBondContact N-O 2.89Å; I177-L192 PolarHBondContact O-N 3.24Å; L192-L247 HydrophobicContact CD2-CD2 4.3Å; L192-I249 HydrophobicContact CD2-CD1 4.31Å; L192-S270 WeakPolarHBondContact CD1-O 3.4Å; L192-P272 HydrophobicContact CD1-CG 4.49Å; L192-P272 HydrophobicContact CD2-CG 4.48Å
193P87.9Confident71.9Confident66 Ų6679.7 Ų79.743%0.42946%0.455SS..EExtended strand (participates in β ladder)trans-68.3135.4172.528.7-31.9000109.3
194V85.1Confident69.5Low2 Ų279.2 Ų79.21%0.01246%0.459CS..  trans-113.112.2-179-159.80000110.8N175 I177 A219 I249 Y251 P272N175-V194 PolarHBondContact ND2-O 3.47Å; N175-V194 WeakPolarHBondContact O-CA 3.3Å; N175-V194 WeakPolarHBondContact O-CB 3.43Å; N175-V194 PolarHBondContact O-N 3.4Å; I177-V194 HydrophobicContact CB-CG2 4.48Å; I177-V194 HydrophobicContact CD1-CG2 4.04Å; I177-V194 HydrophobicContact CG1-CG2 3.87Å; V194-A219 HydrophobicContact CG1-CB 4.28Å; V194-I249 HydrophobicContact CG1-CD1 4.23Å; V194-I249 HydrophobicContact CG1-CG2 3.98Å; V194-I249 HydrophobicContact CG2-CD1 4.43Å; V194-Y251 HydrophobicContact CG1-CE1 4.46Å; V194-Y251 HydrophobicContact CG1-CE2 3.86Å; V194-Y251 WeakPolarHBondContact CG1-OH 3.45Å; V194-Y251 PolarHBondContact O-OH 3.5Å; V194-P272 HydrophobicContact CG1-CG 4.3Å
195S77.2Confident67Low61 Ų6184.9 Ų84.943%0.42748%0.481SS..  trans-75.4136.3175.150.90000111.6S197S195-S197 VanDerWaalsContact C-N 3.33Å; S195-S197 PolarHBondContact O-N 3.35Å
196Q64.3Low64.8Low58 Ų5889.5 Ų89.527%0.27151%0.51SS..  trans-82.78.2-174.3-59.8-170.67.100115.3E198 Y251 E255 Y257Q196-E198 PolarHBondContact O-N 2.87Å; Q196-Y251 HydrophobicContact CG-CE1 4.36Å; Q196-E255 PolarHBondContact NE2-OE2 3.4Å; Q196-Y257 PolarHBondContact NE2-OH 2.87Å
197S56.5Low62.6Low83 Ų8391.7 Ų91.758%0.5853%0.531SS*.  trans-64.7120.5-175.258.80000112.7S195 D199S195-S197 VanDerWaalsContact C-N 3.33Å; S195-S197 PolarHBondContact O-N 3.35Å; S197-D199 VanDerWaalsContact C-N 3.32Å
198E50.4Low60.5Low175 Ų17592.8 Ų92.882%0.81854%0.537SS*.  trans-78.7-10177.3-63.9-169.7144.200113.9Q196 E200Q196-E198 PolarHBondContact O-N 2.87Å; E198-E200 PolarHBondContact O-N 3.26Å
199D43.3Very low58.8Low112 Ų11296.3 Ų96.360%0.59954%0.544SS*.  trans-92.791.9-177-73.4-33.9000113S197 T201S197-D199 VanDerWaalsContact C-N 3.32Å; D199-T201 PolarHBondContact O-N 2.98Å
200E44.3Very low57.4Low193 Ų19397.3 Ų97.390%0.90255%0.548SS*.THydrogen-bonded Turntrans-63.9-3.5166.2-73.2-155.2151.300113.7E198E198-E200 PolarHBondContact O-N 3.26Å
201T37.7Very low56.4Low121 Ų121103.2 Ų103.274%0.74257%0.57SS**THydrogen-bonded Turntrans-92.9-7.3-17756.60000114.8D199D199-T201 PolarHBondContact O-N 2.98Å
202S38.1Very low55.5Low82 Ų82101.4 Ų101.457%0.57356%0.563SS**  trans-109.348.9-175-60.50000113.2L204S202-L204 PolarHBondContact O-N 2.71Å
203S39.7Very low54.7Low112 Ų112103.2 Ų103.278%0.78358%0.578SS**THydrogen-bonded Turntrans-77.421.1-176.241.10000115.6
204L37.1Very low54Low152 Ų152104.3 Ų104.380%0.79659%0.587SS**THydrogen-bonded Turntrans-122-7.7-175.2-75.2163.5000116S202S202-L204 PolarHBondContact O-N 2.71Å
205H36.7Very low53.7Low166 Ų166108.3 Ų108.377%0.76961%0.608SS**SBendtrans-136.2123.2175.6-68.7-60.4000111.6
206P42.8Very low53.8Low116 Ų116105.4 Ų105.475%0.75359%0.588SS**  trans-61.8130.1173.523.8-29.6000109.1V208P206-V208 PolarHBondContact O-N 2.74Å
207P45.4Very low54.7Low112 Ų112105.6 Ų105.673%0.72759%0.589SS**  trans-60134.918023.4-31.6000109.4R209P207-R209 PolarHBondContact O-N 2.99Å
208V45.9Very low56.3Low107 Ų107102.7 Ų102.765%0.64857%0.567SS**  trans-61.4104.1175.7178.50000107.2P206 S210 Y211P206-V208 PolarHBondContact O-N 2.74Å; V208-S210 PolarHBondContact O-N 3.3Å; V208-Y211 PolarHBondContact O-N 2.97Å
209R52.8Low58.3Low123 Ų12394.4 Ų94.446%0.46453%0.528SS..THydrogen-bonded Turntrans-47-14.5-178.7-68.8-175.4-177.9174.71.3115.3S150 P207 A213S150-R209 PolarHBondContact O-NH1 3.35Å; P207-R209 PolarHBondContact O-N 2.99Å; R209-A213 WeakPolarHBondContact O-CB 3.36Å
210S57.8Low60.7Low75 Ų7590.3 Ų90.352%0.52451%0.507SS..Hα-helixtrans-68.7-32-173.7-161.50000114.5V208 S214V208-S210 PolarHBondContact O-N 3.3Å; S210-S214 PolarHBondContact O-OG 2.92Å
211Y63.7Low63.1Low175 Ų17581.3 Ų81.369%0.68647%0.465SS*.Hα-helixtrans-84.9-49.8-174.7-72-76.9000112.6V208 A213 S214 L215V208-Y211 PolarHBondContact O-N 2.97Å; Y211-A213 PolarHBondContact O-N 3.32Å; Y211-S214 WeakPolarHBondContact O-CB 3.37Å; Y211-S214 PolarHBondContact O-N 2.91Å; Y211-L215 PolarHBondContact O-N 2.9Å; Y211-L215 VanDerWaalsContact O-N 3.14Å
212A70.4Confident65.9Low36 Ų3675.5 Ų75.530%0.29843%0.43SS..Hα-helixtrans-57.9-36.2176.700000112.6S214 L215 G216 E217A212-S214 VanDerWaalsContact C-N 3.34Å; A212-S214 PolarHBondContact O-N 2.97Å; A212-L215 CarbonylContact O-C 3.6Å; A212-L215 PolarHBondContact O-N 3.28Å; A212-G216 PolarHBondContact O-N 3.21Å; A212-E217 HydrophobicContact CB-CB 4.13Å; A212-E217 PolarHBondContact O-N 3.43Å
213A72.1Confident68.6Low41 Ų4172.7 Ų72.734%0.33941%0.408SS..Hα-helixtrans-61.5-40.2172.500000113.3R209 Y211 L215 G216 I218R209-A213 WeakPolarHBondContact O-CB 3.36Å; Y211-A213 PolarHBondContact O-N 3.32Å; A213-L215 PolarHBondContact O-N 2.87Å; A213-G216 PolarHBondContact O-N 3.44Å; A213-I218 HydrophobicContact CB-CD1 3.49Å; A213-I218 VanDerWaalsContact CB-CD1 3.49Å; A213-I218 HydrophobicContact CB-CG1 4.39Å
214S72.4Confident71.2Confident89 Ų8967.7 Ų67.762%0.62237%0.372SS*.Hα-helixtrans-74.2-18.8-178.8-54.10000112.3S210 Y211 A212S210-S214 PolarHBondContact O-OG 2.92Å; Y211-S214 WeakPolarHBondContact O-CB 3.37Å; Y211-S214 PolarHBondContact O-N 2.91Å; A212-S214 VanDerWaalsContact C-N 3.34Å; A212-S214 PolarHBondContact O-N 2.97Å
215L79Confident73.7Confident86 Ų8660.8 Ų60.845%0.4534%0.338SS..THydrogen-bonded Turntrans-98.85.6176.5-62.7175000112.7Y211 A212 A213 E217 Y288Y211-L215 PolarHBondContact O-N 2.9Å; Y211-L215 VanDerWaalsContact O-N 3.14Å; A212-L215 CarbonylContact O-C 3.6Å; A212-L215 PolarHBondContact O-N 3.28Å; A213-L215 PolarHBondContact O-N 2.87Å; L215-E217 HydrophobicContact CB-CG 3.86Å; L215-E217 PolarHBondContact O-N 3.33Å; L215-E217 VanDerWaalsContact O-N 3.15Å; L215-Y288 VanDerWaalsContact C-CE1 3.48Å; L215-Y288 WeakPolarHBondContact O-CE1 3.27Å
216G78.4Confident76Confident0 Ų055.2 Ų55.20%032%0.318CS..THydrogen-bonded Turntrans64.314.1-177.900000114.3A212 A213 I218 E252 N253A212-G216 PolarHBondContact O-N 3.21Å; A213-G216 PolarHBondContact O-N 3.44Å; G216-I218 PolarHBondContact O-N 3Å; G216-E252 WeakPolarHBondContact O-CB 3.29Å; G216-E252 PolarHBondContact O-N 3.2Å; G216-N253 PolarHBondContact O-N 3.27Å; G216-N253 VanDerWaalsContact O-N 3.09Å
217E84.7Confident78Confident62 Ų6252.5 Ų52.529%0.2931%0.305SS..  trans-79.229.7-179-64.2174.7177.700112.3N175 A212 L215 Y251N175-E217 PolarHBondContact ND2-O 3Å; A212-E217 HydrophobicContact CB-CB 4.13Å; A212-E217 PolarHBondContact O-N 3.43Å; L215-E217 HydrophobicContact CB-CG 3.86Å; L215-E217 PolarHBondContact O-N 3.33Å; L215-E217 VanDerWaalsContact O-N 3.15Å; E217-Y251 VanDerWaalsContact C-CD1 3.41Å; E217-Y251 WeakPolarHBondContact O-CE1 3.37Å
218I89.3Confident79.3Confident22 Ų2249.4 Ų49.411%0.11329%0.286CS..SBendtrans-114.1128.7175.7-37.3175.8000110.2R154 N175 A213 G216 V220 E252R154-I218 VanDerWaalsContact CZ-CG2 3.44Å; R154-I218 VanDerWaalsContact NH1-CB 3.34Å; N175-I218 HydrophobicContact CB-CG2 4.18Å; A213-I218 HydrophobicContact CB-CD1 3.49Å; A213-I218 VanDerWaalsContact CB-CD1 3.49Å; A213-I218 HydrophobicContact CB-CG1 4.39Å; G216-I218 PolarHBondContact O-N 3Å; I218-V220 PolarHBondContact O-N 3.08Å; I218-E252 PolarHBondContact O-N 3.29Å; I218-E252 VanDerWaalsContact O-N 3.11Å
219A92.6Very high80.3Confident0 Ų046.6 Ų46.60%028%0.278CS..EExtended strand (participates in β ladder)trans-61.1122.317400000111R154 L171 N175 V194 I249 L250 Y251R154-A219 WeakPolarHBondContact CD-O 3.27Å; R154-A219 PolarHBondContact NH1-O 2.84Å; L171-A219 HydrophobicContact CD1-CB 3.95Å; L171-A219 HydrophobicContact CD2-CB 4.18Å; N175-A219 VanDerWaalsContact OD1-CB 3.23Å; N175-A219 WeakPolarHBondContact OD1-CB 3.5Å; N175-A219 PolarHBondContact OD1-N 3.4Å; V194-A219 HydrophobicContact CG1-CB 4.28Å; A219-I249 HydrophobicContact CB-CG2 3.66Å; A219-L250 CarbonylContact C-O 3.53Å; A219-L250 WeakPolarHBondContact CA-O 3.46Å; A219-Y251 HydrophobicContact CB-CE2 4.47Å
220V92.9Very high80.7Confident27 Ų2742.2 Ų42.216%0.16427%0.266CS..EExtended strand (participates in β ladder)trans-97.3-38.9-179.2-69.70000111.6I218 L250 E252 A290I218-V220 PolarHBondContact O-N 3.08Å; V220-L250 HydrophobicContact CG2-CB 4.34Å; V220-L250 HydrophobicContact CG2-CD2 4.06Å; V220-L250 HydrophobicContact CG2-CG 3.9Å; V220-L250 WeakPolarHBondContact CG2-O 3.25Å; V220-L250 PolarHBondContact N-O 3.45Å; V220-E252 HydrophobicContact CG1-CB 3.65Å; V220-E252 HydrophobicContact CG1-CG 4.23Å; V220-A290 WeakPolarHBondContact CG2-O 3.45Å
221A95.1Very high81.1Confident3 Ų339.3 Ų39.33%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-148160.7-174.100000112.8Q155 L250 V293Q155-A221 VanDerWaalsContact OE1-CB 3.31Å; A221-L250 HydrophobicContact CB-CB 4.49Å; A221-L250 PolarHBondContact N-O 2.94Å; A221-L250 PolarHBondContact O-N 3.42Å; A221-V293 HydrophobicContact CB-CG1 3.94Å
222F96.3Very high81.1Confident0 Ų037.2 Ų37.20%024%0.236CC..EExtended strand (participates in β ladder)trans-146.9156172.171.9-92.5000111.6Q155 A157 V169 L171 F224 L247 Y248 I249Q155-F222 HydrophobicContact CB-CD1 4.3Å; Q155-F222 HydrophobicContact CB-CE1 4.04Å; Q155-F222 HydrophobicContact CG-CD1 4.36Å; Q155-F222 HydrophobicContact CG-CE1 4.06Å; Q155-F222 PolarHBondContact NE2-O 3.42Å; Q155-F222 PolarHBondContact OE1-O 3.23Å; A157-F222 HydrophobicContact CB-CE2 3.63Å; A157-F222 HydrophobicContact CB-CZ 3.76Å; V169-F222 HydrophobicContact CB-CE2 4.25Å; V169-F222 HydrophobicContact CB-CZ 4.06Å; V169-F222 HydrophobicContact CG1-CE2 3.96Å; V169-F222 HydrophobicContact CG1-CZ 3.82Å; L171-F222 HydrophobicContact CB-CD1 3.68Å; L171-F222 HydrophobicContact CB-CE1 3.6Å; L171-F222 HydrophobicContact CD2-CD1 4.04Å; L171-F222 HydrophobicContact CG-CD1 4.47Å; F222-F224 HydrophobicContact CD2-CE2 4.47Å; F222-F224 AromaticContact CE2-CE2 3.96Å; F222-F224 HydrophobicContact CE2-CE2 3.96Å; F222-L247 HydrophobicContact CB-CD1 4.01Å; F222-L247 HydrophobicContact CD2-CD1 3.39Å; F222-L247 HydrophobicContact CE2-CD1 4.16Å; F222-L247 HydrophobicContact CG-CD1 4.04Å; F222-Y248 CarbonylContact C-O 3.53Å; F222-Y248 WeakPolarHBondContact CA-O 3.49Å; F222-Y248 VanDerWaalsContact CB-O 3.29Å; F222-Y248 WeakPolarHBondContact CB-O 3.27Å; F222-I249 HydrophobicContact CB-CG1 4.42Å
223D95.9Very high80.6Confident22 Ų2239 Ų3912%0.11824%0.238CC..EExtended strand (participates in β ladder)trans-149.8153.6170.8-162.213.6000112.2Y248 V293 L294 C295 R370D223-Y248 PolarHBondContact N-O 2.91Å; D223-Y248 PolarHBondContact O-N 3.41Å; D223-V293 HydrophobicContact CB-CG1 4.19Å; D223-L294 WeakPolarHBondContact OD2-CA 3.27Å; D223-L294 WeakPolarHBondContact OD2-CD1 3.43Å; D223-C295 PolarHBondContact OD2-N 3.22Å; D223-R370 IonicContact OD1-CZ 2.65Å; D223-R370 IonicContact OD1-NH2 2.81Å; D223-R370 PolarHBondContact OD1-NH2 3.43Å; D223-R370 IonicContact OD2-CZ 3.83Å; D223-R370 IonicContact OD2-NE 3.1Å; D223-R370 IonicContact OD2-NH2 3.01Å; D223-R370 PolarHBondContact OD2-NH2 2.9Å
224F93.3Very high80Confident8 Ų837.8 Ų37.84%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-92.7131.7177.5-69.4-82.1000111.1Y159 P160 V169 F179 F222 P246 L247 R370Y159-F224 AromaticContact CD2-CE1 3.95Å; Y159-F224 HydrophobicContact CD2-CE1 3.95Å; Y159-F224 AromaticContact CD2-CZ 3.92Å; Y159-F224 HydrophobicContact CD2-CZ 3.92Å; Y159-F224 HydrophobicContact CE2-CE1 4.17Å; P160-F224 HydrophobicContact CB-CB 4.42Å; P160-F224 HydrophobicContact CG-CB 3.83Å; P160-F224 HydrophobicContact CG-CD1 3.9Å; P160-F224 HydrophobicContact CG-CD2 4.3Å; P160-F224 HydrophobicContact CG-CG 3.76Å; V169-F224 HydrophobicContact CB-CZ 4.49Å; V169-F224 HydrophobicContact CG1-CZ 4.47Å; V169-F224 HydrophobicContact CG2-CE2 4.26Å; V169-F224 HydrophobicContact CG2-CZ 3.99Å; F179-F224 HydrophobicContact CE1-CZ 4.39Å; F222-F224 HydrophobicContact CD2-CE2 4.47Å; F222-F224 AromaticContact CE2-CE2 3.96Å; F222-F224 HydrophobicContact CE2-CE2 3.96Å; F224-P246 WeakPolarHBondContact CA-O 3.47Å; F224-L247 HydrophobicContact CD1-CB 4.32Å; F224-L247 HydrophobicContact CD1-CD1 4.11Å; F224-L247 HydrophobicContact CE1-CB 4.17Å; F224-L247 HydrophobicContact CE1-CD1 3.84Å; F224-L247 HydrophobicContact CE1-CG 4.43Å; F224-L247 HydrophobicContact CE2-CD1 4.26Å; F224-L247 HydrophobicContact CG-CD1 4.43Å; F224-L247 HydrophobicContact CZ-CD1 3.9Å; F224-R370 PolarHBondContact O-NH2 2.84Å
225G89.3Confident79.4Confident7 Ų736 Ų367%0.07222%0.217CC..  trans-84.1176.6167.400000113.2P246 C295G225-P246 PolarHBondContact N-O 2.95Å; G225-C295 VanDerWaalsContact CA-SG 3.52Å
226S86.8Confident78.4Confident49 Ų4936.7 Ų36.734%0.34324%0.235SC..  trans-62.2149.7179.5-59.40000111.9S228 P246S226-S228 PolarHBondContact O-N 3.19Å; S226-P246 WeakPolarHBondContact O-CD 3.25Å
227A83.2Confident77.3Confident58 Ų5843.1 Ų43.148%0.47927%0.265SS..  trans-56.7124.8176.100000110.7P243 F244 Y245A227-P243 HydrophobicContact CB-CB 4.02Å; A227-F244 WeakPolarHBondContact CA-O 3.3Å; A227-Y245 HydrophobicContact CB-CD1 4.15Å; A227-Y245 HydrophobicContact CB-CE1 3.58Å
228S73.9Confident76Confident47 Ų4741 Ų4133%0.32926%0.257SS..BIsolated β-bridgetrans-114.9167.6175.971.10000110.8S226 F244S226-S228 PolarHBondContact O-N 3.19Å; S228-F244 PolarHBondContact N-O 2.86Å; S228-F244 PolarHBondContact O-N 3.45Å; S228-F244 PolarHBondContact OG-O 3.31Å
229G65.6Low74.4Confident48 Ų4843.1 Ų43.150%0.49527%0.274SS..SBendtrans-60.5171162.300000111.9
230P61.9Low72.7Confident31 Ų3152.5 Ų52.520%0.20131%0.314CS..PPolyproline II helixtrans-58.4136.8176.324.8-33000110.3C238 F244P230-C238 HydrophobicContact CB-CB 4.26Å; P230-F244 HydrophobicContact CB-CD2 3.95Å; P230-F244 HydrophobicContact CB-CE2 3.77Å
231P65.9Low71Confident14 Ų1458.6 Ų58.69%0.09135%0.346CS..PPolyproline II helixtrans-60.4153175.527.5-35.5000109.8Q233 L234 A235 Y260P231-Q233 PolarHBondContact O-N 3.45Å; P231-L234 HydrophobicContact CG-CB 3.95Å; P231-L234 HydrophobicContact CG-CD1 3.79Å; P231-L234 HydrophobicContact CG-CG 3.96Å; P231-L234 CarbonylContact O-C 3.57Å; P231-L234 PolarHBondContact O-N 2.99Å; P231-A235 PolarHBondContact O-N 3.39Å; P231-Y260 HydrophobicContact CB-CD1 4.12Å; P231-Y260 HydrophobicContact CB-CD2 3.81Å; P231-Y260 HydrophobicContact CB-CE1 4.29Å; P231-Y260 HydrophobicContact CB-CE2 4Å; P231-Y260 HydrophobicContact CB-CG 3.87Å; P231-Y260 HydrophobicContact CG-CD1 4.2Å; P231-Y260 HydrophobicContact CG-CD2 3.96Å; P231-Y260 HydrophobicContact CG-CG 3.71Å
232R63.2Low69.6Low131 Ų13160.8 Ų60.849%0.49436%0.356SS..THydrogen-bonded Turntrans-49.7-38.5-176.5-62-175.4-169.4-176.73.2112.7L234 A235 E319 E322R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 2.94Å; R232-A235 WeakPolarHBondContact O-CB 3.49Å; R232-A235 PolarHBondContact O-N 3.08Å; R232-E319 IonicContact CZ-OE2 3.95Å; R232-E319 IonicContact NE-OE2 3.28Å; R232-E319 PolarHBondContact NE-OE2 3.46Å; R232-E319 IonicContact NH2-OE2 3.47Å; R232-E319 PolarHBondContact NH2-OE2 3.13Å; R232-E322 IonicContact NH1-OE1 3.08Å
233Q60.3Low68.5Low74 Ų7463.7 Ų63.735%0.34637%0.374SS..THydrogen-bonded Turntrans-61.3-33.9176.8-63.3174.6-21.200114.1P231 E331P231-Q233 PolarHBondContact O-N 3.45Å; Q233-E331 VanDerWaalsContact NE2-CD 3.3Å; Q233-E331 PolarHBondContact NE2-OE2 3.49Å
234L59.6Low67.9Low16 Ų1662.6 Ų62.68%0.08437%0.369CS..THydrogen-bonded Turntrans-104.7-5.7-178.3-61176.2000112.9P231 R232 A236 Q237 C238 F244 V269P231-L234 HydrophobicContact CG-CB 3.95Å; P231-L234 HydrophobicContact CG-CD1 3.79Å; P231-L234 HydrophobicContact CG-CG 3.96Å; P231-L234 CarbonylContact O-C 3.57Å; P231-L234 PolarHBondContact O-N 2.99Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 2.94Å; L234-A236 PolarHBondContact O-N 3.4Å; L234-Q237 PolarHBondContact O-N 2.9Å; L234-C238 PolarHBondContact O-N 3.37Å; L234-C238 VanDerWaalsContact O-N 3.16Å; L234-F244 HydrophobicContact CD1-CD1 4.44Å; L234-F244 HydrophobicContact CD1-CE1 3.73Å; L234-F244 HydrophobicContact CD1-CZ 4.34Å; L234-V269 HydrophobicContact CD1-CG2 4.12Å
235A60.3Low67.6Low52 Ų5263.8 Ų63.843%0.4337%0.373SS..THydrogen-bonded Turntrans-60.8-29.2-178.200000112.9P231 R232P231-A235 PolarHBondContact O-N 3.39Å; R232-A235 WeakPolarHBondContact O-CB 3.49Å; R232-A235 PolarHBondContact O-N 3.08Å
236A57.6Low67.6Low99 Ų9963.7 Ų63.782%0.81837%0.371SS*.THydrogen-bonded Turntrans-75.8-20.3175.200000113.8L234L234-A236 PolarHBondContact O-N 3.4Å
237Q55.4Low67.9Low135 Ų13561.4 Ų61.463%0.63136%0.355SS*.THydrogen-bonded Turntrans-108-8.9-172.1-62.7-178.99.500113.5L234L234-Q237 PolarHBondContact O-N 2.9Å
238C57Low68.5Low18 Ų1859 Ų5912%0.12233%0.333CS..SBendtrans-121.5147.8-171.7-67.20000113.2P230 L234 F244P230-C238 HydrophobicContact CB-CB 4.26Å; L234-C238 PolarHBondContact O-N 3.37Å; L234-C238 VanDerWaalsContact O-N 3.16Å; C238-F244 HydrophobicContact CB-CE2 4.33Å; C238-F244 HydrophobicContact CB-CZ 4.41Å
239S56.4Low69.5Low67 Ų6756.7 Ų56.747%0.46932%0.318SS..  trans-68138.9170.862.20000110.9N241 Q242S239-N241 PolarHBondContact O-N 2.93Å; S239-Q242 PolarHBondContact O-N 2.84Å
240K56.4Low70.9Confident197 Ų19754.4 Ų54.486%0.85729%0.294SS*.THydrogen-bonded Turntrans-58.8-6.6-175.1-66.9-174.5177.2-175.50116.6
241N56.9Low72.4Confident154 Ų15453.1 Ų53.182%0.82429%0.285SS*.THydrogen-bonded Turntrans-1098.4-171.5-71.2-1.2000114.9S239S239-N241 PolarHBondContact O-N 2.93Å
242Q66.2Low73.6Confident50 Ų5055.3 Ų55.323%0.23429%0.294CS..  trans-100.3130.5-178.5-76.7176.9-18.400112.1S239S239-Q242 PolarHBondContact O-N 2.84Å
243P74.5Confident74.9Confident60 Ų6050 Ų5039%0.3928%0.276SS..  trans-74.5131.6177.529.7-32.6000110.8A227 Y245 S262A227-P243 HydrophobicContact CB-CB 4.02Å; P243-Y245 HydrophobicContact CB-CE2 4.28Å; P243-S262 PolarHBondContact O-OG 2.93Å
244F81.9Confident76.3Confident0 Ų046.8 Ų46.80%026%0.262CS..BIsolated β-bridgetrans-106.9140.5166.6-78.4-101000108.9A227 S228 P230 L234 C238 S262A227-F244 WeakPolarHBondContact CA-O 3.3Å; S228-F244 PolarHBondContact N-O 2.86Å; S228-F244 PolarHBondContact O-N 3.45Å; S228-F244 PolarHBondContact OG-O 3.31Å; P230-F244 HydrophobicContact CB-CD2 3.95Å; P230-F244 HydrophobicContact CB-CE2 3.77Å; L234-F244 HydrophobicContact CD1-CD1 4.44Å; L234-F244 HydrophobicContact CD1-CE1 3.73Å; L234-F244 HydrophobicContact CD1-CZ 4.34Å; C238-F244 HydrophobicContact CB-CE2 4.33Å; C238-F244 HydrophobicContact CB-CZ 4.41Å; F244-S262 VanDerWaalsContact CE1-CB 3.43Å
245Y87.8Confident77.9Confident33 Ų3348.1 Ų48.113%0.12927%0.268CS..EExtended strand (participates in β ladder)trans-110.1119.8175.2-63.8-86000109.4Y159 P160 A227 P243 L247 T261Y159-Y245 HydrophobicContact CE1-CD2 4.34Å; Y159-Y245 HydrophobicContact CE1-CE2 4.37Å; Y159-Y245 HydrophobicContact CE2-CD2 4.43Å; Y159-Y245 AromaticContact CZ-CD2 3.82Å; Y159-Y245 WeakPolarHBondContact OH-CD2 3.43Å; P160-Y245 HydrophobicContact CB-CD1 4.13Å; P160-Y245 HydrophobicContact CB-CE1 4.06Å; P160-Y245 HydrophobicContact CG-CD1 3.39Å; P160-Y245 HydrophobicContact CG-CD2 4.09Å; P160-Y245 HydrophobicContact CG-CE1 3.74Å; P160-Y245 HydrophobicContact CG-CE2 4.39Å; P160-Y245 HydrophobicContact CG-CG 3.57Å; P160-Y245 VanDerWaalsContact O-CZ 3.27Å; P160-Y245 PolarHBondContact O-OH 2.86Å; P160-Y245 VanDerWaalsContact O-OH 3.14Å; A227-Y245 HydrophobicContact CB-CD1 4.15Å; A227-Y245 HydrophobicContact CB-CE1 3.58Å; P243-Y245 HydrophobicContact CB-CE2 4.28Å; Y245-L247 PolarHBondContact O-N 2.89Å; Y245-T261 PolarHBondContact N-O 3.43Å; Y245-T261 PolarHBondContact O-N 3.19Å; Y245-T261 PolarHBondContact O-OG1 3.5Å
246P89.7Confident79.5Confident5 Ų545.7 Ų45.73%0.03225%0.248CC..EExtended strand (participates in β ladder)trans-68.8127170.428.3-31.2000109F224 G225 S226 Y248 V258 Y260F224-P246 WeakPolarHBondContact CA-O 3.47Å; G225-P246 PolarHBondContact N-O 2.95Å; S226-P246 WeakPolarHBondContact O-CD 3.25Å; P246-Y248 HydrophobicContact CB-CE2 4.04Å; P246-Y248 HydrophobicContact CG-CE2 4.13Å; P246-V258 HydrophobicContact CB-CG2 4.01Å; P246-Y260 HydrophobicContact CB-CD1 4.15Å; P246-Y260 HydrophobicContact CB-CE1 3.89Å
247L92.6Very high81.1Confident0 Ų041.9 Ų41.90%021%0.212CC..EExtended strand (participates in β ladder)trans-104.9105174.8174.663.5000107.6I177 F179 L192 F222 F224 Y245 I249 V258 S259 T261I177-L247 HydrophobicContact CD1-CD2 4.05Å; I177-L247 HydrophobicContact CG2-CD2 4.44Å; F179-L247 HydrophobicContact CZ-CD2 4.27Å; L192-L247 HydrophobicContact CD2-CD2 4.3Å; F222-L247 HydrophobicContact CB-CD1 4.01Å; F222-L247 HydrophobicContact CD2-CD1 3.39Å; F222-L247 HydrophobicContact CE2-CD1 4.16Å; F222-L247 HydrophobicContact CG-CD1 4.04Å; F224-L247 HydrophobicContact CD1-CB 4.32Å; F224-L247 HydrophobicContact CD1-CD1 4.11Å; F224-L247 HydrophobicContact CE1-CB 4.17Å; F224-L247 HydrophobicContact CE1-CD1 3.84Å; F224-L247 HydrophobicContact CE1-CG 4.43Å; F224-L247 HydrophobicContact CE2-CD1 4.26Å; F224-L247 HydrophobicContact CG-CD1 4.43Å; F224-L247 HydrophobicContact CZ-CD1 3.9Å; Y245-L247 PolarHBondContact O-N 2.89Å; L247-I249 HydrophobicContact CD2-CD1 4.45Å; L247-I249 HydrophobicContact CG-CD1 4.49Å; L247-I249 HydrophobicContact CG-CG1 4.1Å; L247-V258 CarbonylContact O-C 2.86Å; L247-V258 WeakPolarHBondContact O-CA 3.4Å; L247-S259 WeakPolarHBondContact CB-O 3.48Å; L247-S259 PolarHBondContact N-O 3.12Å; L247-S259 PolarHBondContact O-N 3.36Å; L247-T261 HydrophobicContact CB-CG2 4.4Å; L247-T261 HydrophobicContact CD2-CG2 4.36Å
248Y94.5Very high82.8Confident7 Ų735.5 Ų35.53%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-84131.6174.7-61.3-80.4000109.2F222 D223 P246 T256 Y257 V258 L276 C295 L303 V317F222-Y248 CarbonylContact C-O 3.53Å; F222-Y248 WeakPolarHBondContact CA-O 3.49Å; F222-Y248 VanDerWaalsContact CB-O 3.29Å; F222-Y248 WeakPolarHBondContact CB-O 3.27Å; D223-Y248 PolarHBondContact N-O 2.91Å; D223-Y248 PolarHBondContact O-N 3.41Å; P246-Y248 HydrophobicContact CB-CE2 4.04Å; P246-Y248 HydrophobicContact CG-CE2 4.13Å; Y248-T256 HydrophobicContact CD1-CG2 4.4Å; Y248-Y257 CarbonylContact C-O 3.32Å; Y248-Y257 WeakPolarHBondContact CA-O 3.34Å; Y248-V258 HydrophobicContact CD1-CB 4.21Å; Y248-V258 HydrophobicContact CD1-CG2 4.06Å; Y248-V258 HydrophobicContact CE1-CB 4.29Å; Y248-V258 HydrophobicContact CE1-CG2 3.91Å; Y248-L276 HydrophobicContact CD1-CD1 4.22Å; Y248-L276 HydrophobicContact CE1-CD1 4.28Å; Y248-C295 HydrophobicContact CD2-CB 4.34Å; Y248-L303 HydrophobicContact CD1-CD2 4.5Å; Y248-L303 HydrophobicContact CD2-CD1 4.09Å; Y248-L303 HydrophobicContact CG-CD1 3.96Å; Y248-V317 HydrophobicContact CE1-CG1 4.33Å; Y248-V317 HydrophobicContact CE1-CG2 4.34Å
249I95.4Very high84.3Confident0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-123.9118-176.1-52166.9000107.6I177 L192 V194 A219 F222 L247 Y251 T256 Y257 P272I177-I249 HydrophobicContact CD1-CD1 3.58Å; I177-I249 HydrophobicContact CD1-CG1 3.79Å; I177-I249 HydrophobicContact CD1-CG2 4.36Å; L192-I249 HydrophobicContact CD2-CD1 4.31Å; V194-I249 HydrophobicContact CG1-CD1 4.23Å; V194-I249 HydrophobicContact CG1-CG2 3.98Å; V194-I249 HydrophobicContact CG2-CD1 4.43Å; A219-I249 HydrophobicContact CB-CG2 3.66Å; F222-I249 HydrophobicContact CB-CG1 4.42Å; L247-I249 HydrophobicContact CD2-CD1 4.45Å; L247-I249 HydrophobicContact CG-CD1 4.49Å; L247-I249 HydrophobicContact CG-CG1 4.1Å; I249-Y251 HydrophobicContact CG2-CD2 4.47Å; I249-Y251 HydrophobicContact CG2-CE2 4.12Å; I249-T256 CarbonylContact O-C 3.28Å; I249-T256 WeakPolarHBondContact O-CA 3.35Å; I249-Y257 PolarHBondContact N-O 2.9Å; I249-Y257 PolarHBondContact O-N 3.13Å; I249-P272 HydrophobicContact CD1-CB 4.29Å; I249-P272 HydrophobicContact CD1-CG 4.08Å
250L95.6Very high85.7Confident0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-98.7135-179.7177.568000110A219 V220 A221 A290 A292 V293 I305A219-L250 CarbonylContact C-O 3.53Å; A219-L250 WeakPolarHBondContact CA-O 3.46Å; V220-L250 HydrophobicContact CG2-CB 4.34Å; V220-L250 HydrophobicContact CG2-CD2 4.06Å; V220-L250 HydrophobicContact CG2-CG 3.9Å; V220-L250 WeakPolarHBondContact CG2-O 3.25Å; V220-L250 PolarHBondContact N-O 3.45Å; A221-L250 HydrophobicContact CB-CB 4.49Å; A221-L250 PolarHBondContact N-O 2.94Å; A221-L250 PolarHBondContact O-N 3.42Å; L250-A290 HydrophobicContact CD1-CB 4.22Å; L250-A290 HydrophobicContact CD2-CB 4.11Å; L250-A290 HydrophobicContact CG-CB 4.25Å; L250-A292 WeakPolarHBondContact CD2-O 3.04Å; L250-V293 HydrophobicContact CB-CB 3.98Å; L250-V293 HydrophobicContact CB-CG1 4.08Å; L250-V293 HydrophobicContact CD2-CB 3.97Å; L250-I305 HydrophobicContact CD1-CD1 4.36Å; L250-I305 HydrophobicContact CD1-CG2 3.9Å; L250-I305 HydrophobicContact CD2-CG2 3.94Å
251Y93.8Very high86.7Confident4 Ų423.7 Ų23.72%0.01612%0.12CC..EExtended strand (participates in β ladder)trans-102.4158.4174.5-73.4-116.9000110.9V194 Q196 E217 A219 I249 N253 G254 E255 Y257 A290V194-Y251 HydrophobicContact CG1-CE1 4.46Å; V194-Y251 HydrophobicContact CG1-CE2 3.86Å; V194-Y251 WeakPolarHBondContact CG1-OH 3.45Å; V194-Y251 PolarHBondContact O-OH 3.5Å; Q196-Y251 HydrophobicContact CG-CE1 4.36Å; E217-Y251 VanDerWaalsContact C-CD1 3.41Å; E217-Y251 WeakPolarHBondContact O-CE1 3.37Å; A219-Y251 HydrophobicContact CB-CE2 4.47Å; I249-Y251 HydrophobicContact CG2-CD2 4.47Å; I249-Y251 HydrophobicContact CG2-CE2 4.12Å; Y251-N253 WeakPolarHBondContact CB-OD1 3.44Å; Y251-N253 PolarHBondContact O-N 3.48Å; Y251-G254 PolarHBondContact O-N 3.02Å; Y251-E255 WeakPolarHBondContact CB-O 3.28Å; Y251-E255 PolarHBondContact N-O 3.01Å; Y251-Y257 AromaticContact CD2-CD2 3.68Å; Y251-Y257 HydrophobicContact CD2-CD2 3.68Å; Y251-Y257 HydrophobicContact CD2-CE2 4.04Å; Y251-Y257 AromaticContact CE2-CD2 3.22Å; Y251-Y257 HydrophobicContact CE2-CD2 3.22Å; Y251-Y257 AromaticContact CE2-CE2 3.67Å; Y251-Y257 HydrophobicContact CE2-CE2 3.67Å; Y251-Y257 AromaticContact CE2-CG 3.99Å; Y251-Y257 HydrophobicContact CE2-CG 3.99Å; Y251-Y257 AromaticContact CZ-CD2 3.92Å; Y251-Y257 AromaticContact CZ-CE2 3.98Å; Y251-A290 WeakPolarHBondContact O-CB 3.31Å
252E91.1Very high87.6Confident59 Ų5916.8 Ų16.828%0.2768%0.084SC..THydrogen-bonded Turntrans-60.6-31.5-178.1-171.3168.5-160.300112.4G216 I218 V220 G254 Y288 D289 A290G216-E252 WeakPolarHBondContact O-CB 3.29Å; G216-E252 PolarHBondContact O-N 3.2Å; I218-E252 PolarHBondContact O-N 3.29Å; I218-E252 VanDerWaalsContact O-N 3.11Å; V220-E252 HydrophobicContact CG1-CB 3.65Å; V220-E252 HydrophobicContact CG1-CG 4.23Å; E252-G254 PolarHBondContact O-N 2.94Å; E252-Y288 CarbonylContact O-C 3.6Å; E252-Y288 VanDerWaalsContact O-C 3.27Å; E252-Y288 VanDerWaalsContact O-CA 3.31Å; E252-Y288 WeakPolarHBondContact O-CA 3.33Å; E252-D289 PolarHBondContact O-N 3.49Å; E252-A290 PolarHBondContact O-N 3.5Å
253N90.7Very high87.4Confident20 Ų2018.5 Ų18.511%0.1079%0.089CC..THydrogen-bonded Turntrans-74.42174.867.5-2.7000114.8G216 Y251 E255 G287 Y288G216-N253 PolarHBondContact O-N 3.27Å; G216-N253 VanDerWaalsContact O-N 3.09Å; Y251-N253 WeakPolarHBondContact CB-OD1 3.44Å; Y251-N253 PolarHBondContact O-N 3.48Å; N253-E255 VanDerWaalsContact C-N 3.32Å; N253-E255 PolarHBondContact ND2-OE2 3.39Å; N253-E255 VanDerWaalsContact OD1-CB 3.27Å; N253-E255 WeakPolarHBondContact OD1-CB 3.29Å; N253-E255 WeakPolarHBondContact OD1-CG 3.48Å; N253-E255 PolarHBondContact OD1-N 3.35Å; N253-G287 CarbonylContact C-O 3.58Å; N253-G287 WeakPolarHBondContact CA-O 3.44Å; N253-G287 PolarHBondContact O-N 3.02Å; N253-G287 VanDerWaalsContact O-O 3.12Å; N253-Y288 HydrophobicContact CB-CE1 4.46Å
254G89.1Confident86.5Confident6 Ų618.7 Ų18.76%0.06210%0.096CC..SBendtrans86.3-7.1-177.300000114.8Y251 E252 T256 G287Y251-G254 PolarHBondContact O-N 3.02Å; E252-G254 PolarHBondContact O-N 2.94Å; G254-T256 PolarHBondContact O-N 3.49Å; G254-G287 PolarHBondContact N-O 3.05Å
255E92.3Very high85.1Confident44 Ų4421.3 Ų21.321%0.20611%0.111CC..  trans-66.8135.9176.4-66.7179.9149.600111.2Q196 Y251 N253 Y257 P275 Y286Q196-E255 PolarHBondContact NE2-OE2 3.4Å; Y251-E255 WeakPolarHBondContact CB-O 3.28Å; Y251-E255 PolarHBondContact N-O 3.01Å; N253-E255 VanDerWaalsContact C-N 3.32Å; N253-E255 PolarHBondContact ND2-OE2 3.39Å; N253-E255 VanDerWaalsContact OD1-CB 3.27Å; N253-E255 WeakPolarHBondContact OD1-CB 3.29Å; N253-E255 WeakPolarHBondContact OD1-CG 3.48Å; N253-E255 PolarHBondContact OD1-N 3.35Å; E255-Y257 HydrophobicContact CB-CE2 4.03Å; E255-P275 HydrophobicContact CB-CB 4.17Å; E255-P275 HydrophobicContact CG-CB 4.17Å; E255-Y286 HydrophobicContact CG-CD1 4.46Å
256T93.8Very high83.5Confident1 Ų123 Ų231%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-113139.6174.8-59.50000109.8Y248 I249 G254 P275 L276 L303 L336Y248-T256 HydrophobicContact CD1-CG2 4.4Å; I249-T256 CarbonylContact O-C 3.28Å; I249-T256 WeakPolarHBondContact O-CA 3.35Å; G254-T256 PolarHBondContact O-N 3.49Å; T256-P275 CarbonylContact O-C 3.59Å; T256-P275 WeakPolarHBondContact O-CA 3.37Å; T256-L276 HydrophobicContact CG2-CD1 3.87Å; T256-L276 HydrophobicContact CG2-CG 4.36Å; T256-L276 WeakPolarHBondContact O-CG 3.42Å; T256-L276 PolarHBondContact O-N 2.83Å; T256-L303 HydrophobicContact CG2-CD2 3.85Å; T256-L336 HydrophobicContact CG2-CD1 4.4Å
257Y92.3Very high81.7Confident19 Ų1925.7 Ų25.78%0.07515%0.153CC..EExtended strand (participates in β ladder)trans-122.5156.4173.2-72-105.7000109.7Q196 Y248 I249 Y251 E255 P272 A273 G274 P275Q196-Y257 PolarHBondContact NE2-OH 2.87Å; Y248-Y257 CarbonylContact C-O 3.32Å; Y248-Y257 WeakPolarHBondContact CA-O 3.34Å; I249-Y257 PolarHBondContact N-O 2.9Å; I249-Y257 PolarHBondContact O-N 3.13Å; Y251-Y257 AromaticContact CD2-CD2 3.68Å; Y251-Y257 HydrophobicContact CD2-CD2 3.68Å; Y251-Y257 HydrophobicContact CD2-CE2 4.04Å; Y251-Y257 AromaticContact CE2-CD2 3.22Å; Y251-Y257 HydrophobicContact CE2-CD2 3.22Å; Y251-Y257 AromaticContact CE2-CE2 3.67Å; Y251-Y257 HydrophobicContact CE2-CE2 3.67Å; Y251-Y257 AromaticContact CE2-CG 3.99Å; Y251-Y257 HydrophobicContact CE2-CG 3.99Å; Y251-Y257 AromaticContact CZ-CD2 3.92Å; Y251-Y257 AromaticContact CZ-CE2 3.98Å; E255-Y257 HydrophobicContact CB-CE2 4.03Å; Y257-P272 HydrophobicContact CD1-CB 4.17Å; Y257-P272 HydrophobicContact CG-CB 4.38Å; Y257-A273 CarbonylContact C-O 3.57Å; Y257-A273 WeakPolarHBondContact CA-O 3.48Å; Y257-G274 VanDerWaalsContact CD1-CA 3.44Å; Y257-G274 WeakPolarHBondContact CE1-O 3.38Å; Y257-P275 HydrophobicContact CE2-CB 4.06Å; Y257-P275 WeakPolarHBondContact OH-CD 3.2Å
258V90.6Very high80Confident1 Ų126.9 Ų26.91%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-123.3135.6176.169.20000111.1P246 L247 Y248 Y260 A273 L276 V333 P334P246-V258 HydrophobicContact CB-CG2 4.01Å; L247-V258 CarbonylContact O-C 2.86Å; L247-V258 WeakPolarHBondContact O-CA 3.4Å; Y248-V258 HydrophobicContact CD1-CB 4.21Å; Y248-V258 HydrophobicContact CD1-CG2 4.06Å; Y248-V258 HydrophobicContact CE1-CB 4.29Å; Y248-V258 HydrophobicContact CE1-CG2 3.91Å; V258-Y260 HydrophobicContact CG1-CE2 4.24Å; V258-Y260 HydrophobicContact CG2-CE2 4.28Å; V258-A273 HydrophobicContact CG1-CB 4.2Å; V258-A273 PolarHBondContact N-O 3.4Å; V258-A273 PolarHBondContact O-N 3.05Å; V258-L276 HydrophobicContact CB-CD2 4.48Å; V258-L276 HydrophobicContact CG1-CD2 4Å; V258-V333 HydrophobicContact CG1-CG1 4.31Å; V258-P334 HydrophobicContact CG1-CG 4.09Å
259S88.6Confident78.2Confident0 Ų027.8 Ų27.80%017%0.167CC..EExtended strand (participates in β ladder)trans-126.2131.6170.3-175.80000109.6L247L247-S259 WeakPolarHBondContact CB-O 3.48Å; L247-S259 PolarHBondContact N-O 3.12Å; L247-S259 PolarHBondContact O-N 3.36Å
260Y85.1Confident76.5Confident33 Ų3332.6 Ų32.613%0.12920%0.201CC..EExtended strand (participates in β ladder)trans-90.8119.8176.2-65.3-85.9000109.7P231 P246 V258P231-Y260 HydrophobicContact CB-CD1 4.12Å; P231-Y260 HydrophobicContact CB-CD2 3.81Å; P231-Y260 HydrophobicContact CB-CE1 4.29Å; P231-Y260 HydrophobicContact CB-CE2 4Å; P231-Y260 HydrophobicContact CB-CG 3.87Å; P231-Y260 HydrophobicContact CG-CD1 4.2Å; P231-Y260 HydrophobicContact CG-CD2 3.96Å; P231-Y260 HydrophobicContact CG-CG 3.71Å; P246-Y260 HydrophobicContact CB-CD1 4.15Å; P246-Y260 HydrophobicContact CB-CE1 3.89Å; V258-Y260 HydrophobicContact CG1-CE2 4.24Å; V258-Y260 HydrophobicContact CG2-CE2 4.28Å
261T78.5Confident75.5Confident2 Ų237.8 Ų37.81%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-115.6129.3-176.764.10000110.6F179 Y245 L247F179-T261 HydrophobicContact CZ-CG2 4.14Å; Y245-T261 PolarHBondContact N-O 3.43Å; Y245-T261 PolarHBondContact O-N 3.19Å; Y245-T261 PolarHBondContact O-OG1 3.5Å; L247-T261 HydrophobicContact CB-CG2 4.4Å; L247-T261 HydrophobicContact CD2-CG2 4.36Å
262S74.9Confident75Confident8 Ų838.3 Ų38.36%0.05623%0.228CC..  trans-127.7132.6165.2-171.40000109P243 F244P243-S262 PolarHBondContact O-OG 2.93Å; F244-S262 VanDerWaalsContact CE1-CB 3.43Å
263Y61.8Low74.8Confident87 Ų8736.1 Ų36.134%0.34122%0.22SC..SBendtrans-84.7-31-179.4-173.2-101.3000112.4Y159 H167 T265 G266Y159-Y263 PolarHBondContact OH-N 3.26Å; H167-Y263 AromaticContact CD2-CE2 3.68Å; H167-Y263 AromaticContact CD2-CZ 4Å; H167-Y263 AromaticContact CE1-CD1 3.74Å; H167-Y263 AromaticContact CE1-CD2 3.81Å; H167-Y263 AromaticContact CE1-CE1 3.27Å; H167-Y263 WeakPolarHBondContact CE1-CE1 3.44Å; H167-Y263 AromaticContact CE1-CE2 3.34Å; H167-Y263 WeakPolarHBondContact CE1-CE2 3.47Å; H167-Y263 AromaticContact CE1-CG 4Å; H167-Y263 AromaticContact CE1-CZ 3.05Å; H167-Y263 PolarHBondContact CE1-OH 3.42Å; H167-Y263 AromaticContact ND1-CE2 3.99Å; H167-Y263 AromaticContact NE2-CD2 3.93Å; H167-Y263 AromaticContact NE2-CE1 3.7Å; H167-Y263 AromaticContact NE2-CE2 3.09Å; H167-Y263 WeakPolarHBondContact NE2-CE2 3.35Å; H167-Y263 AromaticContact NE2-CZ 2.95Å; H167-Y263 PolarHBondContact NE2-OH 3.29Å; Y263-T265 PolarHBondContact O-N 3.32Å; Y263-T265 VanDerWaalsContact O-N 3.12Å; Y263-G266 PolarHBondContact O-N 2.83Å
264A57.4Low74.4Confident64 Ų6436.6 Ų36.653%0.52923%0.229SC..THydrogen-bonded Turntrans-62.6-24.1-172.100000114.6
265T50.9Low74.4Confident54 Ų5439.2 Ų39.233%0.33125%0.245SC..THydrogen-bonded Turntrans-118.7-6-172.244.40000113.8Y263 L267Y263-T265 PolarHBondContact O-N 3.32Å; Y263-T265 VanDerWaalsContact O-N 3.12Å; T265-L267 PolarHBondContact O-N 2.9Å
266G54.8Low74.4Confident69 Ų6937.1 Ų37.171%0.71124%0.235SC*.SBendtrans61.94.6-168.200000113.9Y263Y263-G266 PolarHBondContact O-N 2.83Å
267L51.6Low74.2Confident61 Ų6139 Ų3932%0.31925%0.247SC..  trans-86.4124.3-179.3-85.4150.6000109.4T265T265-L267 PolarHBondContact O-N 2.9Å
268S56.9Low74.2Confident25 Ų2538.5 Ų38.518%0.17525%0.246CC..BIsolated β-bridgetrans-141.1148.4173.8-176.10000107.1K190 S270K190-S268 WeakPolarHBondContact CE-OG 3.19Å; K190-S268 PolarHBondContact NZ-OG 3.32Å; S268-S270 PolarHBondContact O-N 3.32Å
269V57.3Low74.2Confident26 Ų2641.9 Ų41.916%0.15826%0.259CS..  trans-60.2123.7159.1-167.70000106.5L234 K271L234-V269 HydrophobicContact CD1-CG2 4.12Å; V269-K271 VanDerWaalsContact C-N 3.28Å; V269-K271 WeakPolarHBondContact CG1-O 3.44Å; V269-K271 PolarHBondContact O-N 2.87Å
270S58.5Low74.2Confident102 Ų10246.4 Ų46.471%0.71329%0.288SS*.SBendtrans-71.2-24.7-172.150.10000112.6L192 S268L192-S270 WeakPolarHBondContact CD1-O 3.4Å; S268-S270 PolarHBondContact O-N 3.32Å
271K74.8Confident74.3Confident109 Ų10949.2 Ų49.247%0.47432%0.318SS..SBendtrans-119.8137.4175.3-161.1173.6-178.2-178.60109.5V269V269-K271 VanDerWaalsContact C-N 3.28Å; V269-K271 WeakPolarHBondContact CG1-O 3.44Å; V269-K271 PolarHBondContact O-N 2.87Å
272P84.4Confident74.6Confident15 Ų1551 Ų5110%0.09733%0.333CS..  trans-59.5136.5170.4-20.332.3000110.7L192 V194 I249 Y257L192-P272 HydrophobicContact CD1-CG 4.49Å; L192-P272 HydrophobicContact CD2-CG 4.48Å; V194-P272 HydrophobicContact CG1-CG 4.3Å; I249-P272 HydrophobicContact CD1-CB 4.29Å; I249-P272 HydrophobicContact CD1-CG 4.08Å; Y257-P272 HydrophobicContact CD1-CB 4.17Å; Y257-P272 HydrophobicContact CG-CB 4.38Å
273A85.9Confident74.8Confident13 Ų1359.8 Ų59.811%0.10737%0.373CS..BIsolated β-bridgetrans-84.8133.1174.100000109.8Y257 V258 V333Y257-A273 CarbonylContact C-O 3.57Å; Y257-A273 WeakPolarHBondContact CA-O 3.48Å; V258-A273 HydrophobicContact CG1-CB 4.2Å; V258-A273 PolarHBondContact N-O 3.4Å; V258-A273 PolarHBondContact O-N 3.05Å; A273-V333 HydrophobicContact CB-CG1 3.84Å
274G82.9Confident75.7Confident29 Ų2960.2 Ų60.230%0.29938%0.381SS..  trans152.3-175.6-177.100000112.5Y257Y257-G274 VanDerWaalsContact CD1-CA 3.44Å; Y257-G274 WeakPolarHBondContact CE1-O 3.38Å
275P89.2Confident76.8Confident61 Ų6157.7 Ų57.740%0.39636%0.359SS..PPolyproline II helixcis-71.5146.97.629.4-34.1000112.4E255 T256 Y257 P277E255-P275 HydrophobicContact CB-CB 4.17Å; E255-P275 HydrophobicContact CG-CB 4.17Å; T256-P275 CarbonylContact O-C 3.59Å; T256-P275 WeakPolarHBondContact O-CA 3.37Å; Y257-P275 HydrophobicContact CE2-CB 4.06Å; Y257-P275 WeakPolarHBondContact OH-CD 3.2Å; P275-P277 WeakPolarHBondContact O-CD 3.46Å
276L91.4Very high78.5Confident1 Ų159.9 Ų59.91%0.00536%0.362CS..PPolyproline II helixtrans-74.5118.7175.2-53.2-172000108.7Y248 T256 V258 M278 V333 P334 L336Y248-L276 HydrophobicContact CD1-CD1 4.22Å; Y248-L276 HydrophobicContact CE1-CD1 4.28Å; T256-L276 HydrophobicContact CG2-CD1 3.87Å; T256-L276 HydrophobicContact CG2-CG 4.36Å; T256-L276 WeakPolarHBondContact O-CG 3.42Å; T256-L276 PolarHBondContact O-N 2.83Å; V258-L276 HydrophobicContact CB-CD2 4.48Å; V258-L276 HydrophobicContact CG1-CD2 4Å; L276-M278 PolarHBondContact O-N 3.37Å; L276-V333 HydrophobicContact CD2-CB 4.37Å; L276-V333 HydrophobicContact CD2-CG1 3.32Å; L276-P334 HydrophobicContact CD2-CG 3.97Å; L276-P334 WeakPolarHBondContact CD2-O 3.48Å; L276-L336 HydrophobicContact CB-CD1 4.08Å; L276-L336 HydrophobicContact CB-CG 3.85Å; L276-L336 HydrophobicContact CD1-CD1 4.4Å; L276-L336 HydrophobicContact CD1-CD2 3.95Å; L276-L336 HydrophobicContact CD1-CG 4.09Å
277P91.1Very high79.9Confident40 Ų4057.8 Ų57.826%0.2634%0.34SS..PPolyproline II helixtrans-68.6133-178.927.3-33.5000111P275 Y279 A335 L336P275-P277 WeakPolarHBondContact O-CD 3.46Å; P277-Y279 HydrophobicContact CB-CE2 3.89Å; P277-Y279 HydrophobicContact CG-CE2 3.85Å; P277-A335 HydrophobicContact CG-CB 3.95Å; P277-L336 PolarHBondContact O-N 2.99Å
278M91.6Very high81.6Confident8 Ų862.2 Ų62.24%0.03935%0.354CS..EExtended strand (participates in β ladder)trans-88.7130.4172.8-67177.274.900111.8L276 N285 Y286 Y313 L336 V338L276-M278 PolarHBondContact O-N 3.37Å; M278-N285 HydrophobicContact CB-CB 4.23Å; M278-N285 HydrophobicContact CE-CB 4.04Å; M278-N285 HydrophobicContact SD-CB 3.99Å; M278-Y286 PolarHBondContact N-OH 3.18Å; M278-Y286 HydrophobicContact SD-CE1 4.18Å; M278-Y313 HydrophobicContact CE-CD1 4.26Å; M278-Y313 HydrophobicContact CE-CG 4.48Å; M278-L336 CarbonylContact C-O 3.43Å; M278-L336 VanDerWaalsContact CA-O 3.25Å; M278-L336 WeakPolarHBondContact CA-O 3.35Å; M278-L336 HydrophobicContact CG-CB 3.93Å; M278-L336 HydrophobicContact CG-CD1 4.02Å; M278-V338 HydrophobicContact CB-CG2 4.27Å; M278-V338 HydrophobicContact CE-CG2 3.47Å; M278-V338 VanDerWaalsContact CE-CG2 3.47Å
279Y90.3Very high83.2Confident73 Ų7363 Ų6329%0.28636%0.356SS..EExtended strand (participates in β ladder)trans-122.8141.7177.8-67.3-72.7000111.9P277 R328 A335 L336 Y337 V338P277-Y279 HydrophobicContact CB-CE2 3.89Å; P277-Y279 HydrophobicContact CG-CE2 3.85Å; Y279-R328 PolarHBondContact OH-NH1 2.95Å; Y279-A335 HydrophobicContact CD2-CB 3.9Å; Y279-A335 HydrophobicContact CE2-CB 3.78Å; Y279-L336 PolarHBondContact N-O 3.18Å; Y279-Y337 HydrophobicContact CD2-CE1 4.2Å; Y279-Y337 HydrophobicContact CG-CE1 4.29Å; Y279-Y337 CarbonylContact O-C 3.27Å; Y279-Y337 WeakPolarHBondContact O-CA 3.07Å; Y279-V338 PolarHBondContact O-N 3.03Å
280P89.1Confident84.9Confident95 Ų9562 Ų6262%0.61735%0.351SS*.SBendcis-64.3152.3-8.830.3-35.4000110.9A282 N285P280-A282 PolarHBondContact O-N 3.01Å; P280-N285 PolarHBondContact O-ND2 3.07Å
281A86.7Confident86.6Confident92 Ų9258.2 Ų58.276%0.7632%0.324SS*.  trans-65.3121.3175.600000109.1
282A84.3Confident87.5Confident38 Ų3853.7 Ų53.731%0.31431%0.307SS..  trans-139149.1179.200000109.3P280 D284 N285P280-A282 PolarHBondContact O-N 3.01Å; A282-D284 WeakPolarHBondContact CB-OD1 3.29Å; A282-D284 PolarHBondContact O-N 3.02Å; A282-N285 PolarHBondContact N-ND2 3.06Å; A282-N285 WeakPolarHBondContact O-CB 3.47Å; A282-N285 PolarHBondContact O-N 3.29Å
283E79.3Confident88.1Confident194 Ų19453.4 Ų53.491%0.90731%0.305SS*.G310 helixtrans-67.3-28.8-176.6-66.1-174.417100112.1N285E283-N285 VanDerWaalsContact C-N 3.35Å
284D80.5Confident88.6Confident95 Ų9553.3 Ų53.351%0.50830%0.302SS..G310 helixtrans-83.8-3.7178.763.1-34.3000113.7A282 Y286 Y313A282-D284 WeakPolarHBondContact CB-OD1 3.29Å; A282-D284 PolarHBondContact O-N 3.02Å; D284-Y286 VanDerWaalsContact C-N 3.26Å; D284-Y286 PolarHBondContact O-N 3.31Å; D284-Y313 PolarHBondContact O-OH 2.88Å
285N82.3Confident89.2Confident12 Ų1252 Ų526%0.06429%0.288CS..G310 helixtrans-69.6-25.2174.8-74.5-16.6000112.7M278 P280 A282 E283M278-N285 HydrophobicContact CB-CB 4.23Å; M278-N285 HydrophobicContact CE-CB 4.04Å; M278-N285 HydrophobicContact SD-CB 3.99Å; P280-N285 PolarHBondContact O-ND2 3.07Å; A282-N285 PolarHBondContact N-ND2 3.06Å; A282-N285 WeakPolarHBondContact O-CB 3.47Å; A282-N285 PolarHBondContact O-N 3.29Å; E283-N285 VanDerWaalsContact C-N 3.35Å
286Y85.1Confident89.3Confident100 Ų10049.1 Ų49.139%0.39227%0.27SS..SBendtrans-124.1133-176.9-55.3-80.9000109.4E255 M278 D284E255-Y286 HydrophobicContact CG-CD1 4.46Å; M278-Y286 PolarHBondContact N-OH 3.18Å; M278-Y286 HydrophobicContact SD-CE1 4.18Å; D284-Y286 VanDerWaalsContact C-N 3.26Å; D284-Y286 PolarHBondContact O-N 3.31Å
287G84.9Confident89Confident25 Ų2552.5 Ų52.526%0.25829%0.292SS..  trans-164167-174.800000109.9N253 G254 D289N253-G287 CarbonylContact C-O 3.58Å; N253-G287 WeakPolarHBondContact CA-O 3.44Å; N253-G287 PolarHBondContact O-N 3.02Å; N253-G287 VanDerWaalsContact O-O 3.12Å; G254-G287 PolarHBondContact N-O 3.05Å; G287-D289 VanDerWaalsContact C-N 3.31Å; G287-D289 PolarHBondContact O-N 3.25Å
288Y86.7Confident88.6Confident154 Ų15451 Ų5160%0.60428%0.283SS*.THydrogen-bonded Turntrans-94.521.7-175.2-62.6-85.7000113.6L215 E252 N253L215-Y288 VanDerWaalsContact C-CE1 3.48Å; L215-Y288 WeakPolarHBondContact O-CE1 3.27Å; E252-Y288 CarbonylContact O-C 3.6Å; E252-Y288 VanDerWaalsContact O-C 3.27Å; E252-Y288 VanDerWaalsContact O-CA 3.31Å; E252-Y288 WeakPolarHBondContact O-CA 3.33Å; N253-Y288 HydrophobicContact CB-CE1 4.46Å
289D90.8Very high88.2Confident40 Ų4054.4 Ų54.421%0.21431%0.312CS..THydrogen-bonded Turntrans-125.213.3-171.769.3-26.3000112.5E252 G287 C291 T307 E308 T309E252-D289 PolarHBondContact O-N 3.49Å; G287-D289 VanDerWaalsContact C-N 3.31Å; G287-D289 PolarHBondContact O-N 3.25Å; D289-C291 PolarHBondContact O-N 2.75Å; D289-T307 CarbonylContact O-C 3.6Å; D289-T307 WeakPolarHBondContact O-CA 3.38Å; D289-T307 WeakPolarHBondContact O-CB 3.37Å; D289-T307 WeakPolarHBondContact OD2-CB 3.43Å; D289-E308 HydrophobicContact CB-CB 4.35Å; D289-E308 WeakPolarHBondContact O-CG 3.46Å; D289-E308 PolarHBondContact O-N 3.07Å; D289-T309 WeakPolarHBondContact OD2-CB 3.29Å; D289-T309 WeakPolarHBondContact OD2-CG2 3.43Å; D289-T309 PolarHBondContact OD2-OG1 3.41Å
290A93Very high88Confident6 Ų652.4 Ų52.45%0.0531%0.307CS..EExtended strand (participates in β ladder)trans-66.6131.6175.100000110.4V220 L250 Y251 E252V220-A290 WeakPolarHBondContact CG2-O 3.45Å; L250-A290 HydrophobicContact CD1-CB 4.22Å; L250-A290 HydrophobicContact CD2-CB 4.11Å; L250-A290 HydrophobicContact CG-CB 4.25Å; Y251-A290 WeakPolarHBondContact O-CB 3.31Å; E252-A290 PolarHBondContact O-N 3.5Å
291C93.6Very high88Confident23 Ų2349 Ų4916%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-131.5-27.4-171.171.40000115.3D289 A306 T307 E308 P365 I366D289-C291 PolarHBondContact O-N 2.75Å; C291-A306 PolarHBondContact N-O 2.74Å; C291-A306 PolarHBondContact SG-O 2.91Å; C291-T307 VanDerWaalsContact SG-C 3.59Å; C291-E308 HydrophobicContact CB-CG 3.73Å; C291-P365 HydrophobicContact CB-CB 4.49Å; C291-I366 PolarHBondContact SG-N 3.47Å
292A95.4Very high88.3Confident13 Ų1344.6 Ų44.611%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-148.3150.9179.900000112.8L250 A306 I366 L368L250-A292 WeakPolarHBondContact CD2-O 3.04Å; A292-A306 HydrophobicContact CB-CB 4.31Å; A292-A306 PolarHBondContact N-O 3.44Å; A292-A306 PolarHBondContact O-N 3.24Å; A292-I366 WeakPolarHBondContact CB-O 3.28Å; A292-L368 HydrophobicContact CB-CD1 4.12Å; A292-L368 HydrophobicContact CB-CG 4.17Å
293V96.6Very high88.9Confident9 Ų942.8 Ų42.86%0.05524%0.235CC..EExtended strand (participates in β ladder)trans-130.7140.4175.368.20000110.1A221 D223 L250 L303 V304 I305A221-V293 HydrophobicContact CB-CG1 3.94Å; D223-V293 HydrophobicContact CB-CG1 4.19Å; L250-V293 HydrophobicContact CB-CB 3.98Å; L250-V293 HydrophobicContact CB-CG1 4.08Å; L250-V293 HydrophobicContact CD2-CB 3.97Å; V293-L303 HydrophobicContact CG2-CD1 3.33Å; V293-L303 HydrophobicContact CG2-CD2 3.91Å; V293-L303 HydrophobicContact CG2-CG 3.58Å; V293-V304 CarbonylContact C-O 3.49Å; V293-V304 VanDerWaalsContact CA-O 3.31Å; V293-V304 WeakPolarHBondContact CA-O 3.46Å; V293-I305 HydrophobicContact CG2-CG1 4.4Å
294L96.3Very high89.7Confident11 Ų1133.5 Ų33.56%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-137.5122.4175.7-176.475.7000110.7D223 L296 V304 L368 R370 Y378D223-L294 WeakPolarHBondContact OD2-CA 3.27Å; D223-L294 WeakPolarHBondContact OD2-CD1 3.43Å; L294-L296 HydrophobicContact CD2-CD2 3.87Å; L294-L296 HydrophobicContact CG-CD2 4.48Å; L294-V304 HydrophobicContact CB-CB 4.25Å; L294-V304 PolarHBondContact N-O 3.37Å; L294-V304 PolarHBondContact O-N 3.43Å; L294-L368 HydrophobicContact CB-CB 3.85Å; L294-L368 HydrophobicContact CB-CD1 3.61Å; L294-L368 HydrophobicContact CB-CG 4.38Å; L294-L368 HydrophobicContact CD2-CB 4.12Å; L294-L368 HydrophobicContact CG-CB 4.38Å; L294-R370 HydrophobicContact CD1-CG 3.52Å; L294-R370 HydrophobicContact CD2-CG 4.04Å; L294-R370 HydrophobicContact CG-CG 4.15Å; L294-Y378 HydrophobicContact CD2-CD2 4.34Å; L294-Y378 HydrophobicContact CD2-CG 4.19Å
295C94.5Very high90.4Very high1 Ų129.3 Ų29.31%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-90.1123.8169.1-168.10000109.8D223 G225 Y248 I302 L303 R370D223-C295 PolarHBondContact OD2-N 3.22Å; G225-C295 VanDerWaalsContact CA-SG 3.52Å; Y248-C295 HydrophobicContact CD2-CB 4.34Å; C295-I302 CarbonylContact C-O 3.44Å; C295-I302 WeakPolarHBondContact CA-O 3.09Å; C295-L303 HydrophobicContact CB-CD1 4.21Å; C295-R370 PolarHBondContact O-NE 2.68Å; C295-R370 PolarHBondContact O-NH2 2.95Å
296L91.4Very high91.1Very high2 Ų228.7 Ų28.71%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-81.6144.1173.5-62.9178000110.5L294 C298 I302 V304 L391L294-L296 HydrophobicContact CD2-CD2 3.87Å; L294-L296 HydrophobicContact CG-CD2 4.48Å; L296-C298 PolarHBondContact O-N 3.34Å; L296-I302 HydrophobicContact CB-CB 4.39Å; L296-I302 HydrophobicContact CD1-CB 4.42Å; L296-I302 HydrophobicContact CD1-CG2 4.15Å; L296-I302 PolarHBondContact N-O 2.9Å; L296-V304 HydrophobicContact CD1-CG2 4.28Å; L296-V304 HydrophobicContact CG-CG2 4.31Å; L296-L391 HydrophobicContact CD1-CD1 3.44Å; L296-L391 VanDerWaalsContact CD1-CD1 3.44Å
297P84.8Confident91.5Very high71 Ų7124.2 Ų24.246%0.46115%0.149SC..SBendtrans-78.965.8-178.434.2-36.5000111.2
298C83.8Confident91.8Very high10 Ų1026.4 Ų26.47%0.06815%0.152CC..SBendtrans-130.2162.8178.1570000111L296 P300 S301 L394L296-C298 PolarHBondContact O-N 3.34Å; C298-P300 CarbonylContact C-O 3.52Å; C298-P300 VanDerWaalsContact C-O 3.28Å; C298-P300 CarbonylContact O-C 3.58Å; C298-P300 VanDerWaalsContact O-C 3.32Å; C298-P300 PolarHBondContact SG-O 2.91Å; C298-S301 WeakPolarHBondContact O-CA 3.34Å; C298-S301 PolarHBondContact O-N 2.98Å; C298-L394 HydrophobicContact CB-CD1 4.22Å; C298-L394 HydrophobicContact CB-CD2 4.33Å
299A82.8Confident91.9Very high79 Ų7921.9 Ų21.965%0.65314%0.14SC*.SBendtrans-119.6122.2172.100000108.4
300P86.7Confident91.8Very high30 Ų3020 Ų2020%0.19513%0.13CC..SBendcis-62.6160.1-6.528.8-37.5000112.3C298 I302 V316 L318 L397 I401C298-P300 CarbonylContact C-O 3.52Å; C298-P300 VanDerWaalsContact C-O 3.28Å; C298-P300 CarbonylContact O-C 3.58Å; C298-P300 VanDerWaalsContact O-C 3.32Å; C298-P300 PolarHBondContact SG-O 2.91Å; P300-I302 PolarHBondContact O-N 3.25Å; P300-V316 HydrophobicContact CB-CG1 4.18Å; P300-V316 HydrophobicContact CG-CG1 3.65Å; P300-L318 HydrophobicContact CB-CD2 4.14Å; P300-L318 HydrophobicContact CG-CD2 4.3Å; P300-L397 HydrophobicContact CG-CD2 4.47Å; P300-I401 HydrophobicContact CG-CD1 4.04Å
301S89.6Confident91.8Very high23 Ų2321.9 Ų21.916%0.16114%0.139CC..  trans-61.9133.3177.7-61.90000110C298 V317C298-S301 WeakPolarHBondContact O-CA 3.34Å; C298-S301 PolarHBondContact O-N 2.98Å; S301-V317 WeakPolarHBondContact O-CB 3.46Å; S301-V317 WeakPolarHBondContact O-CG2 3.44Å; S301-V317 PolarHBondContact O-N 2.94Å
302I92.8Very high91.9Very high0 Ų020.8 Ų20.80%013%0.131CC..EExtended strand (participates in β ladder)trans-109.8123.5172.5-67.2169.9000108.4C295 L296 P300 C315 V316 L391 W393 L394C295-I302 CarbonylContact C-O 3.44Å; C295-I302 WeakPolarHBondContact CA-O 3.09Å; L296-I302 HydrophobicContact CB-CB 4.39Å; L296-I302 HydrophobicContact CD1-CB 4.42Å; L296-I302 HydrophobicContact CD1-CG2 4.15Å; L296-I302 PolarHBondContact N-O 2.9Å; P300-I302 PolarHBondContact O-N 3.25Å; I302-C315 CarbonylContact C-O 3.54Å; I302-C315 WeakPolarHBondContact CA-O 3.42Å; I302-V316 HydrophobicContact CG1-CG2 4.49Å; I302-L391 HydrophobicContact CG2-CD1 4.29Å; I302-W393 HydrophobicContact CD1-CH2 3.52Å; I302-W393 HydrophobicContact CD1-CZ3 3.65Å; I302-W393 HydrophobicContact CG1-CH2 4.26Å; I302-W393 HydrophobicContact CG2-CH2 4.43Å; I302-L394 HydrophobicContact CD1-CD1 3.29Å; I302-L394 HydrophobicContact CD1-CD2 4.18Å; I302-L394 HydrophobicContact CD1-CG 4.24Å
303L95.3Very high91.8Very high0 Ų021.1 Ų21.10%013%0.13CC..EExtended strand (participates in β ladder)trans-100.9126.7176.2-16169.5000109.2Y248 T256 V293 C295 I305 C315 V317 L336Y248-L303 HydrophobicContact CD1-CD2 4.5Å; Y248-L303 HydrophobicContact CD2-CD1 4.09Å; Y248-L303 HydrophobicContact CG-CD1 3.96Å; T256-L303 HydrophobicContact CG2-CD2 3.85Å; V293-L303 HydrophobicContact CG2-CD1 3.33Å; V293-L303 HydrophobicContact CG2-CD2 3.91Å; V293-L303 HydrophobicContact CG2-CG 3.58Å; C295-L303 HydrophobicContact CB-CD1 4.21Å; L303-I305 HydrophobicContact CD2-CD1 4.18Å; L303-I305 HydrophobicContact CD2-CG1 4.16Å; L303-I305 HydrophobicContact CG-CG1 4.31Å; L303-C315 HydrophobicContact CB-CB 4.3Å; L303-C315 PolarHBondContact N-O 3.47Å; L303-C315 PolarHBondContact O-N 3.07Å; L303-V317 HydrophobicContact CB-CG2 4.23Å; L303-L336 HydrophobicContact CD2-CD1 4.3Å; L303-L336 HydrophobicContact CD2-CD2 4.1Å
304V96.4Very high91.7Very high0 Ų020.7 Ų20.70%013%0.127CC..EExtended strand (participates in β ladder)trans-103.4117.8172-171.90000107.7V293 L294 L296 Y313 L368 Y378V293-V304 CarbonylContact C-O 3.49Å; V293-V304 VanDerWaalsContact CA-O 3.31Å; V293-V304 WeakPolarHBondContact CA-O 3.46Å; L294-V304 HydrophobicContact CB-CB 4.25Å; L294-V304 PolarHBondContact N-O 3.37Å; L294-V304 PolarHBondContact O-N 3.43Å; L296-V304 HydrophobicContact CD1-CG2 4.28Å; L296-V304 HydrophobicContact CG-CG2 4.31Å; V304-Y313 VanDerWaalsContact CA-O 3.31Å; V304-Y313 WeakPolarHBondContact CA-O 3.48Å; V304-L368 HydrophobicContact CB-CD1 4.34Å; V304-L368 HydrophobicContact CG1-CD1 4.16Å; V304-Y378 HydrophobicContact CG1-CE1 4.36Å; V304-Y378 HydrophobicContact CG1-CE2 3.97Å; V304-Y378 HydrophobicContact CG2-CE1 4.13Å
305I96.3Very high91.6Very high6 Ų620.2 Ų20.23%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-106.7129.1175.7-59.5172.6000107.6L250 V293 L303 L312 Y313 L336L250-I305 HydrophobicContact CD1-CD1 4.36Å; L250-I305 HydrophobicContact CD1-CG2 3.9Å; L250-I305 HydrophobicContact CD2-CG2 3.94Å; V293-I305 HydrophobicContact CG2-CG1 4.4Å; L303-I305 HydrophobicContact CD2-CD1 4.18Å; L303-I305 HydrophobicContact CD2-CG1 4.16Å; L303-I305 HydrophobicContact CG-CG1 4.31Å; I305-L312 CarbonylContact O-C 3.12Å; I305-L312 WeakPolarHBondContact O-CA 3.31Å; I305-Y313 HydrophobicContact CB-CD2 4.5Å; I305-Y313 PolarHBondContact N-O 3.32Å; I305-Y313 PolarHBondContact O-N 2.88Å; I305-L336 HydrophobicContact CD1-CD1 4.3Å
306A95.8Very high91.5Very high0 Ų020.8 Ų20.80%013%0.128CC..EExtended strand (participates in β ladder)trans-116.7138.9179.700000111.5C291 A292 M311 L312 I366 L368C291-A306 PolarHBondContact N-O 2.74Å; C291-A306 PolarHBondContact SG-O 2.91Å; A292-A306 HydrophobicContact CB-CB 4.31Å; A292-A306 PolarHBondContact N-O 3.44Å; A292-A306 PolarHBondContact O-N 3.24Å; A306-M311 WeakPolarHBondContact CA-O 3.4Å; A306-L312 HydrophobicContact CB-CD2 3.47Å; A306-L312 VanDerWaalsContact CB-CD2 3.47Å; A306-I366 HydrophobicContact CB-CB 4.12Å; A306-I366 HydrophobicContact CB-CD1 4.38Å; A306-I366 HydrophobicContact CB-CG2 4.2Å; A306-L368 HydrophobicContact CB-CD1 4.04Å; A306-L368 HydrophobicContact CB-CD2 4.22Å; A306-L368 HydrophobicContact CB-CG 4.29Å
307T93.8Very high91.5Very high6 Ų621.3 Ų21.34%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-104.5162.317668.90000112.2D289 C291 T309 G310 M311 Y313 I366D289-T307 CarbonylContact O-C 3.6Å; D289-T307 WeakPolarHBondContact O-CA 3.38Å; D289-T307 WeakPolarHBondContact O-CB 3.37Å; D289-T307 WeakPolarHBondContact OD2-CB 3.43Å; C291-T307 VanDerWaalsContact SG-C 3.59Å; T307-T309 PolarHBondContact O-N 2.81Å; T307-T309 PolarHBondContact OG1-OG1 3.14Å; T307-G310 PolarHBondContact O-N 3.41Å; T307-M311 HydrophobicContact CG2-CB 4.28Å; T307-M311 PolarHBondContact N-O 3.1Å; T307-M311 WeakPolarHBondContact OG1-CB 3.3Å; T307-M311 PolarHBondContact OG1-N 2.68Å; T307-M311 PolarHBondContact OG1-O 2.86Å; T307-Y313 HydrophobicContact CG2-CE2 3.85Å; T307-I366 VanDerWaalsContact O-CD1 3.27Å; T307-I366 WeakPolarHBondContact O-CD1 3.19Å
308E90.8Very high91.7Very high71 Ų7121.4 Ų21.433%0.33213%0.128SC..THydrogen-bonded Turntrans-68.4-22.2175.5-59.7-167.6157.500112.4D289 C291 G310 T363 C364D289-E308 HydrophobicContact CB-CB 4.35Å; D289-E308 WeakPolarHBondContact O-CG 3.46Å; D289-E308 PolarHBondContact O-N 3.07Å; C291-E308 HydrophobicContact CB-CG 3.73Å; E308-G310 VanDerWaalsContact C-N 3.29Å; E308-G310 PolarHBondContact O-N 2.73Å; E308-T363 CarbonylContact O-C 3.59Å; E308-T363 WeakPolarHBondContact O-CA 3.41Å; E308-C364 WeakPolarHBondContact CA-O 3.47Å; E308-C364 PolarHBondContact O-N 3.28Å
309T88.9Confident91.7Very high58 Ų5826.9 Ų26.936%0.35615%0.152SC..THydrogen-bonded Turntrans-75.9-12.2177.446.60000114D289 T307 T363D289-T309 WeakPolarHBondContact OD2-CB 3.29Å; D289-T309 WeakPolarHBondContact OD2-CG2 3.43Å; D289-T309 PolarHBondContact OD2-OG1 3.41Å; T307-T309 PolarHBondContact O-N 2.81Å; T307-T309 PolarHBondContact OG1-OG1 3.14Å; T309-T363 HydrophobicContact CG2-CG2 3.81Å
310G90.1Very high90.9Very high0 Ų024.2 Ų24.20%013%0.129CC..SBendtrans105.72.2-176.900000114.9T307 E308 L344T307-G310 PolarHBondContact O-N 3.41Å; E308-G310 VanDerWaalsContact C-N 3.29Å; E308-G310 PolarHBondContact O-N 2.73Å; G310-L344 WeakPolarHBondContact O-CB 3.19Å; G310-L344 WeakPolarHBondContact O-CG 3.32Å; G310-L344 PolarHBondContact O-N 3.01Å
311M92.9Very high89.7Confident47 Ų4729.9 Ų29.923%0.23215%0.153CC..EExtended strand (participates in β ladder)trans-84.4137.3-179.1-54.7-52.9179.800111.4A306 T307 Y313 V342 E343A306-M311 WeakPolarHBondContact CA-O 3.4Å; T307-M311 HydrophobicContact CG2-CB 4.28Å; T307-M311 PolarHBondContact N-O 3.1Å; T307-M311 WeakPolarHBondContact OG1-CB 3.3Å; T307-M311 PolarHBondContact OG1-N 2.68Å; T307-M311 PolarHBondContact OG1-O 2.86Å; M311-Y313 HydrophobicContact CB-CE2 4Å; M311-V342 CarbonylContact C-O 3.55Å; M311-V342 WeakPolarHBondContact CA-O 3.19Å; M311-E343 HydrophobicContact CE-CB 3.85Å; M311-E343 HydrophobicContact CE-CG 3.49Å; M311-E343 VanDerWaalsContact CE-CG 3.49Å; M311-E343 VanDerWaalsContact SD-CA 3.51Å; M311-E343 HydrophobicContact SD-CB 3.4Å; M311-E343 WeakPolarHBondContact SD-CB 3.27Å; M311-E343 HydrophobicContact SD-CG 3.57Å; M311-E343 VanDerWaalsContact SD-CG 3.57Å
312L94.9Very high87.9Confident0 Ų035.2 Ų35.20%018%0.175CC..EExtended strand (participates in β ladder)trans-122.4118.6176-55.2174.5000109I305 A306 C341 V342 L344 I366 L368 Y378 V389I305-L312 CarbonylContact O-C 3.12Å; I305-L312 WeakPolarHBondContact O-CA 3.31Å; A306-L312 HydrophobicContact CB-CD2 3.47Å; A306-L312 VanDerWaalsContact CB-CD2 3.47Å; L312-C341 CarbonylContact O-C 3.55Å; L312-C341 WeakPolarHBondContact O-CA 3.22Å; L312-V342 HydrophobicContact CB-CB 4.3Å; L312-V342 PolarHBondContact N-O 2.91Å; L312-V342 PolarHBondContact O-N 3.33Å; L312-L344 HydrophobicContact CD1-CD1 3.99Å; L312-L344 HydrophobicContact CD1-CD2 3.71Å; L312-L344 HydrophobicContact CD1-CG 3.81Å; L312-L344 HydrophobicContact CG-CD1 4.4Å; L312-L344 HydrophobicContact CG-CG 4.2Å; L312-I366 HydrophobicContact CD2-CD1 4.34Å; L312-L368 HydrophobicContact CD2-CD2 4.31Å; L312-Y378 HydrophobicContact CD1-CE2 4.47Å; L312-Y378 WeakPolarHBondContact CD1-OH 3.49Å; L312-V389 HydrophobicContact CD1-CG2 3.86Å
313Y94.1Very high85.8Confident20 Ų2043.2 Ų43.28%0.07821%0.212CC..EExtended strand (participates in β ladder)trans-98.3126.4174.2-57.8-98.5000109.1M278 D284 V304 I305 T307 M311 V338 C341M278-Y313 HydrophobicContact CE-CD1 4.26Å; M278-Y313 HydrophobicContact CE-CG 4.48Å; D284-Y313 PolarHBondContact O-OH 2.88Å; V304-Y313 VanDerWaalsContact CA-O 3.31Å; V304-Y313 WeakPolarHBondContact CA-O 3.48Å; I305-Y313 HydrophobicContact CB-CD2 4.5Å; I305-Y313 PolarHBondContact N-O 3.32Å; I305-Y313 PolarHBondContact O-N 2.88Å; T307-Y313 HydrophobicContact CG2-CE2 3.85Å; M311-Y313 HydrophobicContact CB-CE2 4Å; Y313-V338 HydrophobicContact CD1-CG1 4.16Å; Y313-C341 HydrophobicContact CD1-CB 4.19Å; Y313-C341 HydrophobicContact CE1-CB 4.31Å
314H94.2Very high83.6Confident0 Ų047.4 Ų47.40%023%0.232CC..EExtended strand (participates in β ladder)trans-101.7103.3172.7-57.9101.2000109.5F339 E340 Y378 W393H314-F339 PolarHBondContact O-N 3.34Å; H314-E340 HydrophobicContact CB-CG 3.86Å; H314-E340 IonicContact CE1-OE1 2.79Å; H314-E340 IonicContact CG-OE1 3.92Å; H314-E340 PolarHBondContact N-O 2.89Å; H314-E340 WeakPolarHBondContact ND1-CG 3.33Å; H314-E340 IonicContact ND1-OE1 3.72Å; H314-E340 PolarHBondContact ND1-OE1 2.96Å; H314-Y378 PolarHBondContact CE1-OH 2.9Å; H314-Y378 AromaticContact NE2-CE1 3.57Å; H314-Y378 AromaticContact NE2-CZ 3.54Å; H314-Y378 PolarHBondContact NE2-OH 3.44Å; H314-W393 HydrophobicContact CB-CZ2 4.09Å
315C93.8Very high81.2Confident0 Ų050.7 Ų50.70%025%0.247CC..EExtended strand (participates in β ladder)trans-104.2125.9-175.8-56.70000111I302 L303 L336 Y337I302-C315 CarbonylContact C-O 3.54Å; I302-C315 WeakPolarHBondContact CA-O 3.42Å; L303-C315 HydrophobicContact CB-CB 4.3Å; L303-C315 PolarHBondContact N-O 3.47Å; L303-C315 PolarHBondContact O-N 3.07Å; C315-L336 HydrophobicContact CB-CB 4.08Å; C315-L336 HydrophobicContact CB-CD2 4.2Å; C315-Y337 CarbonylContact C-O 3.59Å; C315-Y337 VanDerWaalsContact CA-O 3.31Å; C315-Y337 WeakPolarHBondContact CA-O 3.44Å
316V92.7Very high78.8Confident13 Ų1362 Ų628%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-84.5122.7168.1-175.90000108.3P300 I302 L318 Y337 F339 W393 L397P300-V316 HydrophobicContact CB-CG1 4.18Å; P300-V316 HydrophobicContact CG-CG1 3.65Å; I302-V316 HydrophobicContact CG1-CG2 4.49Å; V316-L318 HydrophobicContact CG1-CD2 3.94Å; V316-L318 HydrophobicContact CG1-CG 4.08Å; V316-Y337 PolarHBondContact N-O 3.38Å; V316-Y337 PolarHBondContact O-N 2.98Å; V316-F339 HydrophobicContact CG2-CB 4.3Å; V316-W393 HydrophobicContact CG2-CH2 4.17Å; V316-W393 HydrophobicContact CG2-CZ3 4.24Å; V316-L397 HydrophobicContact CG2-CD2 4.41Å
317V91.7Very high76.6Confident13 Ų1368.9 Ų68.98%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-86.8117.5178.9-171.10000109.1Y248 S301 L303 P334 L336Y248-V317 HydrophobicContact CE1-CG1 4.33Å; Y248-V317 HydrophobicContact CE1-CG2 4.34Å; S301-V317 WeakPolarHBondContact O-CB 3.46Å; S301-V317 WeakPolarHBondContact O-CG2 3.44Å; S301-V317 PolarHBondContact O-N 2.94Å; L303-V317 HydrophobicContact CB-CG2 4.23Å; V317-P334 HydrophobicContact CG1-CB 3.85Å; V317-P334 HydrophobicContact CG1-CG 4.45Å; V317-L336 HydrophobicContact CG2-CD2 3.78Å
318L89Confident74.5Confident73 Ų7374.1 Ų74.138%0.38234%0.344SS..EExtended strand (participates in β ladder)trans-123.4144.7177.6-59.3177.1000110.5P300 V316 P334 A335 Y337P300-L318 HydrophobicContact CB-CD2 4.14Å; P300-L318 HydrophobicContact CG-CD2 4.3Å; V316-L318 HydrophobicContact CG1-CD2 3.94Å; V316-L318 HydrophobicContact CG1-CG 4.08Å; L318-P334 WeakPolarHBondContact O-CA 3.39Å; L318-P334 WeakPolarHBondContact O-CB 3.45Å; L318-A335 PolarHBondContact N-O 3.18Å; L318-A335 VanDerWaalsContact N-O 3.13Å; L318-A335 PolarHBondContact O-N 3.49Å; L318-Y337 HydrophobicContact CB-CD2 3.95Å; L318-Y337 HydrophobicContact CB-CE2 3.82Å; L318-Y337 HydrophobicContact CD1-CD2 3.69Å; L318-Y337 HydrophobicContact CD1-CE2 3.86Å; L318-Y337 HydrophobicContact CD1-CG 4.23Å; L318-Y337 HydrophobicContact CG-CD2 3.94Å; L318-Y337 HydrophobicContact CG-CE2 4.23Å
319E83Confident72.2Confident125 Ų12574.8 Ų74.858%0.58437%0.37SS*.PPolyproline II helixtrans-75.7145.1172.5-64.6-171.2177.200110.1R232R232-E319 IonicContact CZ-OE2 3.95Å; R232-E319 IonicContact NE-OE2 3.28Å; R232-E319 PolarHBondContact NE-OE2 3.46Å; R232-E319 IonicContact NH2-OE2 3.47Å; R232-E319 PolarHBondContact NH2-OE2 3.13Å
320C66.7Low70.5Confident23 Ų2376.1 Ų76.116%0.15538%0.382CS..PPolyproline II helixtrans-73.9141.6175.2-145.60000110.4E324C320-E324 PolarHBondContact SG-OE2 3.32Å; C320-E324 VanDerWaalsContact SG-OE2 3.32Å
321E60.3Low69Low150 Ų15081.9 Ų81.970%0.70141%0.408SS*.PPolyproline II helixtrans-73.4150176.8-67.2-172.5167.700112.2E323 E324E321-E323 PolarHBondContact O-N 3.31Å; E321-E324 PolarHBondContact O-N 3.28Å
322E52.6Low67.7Low135 Ų13582 Ų8263%0.63142%0.417SS*.Hα-helixtrans-61.2-26.9-172.9-62-177.8169.200113.6R232 E324 E325R232-E322 IonicContact NH1-OE1 3.08Å; E322-E324 VanDerWaalsContact C-N 3.32Å; E322-E324 PolarHBondContact O-N 3.3Å; E322-E325 WeakPolarHBondContact O-CB 3.35Å; E322-E325 PolarHBondContact O-N 3.1Å
323E48.2Very low67Low167 Ų16783.5 Ų83.578%0.7843%0.426SS*.Hα-helixtrans-70.9-26.2-179.1-66-169.5166.900112.9E321E321-E323 PolarHBondContact O-N 3.31Å
324E49.4Very low66.7Low88 Ų8883 Ų8341%0.41143%0.425SS..Hα-helixtrans-85.5-13.2178.8-64.1-167.5157.700113.4C320 E321 E322 W326 I327 R328C320-E324 PolarHBondContact SG-OE2 3.32Å; C320-E324 VanDerWaalsContact SG-OE2 3.32Å; E321-E324 PolarHBondContact O-N 3.28Å; E322-E324 VanDerWaalsContact C-N 3.32Å; E322-E324 PolarHBondContact O-N 3.3Å; E324-W326 VanDerWaalsContact C-N 3.34Å; E324-W326 PolarHBondContact O-N 3.5Å; E324-I327 PolarHBondContact O-N 2.87Å; E324-R328 PolarHBondContact O-N 3.38Å; E324-R328 IonicContact OE2-CZ 3.82Å; E324-R328 IonicContact OE2-NH2 2.69Å; E324-R328 PolarHBondContact OE2-NH2 3.35Å
325E45.2Very low66.6Low70 Ų7083.2 Ų83.233%0.32743%0.427SS..Hα-helixtrans-64.9-36.9177.3-68.5-177.3173.700111.8E322 I327 R328 G329 A332E322-E325 WeakPolarHBondContact O-CB 3.35Å; E322-E325 PolarHBondContact O-N 3.1Å; E325-I327 PolarHBondContact O-N 2.84Å; E325-R328 PolarHBondContact O-N 3.37Å; E325-G329 PolarHBondContact O-N 3.25Å; E325-A332 HydrophobicContact CG-CB 4.16Å; E325-A332 WeakPolarHBondContact OE1-CB 3.18Å
326W46.2Very low66.6Low242 Ų24283.2 Ų83.292%0.91743%0.427SS*.Hα-helixtrans-67.4-23.7-179.3-75.463.5000113E324E324-W326 VanDerWaalsContact C-N 3.34Å; E324-W326 PolarHBondContact O-N 3.5Å
327I49.3Very low66.5Low145 Ų14587 Ų8774%0.74444%0.441SS*.Hα-helixtrans-85.4-32.8-180-58.9173.8000110.9E324 E325E324-I327 PolarHBondContact O-N 2.87Å; E325-I327 PolarHBondContact O-N 2.84Å
328R51.3Low66.5Low117 Ų11787.6 Ų87.644%0.44244%0.444SS..Hα-helixtrans-94.9-16.8-168.7-79.1-169.3-114.6-143.51.2116.2Y279 E324 E325 S330Y279-R328 PolarHBondContact OH-NH1 2.95Å; E324-R328 PolarHBondContact O-N 3.38Å; E324-R328 IonicContact OE2-CZ 3.82Å; E324-R328 IonicContact OE2-NH2 2.69Å; E324-R328 PolarHBondContact OE2-NH2 3.35Å; E325-R328 PolarHBondContact O-N 3.37Å; R328-S330 PolarHBondContact O-N 3.49Å
329G42.6Very low66.6Low84 Ų8488.1 Ų88.187%0.86644%0.444SS*.  trans56.79.4175.100000116E325E325-G329 PolarHBondContact O-N 3.25Å
330S52.5Low66.8Low87 Ų8783.3 Ų83.361%0.60842%0.421SS*.SBendtrans-120.5158.3-176.7-168.70000109.3R328 A332R328-S330 PolarHBondContact O-N 3.49Å; S330-A332 PolarHBondContact O-N 2.92Å
331E58.8Low68Low120 Ų12085 Ų8556%0.56143%0.433SS*.  trans-51.6138.9178.4-67.9-171.7166.600111.2Q233 V333Q233-E331 VanDerWaalsContact NE2-CD 3.3Å; Q233-E331 PolarHBondContact NE2-OE2 3.49Å; E331-V333 WeakPolarHBondContact O-CG2 3.44Å; E331-V333 PolarHBondContact O-N 3.01Å
332A65.9Low69.4Low51 Ų5178.8 Ų78.842%0.42141%0.405SS..  trans-66.897.2177.600000110.5E325 S330E325-A332 HydrophobicContact CG-CB 4.16Å; E325-A332 WeakPolarHBondContact OE1-CB 3.18Å; S330-A332 PolarHBondContact O-N 2.92Å
333V79Confident71.3Confident30 Ų3077.5 Ų77.518%0.18240%0.399CS..  trans-100.6141.5178.2-147.30000109.4V258 A273 L276 E331V258-V333 HydrophobicContact CG1-CG1 4.31Å; A273-V333 HydrophobicContact CB-CG1 3.84Å; L276-V333 HydrophobicContact CD2-CB 4.37Å; L276-V333 HydrophobicContact CD2-CG1 3.32Å; E331-V333 WeakPolarHBondContact O-CG2 3.44Å; E331-V333 PolarHBondContact O-N 3.01Å
334P88.2Confident73.3Confident10 Ų1069.7 Ų69.77%0.06536%0.363CS..  trans-60.5158.5172.622-33.5000112.6V258 L276 V317 L318V258-P334 HydrophobicContact CG1-CG 4.09Å; L276-P334 HydrophobicContact CD2-CG 3.97Å; L276-P334 WeakPolarHBondContact CD2-O 3.48Å; V317-P334 HydrophobicContact CG1-CB 3.85Å; V317-P334 HydrophobicContact CG1-CG 4.45Å; L318-P334 WeakPolarHBondContact O-CA 3.39Å; L318-P334 WeakPolarHBondContact O-CB 3.45Å
335A91.4Very high75Confident4 Ų468.1 Ų68.13%0.03336%0.355CS..EExtended strand (participates in β ladder)trans-113.3153.4175.300000111.3P277 Y279 L318 Y337P277-A335 HydrophobicContact CG-CB 3.95Å; Y279-A335 HydrophobicContact CD2-CB 3.9Å; Y279-A335 HydrophobicContact CE2-CB 3.78Å; L318-A335 PolarHBondContact N-O 3.18Å; L318-A335 VanDerWaalsContact N-O 3.13Å; L318-A335 PolarHBondContact O-N 3.49Å; A335-Y337 HydrophobicContact CB-CD2 4.44Å; A335-Y337 HydrophobicContact CB-CE2 3.85Å
336L93.6Very high76.9Confident0 Ų065.3 Ų65.30%034%0.342CS..EExtended strand (participates in β ladder)trans-100.9110.1177.8-64.3-177.7000109.5T256 L276 P277 M278 Y279 L303 I305 C315 V317T256-L336 HydrophobicContact CG2-CD1 4.4Å; L276-L336 HydrophobicContact CB-CD1 4.08Å; L276-L336 HydrophobicContact CB-CG 3.85Å; L276-L336 HydrophobicContact CD1-CD1 4.4Å; L276-L336 HydrophobicContact CD1-CD2 3.95Å; L276-L336 HydrophobicContact CD1-CG 4.09Å; P277-L336 PolarHBondContact O-N 2.99Å; M278-L336 CarbonylContact C-O 3.43Å; M278-L336 VanDerWaalsContact CA-O 3.25Å; M278-L336 WeakPolarHBondContact CA-O 3.35Å; M278-L336 HydrophobicContact CG-CB 3.93Å; M278-L336 HydrophobicContact CG-CD1 4.02Å; Y279-L336 PolarHBondContact N-O 3.18Å; L303-L336 HydrophobicContact CD2-CD1 4.3Å; L303-L336 HydrophobicContact CD2-CD2 4.1Å; I305-L336 HydrophobicContact CD1-CD1 4.3Å; C315-L336 HydrophobicContact CB-CB 4.08Å; C315-L336 HydrophobicContact CB-CD2 4.2Å; V317-L336 HydrophobicContact CG2-CD2 3.78Å
337Y92.3Very high78.6Confident94 Ų9455.1 Ų55.137%0.36931%0.306SS..EExtended strand (participates in β ladder)trans-93.1105.1174.6-69.9-96000109.4Y279 C315 V316 L318 A335 F339Y279-Y337 HydrophobicContact CD2-CE1 4.2Å; Y279-Y337 HydrophobicContact CG-CE1 4.29Å; Y279-Y337 CarbonylContact O-C 3.27Å; Y279-Y337 WeakPolarHBondContact O-CA 3.07Å; C315-Y337 CarbonylContact C-O 3.59Å; C315-Y337 VanDerWaalsContact CA-O 3.31Å; C315-Y337 WeakPolarHBondContact CA-O 3.44Å; V316-Y337 PolarHBondContact N-O 3.38Å; V316-Y337 PolarHBondContact O-N 2.98Å; L318-Y337 HydrophobicContact CB-CD2 3.95Å; L318-Y337 HydrophobicContact CB-CE2 3.82Å; L318-Y337 HydrophobicContact CD1-CD2 3.69Å; L318-Y337 HydrophobicContact CD1-CE2 3.86Å; L318-Y337 HydrophobicContact CD1-CG 4.23Å; L318-Y337 HydrophobicContact CG-CD2 3.94Å; L318-Y337 HydrophobicContact CG-CE2 4.23Å; A335-Y337 HydrophobicContact CB-CD2 4.44Å; A335-Y337 HydrophobicContact CB-CE2 3.85Å; Y337-F339 PolarHBondContact O-N 2.82Å; Y337-F339 VanDerWaalsContact O-N 3.09Å
338V91.8Very high80Confident25 Ų2548.6 Ų48.615%0.15227%0.272CS..EExtended strand (participates in β ladder)trans-66.9106.5176.7-173.10000108.1M278 Y279 Y313M278-V338 HydrophobicContact CB-CG2 4.27Å; M278-V338 HydrophobicContact CE-CG2 3.47Å; M278-V338 VanDerWaalsContact CE-CG2 3.47Å; Y279-V338 PolarHBondContact O-N 3.03Å; Y313-V338 HydrophobicContact CD1-CG1 4.16Å
339F89.3Confident81Confident84 Ų8451.1 Ų51.137%0.36828%0.282SS..EExtended strand (participates in β ladder)trans-82-41.5179.9-170.3-94.5000111.1H314 V316 Y337 W393 L414H314-F339 PolarHBondContact O-N 3.34Å; V316-F339 HydrophobicContact CG2-CB 4.3Å; Y337-F339 PolarHBondContact O-N 2.82Å; Y337-F339 VanDerWaalsContact O-N 3.09Å; F339-W393 HydrophobicContact CB-CH2 4.36Å; F339-W393 HydrophobicContact CB-CZ2 4.38Å; F339-W393 AromaticContact CD1-CD2 3.73Å; F339-W393 HydrophobicContact CD1-CD2 3.73Å; F339-W393 AromaticContact CD1-CE2 3.52Å; F339-W393 HydrophobicContact CD1-CE3 4.18Å; F339-W393 HydrophobicContact CD1-CG 4.13Å; F339-W393 HydrophobicContact CD1-CH2 4.21Å; F339-W393 AromaticContact CD1-CZ2 3.78Å; F339-W393 HydrophobicContact CD1-CZ2 3.78Å; F339-W393 HydrophobicContact CD1-CZ3 4.4Å; F339-W393 AromaticContact CD1-NE1 3.78Å; F339-W393 HydrophobicContact CE1-CB 4.04Å; F339-W393 AromaticContact CE1-CD1 3.7Å; F339-W393 AromaticContact CE1-CD2 3.54Å; F339-W393 HydrophobicContact CE1-CD2 3.54Å; F339-W393 AromaticContact CE1-CE2 3.78Å; F339-W393 HydrophobicContact CE1-CE3 4.06Å; F339-W393 AromaticContact CE1-CG 3.52Å; F339-W393 HydrophobicContact CE1-CG 3.52Å; F339-W393 HydrophobicContact CE1-CZ2 4.45Å; F339-W393 AromaticContact CE1-NE1 3.86Å; F339-W393 HydrophobicContact CG-CH2 4.29Å; F339-W393 HydrophobicContact CG-CZ2 4.26Å; F339-W393 HydrophobicContact CG-CZ3 4.46Å; F339-W393 HydrophobicContact CZ-CB 4.33Å; F339-W393 HydrophobicContact CZ-CD2 4.21Å; F339-W393 HydrophobicContact CZ-CE3 4.36Å; F339-W393 HydrophobicContact CZ-CG 4.21Å; F339-L414 HydrophobicContact CZ-CG 4.36Å
340E89.2Confident82.1Confident23 Ų2348.8 Ų48.811%0.10725%0.25CS..EExtended strand (participates in β ladder)trans-151.2156.3174.868.6-174.9153.400111.2H314 V342 W393 C420H314-E340 HydrophobicContact CB-CG 3.86Å; H314-E340 IonicContact CE1-OE1 2.79Å; H314-E340 IonicContact CG-OE1 3.92Å; H314-E340 PolarHBondContact N-O 2.89Å; H314-E340 WeakPolarHBondContact ND1-CG 3.33Å; H314-E340 IonicContact ND1-OE1 3.72Å; H314-E340 PolarHBondContact ND1-OE1 2.96Å; E340-V342 HydrophobicContact CG-CG2 4.13Å; E340-W393 PolarHBondContact OE1-NE1 3.3Å; E340-C420 VanDerWaalsContact OE1-CB 3.22Å; E340-C420 WeakPolarHBondContact OE1-CB 3.37Å; E340-C420 PolarHBondContact OE2-N 2.92Å; E340-C420 PolarHBondContact OE2-SG 3.24Å; E340-C420 VanDerWaalsContact OE2-SG 3.41Å
341C90.6Very high82.3Confident60 Ų6049.2 Ų49.241%0.40526%0.259SS..EExtended strand (participates in β ladder)trans-124.5134.3171.4179.70000108.6L312 Y313L312-C341 CarbonylContact O-C 3.55Å; L312-C341 WeakPolarHBondContact O-CA 3.22Å; Y313-C341 HydrophobicContact CD1-CB 4.19Å; Y313-C341 HydrophobicContact CE1-CB 4.31Å
342V90.9Very high81.9Confident18 Ų1847.3 Ų47.311%0.10926%0.264CS..EExtended strand (participates in β ladder)trans-134.1118.3-167.1-177.80000110.2M311 L312 E340 C420 V422M311-V342 CarbonylContact C-O 3.55Å; M311-V342 WeakPolarHBondContact CA-O 3.19Å; L312-V342 HydrophobicContact CB-CB 4.3Å; L312-V342 PolarHBondContact N-O 2.91Å; L312-V342 PolarHBondContact O-N 3.33Å; E340-V342 HydrophobicContact CG-CG2 4.13Å; V342-C420 WeakPolarHBondContact CG2-SG 3.4Å; V342-V422 HydrophobicContact CG1-CG2 3.42Å; V342-V422 VanDerWaalsContact CG1-CG2 3.42Å
343E91.6Very high80.7Confident108 Ų10853.5 Ų53.551%0.50528%0.284SS..EExtended strand (participates in β ladder)trans-85.8120.8173.5-173.8-177.2157.400110.6M311 R349M311-E343 HydrophobicContact CE-CB 3.85Å; M311-E343 HydrophobicContact CE-CG 3.49Å; M311-E343 VanDerWaalsContact CE-CG 3.49Å; M311-E343 VanDerWaalsContact SD-CA 3.51Å; M311-E343 HydrophobicContact SD-CB 3.4Å; M311-E343 WeakPolarHBondContact SD-CB 3.27Å; M311-E343 HydrophobicContact SD-CG 3.57Å; M311-E343 VanDerWaalsContact SD-CG 3.57Å; E343-R349 IonicContact OE1-NH2 2.61Å; E343-R349 PolarHBondContact OE1-NH2 3.37Å
344L90.1Very high79Confident4 Ų461.8 Ų61.82%0.02132%0.321CS..  trans-77.8129.6171.1-64.1-174.4000110.8G310 L312 L346 I366 C380 H387 V389 V422G310-L344 WeakPolarHBondContact O-CB 3.19Å; G310-L344 WeakPolarHBondContact O-CG 3.32Å; G310-L344 PolarHBondContact O-N 3.01Å; L312-L344 HydrophobicContact CD1-CD1 3.99Å; L312-L344 HydrophobicContact CD1-CD2 3.71Å; L312-L344 HydrophobicContact CD1-CG 3.81Å; L312-L344 HydrophobicContact CG-CD1 4.4Å; L312-L344 HydrophobicContact CG-CG 4.2Å; L344-L346 HydrophobicContact CB-CD2 4.04Å; L344-L346 PolarHBondContact O-N 2.94Å; L344-I366 HydrophobicContact CD1-CD1 4.04Å; L344-C380 HydrophobicContact CD1-CB 4.1Å; L344-H387 HydrophobicContact CD1-CB 4.39Å; L344-H387 HydrophobicContact CD2-CB 4.09Å; L344-V389 HydrophobicContact CD2-CG2 4.44Å; L344-V422 HydrophobicContact CD2-CG1 3.68Å
345E86.3Confident76.8Confident54 Ų5468.4 Ų68.425%0.25236%0.355SS..  trans-71.991.4168.2-171.3-175-153.700109.8I347 R349 H387 H424 R539E345-I347 WeakPolarHBondContact CG-O 3.15Å; E345-R349 PolarHBondContact OE1-N 3.22Å; E345-H387 PolarHBondContact O-NE2 3Å; E345-H424 PolarHBondContact O-CE1 2.92Å; E345-H424 PolarHBondContact O-ND1 2.84Å; E345-R539 IonicContact OE1-CZ 3.52Å; E345-R539 IonicContact OE1-NH2 2.66Å; E345-R539 PolarHBondContact OE1-NH2 3.26Å; E345-R539 IonicContact OE2-NH2 3.37Å; E345-R539 PolarHBondContact OE2-NH2 3.11Å
346L83.8Confident74.5Confident11 Ų1176.8 Ų76.86%0.05839%0.394CS..  trans-73.1-36.1179.3-57.1-179.5000112.2L344 F362 H382 A384L344-L346 HydrophobicContact CB-CD2 4.04Å; L344-L346 PolarHBondContact O-N 2.94Å; L346-F362 HydrophobicContact CB-CD1 4.17Å; L346-F362 HydrophobicContact CD1-CD1 4.14Å; L346-F362 WeakPolarHBondContact CD1-O 3.44Å; L346-H382 WeakPolarHBondContact CD2-CE1 3.48Å; L346-A384 HydrophobicContact CB-CB 4.5Å; L346-A384 VanDerWaalsContact O-CB 3.31Å; L346-A384 WeakPolarHBondContact O-CB 3.44Å
347I81.9Confident72.1Confident29 Ų2982.2 Ų82.215%0.14943%0.429CS..SBendtrans-122.7138176-57.8174.3000108.3E345 R349 F362 P432E345-I347 WeakPolarHBondContact CG-O 3.15Å; I347-R349 PolarHBondContact O-N 3.42Å; I347-F362 HydrophobicContact CD1-CB 3.66Å; I347-F362 HydrophobicContact CD1-CD1 4.28Å; I347-F362 HydrophobicContact CD1-CG 4.02Å; I347-F362 HydrophobicContact CG1-CD1 4.34Å; I347-P432 HydrophobicContact CD1-CG 4.45Å; I347-P432 HydrophobicContact CG2-CG 4.05Å
348L79.8Confident69.9Low7 Ų785.1 Ų85.14%0.03745%0.446CS..  trans-67.9119.1-177.6-54.1178.6000110.1V350 P430 P516 V518 L536 R539L348-V350 PolarHBondContact O-N 3.34Å; L348-P430 WeakPolarHBondContact CB-O 3.38Å; L348-P430 HydrophobicContact CD1-CB 3.8Å; L348-P430 HydrophobicContact CG-CB 4.46Å; L348-P516 HydrophobicContact CD1-CG 4.42Å; L348-P516 HydrophobicContact CD2-CG 3.7Å; L348-V518 HydrophobicContact CD1-CG2 3.98Å; L348-L536 HydrophobicContact CD1-CD2 3.93Å; L348-R539 VanDerWaalsContact CD2-NH1 3.26Å
349R71.9Confident67.8Low171 Ų17191.8 Ų91.865%0.64548%0.476SS*.  trans-68115.7174.3-62.4-173.5-176.5-172.53.7108.7E343 E345 I347 R539E343-R349 IonicContact OE1-NH2 2.61Å; E343-R349 PolarHBondContact OE1-NH2 3.37Å; E345-R349 PolarHBondContact OE1-N 3.22Å; I347-R349 PolarHBondContact O-N 3.42Å; R349-R539 VanDerWaalsContact O-CD 3.24Å; R349-R539 WeakPolarHBondContact O-CD 3.26Å; R349-R539 PolarHBondContact O-NE 3.5Å
350V65.6Low65.9Low35 Ų3594.4 Ų94.421%0.21249%0.487CS..  trans-108.6138.9176.4172.10000107.6L348 A352 L431 Q535 L536L348-V350 PolarHBondContact O-N 3.34Å; V350-A352 PolarHBondContact O-N 3Å; V350-L431 HydrophobicContact CG2-CD2 3.98Å; V350-Q535 HydrophobicContact CG1-CB 3.48Å; V350-Q535 VanDerWaalsContact CG1-CB 3.48Å; V350-Q535 HydrophobicContact CG1-CG 3.58Å; V350-L536 HydrophobicContact CG2-CD2 4.29Å
351A57.3Low64.6Low95 Ų9599.7 Ų99.779%0.78552%0.516SS*.  trans-64.299.5170.300000109.2
352A49.3Very low63.9Low80 Ų8098.5 Ų98.566%0.66150%0.504SS*.  trans-83.4154.6162.900000109.1V350V350-A352 PolarHBondContact O-N 3Å
353E41.8Very low63.4Low182 Ų182100.8 Ų100.885%0.8552%0.518SS*.  trans-56.3157.9171.9-63.8-179.7167.900110.4D355E353-D355 PolarHBondContact O-N 2.71Å
354E42.3Very low63.1Low203 Ų20395.7 Ų95.795%0.94949%0.494SS*.SBendtrans-55.928.4-164-55.9179.2146.800118.7
355D42.8Very low63Low149 Ų14998.6 Ų98.680%0.79751%0.514SS*.SBendtrans-90.1134.9165.8-69-34.9000109E353E353-D355 PolarHBondContact O-N 2.71Å
356E42.5Very low63.4Low181 Ų18196.2 Ų96.285%0.84650%0.502SS*.  trans-40.1139.8-174.4-66.1-170.2156.700113Q358E356-Q358 PolarHBondContact O-N 2.72Å
357P43.6Very low63.8Low113 Ų11398.6 Ų98.673%0.73451%0.512SS*.  trans-60.1101.8174.326.6-32.2000107.9E359P357-E359 PolarHBondContact O-N 3.49Å
358Q45.1Very low64.4Low156 Ų15698.4 Ų98.473%0.72951%0.511SS*.  trans-62.396.4160.9-109.5172.4-3.700105.4E356 F360E356-Q358 PolarHBondContact O-N 2.72Å; Q358-F360 HydrophobicContact CB-CD2 4.05Å; Q358-F360 HydrophobicContact CB-CE2 3.79Å; Q358-F360 WeakPolarHBondContact O-CD2 3.28Å; Q358-F360 PolarHBondContact O-N 2.54Å
359E47.4Very low65Low165 Ų16599.6 Ų99.677%0.77152%0.517SS*.  trans-58.689.6166.8-71.5-179.5166.100106.6P357 D361P357-E359 PolarHBondContact O-N 3.49Å; E359-D361 PolarHBondContact O-N 2.8Å; E359-D361 VanDerWaalsContact O-N 3.12Å
360F50.8Low65.9Low138 Ų13896.4 Ų96.461%0.60551%0.505SS*.  trans-74.399.4166.7-81.2-82000106.1Q358 F362Q358-F360 HydrophobicContact CB-CD2 4.05Å; Q358-F360 HydrophobicContact CB-CE2 3.79Å; Q358-F360 WeakPolarHBondContact O-CD2 3.28Å; Q358-F360 PolarHBondContact O-N 2.54Å; F360-F362 PolarHBondContact O-N 3.13Å
361D61Low67.1Low134 Ų13495.1 Ų95.172%0.71750%0.497SS*.  trans-63.274.5173.4-65.2-26.5000110.3E359 T363E359-D361 PolarHBondContact O-N 2.8Å; E359-D361 VanDerWaalsContact O-N 3.12Å; D361-T363 PolarHBondContact O-N 3.13Å
362F75.8Confident68.3Low36 Ų3694.9 Ų94.916%0.15849%0.487CS..  trans-75.8104.8172175.6-106000108.6L346 I347 F360 C364 E383 A384 R429L346-F362 HydrophobicContact CB-CD1 4.17Å; L346-F362 HydrophobicContact CD1-CD1 4.14Å; L346-F362 WeakPolarHBondContact CD1-O 3.44Å; I347-F362 HydrophobicContact CD1-CB 3.66Å; I347-F362 HydrophobicContact CD1-CD1 4.28Å; I347-F362 HydrophobicContact CD1-CG 4.02Å; I347-F362 HydrophobicContact CG1-CD1 4.34Å; F360-F362 PolarHBondContact O-N 3.13Å; F362-C364 HydrophobicContact CE1-CB 3.88Å; F362-C364 VanDerWaalsContact CE1-SG 3.58Å; F362-C364 HydrophobicContact CZ-CB 3.77Å; F362-E383 HydrophobicContact CZ-CB 4.23Å; F362-E383 HydrophobicContact CZ-CG 4.45Å; F362-A384 HydrophobicContact CE1-CB 3.72Å; F362-A384 HydrophobicContact CZ-CB 4.4Å; F362-R429 VanDerWaalsContact CD2-NH1 3.25Å
363T81Confident69.9Low65 Ų6594.4 Ų94.440%0.39947%0.473SS..  trans-98.7139173.562.70000110.9E308 T309 D361E308-T363 CarbonylContact O-C 3.59Å; E308-T363 WeakPolarHBondContact O-CA 3.41Å; T309-T363 HydrophobicContact CG2-CG2 3.81Å; D361-T363 PolarHBondContact O-N 3.13Å
364C84.9Confident71.9Confident1 Ų186 Ų861%0.00743%0.434CS..  trans-151.7142.1171.766.50000111E308 F362 I366 E383E308-C364 WeakPolarHBondContact CA-O 3.47Å; E308-C364 PolarHBondContact O-N 3.28Å; F362-C364 HydrophobicContact CE1-CB 3.88Å; F362-C364 VanDerWaalsContact CE1-SG 3.58Å; F362-C364 HydrophobicContact CZ-CB 3.77Å; C364-I366 PolarHBondContact O-N 2.97Å; C364-E383 HydrophobicContact CB-CB 3.89Å
365P89Confident73.8Confident66 Ų6679.4 Ų79.443%0.42941%0.409SS..  trans-66.2131.5-179.726.5-34.4000111.1C291C291-P365 HydrophobicContact CB-CB 4.49Å
366I93Very high75.8Confident3 Ų373.3 Ų73.32%0.01538%0.376CS..  trans-94.6134.5179.5-60.2177.3000109.5C291 A292 A306 T307 L312 L344 C364 L368 C380 H382C291-I366 PolarHBondContact SG-N 3.47Å; A292-I366 WeakPolarHBondContact CB-O 3.28Å; A306-I366 HydrophobicContact CB-CB 4.12Å; A306-I366 HydrophobicContact CB-CD1 4.38Å; A306-I366 HydrophobicContact CB-CG2 4.2Å; T307-I366 VanDerWaalsContact O-CD1 3.27Å; T307-I366 WeakPolarHBondContact O-CD1 3.19Å; L312-I366 HydrophobicContact CD2-CD1 4.34Å; L344-I366 HydrophobicContact CD1-CD1 4.04Å; C364-I366 PolarHBondContact O-N 2.97Å; I366-L368 HydrophobicContact CG2-CD2 4Å; I366-C380 HydrophobicContact CG2-CB 3.87Å; I366-H382 HydrophobicContact CG1-CB 4.24Å
367K92.9Very high78Confident61 Ų6165.3 Ų65.327%0.26534%0.338SS..EExtended strand (participates in β ladder)trans-105.7129.8167.7-68177.7174.5176.10109.9A38 H369 C380 T381A38-K367 PolarHBondContact O-NZ 2.87Å; K367-H369 PolarHBondContact O-CD2 3Å; K367-C380 CarbonylContact O-C 3.56Å; K367-C380 WeakPolarHBondContact O-CA 3.21Å; K367-T381 WeakPolarHBondContact CB-OG1 3.42Å; K367-T381 PolarHBondContact N-O 3.13Å; K367-T381 PolarHBondContact O-N 3.19Å
368L95Very high80.4Confident25 Ų2560 Ų6013%0.13130%0.303CS..EExtended strand (participates in β ladder)trans-98.9134.4-179.6-59.5173.9000110.2A292 L294 V304 A306 L312 I366 Y378 H379 C380A292-L368 HydrophobicContact CB-CD1 4.12Å; A292-L368 HydrophobicContact CB-CG 4.17Å; L294-L368 HydrophobicContact CB-CB 3.85Å; L294-L368 HydrophobicContact CB-CD1 3.61Å; L294-L368 HydrophobicContact CB-CG 4.38Å; L294-L368 HydrophobicContact CD2-CB 4.12Å; L294-L368 HydrophobicContact CG-CB 4.38Å; V304-L368 HydrophobicContact CB-CD1 4.34Å; V304-L368 HydrophobicContact CG1-CD1 4.16Å; A306-L368 HydrophobicContact CB-CD1 4.04Å; A306-L368 HydrophobicContact CB-CD2 4.22Å; A306-L368 HydrophobicContact CB-CG 4.29Å; L312-L368 HydrophobicContact CD2-CD2 4.31Å; I366-L368 HydrophobicContact CG2-CD2 4Å; L368-Y378 HydrophobicContact CD2-CD2 4.12Å; L368-Y378 HydrophobicContact CD2-CE2 3.85Å; L368-H379 CarbonylContact C-O 3.59Å; L368-C380 VanDerWaalsContact CD2-SG 3.57Å
369H92.9Very high82.7Confident32 Ų3252.5 Ų52.515%0.14827%0.269CS..EExtended strand (participates in β ladder)trans-127125-179.7-55.7-97.5000109.8K367 Y378 H379 T381 F442K367-H369 PolarHBondContact O-CD2 3Å; H369-Y378 CarbonylContact O-C 3.57Å; H369-Y378 WeakPolarHBondContact O-CA 3.41Å; H369-Y378 WeakPolarHBondContact O-CB 3.3Å; H369-H379 HydrophobicContact CB-CB 4.34Å; H369-H379 PolarHBondContact N-O 2.92Å; H369-H379 PolarHBondContact O-N 2.85Å; H369-T381 VanDerWaalsContact NE2-CG2 3.33Å; H369-T381 WeakPolarHBondContact NE2-CG2 3.36Å; H369-T381 PolarHBondContact NE2-OG1 2.85Å; H369-F442 HydrophobicContact CB-CD1 4.17Å; H369-F442 HydrophobicContact CB-CE1 3.93Å; H369-F442 AromaticContact CD2-CD1 3.78Å; H369-F442 AromaticContact CE1-CD1 3.98Å; H369-F442 AromaticContact CG-CD1 3.7Å; H369-F442 AromaticContact CG-CE1 3.95Å; H369-F442 AromaticContact ND1-CD1 3.84Å; H369-F442 AromaticContact NE2-CD1 3.95Å
370R91Very high84.9Confident104 Ų10444.7 Ų44.739%0.39223%0.232SC..EExtended strand (participates in β ladder)trans-66.3139.7172.7-58.5-177.3-179166.70.1109.6D223 F224 L294 C295 P372D223-R370 IonicContact OD1-CZ 2.65Å; D223-R370 IonicContact OD1-NH2 2.81Å; D223-R370 PolarHBondContact OD1-NH2 3.43Å; D223-R370 IonicContact OD2-CZ 3.83Å; D223-R370 IonicContact OD2-NE 3.1Å; D223-R370 IonicContact OD2-NH2 3.01Å; D223-R370 PolarHBondContact OD2-NH2 2.9Å; F224-R370 PolarHBondContact O-NH2 2.84Å; L294-R370 HydrophobicContact CD1-CG 3.52Å; L294-R370 HydrophobicContact CD2-CG 4.04Å; L294-R370 HydrophobicContact CG-CG 4.15Å; C295-R370 PolarHBondContact O-NE 2.68Å; C295-R370 PolarHBondContact O-NH2 2.95Å; R370-P372 WeakPolarHBondContact O-CD 3.48Å
371D88.9Confident86.9Confident9 Ų938.1 Ų38.15%0.04820%0.203CC..  trans-83.5117.1168.8-178.25.5000110.1L373 C374 R377 I444D371-L373 PolarHBondContact O-N 3.19Å; D371-L373 WeakPolarHBondContact OD1-CB 3.26Å; D371-L373 PolarHBondContact OD1-N 3.05Å; D371-C374 WeakPolarHBondContact OD2-CB 3.44Å; D371-C374 PolarHBondContact OD2-N 3.01Å; D371-R377 HydrophobicContact CB-CB 4.2Å; D371-R377 HydrophobicContact CB-CG 4.46Å; D371-R377 WeakPolarHBondContact CB-O 3.49Å; D371-R377 PolarHBondContact N-O 3.37Å; D371-R377 IonicContact OD2-CZ 2.66Å; D371-R377 IonicContact OD2-NE 2.71Å; D371-R377 PolarHBondContact OD2-NE 3.37Å; D371-R377 IonicContact OD2-NH2 2.62Å; D371-R377 PolarHBondContact OD2-NH2 2.85Å; D371-I444 HydrophobicContact CB-CD1 4.28Å
372P83.7Confident88.3Confident90 Ų9031.8 Ų31.858%0.58417%0.169SC*.SBendtrans-67-17.117728.8-35.9000113.4R370 I444R370-P372 WeakPolarHBondContact O-CD 3.48Å; P372-I444 HydrophobicContact CG-CB 4.31Å; P372-I444 HydrophobicContact CG-CG2 4.2Å
373L83.1Confident88.9Confident69 Ų6932.1 Ų32.136%0.36117%0.171SC..SBendtrans-93.5-26.1-176.8-69.7173000113.9D371 I444 A452 L468D371-L373 PolarHBondContact O-N 3.19Å; D371-L373 WeakPolarHBondContact OD1-CB 3.26Å; D371-L373 PolarHBondContact OD1-N 3.05Å; L373-I444 HydrophobicContact CD1-CG2 3.9Å; L373-I444 HydrophobicContact CG-CG2 4.44Å; L373-A452 HydrophobicContact CD1-CB 3.36Å; L373-L468 HydrophobicContact CD1-CD1 4.31Å
374C82.6Confident89.1Confident5 Ų529 Ų293%0.03415%0.153CC..  trans-144.8109.9-173.4-171.70000110.4D371 Q376 R377D371-C374 WeakPolarHBondContact OD2-CB 3.44Å; D371-C374 PolarHBondContact OD2-N 3.01Å; C374-Q376 PolarHBondContact O-N 3.24Å; C374-Q376 VanDerWaalsContact O-N 3.08Å; C374-R377 HydrophobicContact CB-CB 4.05Å; C374-R377 PolarHBondContact O-N 2.98Å
375P83.1Confident89.3Confident66 Ų6629 Ų2943%0.42915%0.152SC..THydrogen-bonded Turntrans-66.7-14.4-178.828.1-35.4000113.3R377P375-R377 VanDerWaalsContact C-N 3.29Å
376Q84.4Confident89.5Confident21 Ų2125.9 Ų25.910%0.09813%0.132CC..THydrogen-bonded Turntrans-870.4176.9-60.8169.77.900112.3C374 G390 L391 L394 N395C374-Q376 PolarHBondContact O-N 3.24Å; C374-Q376 VanDerWaalsContact O-N 3.08Å; Q376-G390 CarbonylContact O-C 3.48Å; Q376-G390 WeakPolarHBondContact O-CA 3.33Å; Q376-L391 PolarHBondContact O-N 2.75Å; Q376-L394 HydrophobicContact CG-CB 4.17Å; Q376-L394 HydrophobicContact CG-CD2 4.02Å; Q376-L394 HydrophobicContact CG-CG 4.23Å; Q376-N395 VanDerWaalsContact NE2-CB 3.35Å
377R88.9Confident89.4Confident13 Ų1325.8 Ų25.85%0.04913%0.131CC..EExtended strand (participates in β ladder)trans-129.1144.9-175.5-173.9169.361.1173.41.9110.5D371 C374 P375 S388 V389 S470D371-R377 HydrophobicContact CB-CB 4.2Å; D371-R377 HydrophobicContact CB-CG 4.46Å; D371-R377 WeakPolarHBondContact CB-O 3.49Å; D371-R377 PolarHBondContact N-O 3.37Å; D371-R377 IonicContact OD2-CZ 2.66Å; D371-R377 IonicContact OD2-NE 2.71Å; D371-R377 PolarHBondContact OD2-NE 3.37Å; D371-R377 IonicContact OD2-NH2 2.62Å; D371-R377 PolarHBondContact OD2-NH2 2.85Å; C374-R377 HydrophobicContact CB-CB 4.05Å; C374-R377 PolarHBondContact O-N 2.98Å; P375-R377 VanDerWaalsContact C-N 3.29Å; R377-S388 WeakPolarHBondContact CD-OG 3.22Å; R377-V389 WeakPolarHBondContact CA-O 3.36Å; R377-V389 WeakPolarHBondContact CG-O 3.47Å; R377-S470 PolarHBondContact NH1-OG 3.31Å
378Y93.2Very high89.4Confident0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-145.5167170.269.8-86.3000109.1L294 V304 L312 H314 L368 H369 C380 V389 L391L294-Y378 HydrophobicContact CD2-CD2 4.34Å; L294-Y378 HydrophobicContact CD2-CG 4.19Å; V304-Y378 HydrophobicContact CG1-CE1 4.36Å; V304-Y378 HydrophobicContact CG1-CE2 3.97Å; V304-Y378 HydrophobicContact CG2-CE1 4.13Å; L312-Y378 HydrophobicContact CD1-CE2 4.47Å; L312-Y378 WeakPolarHBondContact CD1-OH 3.49Å; H314-Y378 PolarHBondContact CE1-OH 2.9Å; H314-Y378 AromaticContact NE2-CE1 3.57Å; H314-Y378 AromaticContact NE2-CZ 3.54Å; H314-Y378 PolarHBondContact NE2-OH 3.44Å; L368-Y378 HydrophobicContact CD2-CD2 4.12Å; L368-Y378 HydrophobicContact CD2-CE2 3.85Å; H369-Y378 CarbonylContact O-C 3.57Å; H369-Y378 WeakPolarHBondContact O-CA 3.41Å; H369-Y378 WeakPolarHBondContact O-CB 3.3Å; Y378-C380 VanDerWaalsContact CE2-SG 3.6Å; Y378-V389 HydrophobicContact CD1-CB 4.27Å; Y378-V389 HydrophobicContact CE1-CB 3.64Å; Y378-V389 HydrophobicContact CE1-CG1 3.71Å; Y378-V389 HydrophobicContact CE2-CB 4.01Å; Y378-V389 HydrophobicContact CE2-CG2 4.13Å; Y378-V389 VanDerWaalsContact CZ-CB 3.49Å; Y378-V389 PolarHBondContact N-O 3.41Å; Y378-V389 PolarHBondContact O-N 2.89Å; Y378-V389 VanDerWaalsContact O-O 3.1Å; Y378-V389 WeakPolarHBondContact OH-CG1 3.45Å; Y378-L391 HydrophobicContact CE1-CD2 4.4Å
379H93.7Very high89.2Confident0 Ų021.8 Ų21.80%011%0.113CC..EExtended strand (participates in β ladder)trans-124.9141.2-174-58.8-88.5000110.7L368 H369 H387 S388 F442 I444L368-H379 CarbonylContact C-O 3.59Å; H369-H379 HydrophobicContact CB-CB 4.34Å; H369-H379 PolarHBondContact N-O 2.92Å; H369-H379 PolarHBondContact O-N 2.85Å; H379-H387 CarbonylContact C-O 3.54Å; H379-H387 WeakPolarHBondContact CA-O 3.39Å; H379-S388 PolarHBondContact CE1-OG 2.9Å; H379-S388 WeakPolarHBondContact ND1-CB 3.38Å; H379-S388 PolarHBondContact ND1-OG 2.91Å; H379-F442 HydrophobicContact CB-CE1 3.64Å; H379-F442 HydrophobicContact CB-CE2 4.48Å; H379-F442 HydrophobicContact CB-CZ 3.46Å; H379-F442 VanDerWaalsContact CB-CZ 3.46Å; H379-F442 AromaticContact CG-CZ 3.62Å; H379-I444 WeakPolarHBondContact CD2-CD1 3.48Å; H379-I444 WeakPolarHBondContact NE2-CD1 3.24Å
380C94.2Very high89Confident0 Ų020.2 Ų20.20%011%0.106CC..EExtended strand (participates in β ladder)trans-108.9125.3176.7-57.60000108.2L344 I366 K367 L368 Y378 V386 H387L344-C380 HydrophobicContact CD1-CB 4.1Å; I366-C380 HydrophobicContact CG2-CB 3.87Å; K367-C380 CarbonylContact O-C 3.56Å; K367-C380 WeakPolarHBondContact O-CA 3.21Å; L368-C380 VanDerWaalsContact CD2-SG 3.57Å; Y378-C380 VanDerWaalsContact CE2-SG 3.6Å; C380-V386 VanDerWaalsContact O-CA 3.3Å; C380-V386 WeakPolarHBondContact O-CA 3.41Å; C380-H387 HydrophobicContact CB-CB 4.33Å; C380-H387 PolarHBondContact N-O 3.44Å; C380-H387 PolarHBondContact O-N 2.77Å
381T93.3Very high88.9Confident1 Ų115.3 Ų15.31%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-114.8131.5169.362.90000109K367 H369 V386 V439 F442K367-T381 WeakPolarHBondContact CB-OG1 3.42Å; K367-T381 PolarHBondContact N-O 3.13Å; K367-T381 PolarHBondContact O-N 3.19Å; H369-T381 VanDerWaalsContact NE2-CG2 3.33Å; H369-T381 WeakPolarHBondContact NE2-CG2 3.36Å; H369-T381 PolarHBondContact NE2-OG1 2.85Å; T381-V386 HydrophobicContact CG2-CG1 4.43Å; T381-V386 HydrophobicContact CG2-CG2 4.2Å; T381-V439 HydrophobicContact CG2-CG1 4.37Å; T381-F442 HydrophobicContact CG2-CB 3.59Å; T381-F442 HydrophobicContact CG2-CD1 3.83Å; T381-F442 HydrophobicContact CG2-CD2 3.78Å; T381-F442 HydrophobicContact CG2-CE2 4.44Å; T381-F442 HydrophobicContact CG2-CG 3.43Å; T381-F442 VanDerWaalsContact CG2-CG 3.43Å
382H90.7Very high88.5Confident0 Ų017 Ų170%010%0.096CC..EExtended strand (participates in β ladder)trans-146-176.2179.961.698.6000109.5L346 I366 A384 G385 H387L346-H382 WeakPolarHBondContact CD2-CE1 3.48Å; I366-H382 HydrophobicContact CG1-CB 4.24Å; H382-A384 VanDerWaalsContact C-N 3.31Å; H382-A384 VanDerWaalsContact CE1-C 3.44Å; H382-A384 PolarHBondContact ND1-N 2.99Å; H382-A384 VanDerWaalsContact ND1-N 3.18Å; H382-A384 PolarHBondContact O-N 3.5Å; H382-G385 PolarHBondContact CD2-O 3.45Å; H382-G385 VanDerWaalsContact CD2-O 3.26Å; H382-G385 PolarHBondContact CE1-N 3.01Å; H382-G385 PolarHBondContact N-O 3.27Å; H382-G385 PolarHBondContact ND1-N 3.5Å; H382-G385 PolarHBondContact NE2-O 2.62Å; H382-H387 AromaticContact CD2-ND1 3.86Å; H382-H387 AromaticContact CE1-CE1 3.82Å; H382-H387 AromaticContact NE2-CE1 3.15Å; H382-H387 PolarHBondContact NE2-CE1 2.79Å; H382-H387 AromaticContact NE2-ND1 3.05Å; H382-H387 PolarHBondContact NE2-ND1 2.78Å
383E87.3Confident88.5Confident44 Ų4412.8 Ų12.821%0.2067%0.068CC..THydrogen-bonded Turntrans-65-36.3-175.5-171.4-172.7139.700112.6F362 C364 T428 S436 P438F362-E383 HydrophobicContact CZ-CB 4.23Å; F362-E383 HydrophobicContact CZ-CG 4.45Å; C364-E383 HydrophobicContact CB-CB 3.89Å; E383-T428 PolarHBondContact O-OG1 2.91Å; E383-S436 VanDerWaalsContact CD-OG 3.28Å; E383-S436 VanDerWaalsContact CG-OG 3.22Å; E383-S436 WeakPolarHBondContact CG-OG 3.27Å; E383-S436 WeakPolarHBondContact OE1-CB 3.38Å; E383-S436 PolarHBondContact OE1-OG 2.79Å; E383-P438 HydrophobicContact CG-CB 4.1Å; E383-P438 HydrophobicContact CG-CG 4.4Å
384A86Confident88.6Confident0 Ų09.6 Ų9.60%05%0.052CC..THydrogen-bonded Turntrans-90-5-176.200000115L346 F362 H382 T428 R429L346-A384 HydrophobicContact CB-CB 4.5Å; L346-A384 VanDerWaalsContact O-CB 3.31Å; L346-A384 WeakPolarHBondContact O-CB 3.44Å; F362-A384 HydrophobicContact CE1-CB 3.72Å; F362-A384 HydrophobicContact CZ-CB 4.4Å; H382-A384 VanDerWaalsContact C-N 3.31Å; H382-A384 VanDerWaalsContact CE1-C 3.44Å; H382-A384 PolarHBondContact ND1-N 2.99Å; H382-A384 VanDerWaalsContact ND1-N 3.18Å; H382-A384 PolarHBondContact O-N 3.5Å; A384-T428 WeakPolarHBondContact CA-OG1 3.36Å; A384-T428 PolarHBondContact O-N 3.38Å; A384-T428 PolarHBondContact O-OG1 3.48Å; A384-T428 VanDerWaalsContact O-OG1 3.09Å; A384-R429 HydrophobicContact CB-CB 3.82Å; A384-R429 PolarHBondContact O-N 3.36Å
385G89.3Confident88.4Confident0 Ų011.3 Ų11.30%06%0.06CC..EExtended strand (participates in β ladder)trans163.9-166.8-176.800000117.8H382 L426 T428H382-G385 PolarHBondContact CD2-O 3.45Å; H382-G385 VanDerWaalsContact CD2-O 3.26Å; H382-G385 PolarHBondContact CE1-N 3.01Å; H382-G385 PolarHBondContact N-O 3.27Å; H382-G385 PolarHBondContact ND1-N 3.5Å; H382-G385 PolarHBondContact NE2-O 2.62Å; G385-L426 CarbonylContact C-O 3.51Å; G385-L426 WeakPolarHBondContact CA-O 3.48Å; G385-T428 PolarHBondContact N-OG1 3.22Å
386V92Very high88.2Confident0 Ų011.5 Ų11.50%06%0.055CC..EExtended strand (participates in β ladder)trans-129.2126.7171.7-176.50000109.2C380 T381 I425 L426 V439 F442 M454C380-V386 VanDerWaalsContact O-CA 3.3Å; C380-V386 WeakPolarHBondContact O-CA 3.41Å; T381-V386 HydrophobicContact CG2-CG1 4.43Å; T381-V386 HydrophobicContact CG2-CG2 4.2Å; V386-I425 PolarHBondContact O-N 3.3Å; V386-L426 HydrophobicContact CB-CB 4.02Å; V386-L426 HydrophobicContact CG2-CB 4.2Å; V386-L426 HydrophobicContact CG2-CD2 4.24Å; V386-L426 PolarHBondContact N-O 2.92Å; V386-L426 PolarHBondContact O-N 3.29Å; V386-L426 VanDerWaalsContact O-N 3.15Å; V386-V439 HydrophobicContact CG2-CG2 3.72Å; V386-F442 HydrophobicContact CG1-CD2 4.1Å; V386-F442 HydrophobicContact CG1-CE2 3.63Å; V386-F442 HydrophobicContact CG1-CZ 4.36Å; V386-F442 HydrophobicContact CG2-CD2 4.36Å; V386-M454 HydrophobicContact CG1-SD 4.36Å
387H91.9Very high88.1Confident1 Ų111.4 Ų11.41%0.0056%0.055CC..EExtended strand (participates in β ladder)trans-115.3148172.1-61.362.1000109.8L344 E345 H379 C380 H382 E423 H424L344-H387 HydrophobicContact CD1-CB 4.39Å; L344-H387 HydrophobicContact CD2-CB 4.09Å; E345-H387 PolarHBondContact O-NE2 3Å; H379-H387 CarbonylContact C-O 3.54Å; H379-H387 WeakPolarHBondContact CA-O 3.39Å; C380-H387 HydrophobicContact CB-CB 4.33Å; C380-H387 PolarHBondContact N-O 3.44Å; C380-H387 PolarHBondContact O-N 2.77Å; H382-H387 AromaticContact CD2-ND1 3.86Å; H382-H387 AromaticContact CE1-CE1 3.82Å; H382-H387 AromaticContact NE2-CE1 3.15Å; H382-H387 PolarHBondContact NE2-CE1 2.79Å; H382-H387 AromaticContact NE2-ND1 3.05Å; H382-H387 PolarHBondContact NE2-ND1 2.78Å; H387-E423 CarbonylContact C-O 3.46Å; H387-E423 VanDerWaalsContact CA-O 3.31Å; H387-E423 WeakPolarHBondContact CA-O 3.46Å; H387-H424 AromaticContact CD2-CG 3.86Å; H387-H424 AromaticContact CE1-CD2 3.51Å; H387-H424 AromaticContact CE1-CE1 3.83Å; H387-H424 AromaticContact CE1-CG 3.81Å; H387-H424 AromaticContact CE1-ND1 3.99Å; H387-H424 AromaticContact CE1-NE2 3.58Å; H387-H424 AromaticContact ND1-CD2 3.99Å; H387-H424 AromaticContact NE2-CD2 3.58Å; H387-H424 AromaticContact NE2-CE1 3.8Å; H387-H424 AromaticContact NE2-CG 3.38Å; H387-H424 AromaticContact NE2-ND1 3.53Å; H387-H424 AromaticContact NE2-NE2 3.89Å
388S91.6Very high87.8Confident2 Ų213.2 Ų13.21%0.0146%0.064CC..EExtended strand (participates in β ladder)trans-114.2130.1169.1178.60000108.1R377 H379 E423 I425R377-S388 WeakPolarHBondContact CD-OG 3.22Å; H379-S388 PolarHBondContact CE1-OG 2.9Å; H379-S388 WeakPolarHBondContact ND1-CB 3.38Å; H379-S388 PolarHBondContact ND1-OG 2.91Å; S388-E423 PolarHBondContact N-O 3.04Å; S388-E423 PolarHBondContact O-N 2.85Å; S388-I425 VanDerWaalsContact CB-CD1 3.49Å
389V91.7Very high87.1Confident0 Ų019.4 Ų19.40%09%0.091CC..EExtended strand (participates in β ladder)trans-118.7134.7178.5-175.40000107.8L312 L344 R377 Y378 L391 C420 I421 V422L312-V389 HydrophobicContact CD1-CG2 3.86Å; L344-V389 HydrophobicContact CD2-CG2 4.44Å; R377-V389 WeakPolarHBondContact CA-O 3.36Å; R377-V389 WeakPolarHBondContact CG-O 3.47Å; Y378-V389 HydrophobicContact CD1-CB 4.27Å; Y378-V389 HydrophobicContact CE1-CB 3.64Å; Y378-V389 HydrophobicContact CE1-CG1 3.71Å; Y378-V389 HydrophobicContact CE2-CB 4.01Å; Y378-V389 HydrophobicContact CE2-CG2 4.13Å; Y378-V389 VanDerWaalsContact CZ-CB 3.49Å; Y378-V389 PolarHBondContact N-O 3.41Å; Y378-V389 PolarHBondContact O-N 2.89Å; Y378-V389 VanDerWaalsContact O-O 3.1Å; Y378-V389 WeakPolarHBondContact OH-CG1 3.45Å; V389-L391 HydrophobicContact CG1-CD2 4.41Å; V389-C420 HydrophobicContact CG1-CB 4.11Å; V389-I421 WeakPolarHBondContact CA-O 3.46Å; V389-V422 HydrophobicContact CG1-CG2 4.41Å; V389-V422 HydrophobicContact CG2-CG1 4.41Å; V389-V422 HydrophobicContact CG2-CG2 4.35Å
390G89.4Confident86.5Confident0 Ų022 Ų220%010%0.102CC..EExtended strand (participates in β ladder)trans-138.1140.816800000115.9Q376 I392 C420 I421Q376-G390 CarbonylContact O-C 3.48Å; Q376-G390 WeakPolarHBondContact O-CA 3.33Å; G390-I392 PolarHBondContact O-N 3.1Å; G390-C420 WeakPolarHBondContact O-CA 3.22Å; G390-C420 WeakPolarHBondContact O-CB 3.11Å; G390-I421 PolarHBondContact N-O 2.96Å; G390-I421 PolarHBondContact O-N 2.91Å
391L88.1Confident85.9Confident0 Ų026.2 Ų26.20%012%0.124CC..  trans-95.180.8-167.7-51.4-176.5000108.9L296 I302 Q376 Y378 V389 W393 L394 C420L296-L391 HydrophobicContact CD1-CD1 3.44Å; L296-L391 VanDerWaalsContact CD1-CD1 3.44Å; I302-L391 HydrophobicContact CG2-CD1 4.29Å; Q376-L391 PolarHBondContact O-N 2.75Å; Y378-L391 HydrophobicContact CE1-CD2 4.4Å; V389-L391 HydrophobicContact CG1-CD2 4.41Å; L391-W393 HydrophobicContact CB-CZ2 4.33Å; L391-W393 HydrophobicContact CD1-CZ2 4.04Å; L391-W393 HydrophobicContact CD2-CZ2 4.22Å; L391-W393 HydrophobicContact CG-CZ2 4.43Å; L391-W393 PolarHBondContact O-N 2.95Å; L391-L394 HydrophobicContact CB-CB 4.02Å; L391-L394 VanDerWaalsContact O-CB 3.25Å; L391-L394 WeakPolarHBondContact O-CB 3.42Å; L391-L394 PolarHBondContact O-N 2.99Å; L391-C420 HydrophobicContact CD2-CB 3.91Å
392I80.8Confident85.3Confident44 Ų4433.5 Ų33.523%0.22616%0.157CC..Hα-helixtrans-64.2-24.5-179.553.5174.3000113G390 L394 K418 I421 I472G390-I392 PolarHBondContact O-N 3.1Å; I392-L394 VanDerWaalsContact C-N 3.31Å; I392-K418 HydrophobicContact CD1-CB 3.39Å; I392-K418 HydrophobicContact CD1-CD 3.96Å; I392-K418 HydrophobicContact CD1-CG 4.28Å; I392-K418 HydrophobicContact CG1-CB 4.32Å; I392-I421 HydrophobicContact CD1-CD1 4.21Å; I392-I421 HydrophobicContact CD1-CG1 4.21Å; I392-I421 HydrophobicContact CG2-CD1 3.87Å; I392-I421 HydrophobicContact CG2-CG1 4.41Å; I392-I472 HydrophobicContact CG2-CD1 4.41Å; I392-I472 HydrophobicContact CG2-CG1 4.21Å; I392-I472 HydrophobicContact CG2-CG2 4.3Å
393W84.1Confident84.7Confident2 Ų235.7 Ų35.71%0.00817%0.173CC..Hα-helixtrans-72.4-21.8174.556.6-100.5000112.7I302 H314 V316 F339 E340 L391 N395 K396 L397 L414I302-W393 HydrophobicContact CD1-CH2 3.52Å; I302-W393 HydrophobicContact CD1-CZ3 3.65Å; I302-W393 HydrophobicContact CG1-CH2 4.26Å; I302-W393 HydrophobicContact CG2-CH2 4.43Å; H314-W393 HydrophobicContact CB-CZ2 4.09Å; V316-W393 HydrophobicContact CG2-CH2 4.17Å; V316-W393 HydrophobicContact CG2-CZ3 4.24Å; F339-W393 HydrophobicContact CB-CH2 4.36Å; F339-W393 HydrophobicContact CB-CZ2 4.38Å; F339-W393 AromaticContact CD1-CD2 3.73Å; F339-W393 HydrophobicContact CD1-CD2 3.73Å; F339-W393 AromaticContact CD1-CE2 3.52Å; F339-W393 HydrophobicContact CD1-CE3 4.18Å; F339-W393 HydrophobicContact CD1-CG 4.13Å; F339-W393 HydrophobicContact CD1-CH2 4.21Å; F339-W393 AromaticContact CD1-CZ2 3.78Å; F339-W393 HydrophobicContact CD1-CZ2 3.78Å; F339-W393 HydrophobicContact CD1-CZ3 4.4Å; F339-W393 AromaticContact CD1-NE1 3.78Å; F339-W393 HydrophobicContact CE1-CB 4.04Å; F339-W393 AromaticContact CE1-CD1 3.7Å; F339-W393 AromaticContact CE1-CD2 3.54Å; F339-W393 HydrophobicContact CE1-CD2 3.54Å; F339-W393 AromaticContact CE1-CE2 3.78Å; F339-W393 HydrophobicContact CE1-CE3 4.06Å; F339-W393 AromaticContact CE1-CG 3.52Å; F339-W393 HydrophobicContact CE1-CG 3.52Å; F339-W393 HydrophobicContact CE1-CZ2 4.45Å; F339-W393 AromaticContact CE1-NE1 3.86Å; F339-W393 HydrophobicContact CG-CH2 4.29Å; F339-W393 HydrophobicContact CG-CZ2 4.26Å; F339-W393 HydrophobicContact CG-CZ3 4.46Å; F339-W393 HydrophobicContact CZ-CB 4.33Å; F339-W393 HydrophobicContact CZ-CD2 4.21Å; F339-W393 HydrophobicContact CZ-CE3 4.36Å; F339-W393 HydrophobicContact CZ-CG 4.21Å; E340-W393 PolarHBondContact OE1-NE1 3.3Å; L391-W393 HydrophobicContact CB-CZ2 4.33Å; L391-W393 HydrophobicContact CD1-CZ2 4.04Å; L391-W393 HydrophobicContact CD2-CZ2 4.22Å; L391-W393 HydrophobicContact CG-CZ2 4.43Å; L391-W393 PolarHBondContact O-N 2.95Å; W393-N395 VanDerWaalsContact C-N 3.32Å; W393-N395 PolarHBondContact O-N 3.06Å; W393-K396 WeakPolarHBondContact O-CB 3.48Å; W393-K396 PolarHBondContact O-N 3.17Å; W393-L397 HydrophobicContact CE3-CB 4.35Å; W393-L397 HydrophobicContact CE3-CD2 4.21Å; W393-L397 HydrophobicContact CZ3-CD2 3.74Å; W393-L397 PolarHBondContact O-N 3.2Å; W393-L414 HydrophobicContact CB-CD1 4.2Å
394L83.9Confident83.5Confident3 Ų341.5 Ų41.52%0.01621%0.206CC..Hα-helixtrans-60.5-40.1-178179.252.2000112.4C298 I302 Q376 L391 I392 K396 L397 Q398C298-L394 HydrophobicContact CB-CD1 4.22Å; C298-L394 HydrophobicContact CB-CD2 4.33Å; I302-L394 HydrophobicContact CD1-CD1 3.29Å; I302-L394 HydrophobicContact CD1-CD2 4.18Å; I302-L394 HydrophobicContact CD1-CG 4.24Å; Q376-L394 HydrophobicContact CG-CB 4.17Å; Q376-L394 HydrophobicContact CG-CD2 4.02Å; Q376-L394 HydrophobicContact CG-CG 4.23Å; L391-L394 HydrophobicContact CB-CB 4.02Å; L391-L394 VanDerWaalsContact O-CB 3.25Å; L391-L394 WeakPolarHBondContact O-CB 3.42Å; L391-L394 PolarHBondContact O-N 2.99Å; I392-L394 VanDerWaalsContact C-N 3.31Å; L394-K396 VanDerWaalsContact C-N 3.3Å; L394-K396 PolarHBondContact O-N 3.28Å; L394-L397 PolarHBondContact O-N 2.66Å; L394-Q398 HydrophobicContact CD1-CG 4.19Å; L394-Q398 WeakPolarHBondContact O-CB 3.44Å; L394-Q398 VanDerWaalsContact O-CG 3.31Å; L394-Q398 WeakPolarHBondContact O-CG 3.49Å; L394-Q398 PolarHBondContact O-N 2.71Å
395N79.2Confident82.4Confident40 Ų4048.2 Ų48.221%0.21424%0.237CC..Hα-helixtrans-61.8-40.7176-164.20.3000111.7Q376 W393 Q398 K399Q376-N395 VanDerWaalsContact NE2-CB 3.35Å; W393-N395 VanDerWaalsContact C-N 3.32Å; W393-N395 PolarHBondContact O-N 3.06Å; N395-Q398 PolarHBondContact O-N 3.05Å; N395-K399 VanDerWaalsContact O-CG 3.31Å; N395-K399 WeakPolarHBondContact O-CG 3.41Å; N395-K399 PolarHBondContact O-N 2.65Å
396K78.7Confident81Confident70 Ų7056.8 Ų56.830%0.30428%0.277SS..Hα-helixtrans-70.6-42.6180-65.4-176.1-179.3177.40111.1W393 L394 Q398 K399 F400 L414 E417W393-K396 WeakPolarHBondContact O-CB 3.48Å; W393-K396 PolarHBondContact O-N 3.17Å; L394-K396 VanDerWaalsContact C-N 3.3Å; L394-K396 PolarHBondContact O-N 3.28Å; K396-Q398 VanDerWaalsContact C-N 3.31Å; K396-Q398 PolarHBondContact O-N 3.16Å; K396-K399 PolarHBondContact O-N 3.39Å; K396-F400 WeakPolarHBondContact O-CB 3.31Å; K396-F400 PolarHBondContact O-N 3.48Å; K396-L414 HydrophobicContact CB-CD1 3.73Å; K396-E417 VanDerWaalsContact NZ-CB 3.26Å; K396-E417 IonicContact NZ-OE1 3.81Å; K396-E417 IonicContact NZ-OE2 2.98Å; K396-E417 PolarHBondContact NZ-OE2 2.81Å
397L82.8Confident79.4Confident20 Ų2060.4 Ų60.411%0.10530%0.296CS..Hα-helixtrans-57.7-46173.6179.763.7000110.8P300 V316 W393 L394 K399 F400 I401 L414P300-L397 HydrophobicContact CG-CD2 4.47Å; V316-L397 HydrophobicContact CG2-CD2 4.41Å; W393-L397 HydrophobicContact CE3-CB 4.35Å; W393-L397 HydrophobicContact CE3-CD2 4.21Å; W393-L397 HydrophobicContact CZ3-CD2 3.74Å; W393-L397 PolarHBondContact O-N 3.2Å; L394-L397 PolarHBondContact O-N 2.66Å; L397-K399 PolarHBondContact O-N 3.36Å; L397-F400 PolarHBondContact O-N 3.44Å; L397-I401 HydrophobicContact CD1-CD1 4.01Å; L397-I401 HydrophobicContact CD1-CG1 4.36Å; L397-I401 HydrophobicContact CG-CD1 4Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.47Å; L397-I401 PolarHBondContact O-N 2.96Å; L397-L414 HydrophobicContact CB-CD1 4.49Å; L397-L414 HydrophobicContact CB-CD2 4.43Å; L397-L414 HydrophobicContact CD1-CD2 3.94Å
398Q81.6Confident78Confident51 Ų5167.9 Ų67.924%0.23833%0.329CS..Hα-helixtrans-62.1-42.6176.8-75.5175.7-1600112.7L394 N395 K396 I401 Q402L394-Q398 HydrophobicContact CD1-CG 4.19Å; L394-Q398 WeakPolarHBondContact O-CB 3.44Å; L394-Q398 VanDerWaalsContact O-CG 3.31Å; L394-Q398 WeakPolarHBondContact O-CG 3.49Å; L394-Q398 PolarHBondContact O-N 2.71Å; N395-Q398 PolarHBondContact O-N 3.05Å; K396-Q398 VanDerWaalsContact C-N 3.31Å; K396-Q398 PolarHBondContact O-N 3.16Å; Q398-I401 PolarHBondContact O-N 3.2Å; Q398-Q402 VanDerWaalsContact O-CG 3.27Å; Q398-Q402 WeakPolarHBondContact O-CG 3.49Å; Q398-Q402 PolarHBondContact O-N 2.93Å
399K79.6Confident76.8Confident130 Ų13073.3 Ų73.357%0.56536%0.358SS*.Hα-helixtrans-63.5-42.8175-75177.5179.8-171.20112.1N395 K396 L397 I401 Q402 S403N395-K399 VanDerWaalsContact O-CG 3.31Å; N395-K399 WeakPolarHBondContact O-CG 3.41Å; N395-K399 PolarHBondContact O-N 2.65Å; K396-K399 PolarHBondContact O-N 3.39Å; L397-K399 PolarHBondContact O-N 3.36Å; K399-I401 VanDerWaalsContact C-N 3.35Å; K399-I401 PolarHBondContact O-N 3.49Å; K399-Q402 CarbonylContact O-C 3.6Å; K399-Q402 PolarHBondContact O-N 3.22Å; K399-Q402 VanDerWaalsContact O-N 3.16Å; K399-S403 PolarHBondContact O-N 3.39Å; K399-S403 PolarHBondContact O-OG 2.92Å
400F81.6Confident75.5Confident54 Ų5475.2 Ų75.224%0.23737%0.371CS..Hα-helixtrans-61.1-43.4178.2173.6-101.4000111.6K396 L397 Q402 S403 L411K396-F400 WeakPolarHBondContact O-CB 3.31Å; K396-F400 PolarHBondContact O-N 3.48Å; L397-F400 PolarHBondContact O-N 3.44Å; F400-Q402 PolarHBondContact O-N 3.42Å; F400-S403 WeakPolarHBondContact CA-OG 3.39Å; F400-S403 PolarHBondContact O-N 3.17Å; F400-S403 PolarHBondContact O-OG 2.76Å; F400-L411 HydrophobicContact CD1-CD2 3.96Å; F400-L411 HydrophobicContact CD2-CD2 4.36Å; F400-L411 HydrophobicContact CD2-CG 4.28Å; F400-L411 HydrophobicContact CE1-CD1 4.39Å; F400-L411 HydrophobicContact CE1-CD2 3.45Å; F400-L411 VanDerWaalsContact CE1-CD2 3.45Å; F400-L411 HydrophobicContact CE1-CG 3.96Å; F400-L411 HydrophobicContact CE2-CD1 4.19Å; F400-L411 HydrophobicContact CE2-CD2 3.9Å; F400-L411 HydrophobicContact CE2-CG 3.53Å; F400-L411 HydrophobicContact CG-CD2 4.39Å; F400-L411 HydrophobicContact CZ-CD1 3.67Å; F400-L411 HydrophobicContact CZ-CD2 3.43Å; F400-L411 VanDerWaalsContact CZ-CD2 3.43Å; F400-L411 HydrophobicContact CZ-CG 3.35Å
401I80.8Confident74.4Confident88 Ų8879.1 Ų79.145%0.45139%0.391SS..Hα-helixtrans-67-28.1177.5-66.7171.6000111.8P300 L397 Q398 K399P300-I401 HydrophobicContact CG-CD1 4.04Å; L397-I401 HydrophobicContact CD1-CD1 4.01Å; L397-I401 HydrophobicContact CD1-CG1 4.36Å; L397-I401 HydrophobicContact CG-CD1 4Å; L397-I401 VanDerWaalsContact O-CG1 3.27Å; L397-I401 WeakPolarHBondContact O-CG1 3.47Å; L397-I401 PolarHBondContact O-N 2.96Å; Q398-I401 PolarHBondContact O-N 3.2Å; K399-I401 VanDerWaalsContact C-N 3.35Å; K399-I401 PolarHBondContact O-N 3.49Å
402Q81.1Confident73.3Confident154 Ų15485.8 Ų85.872%0.7242%0.422SS*.Hα-helixtrans-83.5-21.2176.8-70.1172.79.600113.3Q398 K399 F400 N404Q398-Q402 VanDerWaalsContact O-CG 3.27Å; Q398-Q402 WeakPolarHBondContact O-CG 3.49Å; Q398-Q402 PolarHBondContact O-N 2.93Å; K399-Q402 CarbonylContact O-C 3.6Å; K399-Q402 PolarHBondContact O-N 3.22Å; K399-Q402 VanDerWaalsContact O-N 3.16Å; F400-Q402 PolarHBondContact O-N 3.42Å; Q402-N404 PolarHBondContact O-N 3.2Å
403S76.9Confident72.5Confident46 Ų4689.4 Ų89.432%0.32244%0.438SS..  trans-78114.1174.652.40000109.8K399 F400 E405K399-S403 PolarHBondContact O-N 3.39Å; K399-S403 PolarHBondContact O-OG 2.92Å; F400-S403 WeakPolarHBondContact CA-OG 3.39Å; F400-S403 PolarHBondContact O-N 3.17Å; F400-S403 PolarHBondContact O-OG 2.76Å; S403-E405 PolarHBondContact O-N 3.2Å
404N61.7Low71.8Confident167 Ų16790 Ų9089%0.89344%0.442SS*.  trans-71.3-2.6-179.9-97.65.3000114.7Q402Q402-N404 PolarHBondContact O-N 3.2Å
405E63.1Low70.8Confident141 Ų14194 Ų9466%0.65948%0.475SS*.SBendtrans-92.5138.6-178.7-66.7-70154.800109.8S403 D407S403-E405 PolarHBondContact O-N 3.2Å; E405-D407 PolarHBondContact O-N 2.79Å
406E59.7Low70Confident179 Ų17996 Ų9684%0.83650%0.497SS*.  trans-70.954.9170.4-64.9-176.4176.800111K408E406-K408 VanDerWaalsContact C-N 3.27Å; E406-K408 PolarHBondContact O-N 2.91Å
407D59.4Low69.2Low76 Ų7696 Ų9641%0.40650%0.498SS..  trans-71.685.5176.4-89.6-21.9000109.1E405 D409 S410 L411E405-D407 PolarHBondContact O-N 2.79Å; D407-D409 PolarHBondContact O-N 3.04Å; D407-S410 WeakPolarHBondContact O-CB 3.4Å; D407-S410 PolarHBondContact O-N 3.19Å; D407-L411 PolarHBondContact O-N 3.39Å
408K62.5Low68.3Low159 Ų15998.8 Ų98.869%0.69151%0.509SS*.Hα-helixtrans-53.9-31.1171.6-68.4-174.6177.6-179.60111.9E406 S410 L411 Q412E406-K408 VanDerWaalsContact C-N 3.27Å; E406-K408 PolarHBondContact O-N 2.91Å; K408-S410 VanDerWaalsContact C-N 3.34Å; K408-L411 PolarHBondContact O-N 2.89Å; K408-Q412 PolarHBondContact O-N 2.82Å; K408-Q412 VanDerWaalsContact O-N 3.07Å
409D66.1Low68Low116 Ų116106.8 Ų106.862%0.6254%0.537SS*.Hα-helixtrans-64.5-37.6176-66.5-13.8000111.6D407 Q412 E413D407-D409 PolarHBondContact O-N 3.04Å; D409-Q412 PolarHBondContact O-N 3.49Å; D409-E413 WeakPolarHBondContact O-CG 3.36Å; D409-E413 PolarHBondContact O-N 3.31Å
410S65Low68.3Low39 Ų39101.3 Ų101.327%0.27352%0.515SS..Hα-helixtrans-68.1-35177.4-68.10000112.9D407 K408 L414D407-S410 WeakPolarHBondContact O-CB 3.4Å; D407-S410 PolarHBondContact O-N 3.19Å; K408-S410 VanDerWaalsContact C-N 3.34Å; S410-L414 PolarHBondContact O-N 2.75Å
411L66.2Low68.4Low82 Ų82101 Ų10143%0.42952%0.515SS..Hα-helixtrans-68-40.3171.9-79.5172.1000111.7F400 D407 K408 E413 L414 A415F400-L411 HydrophobicContact CD1-CD2 3.96Å; F400-L411 HydrophobicContact CD2-CD2 4.36Å; F400-L411 HydrophobicContact CD2-CG 4.28Å; F400-L411 HydrophobicContact CE1-CD1 4.39Å; F400-L411 HydrophobicContact CE1-CD2 3.45Å; F400-L411 VanDerWaalsContact CE1-CD2 3.45Å; F400-L411 HydrophobicContact CE1-CG 3.96Å; F400-L411 HydrophobicContact CE2-CD1 4.19Å; F400-L411 HydrophobicContact CE2-CD2 3.9Å; F400-L411 HydrophobicContact CE2-CG 3.53Å; F400-L411 HydrophobicContact CG-CD2 4.39Å; F400-L411 HydrophobicContact CZ-CD1 3.67Å; F400-L411 HydrophobicContact CZ-CD2 3.43Å; F400-L411 VanDerWaalsContact CZ-CD2 3.43Å; F400-L411 HydrophobicContact CZ-CG 3.35Å; D407-L411 PolarHBondContact O-N 3.39Å; K408-L411 PolarHBondContact O-N 2.89Å; L411-E413 VanDerWaalsContact C-N 3.31Å; L411-L414 WeakPolarHBondContact O-CB 3.44Å; L411-L414 PolarHBondContact O-N 2.97Å; L411-A415 WeakPolarHBondContact O-CB 3.36Å; L411-A415 PolarHBondContact O-N 3.49Å
412Q63.7Low68.8Low140 Ų14098.9 Ų98.965%0.65451%0.507SS*.Hα-helixtrans-67.9-34177.5-166.1149.915.900111.4K408 D409 A415 A416K408-Q412 PolarHBondContact O-N 2.82Å; K408-Q412 VanDerWaalsContact O-N 3.07Å; D409-Q412 PolarHBondContact O-N 3.49Å; Q412-A415 PolarHBondContact O-N 3.44Å; Q412-A416 WeakPolarHBondContact O-CB 3.44Å; Q412-A416 PolarHBondContact O-N 2.98Å
413E65.9Low69Low120 Ų12092.8 Ų92.856%0.56148%0.478SS*.Hα-helixtrans-66.3-40.2168.7-75.6-174.8178.500112.9D409 L411 A415 A416 E417D409-E413 WeakPolarHBondContact O-CG 3.36Å; D409-E413 PolarHBondContact O-N 3.31Å; L411-E413 VanDerWaalsContact C-N 3.31Å; E413-A415 VanDerWaalsContact C-N 3.32Å; E413-A415 PolarHBondContact O-N 2.99Å; E413-A416 PolarHBondContact O-N 2.9Å; E413-E417 WeakPolarHBondContact O-CB 3.26Å; E413-E417 PolarHBondContact O-N 2.91Å
414L67.6Low69.5Low16 Ų1691.2 Ų91.28%0.08447%0.466CS..Hα-helixtrans-62.7-39.8174.5-174.569.2000111.5F339 W393 K396 L397 S410 L411F339-L414 HydrophobicContact CZ-CG 4.36Å; W393-L414 HydrophobicContact CB-CD1 4.2Å; K396-L414 HydrophobicContact CB-CD1 3.73Å; L397-L414 HydrophobicContact CB-CD1 4.49Å; L397-L414 HydrophobicContact CB-CD2 4.43Å; L397-L414 HydrophobicContact CD1-CD2 3.94Å; S410-L414 PolarHBondContact O-N 2.75Å; L411-L414 WeakPolarHBondContact O-CB 3.44Å; L411-L414 PolarHBondContact O-N 2.97Å
415A63.8Low70.8Confident87 Ų8784.7 Ų84.772%0.71943%0.43SS*.Hα-helixtrans-74-29.8175.900000113L411 Q412 E413L411-A415 WeakPolarHBondContact O-CB 3.36Å; L411-A415 PolarHBondContact O-N 3.49Å; Q412-A415 PolarHBondContact O-N 3.44Å; E413-A415 VanDerWaalsContact C-N 3.32Å; E413-A415 PolarHBondContact O-N 2.99Å
416A63.2Low72Confident81 Ų8178 Ų7867%0.66940%0.399SS*.Hα-helixtrans-85.2-23.7-178.600000113.9Q412 E413Q412-A416 WeakPolarHBondContact O-CB 3.44Å; Q412-A416 PolarHBondContact O-N 2.98Å; E413-A416 PolarHBondContact O-N 2.9Å
417E61.8Low73.3Confident69 Ų6969.4 Ų69.432%0.32236%0.359SS..SBendtrans-106.8118.2-177.5-90.8-164.899.800115.8K396 E413K396-E417 VanDerWaalsContact NZ-CB 3.26Å; K396-E417 IonicContact NZ-OE1 3.81Å; K396-E417 IonicContact NZ-OE2 2.98Å; K396-E417 PolarHBondContact NZ-OE2 2.81Å; E413-E417 WeakPolarHBondContact O-CB 3.26Å; E413-E417 PolarHBondContact O-N 2.91Å
418K64Low74.5Confident80 Ų8065.8 Ų65.835%0.34834%0.34SS..  trans61.1108144.1-53178.6177.5158.10118I392 T507I392-K418 HydrophobicContact CD1-CB 3.39Å; I392-K418 HydrophobicContact CD1-CD 3.96Å; I392-K418 HydrophobicContact CD1-CG 4.28Å; I392-K418 HydrophobicContact CG1-CB 4.32Å; K418-T507 PolarHBondContact NZ-OG1 2.87Å
419R75.5Confident75.5Confident219 Ų21960.4 Ų60.483%0.82632%0.315SS*.  trans-45.7153.1158.4-60.2176.8-179.2163.1-1.5111.2
420C84Confident76.2Confident15 Ų1554.9 Ų54.910%0.10129%0.285CS..  trans-52157.2169.364.20000112E340 V342 V389 G390 L391E340-C420 VanDerWaalsContact OE1-CB 3.22Å; E340-C420 WeakPolarHBondContact OE1-CB 3.37Å; E340-C420 PolarHBondContact OE2-N 2.92Å; E340-C420 PolarHBondContact OE2-SG 3.24Å; E340-C420 VanDerWaalsContact OE2-SG 3.41Å; V342-C420 WeakPolarHBondContact CG2-SG 3.4Å; V389-C420 HydrophobicContact CG1-CB 4.11Å; G390-C420 WeakPolarHBondContact O-CA 3.22Å; G390-C420 WeakPolarHBondContact O-CB 3.11Å; L391-C420 HydrophobicContact CD2-CB 3.91Å
421I85.4Confident76.8Confident46 Ų4653.5 Ų53.524%0.23628%0.275CS..EExtended strand (participates in β ladder)trans-98.1121.6174.3-61.2170.3000107.2V389 G390 I392 E423 I472V389-I421 WeakPolarHBondContact CA-O 3.46Å; G390-I421 PolarHBondContact N-O 2.96Å; G390-I421 PolarHBondContact O-N 2.91Å; I392-I421 HydrophobicContact CD1-CD1 4.21Å; I392-I421 HydrophobicContact CD1-CG1 4.21Å; I392-I421 HydrophobicContact CG2-CD1 3.87Å; I392-I421 HydrophobicContact CG2-CG1 4.41Å; I421-E423 HydrophobicContact CG2-CG 4.09Å; I421-I472 HydrophobicContact CB-CD1 4.05Å; I421-I472 HydrophobicContact CB-CG1 4.49Å; I421-I472 HydrophobicContact CD1-CD1 4.49Å; I421-I472 HydrophobicContact CD1-CG1 4.11Å
422V87.9Confident77.3Confident44 Ų4452.2 Ų52.227%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-106.3124174.2-175.70000108.8V342 L344 V389V342-V422 HydrophobicContact CG1-CG2 3.42Å; V342-V422 VanDerWaalsContact CG1-CG2 3.42Å; L344-V422 HydrophobicContact CD2-CG1 3.68Å; V389-V422 HydrophobicContact CG1-CG2 4.41Å; V389-V422 HydrophobicContact CG2-CG1 4.41Å; V389-V422 HydrophobicContact CG2-CG2 4.35Å
423E86.5Confident77.5Confident27 Ų2749.7 Ų49.713%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-114112.2174.7-52-168.6139.200109.1H387 S388 I421 I425 S471 N514H387-E423 CarbonylContact C-O 3.46Å; H387-E423 VanDerWaalsContact CA-O 3.31Å; H387-E423 WeakPolarHBondContact CA-O 3.46Å; S388-E423 PolarHBondContact N-O 3.04Å; S388-E423 PolarHBondContact O-N 2.85Å; I421-E423 HydrophobicContact CG2-CG 4.09Å; E423-I425 HydrophobicContact CB-CG1 4.42Å; E423-I425 PolarHBondContact O-N 3.41Å; E423-S471 WeakPolarHBondContact OE1-CB 3.48Å; E423-S471 PolarHBondContact OE1-OG 2.93Å; E423-N514 WeakPolarHBondContact CB-ND2 3.27Å; E423-N514 WeakPolarHBondContact CG-ND2 3.37Å
424H87.6Confident77.8Confident13 Ų1345.6 Ų45.66%0.0625%0.249CC..EExtended strand (participates in β ladder)trans-73.4104.1167-167.9168.4000107.6E345 H387 L426 C427 P516E345-H424 PolarHBondContact O-CE1 2.92Å; E345-H424 PolarHBondContact O-ND1 2.84Å; H387-H424 AromaticContact CD2-CG 3.86Å; H387-H424 AromaticContact CE1-CD2 3.51Å; H387-H424 AromaticContact CE1-CE1 3.83Å; H387-H424 AromaticContact CE1-CG 3.81Å; H387-H424 AromaticContact CE1-ND1 3.99Å; H387-H424 AromaticContact CE1-NE2 3.58Å; H387-H424 AromaticContact ND1-CD2 3.99Å; H387-H424 AromaticContact NE2-CD2 3.58Å; H387-H424 AromaticContact NE2-CE1 3.8Å; H387-H424 AromaticContact NE2-CG 3.38Å; H387-H424 AromaticContact NE2-ND1 3.53Å; H387-H424 AromaticContact NE2-NE2 3.89Å; H424-L426 PolarHBondContact CD2-O 3.1Å; H424-L426 PolarHBondContact NE2-O 3.02Å; H424-C427 WeakPolarHBondContact NE2-CA 3.46Å; H424-C427 WeakPolarHBondContact NE2-CB 3.49Å; H424-P516 HydrophobicContact CB-CB 4.13Å; H424-P516 HydrophobicContact CB-CG 4.43Å; H424-P516 WeakPolarHBondContact O-CA 3.41Å; H424-P516 VanDerWaalsContact O-CB 3.31Å; H424-P516 WeakPolarHBondContact O-CB 3.46Å
425I87.4Confident78.1Confident29 Ų2953.1 Ų53.115%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-85.5-52.8-174-62.1179.3000110.1V386 S388 E423 M454 L466 M517V386-I425 PolarHBondContact O-N 3.3Å; S388-I425 VanDerWaalsContact CB-CD1 3.49Å; E423-I425 HydrophobicContact CB-CG1 4.42Å; E423-I425 PolarHBondContact O-N 3.41Å; I425-M454 HydrophobicContact CD1-SD 3.89Å; I425-M454 HydrophobicContact CG2-CE 3.67Å; I425-M454 HydrophobicContact CG2-SD 3.94Å; I425-L466 HydrophobicContact CG2-CD1 3.4Å; I425-M517 PolarHBondContact O-N 3.47Å
426L87.9Confident78.7Confident0 Ų049.8 Ų49.80%025%0.248CC..EExtended strand (participates in β ladder)trans-126.6123.4-174.7-17668.5000109.8G385 V386 H424 T428 C456 I464 M517 L519G385-L426 CarbonylContact C-O 3.51Å; G385-L426 WeakPolarHBondContact CA-O 3.48Å; V386-L426 HydrophobicContact CB-CB 4.02Å; V386-L426 HydrophobicContact CG2-CB 4.2Å; V386-L426 HydrophobicContact CG2-CD2 4.24Å; V386-L426 PolarHBondContact N-O 2.92Å; V386-L426 PolarHBondContact O-N 3.29Å; V386-L426 VanDerWaalsContact O-N 3.15Å; H424-L426 PolarHBondContact CD2-O 3.1Å; H424-L426 PolarHBondContact NE2-O 3.02Å; L426-T428 HydrophobicContact CD2-CG2 3.98Å; L426-T428 HydrophobicContact CG-CG2 4.04Å; L426-C456 HydrophobicContact CD2-CB 4.32Å; L426-C456 WeakPolarHBondContact CD2-SG 3.43Å; L426-I464 HydrophobicContact CD1-CD1 3.87Å; L426-I464 HydrophobicContact CD2-CD1 3.88Å; L426-M517 HydrophobicContact CD1-CB 4.31Å; L426-M517 HydrophobicContact CD1-CG 4.35Å; L426-L519 HydrophobicContact CD1-CD1 3.88Å; L426-L519 HydrophobicContact CD1-CD2 4.26Å; L426-L519 HydrophobicContact CD1-CG 3.72Å; L426-L519 HydrophobicContact CD2-CD1 4.24Å; L426-L519 HydrophobicContact CG-CD1 4.33Å
427C87.6Confident79.6Confident0 Ų046.2 Ų46.20%022%0.218CC..EExtended strand (participates in β ladder)trans-109.1114.6173.6-175.20000109.5H424 R429 P430 P516 M517 V518 L519H424-C427 WeakPolarHBondContact NE2-CA 3.46Å; H424-C427 WeakPolarHBondContact NE2-CB 3.49Å; C427-R429 VanDerWaalsContact SG-C 3.55Å; C427-P430 VanDerWaalsContact SG-CA 3.53Å; C427-P516 HydrophobicContact CB-CB 3.85Å; C427-P516 HydrophobicContact CB-CG 3.69Å; C427-M517 PolarHBondContact N-O 3.48Å; C427-V518 HydrophobicContact CB-CG2 4.38Å; C427-L519 PolarHBondContact O-N 3.5Å; C427-L519 VanDerWaalsContact O-N 3.11Å
428T85Confident80.7Confident0 Ų042.9 Ų42.90%020%0.203CC..SBendtrans-99.8-14.4178.969.10000112E383 A384 G385 L426 A437 L519E383-T428 PolarHBondContact O-OG1 2.91Å; A384-T428 WeakPolarHBondContact CA-OG1 3.36Å; A384-T428 PolarHBondContact O-N 3.38Å; A384-T428 PolarHBondContact O-OG1 3.48Å; A384-T428 VanDerWaalsContact O-OG1 3.09Å; G385-T428 PolarHBondContact N-OG1 3.22Å; L426-T428 HydrophobicContact CD2-CG2 3.98Å; L426-T428 HydrophobicContact CG-CG2 4.04Å; T428-A437 WeakPolarHBondContact CB-O 3.37Å; T428-A437 VanDerWaalsContact CG2-O 3.26Å; T428-A437 WeakPolarHBondContact CG2-O 3.29Å; T428-A437 PolarHBondContact OG1-O 2.76Å; T428-L519 HydrophobicContact CG2-CD1 4.04Å
429R83.8Confident82Confident45 Ų4539.1 Ų39.117%0.1719%0.186CC..  trans-130.182.7172.7-170.4-179.2-178.4157.1-1.8111F362 A384 C427 L431 P432 R434F362-R429 VanDerWaalsContact CD2-NH1 3.25Å; A384-R429 HydrophobicContact CB-CB 3.82Å; A384-R429 PolarHBondContact O-N 3.36Å; C427-R429 VanDerWaalsContact SG-C 3.55Å; R429-L431 VanDerWaalsContact C-N 3.33Å; R429-L431 PolarHBondContact O-N 2.96Å; R429-P432 PolarHBondContact NH2-O 3Å; R429-R434 PolarHBondContact NE-O 2.97Å
430P80.9Confident82.6Confident0 Ų030.2 Ų30.20%015%0.153CC..  trans-72.1-24.5-176.627.7-35.2000114L348 C427 V518 L536L348-P430 WeakPolarHBondContact CB-O 3.38Å; L348-P430 HydrophobicContact CD1-CB 3.8Å; L348-P430 HydrophobicContact CG-CB 4.46Å; C427-P430 VanDerWaalsContact SG-CA 3.53Å; P430-V518 HydrophobicContact CB-CG1 3.74Å; P430-V518 HydrophobicContact CG-CG1 3.77Å; P430-L536 HydrophobicContact CB-CD1 4.2Å; P430-L536 HydrophobicContact CB-CD2 4.1Å; P430-L536 HydrophobicContact CG-CD1 4.5Å
431L78.1Confident82.9Confident10 Ų1029.5 Ų29.55%0.05215%0.148CC..SBendtrans-134.7150.7-176.1-66.4168.9000110.5V350 R429 S433 R434 E532 L536V350-L431 HydrophobicContact CG2-CD2 3.98Å; R429-L431 VanDerWaalsContact C-N 3.33Å; R429-L431 PolarHBondContact O-N 2.96Å; L431-S433 VanDerWaalsContact C-N 3.26Å; L431-S433 PolarHBondContact O-N 2.94Å; L431-R434 HydrophobicContact CB-CG 4.33Å; L431-R434 PolarHBondContact O-N 2.66Å; L431-E532 HydrophobicContact CD1-CB 3.69Å; L431-E532 HydrophobicContact CD1-CG 3.72Å; L431-L536 HydrophobicContact CD1-CD1 4.21Å; L431-L536 HydrophobicContact CD2-CD2 4.31Å; L431-L536 HydrophobicContact CG-CD1 4.42Å; L431-L536 HydrophobicContact CG-CD2 4.46Å
432P75.2Confident83.3Confident56 Ų5627.6 Ų27.636%0.36414%0.138SC..THydrogen-bonded Turntrans-60.7-34.7178.1-21.131000113.2I347 R429 R434I347-P432 HydrophobicContact CD1-CG 4.45Å; I347-P432 HydrophobicContact CG2-CG 4.05Å; R429-P432 PolarHBondContact NH2-O 3Å; P432-R434 PolarHBondContact O-N 2.58Å
433S69.4Low83.5Confident86 Ų8626.3 Ų26.360%0.60113%0.129SC*.THydrogen-bonded Turntrans-66.7-12.4-179.557.30000114.1L431 E532L431-S433 VanDerWaalsContact C-N 3.26Å; L431-S433 PolarHBondContact O-N 2.94Å; S433-E532 PolarHBondContact OG-OE1 2.77Å; S433-E532 VanDerWaalsContact OG-OE1 3.06Å
434R71.3Confident83.6Confident34 Ų3426 Ų2613%0.12813%0.128CC..SBendtrans-98.6148.1-174.8-66.1-160.3-169.4165.715.9113.4R429 L431 P432R429-R434 PolarHBondContact NE-O 2.97Å; L431-R434 HydrophobicContact CB-CG 4.33Å; L431-R434 PolarHBondContact O-N 2.66Å; P432-R434 PolarHBondContact O-N 2.58Å
435R73.7Confident83.6Confident174 Ų17425.4 Ų25.466%0.65713%0.126SC*.PPolyproline II helixtrans-68.6136.2162-66.8-175.1176-158.3-2.8109.5
436S77.6Confident83.3Confident18 Ų1827.1 Ų27.113%0.12614%0.14CC..PPolyproline II helixtrans-69.6152.3172.254.70000110.5E383 P438E383-S436 VanDerWaalsContact CD-OG 3.28Å; E383-S436 VanDerWaalsContact CG-OG 3.22Å; E383-S436 WeakPolarHBondContact CG-OG 3.27Å; E383-S436 WeakPolarHBondContact OE1-CB 3.38Å; E383-S436 PolarHBondContact OE1-OG 2.79Å; S436-P438 VanDerWaalsContact C-CD 3.49Å; S436-P438 WeakPolarHBondContact O-CD 3.36Å
437A82.1Confident82.9Confident5 Ų528.4 Ų28.44%0.04115%0.147CC..  trans-111.583.5165.800000108.3T428T428-A437 WeakPolarHBondContact CB-O 3.37Å; T428-A437 VanDerWaalsContact CG2-O 3.26Å; T428-A437 WeakPolarHBondContact CG2-O 3.29Å; T428-A437 PolarHBondContact OG1-O 2.76Å
438P84.8Confident82.4Confident0 Ų037.3 Ų37.30%019%0.193CC..  trans-60.9149.8-169.912.5-21.4000113.1E36 E383 S436 R440 T458 S459E36-P438 HydrophobicContact CB-CG 3.44Å; E36-P438 VanDerWaalsContact CB-CG 3.44Å; E36-P438 WeakPolarHBondContact O-CG 3.18Å; E383-P438 HydrophobicContact CG-CB 4.1Å; E383-P438 HydrophobicContact CG-CG 4.4Å; S436-P438 VanDerWaalsContact C-CD 3.49Å; S436-P438 WeakPolarHBondContact O-CD 3.36Å; P438-R440 PolarHBondContact O-N 3.15Å; P438-T458 CarbonylContact O-C 3.42Å; P438-S459 PolarHBondContact O-N 3.03Å
439V89.8Confident82Confident0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-68.8122.6177.1-1790000109.7A38 K39 T381 V386 G441 F442A38-V439 CarbonylContact C-O 3.59Å; A38-V439 WeakPolarHBondContact CA-O 3.38Å; K39-V439 PolarHBondContact N-O 2.66Å; K39-V439 VanDerWaalsContact O-O 3.11Å; T381-V439 HydrophobicContact CG2-CG1 4.37Å; V386-V439 HydrophobicContact CG2-CG2 3.72Å; V439-G441 WeakPolarHBondContact CG1-O 3.31Å; V439-F442 HydrophobicContact CG1-CB 4.09Å
440R89.1Confident81.7Confident33 Ų3338.5 Ų38.513%0.12521%0.208CC..EExtended strand (participates in β ladder)trans-98.5-22176.1-64.4-63.9-168.6175.87113E36 T37 K39 N40 L41 P438 I457 T458E36-R440 IonicContact OE1-CZ 2.69Å; E36-R440 IonicContact OE1-NH2 3.6Å; E36-R440 PolarHBondContact OE1-NH2 2.92Å; T37-R440 PolarHBondContact O-NH1 3.25Å; K39-R440 CarbonylContact C-O 3.57Å; K39-R440 CarbonylContact O-C 3.53Å; N40-R440 CarbonylContact C-O 3.57Å; N40-R440 WeakPolarHBondContact CA-O 3.31Å; N40-R440 PolarHBondContact N-O 3.47Å; L41-R440 PolarHBondContact N-O 2.96Å; P438-R440 PolarHBondContact O-N 3.15Å; R440-I457 PolarHBondContact N-O 3.15Å; R440-T458 WeakPolarHBondContact CG-O 3.3Å
441G90.5Very high81.6Confident0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-151.6135177.700000110.6T42 V439 C456 I457T42-G441 VanDerWaalsContact OG1-CA 3.26Å; T42-G441 WeakPolarHBondContact OG1-CA 3.47Å; V439-G441 WeakPolarHBondContact CG1-O 3.31Å; G441-C456 CarbonylContact O-C 3.58Å; G441-C456 WeakPolarHBondContact O-CA 3.4Å; G441-I457 PolarHBondContact N-O 3.48Å; G441-I457 PolarHBondContact O-N 3.4Å
442F93.1Very high81.9Confident6 Ų641.7 Ų41.73%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-142.2131.2177176.1-94.6000109.7N40 T42 H369 H379 T381 V386 V439 I444 M454 I455N40-F442 PolarHBondContact OD1-N 3.41Å; N40-F442 PolarHBondContact OD1-O 3.1Å; T42-F442 PolarHBondContact OG1-N 2.76Å; H369-F442 HydrophobicContact CB-CD1 4.17Å; H369-F442 HydrophobicContact CB-CE1 3.93Å; H369-F442 AromaticContact CD2-CD1 3.78Å; H369-F442 AromaticContact CE1-CD1 3.98Å; H369-F442 AromaticContact CG-CD1 3.7Å; H369-F442 AromaticContact CG-CE1 3.95Å; H369-F442 AromaticContact ND1-CD1 3.84Å; H369-F442 AromaticContact NE2-CD1 3.95Å; H379-F442 HydrophobicContact CB-CE1 3.64Å; H379-F442 HydrophobicContact CB-CE2 4.48Å; H379-F442 HydrophobicContact CB-CZ 3.46Å; H379-F442 VanDerWaalsContact CB-CZ 3.46Å; H379-F442 AromaticContact CG-CZ 3.62Å; T381-F442 HydrophobicContact CG2-CB 3.59Å; T381-F442 HydrophobicContact CG2-CD1 3.83Å; T381-F442 HydrophobicContact CG2-CD2 3.78Å; T381-F442 HydrophobicContact CG2-CE2 4.44Å; T381-F442 HydrophobicContact CG2-CG 3.43Å; T381-F442 VanDerWaalsContact CG2-CG 3.43Å; V386-F442 HydrophobicContact CG1-CD2 4.1Å; V386-F442 HydrophobicContact CG1-CE2 3.63Å; V386-F442 HydrophobicContact CG1-CZ 4.36Å; V386-F442 HydrophobicContact CG2-CD2 4.36Å; V439-F442 HydrophobicContact CG1-CB 4.09Å; F442-I444 HydrophobicContact CE1-CG1 4.45Å; F442-I444 HydrophobicContact CZ-CD1 4.42Å; F442-I444 HydrophobicContact CZ-CG1 4.29Å; F442-M454 HydrophobicContact CD2-CG 4.37Å; F442-M454 HydrophobicContact CE2-CG 3.54Å; F442-M454 HydrophobicContact CE2-SD 3.67Å; F442-M454 HydrophobicContact CZ-CG 4.12Å; F442-M454 HydrophobicContact CZ-SD 4.42Å; F442-I455 WeakPolarHBondContact CA-O 3.01Å
443L91.8Very high82.5Confident16 Ų1639.3 Ų39.38%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-157.7161.6174.965.189.9000111.8C44 F49 V445 I455C44-L443 HydrophobicContact CB-CD1 4.14Å; C44-L443 HydrophobicContact CB-CD2 4.48Å; C44-L443 WeakPolarHBondContact SG-CD1 3.3Å; F49-L443 HydrophobicContact CD2-CD2 4.04Å; F49-L443 HydrophobicContact CE2-CD2 3.95Å; L443-V445 HydrophobicContact CD1-CG2 3.36Å; L443-I455 HydrophobicContact CD1-CB 3.95Å; L443-I455 HydrophobicContact CD1-CD1 4.03Å; L443-I455 HydrophobicContact CD1-CG1 4.12Å; L443-I455 HydrophobicContact CG-CB 4.08Å; L443-I455 PolarHBondContact N-O 3.2Å; L443-I455 PolarHBondContact O-N 3.38Å
444I90.1Very high83.4Confident21 Ų2135.2 Ų35.211%0.10820%0.195CC..EExtended strand (participates in β ladder)trans-114.7121.7174.5-65.7167000107.8D371 P372 L373 H379 F442 L468D371-I444 HydrophobicContact CB-CD1 4.28Å; P372-I444 HydrophobicContact CG-CB 4.31Å; P372-I444 HydrophobicContact CG-CG2 4.2Å; L373-I444 HydrophobicContact CD1-CG2 3.9Å; L373-I444 HydrophobicContact CG-CG2 4.44Å; H379-I444 WeakPolarHBondContact CD2-CD1 3.48Å; H379-I444 WeakPolarHBondContact NE2-CD1 3.24Å; F442-I444 HydrophobicContact CE1-CG1 4.45Å; F442-I444 HydrophobicContact CZ-CD1 4.42Å; F442-I444 HydrophobicContact CZ-CG1 4.29Å; I444-L468 HydrophobicContact CB-CD1 4.42Å; I444-L468 HydrophobicContact CD1-CD1 4.37Å; I444-L468 HydrophobicContact CG1-CD1 4.15Å; I444-L468 HydrophobicContact CG2-CD1 3.52Å
445V87.7Confident84.4Confident1 Ų133.7 Ų33.71%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-90.5125.6173.1-176.60000108.7L64 L443 D447 L450 A452 T453 I455L64-V445 HydrophobicContact CD1-CG1 4.38Å; L64-V445 HydrophobicContact CD1-CG2 4.14Å; L443-V445 HydrophobicContact CD1-CG2 3.36Å; V445-D447 HydrophobicContact CG1-CB 4.48Å; V445-L450 HydrophobicContact CG1-CD1 4.15Å; V445-A452 WeakPolarHBondContact O-CA 3.49Å; V445-T453 PolarHBondContact N-O 3.1Å; V445-T453 PolarHBondContact O-N 3.19Å; V445-I455 HydrophobicContact CG2-CD1 3.56Å; V445-I455 HydrophobicContact CG2-CG1 4.1Å
446S80.3Confident85.3Confident64 Ų6425.4 Ų25.445%0.44816%0.158SC..EExtended strand (participates in β ladder)trans-125.884.4176.149.70000109.8
447D79.6Confident85.9Confident28 Ų2824.6 Ų24.615%0.1515%0.152CC..EExtended strand (participates in β ladder)trans-126.6138.1176.1-177-77.3000109.9R65 V445 S449 L450 G451R65-D447 IonicContact CZ-OD2 3.2Å; R65-D447 IonicContact NH1-OD2 3.17Å; R65-D447 PolarHBondContact NH1-OD2 2.67Å; V445-D447 HydrophobicContact CG1-CB 4.48Å; D447-S449 PolarHBondContact O-N 2.84Å; D447-S449 VanDerWaalsContact O-N 3.13Å; D447-S449 WeakPolarHBondContact OD1-CA 3.39Å; D447-S449 WeakPolarHBondContact OD1-CB 3.37Å; D447-S449 PolarHBondContact OD1-N 2.72Å; D447-S449 PolarHBondContact OD1-OG 3.39Å; D447-L450 HydrophobicContact CB-CB 4.09Å; D447-L450 HydrophobicContact CB-CD1 4.07Å; D447-L450 HydrophobicContact CB-CG 4.15Å; D447-L450 PolarHBondContact O-N 3Å; D447-L450 VanDerWaalsContact O-N 3.13Å; D447-L450 PolarHBondContact OD1-N 3.2Å; D447-G451 WeakPolarHBondContact O-CA 3.38Å; D447-G451 PolarHBondContact O-N 3.5Å
448L76.6Confident86.2Confident186 Ų18624.3 Ų24.397%0.97415%0.15SC*.THydrogen-bonded Turntrans-59.1-28.5-176.7-16472.2000112.5
449S77Confident86.3Confident61 Ų6125 Ų2543%0.42716%0.155SC..THydrogen-bonded Turntrans-91.2-21.5179.570.40000114.4R65 D447R65-S449 WeakPolarHBondContact CG-OG 3.32Å; D447-S449 PolarHBondContact O-N 2.84Å; D447-S449 VanDerWaalsContact O-N 3.13Å; D447-S449 WeakPolarHBondContact OD1-CA 3.39Å; D447-S449 WeakPolarHBondContact OD1-CB 3.37Å; D447-S449 PolarHBondContact OD1-N 2.72Å; D447-S449 PolarHBondContact OD1-OG 3.39Å
450L77.1Confident86Confident9 Ų926.9 Ų26.95%0.04717%0.168CC..THydrogen-bonded Turntrans-104.7-14.6-177.8-57173.4000113W9 L64 R65 N68 V445 D447W9-L450 HydrophobicContact CD2-CD2 4.03Å; W9-L450 HydrophobicContact CG-CD2 4.09Å; W9-L450 HydrophobicContact CH2-CB 4.4Å; W9-L450 HydrophobicContact CZ2-CB 3.93Å; W9-L450 WeakPolarHBondContact CZ2-O 3.35Å; L64-L450 HydrophobicContact CB-CD1 3.51Å; L64-L450 HydrophobicContact CD1-CD1 4.23Å; R65-L450 HydrophobicContact CG-CD1 4.11Å; R65-L450 HydrophobicContact CG-CD2 4.4Å; R65-L450 HydrophobicContact CG-CG 4.22Å; N68-L450 HydrophobicContact CB-CD2 4.09Å; V445-L450 HydrophobicContact CG1-CD1 4.15Å; D447-L450 HydrophobicContact CB-CB 4.09Å; D447-L450 HydrophobicContact CB-CD1 4.07Å; D447-L450 HydrophobicContact CB-CG 4.15Å; D447-L450 PolarHBondContact O-N 3Å; D447-L450 VanDerWaalsContact O-N 3.13Å; D447-L450 PolarHBondContact OD1-N 3.2Å
451G79.3Confident85.9Confident37 Ų3726.2 Ų26.238%0.38117%0.166SC..EExtended strand (participates in β ladder)trans74.4-171.6-172.400000113D447D447-G451 WeakPolarHBondContact O-CA 3.38Å; D447-G451 PolarHBondContact O-N 3.5Å
452A84.2Confident85.8Confident41 Ų4130.3 Ų30.334%0.33919%0.185SC..EExtended strand (participates in β ladder)trans-92.6108.4177.900000110.3L373 V445 L468L373-A452 HydrophobicContact CD1-CB 3.36Å; V445-A452 WeakPolarHBondContact O-CA 3.49Å; A452-L468 HydrophobicContact CB-CB 4.32Å; A452-L468 PolarHBondContact O-N 3.09Å
453T87.1Confident85.6Confident5 Ų530.4 Ų30.43%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-135132.5-175.5-57.40000111W9 L10 V445 M465W9-T453 HydrophobicContact CH2-CG2 3.84Å; W9-T453 HydrophobicContact CZ2-CG2 4.17Å; W9-T453 WeakPolarHBondContact CZ2-OG1 3.42Å; L10-T453 HydrophobicContact CD2-CG2 3.85Å; V445-T453 PolarHBondContact N-O 3.1Å; V445-T453 PolarHBondContact O-N 3.19Å; T453-M465 HydrophobicContact CG2-CB 4.34Å; T453-M465 HydrophobicContact CG2-CE 4.24Å
454M89.7Confident85.5Confident1 Ų130 Ų301%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-82.8131.2171.1-171.9-166.283.300109.4V386 I425 F442 C456 M465 L466 L468V386-M454 HydrophobicContact CG1-SD 4.36Å; I425-M454 HydrophobicContact CD1-SD 3.89Å; I425-M454 HydrophobicContact CG2-CE 3.67Å; I425-M454 HydrophobicContact CG2-SD 3.94Å; F442-M454 HydrophobicContact CD2-CG 4.37Å; F442-M454 HydrophobicContact CE2-CG 3.54Å; F442-M454 HydrophobicContact CE2-SD 3.67Å; F442-M454 HydrophobicContact CZ-CG 4.12Å; F442-M454 HydrophobicContact CZ-SD 4.42Å; M454-C456 HydrophobicContact CE-CB 4.17Å; M454-M465 WeakPolarHBondContact O-CA 3.46Å; M454-L466 WeakPolarHBondContact CB-O 3.46Å; M454-L466 HydrophobicContact CE-CB 4.19Å; M454-L466 HydrophobicContact CE-CD1 3.81Å; M454-L466 HydrophobicContact CE-CG 4.29Å; M454-L466 PolarHBondContact N-O 2.61Å; M454-L466 PolarHBondContact O-N 2.84Å; M454-L468 HydrophobicContact CB-CD2 3.99Å; M454-L468 HydrophobicContact CB-CG 4.12Å
455I91.5Very high85.3Confident1 Ų130.2 Ų30.21%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-116.4125.6172.9-56.1-175.6000108W9 L13 F49 L64 F442 L443 V445 M465W9-I455 HydrophobicContact CZ3-CD1 4.23Å; L13-I455 HydrophobicContact CD2-CD1 3.76Å; F49-I455 HydrophobicContact CE2-CG2 4.42Å; L64-I455 HydrophobicContact CD1-CD1 4.42Å; F442-I455 WeakPolarHBondContact CA-O 3.01Å; L443-I455 HydrophobicContact CD1-CB 3.95Å; L443-I455 HydrophobicContact CD1-CD1 4.03Å; L443-I455 HydrophobicContact CD1-CG1 4.12Å; L443-I455 HydrophobicContact CG-CB 4.08Å; L443-I455 PolarHBondContact N-O 3.2Å; L443-I455 PolarHBondContact O-N 3.38Å; V445-I455 HydrophobicContact CG2-CD1 3.56Å; V445-I455 HydrophobicContact CG2-CG1 4.1Å; I455-M465 HydrophobicContact CD1-CE 4.14Å; I455-M465 HydrophobicContact CG1-CE 4.28Å; I455-M465 HydrophobicContact CG1-CG 4.37Å
456C92Very high85.2Confident0 Ų032.4 Ų32.40%020%0.197CC..EExtended strand (participates in β ladder)trans-128.3135.9177.6-177.40000109.9L426 G441 M454 I464L426-C456 HydrophobicContact CD2-CB 4.32Å; L426-C456 WeakPolarHBondContact CD2-SG 3.43Å; G441-C456 CarbonylContact O-C 3.58Å; G441-C456 WeakPolarHBondContact O-CA 3.4Å; M454-C456 HydrophobicContact CE-CB 4.17Å; C456-I464 HydrophobicContact CB-CB 4.5Å; C456-I464 PolarHBondContact N-O 2.47Å; C456-I464 PolarHBondContact O-N 2.97Å
457I91.4Very high85.2Confident1 Ų132.3 Ų32.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-123.2128.5178.9-63.4156.3000108.8F19 T42 F49 L51 R440 G441 Y461 E462 C463F19-I457 HydrophobicContact CE1-CD1 3.85Å; F19-I457 HydrophobicContact CE1-CG1 4.01Å; F19-I457 HydrophobicContact CE1-CG2 4.41Å; F19-I457 HydrophobicContact CZ-CD1 4.13Å; F19-I457 HydrophobicContact CZ-CG1 4.4Å; T42-I457 HydrophobicContact CG2-CD1 3.42Å; T42-I457 VanDerWaalsContact CG2-CD1 3.42Å; F49-I457 HydrophobicContact CE2-CD1 4.15Å; F49-I457 HydrophobicContact CZ-CD1 3.69Å; L51-I457 HydrophobicContact CD1-CD1 4.28Å; R440-I457 PolarHBondContact N-O 3.15Å; G441-I457 PolarHBondContact N-O 3.48Å; G441-I457 PolarHBondContact O-N 3.4Å; I457-Y461 HydrophobicContact CG2-CD1 4.18Å; I457-E462 WeakPolarHBondContact CA-O 3.49Å; I457-C463 HydrophobicContact CG1-CB 4.26Å
458T88.5Confident84.7Confident0 Ų032.3 Ų32.30%019%0.194CC..EExtended strand (participates in β ladder)trans-87.2176-177.262.40000112.1P438 R440 S460 Y461 E462 I464 L519P438-T458 CarbonylContact O-C 3.42Å; R440-T458 WeakPolarHBondContact CG-O 3.3Å; T458-S460 PolarHBondContact O-N 3.11Å; T458-S460 PolarHBondContact OG1-N 3.42Å; T458-S460 PolarHBondContact OG1-OG 2.92Å; T458-Y461 PolarHBondContact O-N 3.43Å; T458-E462 HydrophobicContact CG2-CB 4.47Å; T458-E462 PolarHBondContact N-O 2.85Å; T458-E462 VanDerWaalsContact N-O 3.17Å; T458-E462 WeakPolarHBondContact OG1-CB 3.37Å; T458-E462 PolarHBondContact OG1-N 3.12Å; T458-E462 VanDerWaalsContact OG1-N 3.13Å; T458-E462 PolarHBondContact OG1-O 2.93Å; T458-I464 HydrophobicContact CG2-CD1 3.73Å; T458-L519 HydrophobicContact CG2-CD1 3.42Å; T458-L519 VanDerWaalsContact CG2-CD1 3.42Å
459S85.8Confident83.8Confident13 Ų1329.9 Ų29.99%0.09118%0.182CC..THydrogen-bonded Turntrans-58.4-33172.354.50000113.5E36 P438 Y461E36-S459 VanDerWaalsContact OE2-CB 3.22Å; E36-S459 WeakPolarHBondContact OE2-CB 3.27Å; E36-S459 PolarHBondContact OE2-OG 3.13Å; P438-S459 PolarHBondContact O-N 3.03Å; S459-Y461 WeakPolarHBondContact O-CD2 3.49Å; S459-Y461 PolarHBondContact O-N 3.25Å
460S83.1Confident82.6Confident41 Ų4127.8 Ų27.829%0.28717%0.167SC..THydrogen-bonded Turntrans-797174.461.10000114.6R23 T458 E462R23-S460 WeakPolarHBondContact CD-O 3.24Å; R23-S460 WeakPolarHBondContact CG-O 3.34Å; T458-S460 PolarHBondContact O-N 3.11Å; T458-S460 PolarHBondContact OG1-N 3.42Å; T458-S460 PolarHBondContact OG1-OG 2.92Å; S460-E462 PolarHBondContact O-N 3.35Å
461Y86.8Confident81.5Confident18 Ų1830.5 Ų30.57%0.07119%0.187CC..  trans55.132.5-173.6-69.5-96.7000113.3F19 I22 L26 L51 I457 T458 S459F19-Y461 WeakPolarHBondContact CD1-O 3.29Å; I22-Y461 HydrophobicContact CB-CD1 4.39Å; I22-Y461 HydrophobicContact CB-CG 4.49Å; I22-Y461 HydrophobicContact CD1-CD1 4.08Å; I22-Y461 HydrophobicContact CD1-CE1 4.03Å; I22-Y461 HydrophobicContact CG2-CD1 3.71Å; I22-Y461 HydrophobicContact CG2-CD2 3.7Å; I22-Y461 HydrophobicContact CG2-CE1 3.7Å; I22-Y461 HydrophobicContact CG2-CE2 3.68Å; I22-Y461 HydrophobicContact CG2-CG 3.7Å; L26-Y461 HydrophobicContact CD1-CD2 3.8Å; L26-Y461 HydrophobicContact CD1-CE2 4.37Å; L26-Y461 HydrophobicContact CD2-CD2 4.23Å; L26-Y461 HydrophobicContact CD2-CE2 3.95Å; L26-Y461 HydrophobicContact CG-CD2 4.49Å; L51-Y461 HydrophobicContact CD1-CE1 4.27Å; L51-Y461 HydrophobicContact CD2-CD1 4.31Å; L51-Y461 HydrophobicContact CD2-CE1 4.47Å; I457-Y461 HydrophobicContact CG2-CD1 4.18Å; T458-Y461 PolarHBondContact O-N 3.43Å; S459-Y461 WeakPolarHBondContact O-CD2 3.49Å; S459-Y461 PolarHBondContact O-N 3.25Å
462E88.1Confident80.6Confident86 Ų8629.3 Ų29.340%0.40217%0.172SC..  trans-77.8122.4165.8-172.2175.8-171.600108.7I457 T458 S460 I464I457-E462 WeakPolarHBondContact CA-O 3.49Å; T458-E462 HydrophobicContact CG2-CB 4.47Å; T458-E462 PolarHBondContact N-O 2.85Å; T458-E462 VanDerWaalsContact N-O 3.17Å; T458-E462 WeakPolarHBondContact OG1-CB 3.37Å; T458-E462 PolarHBondContact OG1-N 3.12Å; T458-E462 VanDerWaalsContact OG1-N 3.13Å; T458-E462 PolarHBondContact OG1-O 2.93Å; S460-E462 PolarHBondContact O-N 3.35Å; E462-I464 HydrophobicContact CG-CG1 4.45Å
463C89.6Confident79.3Confident9 Ų935.6 Ų35.66%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-95.3116.8179.9172.50000109.8P14 F19 I457P14-C463 HydrophobicContact CB-CB 4.43Å; P14-C463 WeakPolarHBondContact CB-O 3.48Å; F19-C463 HydrophobicContact CD1-CB 4.25Å; F19-C463 HydrophobicContact CD2-CB 4.22Å; F19-C463 HydrophobicContact CE1-CB 3.78Å; F19-C463 HydrophobicContact CE2-CB 3.75Å; F19-C463 HydrophobicContact CG-CB 4.47Å; F19-C463 HydrophobicContact CZ-CB 3.51Å; I457-C463 HydrophobicContact CG1-CB 4.26Å
464I89.4Confident77.6Confident8 Ų839.2 Ų39.24%0.04121%0.21CC..EExtended strand (participates in β ladder)trans-109.4127.9-177.8-59.6150.9000107.7L426 C456 T458 E462 L466 M517 L519L426-I464 HydrophobicContact CD1-CD1 3.87Å; L426-I464 HydrophobicContact CD2-CD1 3.88Å; C456-I464 HydrophobicContact CB-CB 4.5Å; C456-I464 PolarHBondContact N-O 2.47Å; C456-I464 PolarHBondContact O-N 2.97Å; T458-I464 HydrophobicContact CG2-CD1 3.73Å; E462-I464 HydrophobicContact CG-CG1 4.45Å; I464-L466 HydrophobicContact CG2-CD1 4.4Å; I464-L466 HydrophobicContact CG2-CG 4.2Å; I464-M517 HydrophobicContact CG1-CE 4.39Å; I464-M517 HydrophobicContact CG2-CE 3.99Å; I464-M517 HydrophobicContact CG2-SD 3.88Å; I464-L519 HydrophobicContact CD1-CD1 3.56Å; I464-L519 HydrophobicContact CD1-CD2 3.59Å; I464-L519 HydrophobicContact CD1-CG 4.04Å; I464-L519 HydrophobicContact CG1-CD2 4.22Å
465M87.1Confident75.9Confident24 Ų2443.7 Ų43.712%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-123121.7-178.1-62.6179.87500109.2W9 L10 L13 P14 T453 M454 I455W9-M465 HydrophobicContact CD2-CE 4.1Å; W9-M465 HydrophobicContact CE3-CE 3.34Å; W9-M465 HydrophobicContact CH2-CE 3.42Å; W9-M465 VanDerWaalsContact CH2-CE 3.42Å; W9-M465 HydrophobicContact CZ2-CE 4.15Å; W9-M465 HydrophobicContact CZ3-CE 2.97Å; L10-M465 HydrophobicContact CD2-CB 4.27Å; L10-M465 HydrophobicContact CD2-CE 3.67Å; L13-M465 HydrophobicContact CB-CE 4.36Å; L13-M465 HydrophobicContact CB-SD 3.74Å; L13-M465 HydrophobicContact CD2-CE 3.84Å; L13-M465 HydrophobicContact CD2-SD 3.75Å; L13-M465 HydrophobicContact CG-SD 4.17Å; P14-M465 HydrophobicContact CG-CG 4.2Å; P14-M465 HydrophobicContact CG-SD 3.78Å; T453-M465 HydrophobicContact CG2-CB 4.34Å; T453-M465 HydrophobicContact CG2-CE 4.24Å; M454-M465 WeakPolarHBondContact O-CA 3.46Å; I455-M465 HydrophobicContact CD1-CE 4.14Å; I455-M465 HydrophobicContact CG1-CE 4.28Å; I455-M465 HydrophobicContact CG1-CG 4.37Å
466L84.4Confident73.9Confident47 Ų4748 Ų4825%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-126.9120.7179.1-65.1174.5000108.5I425 M454 I464 L468 M517I425-L466 HydrophobicContact CG2-CD1 3.4Å; M454-L466 WeakPolarHBondContact CB-O 3.46Å; M454-L466 HydrophobicContact CE-CB 4.19Å; M454-L466 HydrophobicContact CE-CD1 3.81Å; M454-L466 HydrophobicContact CE-CG 4.29Å; M454-L466 PolarHBondContact N-O 2.61Å; M454-L466 PolarHBondContact O-N 2.84Å; I464-L466 HydrophobicContact CG2-CD1 4.4Å; I464-L466 HydrophobicContact CG2-CG 4.2Å; L466-L468 PolarHBondContact O-N 2.98Å; L466-M517 HydrophobicContact CD2-SD 4.31Å
467P80Confident72.1Confident63 Ų6353.3 Ų53.341%0.40930%0.304SS..EExtended strand (participates in β ladder)trans-55.2132.9168.3-20.631.5000108.2L469P467-L469 HydrophobicContact CB-CG 4.32Å; P467-L469 PolarHBondContact O-N 3.49Å
468L69.9Low70.4Confident27 Ų2758.1 Ų58.114%0.14134%0.336CS..  trans-73.276.7175.9-75.2167.5000108.5L373 I444 A452 M454 L466 S470L373-L468 HydrophobicContact CD1-CD1 4.31Å; I444-L468 HydrophobicContact CB-CD1 4.42Å; I444-L468 HydrophobicContact CD1-CD1 4.37Å; I444-L468 HydrophobicContact CG1-CD1 4.15Å; I444-L468 HydrophobicContact CG2-CD1 3.52Å; A452-L468 HydrophobicContact CB-CB 4.32Å; A452-L468 PolarHBondContact O-N 3.09Å; M454-L468 HydrophobicContact CB-CD2 3.99Å; M454-L468 HydrophobicContact CB-CG 4.12Å; L466-L468 PolarHBondContact O-N 2.98Å; L468-S470 PolarHBondContact O-N 3.17Å
469L57.3Low68.8Low136 Ų13664.1 Ų64.171%0.71237%0.367SS*.  trans-73.173.3171-64.4177.3000107.9P467 S471P467-L469 HydrophobicContact CB-CG 4.32Å; P467-L469 PolarHBondContact O-N 3.49Å; L469-S471 PolarHBondContact O-N 2.95Å
470S53.4Low67.2Low16 Ų1672.4 Ų72.411%0.11241%0.409CS..  trans-65.1127.1-172.2-159.20000111.3R377 L468 I472R377-S470 PolarHBondContact NH1-OG 3.31Å; L468-S470 PolarHBondContact O-N 3.17Å; S470-I472 VanDerWaalsContact CB-O 3.27Å; S470-I472 WeakPolarHBondContact CB-O 3.41Å; S470-I472 PolarHBondContact O-N 3.39Å; S470-I472 WeakPolarHBondContact OG-CA 3.5Å; S470-I472 PolarHBondContact OG-N 3.44Å; S470-I472 PolarHBondContact OG-O 2.86Å
471S53.5Low65.6Low67 Ų6775.5 Ų75.547%0.46943%0.429SS..SBendtrans-64-18.9157.2-59.70000111.5E423 L469E423-S471 WeakPolarHBondContact OE1-CB 3.48Å; E423-S471 PolarHBondContact OE1-OG 2.93Å; L469-S471 PolarHBondContact O-N 2.95Å
472I59.4Low63.9Low12 Ų1277.6 Ų77.66%0.06245%0.447CS..SBendtrans-115.484.8-177.8-51.2171.5000108.2I392 I421 S470I392-I472 HydrophobicContact CG2-CD1 4.41Å; I392-I472 HydrophobicContact CG2-CG1 4.21Å; I392-I472 HydrophobicContact CG2-CG2 4.3Å; I421-I472 HydrophobicContact CB-CD1 4.05Å; I421-I472 HydrophobicContact CB-CG1 4.49Å; I421-I472 HydrophobicContact CD1-CD1 4.49Å; I421-I472 HydrophobicContact CD1-CG1 4.11Å; S470-I472 VanDerWaalsContact CB-O 3.27Å; S470-I472 WeakPolarHBondContact CB-O 3.41Å; S470-I472 PolarHBondContact O-N 3.39Å; S470-I472 WeakPolarHBondContact OG-CA 3.5Å; S470-I472 PolarHBondContact OG-N 3.44Å; S470-I472 PolarHBondContact OG-O 2.86Å
473R56.7Low61.8Low172 Ų17280 Ų8065%0.64946%0.462SS*.PPolyproline II helixtrans-89.5142.6174.3-65.2-174.9-175.8-173.7-1.4109.1
474P52.3Low59.7Low81 Ų8183.5 Ų83.553%0.52649%0.485SS..PPolyproline II helixtrans-52.6145.9161.324.2-31.5000108.5S476P474-S476 PolarHBondContact O-N 2.82Å; P474-S476 VanDerWaalsContact O-N 3.16Å
475P54.1Low57.4Low96 Ų9685.2 Ų85.262%0.62351%0.505SS*.PPolyproline II helixtrans-51.4128179.820.2-30.6000108.9
476S49.8Very low55.3Low92 Ų9291 Ų9164%0.64354%0.544SS*.PPolyproline II helixtrans-60.9139.6178.6-60.90000108.4P474P474-S476 PolarHBondContact O-N 2.82Å; P474-S476 VanDerWaalsContact O-N 3.16Å
477P53.3Low53.5Low110 Ų11092.6 Ų92.671%0.71457%0.572SS**PPolyproline II helixtrans-54.3137.717621.3-30.9000108.9L479P477-L479 PolarHBondContact O-N 3.03Å
478P55.8Low51.8Low103 Ų10393.1 Ų93.167%0.66958%0.578SS**PPolyproline II helixtrans-55.3133-178.821.8-31.5000109
479L55.5Low50.5Low125 Ų12596.8 Ų96.865%0.65461%0.611SS**PPolyproline II helixtrans-60.1148.2175.5-59.9174.8000108.6P477 C481 S482P477-L479 PolarHBondContact O-N 3.03Å; L479-C481 PolarHBondContact O-N 3.46Å; L479-S482 WeakPolarHBondContact CA-OG 3.36Å; L479-S482 WeakPolarHBondContact CB-OG 3.37Å; L479-S482 PolarHBondContact N-OG 2.77Å; L479-S482 VanDerWaalsContact O-CB 3.27Å; L479-S482 WeakPolarHBondContact O-CB 3.42Å; L479-S482 PolarHBondContact O-N 3.39Å; L479-S482 PolarHBondContact O-OG 2.82Å
480L52.3Low50Low187 Ų18793.6 Ų93.698%0.97960%0.6SS**THydrogen-bonded Turntrans-57-13.7178.5-70.9162.5000113.9
481C49.5Very low49.8Very low106 Ų10695.8 Ų95.872%0.71662%0.616SS**THydrogen-bonded Turntrans-97.53.117632.30000114.4L479L479-C481 PolarHBondContact O-N 3.46Å
482S50.6Low49.7Very low63 Ų6398.2 Ų98.244%0.44163%0.63SS.*SBendtrans-87.6-20.8179.8-31.80000112.7L479 P484L479-S482 WeakPolarHBondContact CA-OG 3.36Å; L479-S482 WeakPolarHBondContact CB-OG 3.37Å; L479-S482 PolarHBondContact N-OG 2.77Å; L479-S482 VanDerWaalsContact O-CB 3.27Å; L479-S482 WeakPolarHBondContact O-CB 3.42Å; L479-S482 PolarHBondContact O-N 3.39Å; L479-S482 PolarHBondContact O-OG 2.82Å; S482-P484 WeakPolarHBondContact O-CD 3.42Å
483D43.5Very low49.3Very low135 Ų135103.7 Ų103.772%0.72266%0.659SS**SBendtrans-85.9111173.9-87.9-30.1000110.4G485D483-G485 PolarHBondContact O-N 2.93Å; D483-G485 VanDerWaalsContact O-N 3.14Å
484P45.1Very low49.1Very low83 Ų83103.9 Ų103.954%0.53966%0.66SS.*  trans-66.7112.2159.428.3-28.4000106.9S482S482-P484 WeakPolarHBondContact O-CD 3.42Å
485G42.3Very low48.9Very low44 Ų44103.2 Ų103.245%0.45467%0.667SS.*  trans-50.2144.8168.600000110.2D483 G487 S488D483-G485 PolarHBondContact O-N 2.93Å; D483-G485 VanDerWaalsContact O-N 3.14Å; G485-G487 PolarHBondContact O-N 2.97Å; G485-S488 PolarHBondContact O-N 3.28Å; G485-S488 VanDerWaalsContact O-N 3.1Å
486P41.7Very low48.7Very low145 Ų145105.4 Ų105.494%0.94267%0.673SS**THydrogen-bonded Turntrans-59.3105-176.723.9-32000108.8
487G47.8Very low48.7Very low82 Ų82102.6 Ų102.685%0.84566%0.655SS**THydrogen-bonded Turntrans126.6-5.7-177.800000116.4G485 A489G485-G487 PolarHBondContact O-N 2.97Å; G487-A489 PolarHBondContact O-N 3.47Å
488S44.1Very low48.7Very low74 Ų74101.1 Ų101.152%0.51765%0.648SS.*  trans-76105.1167.3-173.40000108.9G485 S490G485-S488 PolarHBondContact O-N 3.28Å; G485-S488 VanDerWaalsContact O-N 3.1Å; S488-S490 PolarHBondContact O-N 3.26Å
489A43.6Very low48.6Very low103 Ų103101 Ų10185%0.85164%0.642SS**  trans-59.686.9167.600000108.9G487 S491G487-A489 PolarHBondContact O-N 3.47Å; A489-S491 PolarHBondContact O-N 3.41Å
490S46.3Very low49.3Very low69 Ų6998.1 Ų98.148%0.48363%0.632SS.*  trans-65.4129.7175.456.30000108.1S488S488-S490 PolarHBondContact O-N 3.26Å
491S48.5Very low50.7Low63 Ų6392.1 Ų92.144%0.44160%0.598SS.*  trans-48.4131.9169.7171.80000109.6A489 L493 R494A489-S491 PolarHBondContact O-N 3.41Å; S491-L493 PolarHBondContact O-N 3.19Å; S491-L493 PolarHBondContact OG-N 3.42Å; S491-R494 WeakPolarHBondContact O-CB 3.47Å; S491-R494 PolarHBondContact O-N 2.56Å
492P51.7Low52.1Low117 Ų11792 Ų9276%0.7659%0.587SS**THydrogen-bonded Turntrans-57.6-18.817818.7-29.3000113.1R494P492-R494 VanDerWaalsContact C-N 3.34Å
493L51.8Low53.3Low128 Ų12893.8 Ų93.867%0.6759%0.589SS**THydrogen-bonded Turntrans-75.8-18.4174-64.7172.3000113.9S491S491-L493 PolarHBondContact O-N 3.19Å; S491-L493 PolarHBondContact OG-N 3.42Å
494R51.6Low55.1Low175 Ų17591.4 Ų91.466%0.6657%0.573SS**THydrogen-bonded Turntrans-78.9-31.1-178.5-151.2179.8-167.5-159.40.3112S491 P492 L496 A497S491-R494 WeakPolarHBondContact O-CB 3.47Å; S491-R494 PolarHBondContact O-N 2.56Å; P492-R494 VanDerWaalsContact C-N 3.34Å; R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 3.32Å; R494-A497 PolarHBondContact O-N 3Å
495G48.9Very low57.1Low67 Ų6788.4 Ų88.469%0.69155%0.552SS**THydrogen-bonded Turntrans-69.8-23.7177.400000114.3
496L49.5Very low58.8Low142 Ų14292.5 Ų92.574%0.74355%0.554SS**THydrogen-bonded Turntrans-85-8.8179.6-71166.7000114R494 S500R494-L496 VanDerWaalsContact C-N 3.31Å; R494-L496 PolarHBondContact O-N 3.32Å; L496-S500 PolarHBondContact O-OG 3.43Å
497A50.5Low60.7Low33 Ų3388.7 Ų88.727%0.27353%0.528SS..THydrogen-bonded Turntrans-128.1-14.1-15900000116.7R494R494-A497 PolarHBondContact O-N 3Å
498S51.5Low62.5Low80 Ų8086 Ų8656%0.55949%0.494SS*.Hα-helixtrans-70.9-41.9-173.560.60000112.7
499D54.7Low64.4Low100 Ų10086 Ų8654%0.53549%0.487SS..Hα-helixtrans-97.6-26.7-169.1-65.912.8000111.9Q503D499-Q503 WeakPolarHBondContact O-CB 3.4Å; D499-Q503 WeakPolarHBondContact O-CG 3.45Å; D499-Q503 PolarHBondContact O-N 3.38Å; D499-Q503 VanDerWaalsContact O-N 3.15Å
500S70.4Confident66Low65 Ų6583.2 Ų83.246%0.45547%0.465SS..Hα-helixtrans-68.5-41.2-174.358.70000113.6L496 H504L496-S500 PolarHBondContact O-OG 3.43Å; S500-H504 VanDerWaalsContact O-CB 3.27Å; S500-H504 WeakPolarHBondContact O-CB 3.18Å; S500-H504 PolarHBondContact O-N 3.43Å
501F81Confident67.4Low60 Ų6084.3 Ų84.326%0.26346%0.458SS..Hα-helixtrans-73.5-39.9-177.9-173.9-105.6000112.3H504 I505 M559 R562F501-H504 WeakPolarHBondContact O-CB 3.27Å; F501-H504 PolarHBondContact O-N 3.42Å; F501-I505 HydrophobicContact CD1-CG1 4.22Å; F501-I505 HydrophobicContact CE1-CD1 4.21Å; F501-I505 HydrophobicContact CE1-CG1 3.75Å; F501-I505 HydrophobicContact CE2-CD1 4.2Å; F501-I505 HydrophobicContact CE2-CG1 4.28Å; F501-I505 HydrophobicContact CZ-CD1 3.75Å; F501-I505 HydrophobicContact CZ-CG1 3.78Å; F501-I505 WeakPolarHBondContact O-CG1 3.41Å; F501-I505 PolarHBondContact O-N 3.03Å; F501-M559 HydrophobicContact CE1-CG 4.21Å; F501-M559 HydrophobicContact CZ-CG 4.11Å; F501-R562 HydrophobicContact CD2-CG 4.34Å; F501-R562 HydrophobicContact CE1-CB 4.38Å; F501-R562 HydrophobicContact CE1-CG 4.22Å; F501-R562 HydrophobicContact CE2-CB 3.87Å; F501-R562 HydrophobicContact CE2-CG 4.04Å; F501-R562 HydrophobicContact CZ-CB 3.72Å; F501-R562 HydrophobicContact CZ-CG 3.97Å
502E79.6Confident68.4Low103 Ų10386.1 Ų86.148%0.48147%0.471SS..Hα-helixtrans-65.2-43.3177.3-164.1-168-165.800111H504 I505 R506E502-H504 VanDerWaalsContact C-N 3.32Å; E502-H504 PolarHBondContact O-N 2.79Å; E502-I505 PolarHBondContact O-N 2.89Å; E502-R506 WeakPolarHBondContact O-CG 3.34Å; E502-R506 PolarHBondContact O-N 2.88Å; E502-R506 IonicContact OE1-CZ 2.75Å; E502-R506 VanDerWaalsContact OE1-CZ 3.29Å; E502-R506 IonicContact OE1-NH1 3.72Å; E502-R506 IonicContact OE1-NH2 3.66Å; E502-R506 PolarHBondContact OE1-NH2 3.08Å; E502-R506 IonicContact OE2-CZ 2.77Å; E502-R506 IonicContact OE2-NH1 3.95Å; E502-R506 PolarHBondContact OE2-NH1 3.01Å; E502-R506 IonicContact OE2-NH2 3.97Å; E502-R506 PolarHBondContact OE2-NH2 2.52Å
503Q76.1Confident69.4Low102 Ų10282.9 Ų82.948%0.47745%0.451SS..Hα-helixtrans-61.2-39.8173.2-73170.9-4.400112.2D499 R506 T507D499-Q503 WeakPolarHBondContact O-CB 3.4Å; D499-Q503 WeakPolarHBondContact O-CG 3.45Å; D499-Q503 PolarHBondContact O-N 3.38Å; D499-Q503 VanDerWaalsContact O-N 3.15Å; Q503-R506 PolarHBondContact O-N 2.84Å; Q503-T507 WeakPolarHBondContact O-CB 3.19Å; Q503-T507 PolarHBondContact O-N 3.45Å; Q503-T507 PolarHBondContact O-OG1 2.69Å
504H81.6Confident70.5Confident85 Ų8577.9 Ų77.939%0.39443%0.425SS..Hα-helixtrans-61-48.4175.5-177.864.5000111.7S500 F501 E502 R506 T507 I508S500-H504 VanDerWaalsContact O-CB 3.27Å; S500-H504 WeakPolarHBondContact O-CB 3.18Å; S500-H504 PolarHBondContact O-N 3.43Å; F501-H504 WeakPolarHBondContact O-CB 3.27Å; F501-H504 PolarHBondContact O-N 3.42Å; E502-H504 VanDerWaalsContact C-N 3.32Å; E502-H504 PolarHBondContact O-N 2.79Å; H504-R506 PolarHBondContact O-N 3.28Å; H504-T507 WeakPolarHBondContact O-CB 3.41Å; H504-T507 PolarHBondContact O-N 3.23Å; H504-T507 VanDerWaalsContact O-N 3.1Å; H504-I508 WeakPolarHBondContact O-CG1 3.25Å; H504-I508 PolarHBondContact O-N 2.88Å
505I85.6Confident71.8Confident19 Ų1971.4 Ų71.410%0.09740%0.404CS..Hα-helixtrans-62.8-42.8176-64.5-61.4000111.7F501 E502 T507 I508 L509 A555 E558 M559F501-I505 HydrophobicContact CD1-CG1 4.22Å; F501-I505 HydrophobicContact CE1-CD1 4.21Å; F501-I505 HydrophobicContact CE1-CG1 3.75Å; F501-I505 HydrophobicContact CE2-CD1 4.2Å; F501-I505 HydrophobicContact CE2-CG1 4.28Å; F501-I505 HydrophobicContact CZ-CD1 3.75Å; F501-I505 HydrophobicContact CZ-CG1 3.78Å; F501-I505 WeakPolarHBondContact O-CG1 3.41Å; F501-I505 PolarHBondContact O-N 3.03Å; E502-I505 PolarHBondContact O-N 2.89Å; I505-T507 PolarHBondContact O-N 3.35Å; I505-I508 HydrophobicContact CD1-CD1 4.29Å; I505-I508 PolarHBondContact O-N 2.89Å; I505-L509 HydrophobicContact CG2-CD1 3.89Å; I505-L509 HydrophobicContact CG2-CG 4.39Å; I505-L509 WeakPolarHBondContact O-CG 3.39Å; I505-L509 PolarHBondContact O-N 3.2Å; I505-A555 HydrophobicContact CD1-CB 4.5Å; I505-A555 HydrophobicContact CG2-CB 4.38Å; I505-E558 HydrophobicContact CD1-CB 3.91Å; I505-M559 HydrophobicContact CD1-CG 3.89Å; I505-M559 HydrophobicContact CG1-CG 4.35Å; I505-M559 HydrophobicContact CG2-CE 4.28Å
506R79.3Confident73.3Confident131 Ų13168.4 Ų68.449%0.49437%0.372SS..Hα-helixtrans-58-36.4173.9-76-174.5-176.81090.7112.1E502 Q503 H504 L509 A510E502-R506 WeakPolarHBondContact O-CG 3.34Å; E502-R506 PolarHBondContact O-N 2.88Å; E502-R506 IonicContact OE1-CZ 2.75Å; E502-R506 VanDerWaalsContact OE1-CZ 3.29Å; E502-R506 IonicContact OE1-NH1 3.72Å; E502-R506 IonicContact OE1-NH2 3.66Å; E502-R506 PolarHBondContact OE1-NH2 3.08Å; E502-R506 IonicContact OE2-CZ 2.77Å; E502-R506 IonicContact OE2-NH1 3.95Å; E502-R506 PolarHBondContact OE2-NH1 3.01Å; E502-R506 IonicContact OE2-NH2 3.97Å; E502-R506 PolarHBondContact OE2-NH2 2.52Å; Q503-R506 PolarHBondContact O-N 2.84Å; H504-R506 PolarHBondContact O-N 3.28Å; R506-L509 PolarHBondContact O-N 3.48Å; R506-A510 PolarHBondContact O-N 3.18Å
507T81.2Confident74.6Confident65 Ų6565.4 Ų65.440%0.39936%0.355SS..Hα-helixtrans-71.8-38.8179.8-57.70000111.4K418 Q503 H504 I505 L509 A510K418-T507 PolarHBondContact NZ-OG1 2.87Å; Q503-T507 WeakPolarHBondContact O-CB 3.19Å; Q503-T507 PolarHBondContact O-N 3.45Å; Q503-T507 PolarHBondContact O-OG1 2.69Å; H504-T507 WeakPolarHBondContact O-CB 3.41Å; H504-T507 PolarHBondContact O-N 3.23Å; H504-T507 VanDerWaalsContact O-N 3.1Å; I505-T507 PolarHBondContact O-N 3.35Å; T507-L509 VanDerWaalsContact C-N 3.32Å; T507-L509 PolarHBondContact O-N 2.99Å; T507-A510 WeakPolarHBondContact O-CB 3.46Å; T507-A510 PolarHBondContact O-N 3.31Å
508I86Confident75.7Confident26 Ų2666.4 Ų66.413%0.13336%0.358CS..Hα-helixtrans-62.6-41.6172.6-66.3165.2000111H504 I505 A510 K551 M554 A555 E558H504-I508 WeakPolarHBondContact O-CG1 3.25Å; H504-I508 PolarHBondContact O-N 2.88Å; I505-I508 HydrophobicContact CD1-CD1 4.29Å; I505-I508 PolarHBondContact O-N 2.89Å; I508-A510 VanDerWaalsContact C-N 3.29Å; I508-A510 PolarHBondContact O-N 2.85Å; I508-K551 WeakPolarHBondContact CG2-O 3.32Å; I508-K551 WeakPolarHBondContact O-CD 3.33Å; I508-M554 HydrophobicContact CG2-CB 3.86Å; I508-A555 HydrophobicContact CG2-CB 4Å; I508-E558 HydrophobicContact CD1-CB 4.36Å; I508-E558 HydrophobicContact CD1-CG 3.71Å
509L83.9Confident76.2Confident72 Ų7263 Ų6338%0.37733%0.334SS..THydrogen-bonded Turntrans-80.5-6.7-178.7-65.7176.1000113.9I505 R506 T507 R511 Q552 A555I505-L509 HydrophobicContact CG2-CD1 3.89Å; I505-L509 HydrophobicContact CG2-CG 4.39Å; I505-L509 WeakPolarHBondContact O-CG 3.39Å; I505-L509 PolarHBondContact O-N 3.2Å; R506-L509 PolarHBondContact O-N 3.48Å; T507-L509 VanDerWaalsContact C-N 3.32Å; T507-L509 PolarHBondContact O-N 2.99Å; L509-R511 PolarHBondContact O-N 3.05Å; L509-Q552 HydrophobicContact CD2-CG 4.14Å; L509-A555 HydrophobicContact CD2-CB 3.72Å; L509-A555 HydrophobicContact CG-CB 4.03Å
510A77.1Confident76.3Confident46 Ų4667.5 Ų67.538%0.3835%0.348SS..  trans-66.5127.6178.300000110R506 T507 I508 K551R506-A510 PolarHBondContact O-N 3.18Å; T507-A510 WeakPolarHBondContact O-CB 3.46Å; T507-A510 PolarHBondContact O-N 3.31Å; I508-A510 VanDerWaalsContact C-N 3.29Å; I508-A510 PolarHBondContact O-N 2.85Å; A510-K551 PolarHBondContact O-NZ 3.42Å
511R76Confident75.4Confident91 Ų9165.4 Ų65.434%0.34334%0.335SS..  trans-97.6143.5-178.2-60.1-179.7-169.7137.36110.6L509 N514 E547 Y548L509-R511 PolarHBondContact O-N 3.05Å; R511-N514 WeakPolarHBondContact CD-OD1 3.19Å; R511-E547 VanDerWaalsContact CA-OE2 3.24Å; R511-E547 WeakPolarHBondContact CA-OE2 3.3Å; R511-Y548 VanDerWaalsContact NH1-CE1 3.34Å; R511-Y548 PolarHBondContact NH1-OH 3.17Å
512S69Low73.7Confident102 Ų10265.3 Ų65.371%0.71335%0.351SS*.SBendtrans-95.9-25.617356.10000111.9E547S512-E547 PolarHBondContact N-OE2 3.46Å; S512-E547 VanDerWaalsContact OG-CD 3.32Å; S512-E547 PolarHBondContact OG-OE1 3.48Å; S512-E547 PolarHBondContact OG-OE2 2.79Å
513S72.9Confident72.3Confident49 Ų4965.1 Ų65.134%0.34335%0.353SS..  trans-141.7148.9177.264.30000111.2
514N74.3Confident71Confident22 Ų2270.4 Ų70.412%0.11838%0.375CS..  trans-121.7150.8178.5-74.6-19.7000110.1E423 R511 P516 Y548E423-N514 WeakPolarHBondContact CB-ND2 3.27Å; E423-N514 WeakPolarHBondContact CG-ND2 3.37Å; R511-N514 WeakPolarHBondContact CD-OD1 3.19Å; N514-P516 WeakPolarHBondContact O-CD 3.31Å; N514-Y548 PolarHBondContact OD1-OH 2.95Å
515N79.5Confident69.3Low39 Ų3975.2 Ų75.221%0.20940%0.398CS..  trans-94108171.7-17149.9000108.9V543 F544N515-V543 HydrophobicContact CB-CG1 4.06Å; N515-F544 HydrophobicContact CB-CE1 4.33Å; N515-F544 HydrophobicContact CB-CZ 4.09Å; N515-F544 WeakPolarHBondContact ND2-CZ 3.42Å
516P79.8Confident67.7Low5 Ų577.3 Ų77.33%0.03242%0.417CS..  trans-67.7160-177.527.3-34.6000111.7L348 H424 C427 N514 V518L348-P516 HydrophobicContact CD1-CG 4.42Å; L348-P516 HydrophobicContact CD2-CG 3.7Å; H424-P516 HydrophobicContact CB-CB 4.13Å; H424-P516 HydrophobicContact CB-CG 4.43Å; H424-P516 WeakPolarHBondContact O-CA 3.41Å; H424-P516 VanDerWaalsContact O-CB 3.31Å; H424-P516 WeakPolarHBondContact O-CB 3.46Å; C427-P516 HydrophobicContact CB-CB 3.85Å; C427-P516 HydrophobicContact CB-CG 3.69Å; N514-P516 WeakPolarHBondContact O-CD 3.31Å; P516-V518 HydrophobicContact CG-CG2 4.47Å; P516-V518 PolarHBondContact O-N 3.18Å; P516-V518 VanDerWaalsContact O-N 3.11Å
517M77.1Confident66.5Low78 Ų7876.1 Ų76.138%0.38443%0.429SS..EExtended strand (participates in β ladder)trans-66.9110.9163.1-178.4174.616200108.2I425 L426 C427 I464 L466 L519I425-M517 PolarHBondContact O-N 3.47Å; L426-M517 HydrophobicContact CD1-CB 4.31Å; L426-M517 HydrophobicContact CD1-CG 4.35Å; C427-M517 PolarHBondContact N-O 3.48Å; I464-M517 HydrophobicContact CG1-CE 4.39Å; I464-M517 HydrophobicContact CG2-CE 3.99Å; I464-M517 HydrophobicContact CG2-SD 3.88Å; L466-M517 HydrophobicContact CD2-SD 4.31Å; M517-L519 HydrophobicContact CE-CD2 3.84Å
518V72.3Confident65.5Low55 Ų5574.6 Ų74.633%0.33342%0.42SS..EExtended strand (participates in β ladder)trans-88.5116.1177.6-179.40000108.8L348 C427 P430 P516L348-V518 HydrophobicContact CD1-CG2 3.98Å; C427-V518 HydrophobicContact CB-CG2 4.38Å; P430-V518 HydrophobicContact CB-CG1 3.74Å; P430-V518 HydrophobicContact CG-CG1 3.77Å; P516-V518 HydrophobicContact CG-CG2 4.47Å; P516-V518 PolarHBondContact O-N 3.18Å; P516-V518 VanDerWaalsContact O-N 3.11Å
519L63.2Low64.9Low9 Ų975.8 Ų75.85%0.04743%0.43CS..  trans-73.2148.7171.9-69.5174.7000111.1L426 C427 T428 T458 I464 M517 A521L426-L519 HydrophobicContact CD1-CD1 3.88Å; L426-L519 HydrophobicContact CD1-CD2 4.26Å; L426-L519 HydrophobicContact CD1-CG 3.72Å; L426-L519 HydrophobicContact CD2-CD1 4.24Å; L426-L519 HydrophobicContact CG-CD1 4.33Å; C427-L519 PolarHBondContact O-N 3.5Å; C427-L519 VanDerWaalsContact O-N 3.11Å; T428-L519 HydrophobicContact CG2-CD1 4.04Å; T458-L519 HydrophobicContact CG2-CD1 3.42Å; T458-L519 VanDerWaalsContact CG2-CD1 3.42Å; I464-L519 HydrophobicContact CD1-CD1 3.56Å; I464-L519 HydrophobicContact CD1-CD2 3.59Å; I464-L519 HydrophobicContact CD1-CG 4.04Å; I464-L519 HydrophobicContact CG1-CD2 4.22Å; M517-L519 HydrophobicContact CE-CD2 3.84Å; L519-A521 PolarHBondContact O-N 3.16Å; L519-A521 VanDerWaalsContact O-N 3.12Å
520K56.9Low64.7Low193 Ų19376.9 Ų76.984%0.83944%0.442SS*.  trans-63.1115.6161.2-68.1-179.9179.8176.50106
521A50.7Low64.8Low21 Ų2177.7 Ų77.717%0.17445%0.448CS..  trans-51.7148.1173.400000109.5L519 D523L519-A521 PolarHBondContact O-N 3.16Å; L519-A521 VanDerWaalsContact O-N 3.12Å; A521-D523 PolarHBondContact O-N 2.94Å
522G45.8Very low64.9Low59 Ų5975.5 Ų75.561%0.60844%0.442SS*.SBendtrans-54.6-14.8-166.100000116.8K524G522-K524 PolarHBondContact O-N 3.41Å
523D49.7Very low65.5Low98 Ų9876.8 Ų76.852%0.52443%0.431SS..  trans-89.7104.3176.6-79.8-37.4000112.3A521 E525 A526A521-D523 PolarHBondContact O-N 2.94Å; D523-E525 PolarHBondContact O-N 3.41Å; D523-A526 HydrophobicContact CB-CB 3.82Å
524K49.9Very low66Low214 Ų21480 Ų8093%0.9344%0.444SS*.SBendtrans-62.9-15.7164.3-72.4179.2179.4171.80112.8G522G522-K524 PolarHBondContact O-N 3.41Å
525E46Very low66.5Low186 Ų18682.4 Ų82.487%0.86945%0.454SS*.SBendtrans-99.3-21.2-175.8-62.8-164.2161.900114.3D523 S527D523-E525 PolarHBondContact O-N 3.41Å; E525-S527 VanDerWaalsContact C-N 3.33Å; E525-S527 PolarHBondContact O-N 3.23Å; E525-S527 VanDerWaalsContact O-N 3.12Å
526A52.1Low66.7Low62 Ų6281.8 Ų81.851%0.51245%0.451SS..SBendtrans-88.272.8172.800000109.8D523 T528D523-A526 HydrophobicContact CB-CB 3.82Å; A526-T528 PolarHBondContact O-N 3.23Å
527S54.1Low67Low106 Ų10686.6 Ų86.674%0.74148%0.476SS*.  trans-58.2112.8174.567.60000109.3E525E525-S527 VanDerWaalsContact C-N 3.33Å; E525-S527 PolarHBondContact O-N 3.23Å; E525-S527 VanDerWaalsContact O-N 3.12Å
528T59.7Low67.5Low34 Ų3486.3 Ų86.321%0.20948%0.482CS..  trans-51.5137.9-179.653.90000111A526 R533A526-T528 PolarHBondContact O-N 3.23Å; T528-R533 PolarHBondContact O-NE 3.42Å; T528-R533 VanDerWaalsContact O-NE 3.12Å; T528-R533 PolarHBondContact O-NH2 3.46Å; T528-R533 WeakPolarHBondContact OG1-CD 3.3Å; T528-R533 WeakPolarHBondContact OG1-CG 3.28Å; T528-R533 PolarHBondContact OG1-NE 2.96Å; T528-R533 VanDerWaalsContact OG1-NE 3.13Å
529S73.7Confident68.1Low50 Ų5085.2 Ų85.235%0.3547%0.472SS..  trans-56.2142.1-179.581.90000109.1A531 E532 R533S529-A531 PolarHBondContact O-N 3.12Å; S529-A531 VanDerWaalsContact O-N 3.16Å; S529-E532 PolarHBondContact O-N 3.13Å; S529-E532 WeakPolarHBondContact OG-CB 3.27Å; S529-E532 VanDerWaalsContact OG-CG 3.28Å; S529-E532 WeakPolarHBondContact OG-CG 3.41Å; S529-E532 PolarHBondContact OG-N 3.24Å; S529-E532 VanDerWaalsContact OG-N 3.13Å; S529-R533 PolarHBondContact O-N 3.02Å; S529-R533 VanDerWaalsContact O-N 3.17Å
530P78.6Confident69.3Low96 Ų9685.4 Ų85.462%0.62347%0.474SS*.Hα-helixtrans-54.6-32.1177.4-26.634.7000112.8L534P530-L534 WeakPolarHBondContact O-CB 3.03Å; P530-L534 PolarHBondContact O-N 3.44Å
531A80.4Confident70.8Confident62 Ų6278.4 Ų78.451%0.51245%0.448SS..Hα-helixtrans-65.2-49.4176.800000112.5S529 R533 L534 Q535S529-A531 PolarHBondContact O-N 3.12Å; S529-A531 VanDerWaalsContact O-N 3.16Å; A531-R533 VanDerWaalsContact C-N 3.3Å; A531-R533 PolarHBondContact O-N 3.34Å; A531-L534 PolarHBondContact O-N 3.42Å; A531-Q535 WeakPolarHBondContact O-CB 3.46Å; A531-Q535 WeakPolarHBondContact O-CG 3.1Å; A531-Q535 PolarHBondContact O-N 3.18Å
532E78.3Confident72.6Confident46 Ų4682.2 Ų82.222%0.21546%0.462CS..Hα-helixtrans-60.8-38.2177.1-77.5178.6167.700112.2L431 S433 S529 Q535 L536L431-E532 HydrophobicContact CD1-CB 3.69Å; L431-E532 HydrophobicContact CD1-CG 3.72Å; S433-E532 PolarHBondContact OG-OE1 2.77Å; S433-E532 VanDerWaalsContact OG-OE1 3.06Å; S529-E532 PolarHBondContact O-N 3.13Å; S529-E532 WeakPolarHBondContact OG-CB 3.27Å; S529-E532 VanDerWaalsContact OG-CG 3.28Å; S529-E532 WeakPolarHBondContact OG-CG 3.41Å; S529-E532 PolarHBondContact OG-N 3.24Å; S529-E532 VanDerWaalsContact OG-N 3.13Å; E532-Q535 WeakPolarHBondContact O-CB 3.45Å; E532-Q535 PolarHBondContact O-N 2.95Å; E532-L536 WeakPolarHBondContact O-CG 3.32Å; E532-L536 PolarHBondContact O-N 3.47Å
533R80.3Confident74.6Confident129 Ų12980.1 Ų80.149%0.48744%0.437SS..Hα-helixtrans-66.8-42.2175.3-78.1-175.7-80.7149.1-7.1112.3T528 S529 A531 Q535 L536 L537T528-R533 PolarHBondContact O-NE 3.42Å; T528-R533 VanDerWaalsContact O-NE 3.12Å; T528-R533 PolarHBondContact O-NH2 3.46Å; T528-R533 WeakPolarHBondContact OG1-CD 3.3Å; T528-R533 WeakPolarHBondContact OG1-CG 3.28Å; T528-R533 PolarHBondContact OG1-NE 2.96Å; T528-R533 VanDerWaalsContact OG1-NE 3.13Å; S529-R533 PolarHBondContact O-N 3.02Å; S529-R533 VanDerWaalsContact O-N 3.17Å; A531-R533 VanDerWaalsContact C-N 3.3Å; A531-R533 PolarHBondContact O-N 3.34Å; R533-Q535 VanDerWaalsContact C-N 3.3Å; R533-L536 PolarHBondContact O-N 2.86Å; R533-L537 VanDerWaalsContact O-CB 3.32Å; R533-L537 WeakPolarHBondContact O-CB 3.37Å; R533-L537 PolarHBondContact O-N 3.12Å
534L84.1Confident76.4Confident117 Ų11779.8 Ų79.861%0.61343%0.431SS*.Hα-helixtrans-63.3-40.8177-179.163.6000110.7P530 A531 L537 S538P530-L534 WeakPolarHBondContact O-CB 3.03Å; P530-L534 PolarHBondContact O-N 3.44Å; A531-L534 PolarHBondContact O-N 3.42Å; L534-L537 PolarHBondContact O-N 2.97Å; L534-S538 VanDerWaalsContact O-CB 3.28Å; L534-S538 WeakPolarHBondContact O-CB 3.22Å; L534-S538 PolarHBondContact O-N 2.86Å
535Q83.8Confident78.4Confident71 Ų7177.6 Ų77.633%0.33242%0.417SS..Hα-helixtrans-59.5-51175.2-86.6176.8-14.600112.6V350 A531 E532 R533 L537 S538 R539V350-Q535 HydrophobicContact CG1-CB 3.48Å; V350-Q535 VanDerWaalsContact CG1-CB 3.48Å; V350-Q535 HydrophobicContact CG1-CG 3.58Å; A531-Q535 WeakPolarHBondContact O-CB 3.46Å; A531-Q535 WeakPolarHBondContact O-CG 3.1Å; A531-Q535 PolarHBondContact O-N 3.18Å; E532-Q535 WeakPolarHBondContact O-CB 3.45Å; E532-Q535 PolarHBondContact O-N 2.95Å; R533-Q535 VanDerWaalsContact C-N 3.3Å; Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 3.24Å; Q535-S538 PolarHBondContact O-N 3.5Å; Q535-R539 PolarHBondContact O-N 2.95Å
536L83.9Confident80.4Confident27 Ų2772.9 Ų72.914%0.14140%0.395CS..Hα-helixtrans-61-40.7175.9-70.4173.5000111.9L348 V350 P430 L431 E532 R533 A540L348-L536 HydrophobicContact CD1-CD2 3.93Å; V350-L536 HydrophobicContact CG2-CD2 4.29Å; P430-L536 HydrophobicContact CB-CD1 4.2Å; P430-L536 HydrophobicContact CB-CD2 4.1Å; P430-L536 HydrophobicContact CG-CD1 4.5Å; L431-L536 HydrophobicContact CD1-CD1 4.21Å; L431-L536 HydrophobicContact CD2-CD2 4.31Å; L431-L536 HydrophobicContact CG-CD1 4.42Å; L431-L536 HydrophobicContact CG-CD2 4.46Å; E532-L536 WeakPolarHBondContact O-CG 3.32Å; E532-L536 PolarHBondContact O-N 3.47Å; R533-L536 PolarHBondContact O-N 2.86Å; L536-A540 WeakPolarHBondContact O-CB 3.45Å; L536-A540 PolarHBondContact O-N 3.27Å
537L85.9Confident82Confident106 Ų10671 Ų7156%0.55538%0.376SS*.Hα-helixtrans-66.9-40.1177.1-179.563.5000112.1R533 L534 Q535 A540 T541R533-L537 VanDerWaalsContact O-CB 3.32Å; R533-L537 WeakPolarHBondContact O-CB 3.37Å; R533-L537 PolarHBondContact O-N 3.12Å; L534-L537 PolarHBondContact O-N 2.97Å; Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 3.24Å; L537-A540 PolarHBondContact O-N 2.92Å; L537-T541 VanDerWaalsContact O-CB 3.31Å; L537-T541 WeakPolarHBondContact O-CB 3.38Å; L537-T541 PolarHBondContact O-N 3.17Å; L537-T541 PolarHBondContact O-OG1 3.22Å
538S87.5Confident83.6Confident71 Ų7168.1 Ų68.150%0.49735%0.349SS..Hα-helixtrans-62.1-49.4177.4-173.20000110.3L534 Q535 A540 T541 Q542L534-S538 VanDerWaalsContact O-CB 3.28Å; L534-S538 WeakPolarHBondContact O-CB 3.22Å; L534-S538 PolarHBondContact O-N 2.86Å; Q535-S538 PolarHBondContact O-N 3.5Å; S538-A540 PolarHBondContact O-N 2.95Å; S538-T541 PolarHBondContact O-N 3.37Å; S538-Q542 WeakPolarHBondContact O-CB 3.46Å; S538-Q542 PolarHBondContact O-N 3.23Å
539R86.4Confident85.1Confident33 Ų3370.8 Ų70.813%0.12536%0.361CS..Hα-helixtrans-55.8-50.9173.9-178.4-177.8-177.4-97.32.9111.6E345 L348 R349 Q535 T541 Q542 V543E345-R539 IonicContact OE1-CZ 3.52Å; E345-R539 IonicContact OE1-NH2 2.66Å; E345-R539 PolarHBondContact OE1-NH2 3.26Å; E345-R539 IonicContact OE2-NH2 3.37Å; E345-R539 PolarHBondContact OE2-NH2 3.11Å; L348-R539 VanDerWaalsContact CD2-NH1 3.26Å; R349-R539 VanDerWaalsContact O-CD 3.24Å; R349-R539 WeakPolarHBondContact O-CD 3.26Å; R349-R539 PolarHBondContact O-NE 3.5Å; Q535-R539 PolarHBondContact O-N 2.95Å; R539-T541 VanDerWaalsContact C-N 3.32Å; R539-T541 PolarHBondContact O-N 3.02Å; R539-Q542 PolarHBondContact O-N 3.45Å; R539-V543 WeakPolarHBondContact O-CG2 3.33Å; R539-V543 PolarHBondContact O-N 3.34Å
540A87.2Confident86Confident13 Ų1373.1 Ų73.111%0.10737%0.368CS..Hα-helixtrans-59.6-43178.300000111.9L536 L537 S538 Q542 V543 F544L536-A540 WeakPolarHBondContact O-CB 3.45Å; L536-A540 PolarHBondContact O-N 3.27Å; L537-A540 PolarHBondContact O-N 2.92Å; S538-A540 PolarHBondContact O-N 2.95Å; A540-Q542 VanDerWaalsContact C-N 3.35Å; A540-Q542 PolarHBondContact O-N 2.86Å; A540-V543 PolarHBondContact O-N 3.05Å; A540-F544 HydrophobicContact CB-CE2 4.31Å; A540-F544 WeakPolarHBondContact O-CD2 3.45Å; A540-F544 WeakPolarHBondContact O-CG 3.49Å; A540-F544 PolarHBondContact O-N 2.72Å
541T88.5Confident86.5Confident46 Ų4670.2 Ų70.228%0.28235%0.345SS..Hα-helixtrans-63.6-41.4178.3-57.80000111.5L537 S538 R539 F544 R545L537-T541 VanDerWaalsContact O-CB 3.31Å; L537-T541 WeakPolarHBondContact O-CB 3.38Å; L537-T541 PolarHBondContact O-N 3.17Å; L537-T541 PolarHBondContact O-OG1 3.22Å; S538-T541 PolarHBondContact O-N 3.37Å; R539-T541 VanDerWaalsContact C-N 3.32Å; R539-T541 PolarHBondContact O-N 3.02Å; T541-F544 PolarHBondContact O-N 2.97Å; T541-R545 WeakPolarHBondContact O-CB 3.46Å; T541-R545 VanDerWaalsContact O-CG 3.31Å; T541-R545 WeakPolarHBondContact O-CG 3.37Å; T541-R545 PolarHBondContact O-N 2.86Å
542Q88.7Confident87.1Confident101 Ų10172.1 Ų72.147%0.47234%0.343SS..Hα-helixtrans-62.4-51.6176.3-174.1177.5-0.800110.9S538 R539 A540 F544 R545 E546S538-Q542 WeakPolarHBondContact O-CB 3.46Å; S538-Q542 PolarHBondContact O-N 3.23Å; R539-Q542 PolarHBondContact O-N 3.45Å; A540-Q542 VanDerWaalsContact C-N 3.35Å; A540-Q542 PolarHBondContact O-N 2.86Å; Q542-F544 VanDerWaalsContact C-N 3.33Å; Q542-F544 PolarHBondContact O-N 2.68Å; Q542-R545 PolarHBondContact O-N 3.42Å; Q542-R545 VanDerWaalsContact O-N 3.12Å; Q542-E546 HydrophobicContact CG-CG 4.38Å; Q542-E546 VanDerWaalsContact CG-OE1 3.22Å; Q542-E546 WeakPolarHBondContact CG-OE1 2.97Å; Q542-E546 PolarHBondContact NE2-OE1 3.28Å; Q542-E546 PolarHBondContact O-N 3.15Å
543V87.3Confident87.8Confident15 Ų1572.5 Ų72.59%0.09135%0.347CS..Hα-helixtrans-57.1-45.7177.3173.40000110.9N515 R539 A540 R545 E547 Y548N515-V543 HydrophobicContact CB-CG1 4.06Å; R539-V543 WeakPolarHBondContact O-CG2 3.33Å; R539-V543 PolarHBondContact O-N 3.34Å; A540-V543 PolarHBondContact O-N 3.05Å; V543-R545 PolarHBondContact O-N 3.47Å; V543-E547 HydrophobicContact CG1-CB 4.34Å; V543-E547 HydrophobicContact CG1-CG 4.48Å; V543-E547 WeakPolarHBondContact O-CA 3.34Å; V543-E547 VanDerWaalsContact O-CB 3.3Å; V543-E547 WeakPolarHBondContact O-CB 3.31Å; V543-E547 PolarHBondContact O-N 2.88Å; V543-Y548 HydrophobicContact CG1-CD2 4.39Å; V543-Y548 HydrophobicContact CG1-CE2 3.99Å
544F88.6Confident88.4Confident90 Ų9070.9 Ų70.940%0.39535%0.346SS..Iπ-helixtrans-64.9-36.7178.1-72.1-51000113.3N515 A540 T541 Q542 Y548 I549N515-F544 HydrophobicContact CB-CE1 4.33Å; N515-F544 HydrophobicContact CB-CZ 4.09Å; N515-F544 WeakPolarHBondContact ND2-CZ 3.42Å; A540-F544 HydrophobicContact CB-CE2 4.31Å; A540-F544 WeakPolarHBondContact O-CD2 3.45Å; A540-F544 WeakPolarHBondContact O-CG 3.49Å; A540-F544 PolarHBondContact O-N 2.72Å; T541-F544 PolarHBondContact O-N 2.97Å; Q542-F544 VanDerWaalsContact C-N 3.33Å; Q542-F544 PolarHBondContact O-N 2.68Å; F544-Y548 HydrophobicContact CD1-CD1 4.33Å; F544-Y548 AromaticContact CD1-CD2 3.8Å; F544-Y548 HydrophobicContact CD1-CD2 3.8Å; F544-Y548 HydrophobicContact CD1-CE2 4.14Å; F544-Y548 AromaticContact CD1-CG 3.95Å; F544-Y548 HydrophobicContact CD1-CG 3.95Å; F544-Y548 HydrophobicContact CE1-CD2 4.46Å; F544-Y548 HydrophobicContact CE1-CE1 4.49Å; F544-Y548 HydrophobicContact CE1-CE2 4.38Å; F544-Y548 WeakPolarHBondContact O-CB 3.24Å; F544-Y548 PolarHBondContact O-N 3.22Å; F544-I549 WeakPolarHBondContact O-CG1 3.43Å; F544-I549 PolarHBondContact O-N 3.06Å
545R90.5Very high88.8Confident168 Ų16865.3 Ų65.363%0.63432%0.317SS*.Iπ-helixtrans-68.4-49.8177.4-76.4176.5-177.9164.52.4111.5T541 Q542 V543 M550T541-R545 WeakPolarHBondContact O-CB 3.46Å; T541-R545 VanDerWaalsContact O-CG 3.31Å; T541-R545 WeakPolarHBondContact O-CG 3.37Å; T541-R545 PolarHBondContact O-N 2.86Å; Q542-R545 PolarHBondContact O-N 3.42Å; Q542-R545 VanDerWaalsContact O-N 3.12Å; V543-R545 PolarHBondContact O-N 3.47Å; R545-M550 VanDerWaalsContact O-CB 3.24Å; R545-M550 WeakPolarHBondContact O-CB 3.26Å; R545-M550 PolarHBondContact O-N 3Å
546E89.4Confident89.3Confident87 Ų8767.5 Ų67.541%0.40732%0.323SS..Iπ-helixtrans-79.6-48.6-171.6-66.1172.6-174.300112.2Q542Q542-E546 HydrophobicContact CG-CG 4.38Å; Q542-E546 VanDerWaalsContact CG-OE1 3.22Å; Q542-E546 WeakPolarHBondContact CG-OE1 2.97Å; Q542-E546 PolarHBondContact NE2-OE1 3.28Å; Q542-E546 PolarHBondContact O-N 3.15Å
547E85.9Confident89.8Confident24 Ų2471.1 Ų71.111%0.11234%0.339CS..Iπ-helixtrans-91.4-22.3-171.7-67.6-66.6120.900113.9R511 S512 V543 K551R511-E547 VanDerWaalsContact CA-OE2 3.24Å; R511-E547 WeakPolarHBondContact CA-OE2 3.3Å; S512-E547 PolarHBondContact N-OE2 3.46Å; S512-E547 VanDerWaalsContact OG-CD 3.32Å; S512-E547 PolarHBondContact OG-OE1 3.48Å; S512-E547 PolarHBondContact OG-OE2 2.79Å; V543-E547 HydrophobicContact CG1-CB 4.34Å; V543-E547 HydrophobicContact CG1-CG 4.48Å; V543-E547 WeakPolarHBondContact O-CA 3.34Å; V543-E547 VanDerWaalsContact O-CB 3.3Å; V543-E547 WeakPolarHBondContact O-CB 3.31Å; V543-E547 PolarHBondContact O-N 2.88Å; E547-K551 WeakPolarHBondContact O-CD 3.45Å; E547-K551 WeakPolarHBondContact OE1-CE 3.31Å; E547-K551 IonicContact OE1-NZ 3.78Å; E547-K551 PolarHBondContact OE1-NZ 3.22Å; E547-K551 IonicContact OE2-NZ 3.31Å; E547-K551 PolarHBondContact OE2-NZ 2.76Å
548Y87.2Confident90.1Very high45 Ų4569 Ų6918%0.17633%0.326CS..Iπ-helixtrans-107.6-66.5-177.5-66.9-111.7000111.3R511 N514 V543 F544 Q552R511-Y548 VanDerWaalsContact NH1-CE1 3.34Å; R511-Y548 PolarHBondContact NH1-OH 3.17Å; N514-Y548 PolarHBondContact OD1-OH 2.95Å; V543-Y548 HydrophobicContact CG1-CD2 4.39Å; V543-Y548 HydrophobicContact CG1-CE2 3.99Å; F544-Y548 HydrophobicContact CD1-CD1 4.33Å; F544-Y548 AromaticContact CD1-CD2 3.8Å; F544-Y548 HydrophobicContact CD1-CD2 3.8Å; F544-Y548 HydrophobicContact CD1-CE2 4.14Å; F544-Y548 AromaticContact CD1-CG 3.95Å; F544-Y548 HydrophobicContact CD1-CG 3.95Å; F544-Y548 HydrophobicContact CE1-CD2 4.46Å; F544-Y548 HydrophobicContact CE1-CE1 4.49Å; F544-Y548 HydrophobicContact CE1-CE2 4.38Å; F544-Y548 WeakPolarHBondContact O-CB 3.24Å; F544-Y548 PolarHBondContact O-N 3.22Å; Y548-Q552 VanDerWaalsContact O-CB 3.28Å; Y548-Q552 WeakPolarHBondContact O-CB 3.38Å; Y548-Q552 WeakPolarHBondContact O-CG 3.32Å; Y548-Q552 PolarHBondContact O-N 2.91Å
549I91.6Very high90.2Very high90 Ų9069.5 Ų69.546%0.46232%0.321SS..Iπ-helixtrans-68.3-53-170.6-63.8169.9000110.6F544 K551 Q552 D553F544-I549 WeakPolarHBondContact O-CG1 3.43Å; F544-I549 PolarHBondContact O-N 3.06Å; I549-K551 PolarHBondContact O-N 2.8Å; I549-Q552 PolarHBondContact O-N 3.39Å; I549-D553 WeakPolarHBondContact O-CB 3.31Å; I549-D553 PolarHBondContact O-N 2.8Å
550M92.1Very high90.6Very high99 Ų9972.2 Ų72.249%0.48834%0.336SS..Iπ-helixtrans-60.9-44.1-176.8-171.817874.100112.1R545 D553 M554R545-M550 VanDerWaalsContact O-CB 3.24Å; R545-M550 WeakPolarHBondContact O-CB 3.26Å; R545-M550 PolarHBondContact O-N 3Å; M550-D553 PolarHBondContact O-N 3.48Å; M550-M554 VanDerWaalsContact O-CG 3.31Å; M550-M554 WeakPolarHBondContact O-CG 3.25Å; M550-M554 PolarHBondContact O-N 2.84Å
551K89.9Confident90.8Very high35 Ų3577.8 Ų77.815%0.15235%0.354CS..Hα-helixtrans-65.5-38.8176.6-69.9-175.9178.6178.40112.8I508 A510 E547 I549 M554 A555I508-K551 WeakPolarHBondContact CG2-O 3.32Å; I508-K551 WeakPolarHBondContact O-CD 3.33Å; A510-K551 PolarHBondContact O-NZ 3.42Å; E547-K551 WeakPolarHBondContact O-CD 3.45Å; E547-K551 WeakPolarHBondContact OE1-CE 3.31Å; E547-K551 IonicContact OE1-NZ 3.78Å; E547-K551 PolarHBondContact OE1-NZ 3.22Å; E547-K551 IonicContact OE2-NZ 3.31Å; E547-K551 PolarHBondContact OE2-NZ 2.76Å; I549-K551 PolarHBondContact O-N 2.8Å; K551-M554 PolarHBondContact O-N 2.72Å; K551-A555 WeakPolarHBondContact O-CB 3.43Å; K551-A555 PolarHBondContact O-N 3.48Å
552Q91.4Very high90.8Very high101 Ų10179.3 Ų79.347%0.47235%0.354SS..Hα-helixtrans-66.1-39.3174.3-76175.11.300112.1L509 Y548 I549 A555 R556L509-Q552 HydrophobicContact CD2-CG 4.14Å; Y548-Q552 VanDerWaalsContact O-CB 3.28Å; Y548-Q552 WeakPolarHBondContact O-CB 3.38Å; Y548-Q552 WeakPolarHBondContact O-CG 3.32Å; Y548-Q552 PolarHBondContact O-N 2.91Å; I549-Q552 PolarHBondContact O-N 3.39Å; Q552-A555 PolarHBondContact O-N 2.85Å; Q552-R556 WeakPolarHBondContact O-CB 3.43Å; Q552-R556 PolarHBondContact O-N 2.85Å
553D92.8Very high90.9Very high54 Ų5478.8 Ų78.829%0.28936%0.358SS..Hα-helixtrans-64.1-45.7175.1-76.3-32.1000111.2I549 M550 A555 R556 E557I549-D553 WeakPolarHBondContact O-CB 3.31Å; I549-D553 PolarHBondContact O-N 2.8Å; M550-D553 PolarHBondContact O-N 3.48Å; D553-A555 PolarHBondContact O-N 2.81Å; D553-R556 WeakPolarHBondContact O-CB 3.37Å; D553-R556 PolarHBondContact O-N 2.91Å; D553-R556 IonicContact OD1-CZ 3.86Å; D553-R556 IonicContact OD1-NH1 3.97Å; D553-R556 PolarHBondContact OD1-NH1 2.9Å; D553-R556 IonicContact OD1-NH2 2.58Å; D553-R556 PolarHBondContact OD1-NH2 2.67Å; D553-E557 WeakPolarHBondContact O-CG 3.38Å; D553-E557 PolarHBondContact O-N 2.94Å
554M92.9Very high91.2Very high95 Ų9584.5 Ų84.547%0.46838%0.381SS..Hα-helixtrans-58.6-45.5174.1-71.6177.37000112I508 M550 K551 R556 E557 E558I508-M554 HydrophobicContact CG2-CB 3.86Å; M550-M554 VanDerWaalsContact O-CG 3.31Å; M550-M554 WeakPolarHBondContact O-CG 3.25Å; M550-M554 PolarHBondContact O-N 2.84Å; K551-M554 PolarHBondContact O-N 2.72Å; M554-R556 VanDerWaalsContact C-N 3.33Å; M554-R556 PolarHBondContact O-N 3.05Å; M554-E557 PolarHBondContact O-N 2.77Å; M554-E558 PolarHBondContact O-N 3.02Å
555A92.6Very high91.3Very high1 Ų184.1 Ų84.11%0.00838%0.383CS..Hα-helixtrans-63-39.9177.300000111.7I505 I508 L509 K551 Q552 D553 E558 M559I505-A555 HydrophobicContact CD1-CB 4.5Å; I505-A555 HydrophobicContact CG2-CB 4.38Å; I508-A555 HydrophobicContact CG2-CB 4Å; L509-A555 HydrophobicContact CD2-CB 3.72Å; L509-A555 HydrophobicContact CG-CB 4.03Å; K551-A555 WeakPolarHBondContact O-CB 3.43Å; K551-A555 PolarHBondContact O-N 3.48Å; Q552-A555 PolarHBondContact O-N 2.85Å; D553-A555 PolarHBondContact O-N 2.81Å; A555-E558 PolarHBondContact O-N 3.35Å; A555-M559 HydrophobicContact CB-CE 3.92Å; A555-M559 WeakPolarHBondContact O-CB 3.11Å; A555-M559 WeakPolarHBondContact O-CE 3.36Å; A555-M559 VanDerWaalsContact O-CG 3.3Å; A555-M559 WeakPolarHBondContact O-CG 3.39Å; A555-M559 PolarHBondContact O-N 2.8Å
556R94.3Very high91.2Very high117 Ų11779.8 Ų79.844%0.44237%0.372SS..Hα-helixtrans-60.3-47.3174-179.3-17467.1-131.4-9.5111Q552 D553 M554 E558 M559 E560Q552-R556 WeakPolarHBondContact O-CB 3.43Å; Q552-R556 PolarHBondContact O-N 2.85Å; D553-R556 WeakPolarHBondContact O-CB 3.37Å; D553-R556 PolarHBondContact O-N 2.91Å; D553-R556 IonicContact OD1-CZ 3.86Å; D553-R556 IonicContact OD1-NH1 3.97Å; D553-R556 PolarHBondContact OD1-NH1 2.9Å; D553-R556 IonicContact OD1-NH2 2.58Å; D553-R556 PolarHBondContact OD1-NH2 2.67Å; M554-R556 VanDerWaalsContact C-N 3.33Å; M554-R556 PolarHBondContact O-N 3.05Å; R556-E558 PolarHBondContact O-N 2.86Å; R556-M559 PolarHBondContact O-N 2.95Å; R556-E560 HydrophobicContact CG-CG 4.46Å; R556-E560 WeakPolarHBondContact O-CG 3.42Å; R556-E560 PolarHBondContact O-N 2.85Å
557E94.8Very high91.4Very high103 Ų10379.2 Ų79.248%0.48138%0.375SS..Hα-helixtrans-62-43179.8-73.6-178.9-17300112.4D553 M554 E560 R561D553-E557 WeakPolarHBondContact O-CG 3.38Å; D553-E557 PolarHBondContact O-N 2.94Å; M554-E557 PolarHBondContact O-N 2.77Å; E557-E560 PolarHBondContact O-N 3.01Å; E557-R561 WeakPolarHBondContact O-CB 3.36Å; E557-R561 PolarHBondContact O-N 3.29Å
558E91.8Very high91.7Very high60 Ų6082 Ų8228%0.2840%0.396SS..Hα-helixtrans-62.6-42.7174.3-74.1-55.6144.800112.1I505 I508 M554 A555 R556 R561 R562I505-E558 HydrophobicContact CD1-CB 3.91Å; I508-E558 HydrophobicContact CD1-CB 4.36Å; I508-E558 HydrophobicContact CD1-CG 3.71Å; M554-E558 PolarHBondContact O-N 3.02Å; A555-E558 PolarHBondContact O-N 3.35Å; R556-E558 PolarHBondContact O-N 2.86Å; E558-R561 PolarHBondContact O-N 3.49Å; E558-R561 IonicContact OE1-CZ 2.71Å; E558-R561 IonicContact OE1-NH1 2.94Å; E558-R561 PolarHBondContact OE1-NH1 2.92Å; E558-R561 IonicContact OE2-CZ 2.74Å; E558-R561 IonicContact OE2-NH1 3.32Å; E558-R561 PolarHBondContact OE2-NH1 3.41Å; E558-R562 WeakPolarHBondContact O-CB 3.29Å; E558-R562 PolarHBondContact O-N 2.86Å
559M91.1Very high91.8Very high83 Ų8384.1 Ų84.141%0.40941%0.408SS..Hα-helixtrans-62-45.7175.3-75.8-175.3-95.200111.8F501 I505 A555 R556 R561 R562 V563F501-M559 HydrophobicContact CE1-CG 4.21Å; F501-M559 HydrophobicContact CZ-CG 4.11Å; I505-M559 HydrophobicContact CD1-CG 3.89Å; I505-M559 HydrophobicContact CG1-CG 4.35Å; I505-M559 HydrophobicContact CG2-CE 4.28Å; A555-M559 HydrophobicContact CB-CE 3.92Å; A555-M559 WeakPolarHBondContact O-CB 3.11Å; A555-M559 WeakPolarHBondContact O-CE 3.36Å; A555-M559 VanDerWaalsContact O-CG 3.3Å; A555-M559 WeakPolarHBondContact O-CG 3.39Å; A555-M559 PolarHBondContact O-N 2.8Å; R556-M559 PolarHBondContact O-N 2.95Å; M559-R561 PolarHBondContact O-N 2.86Å; M559-R562 PolarHBondContact O-N 2.8Å; M559-V563 VanDerWaalsContact O-CG2 3.27Å; M559-V563 WeakPolarHBondContact O-CG2 3.25Å; M559-V563 PolarHBondContact O-N 2.94Å
560E94.4Very high91.8Very high90 Ų9086.6 Ų86.642%0.42142%0.416SS..Hα-helixtrans-63.2-41.7176.4-76.1-176.5-165.800112.3R556 E557 R562 V563 K564R556-E560 HydrophobicContact CG-CG 4.46Å; R556-E560 WeakPolarHBondContact O-CG 3.42Å; R556-E560 PolarHBondContact O-N 2.85Å; E557-E560 PolarHBondContact O-N 3.01Å; E560-R562 VanDerWaalsContact C-N 3.34Å; E560-R562 PolarHBondContact O-N 3.06Å; E560-V563 PolarHBondContact O-N 3.26Å; E560-K564 WeakPolarHBondContact O-CG 3.49Å; E560-K564 PolarHBondContact O-N 2.93Å
561R90.9Very high92Very high130 Ų13085.5 Ų85.549%0.49141%0.414SS..Hα-helixtrans-60.7-44.8175.6-170.7-175.6-66.1104.5-3.6110.7E557 E558 M559 K564 L565E557-R561 WeakPolarHBondContact O-CB 3.36Å; E557-R561 PolarHBondContact O-N 3.29Å; E558-R561 PolarHBondContact O-N 3.49Å; E558-R561 IonicContact OE1-CZ 2.71Å; E558-R561 IonicContact OE1-NH1 2.94Å; E558-R561 PolarHBondContact OE1-NH1 2.92Å; E558-R561 IonicContact OE2-CZ 2.74Å; E558-R561 IonicContact OE2-NH1 3.32Å; E558-R561 PolarHBondContact OE2-NH1 3.41Å; M559-R561 PolarHBondContact O-N 2.86Å; R561-K564 PolarHBondContact O-N 3.23Å; R561-L565 PolarHBondContact O-N 3.23Å
562R88.2Confident92.2Very high78 Ų7889.7 Ų89.729%0.29443%0.432SS..Hα-helixtrans-63.7-43.4177.2-175.257.6173.5163.8-0.9111.7F501 E558 M559 E560 L565 L566F501-R562 HydrophobicContact CD2-CG 4.34Å; F501-R562 HydrophobicContact CE1-CB 4.38Å; F501-R562 HydrophobicContact CE1-CG 4.22Å; F501-R562 HydrophobicContact CE2-CB 3.87Å; F501-R562 HydrophobicContact CE2-CG 4.04Å; F501-R562 HydrophobicContact CZ-CB 3.72Å; F501-R562 HydrophobicContact CZ-CG 3.97Å; E558-R562 WeakPolarHBondContact O-CB 3.29Å; E558-R562 PolarHBondContact O-N 2.86Å; M559-R562 PolarHBondContact O-N 2.8Å; E560-R562 VanDerWaalsContact C-N 3.34Å; E560-R562 PolarHBondContact O-N 3.06Å; R562-L565 VanDerWaalsContact NH1-CD2 3.28Å; R562-L565 PolarHBondContact O-N 2.82Å; R562-L566 HydrophobicContact CG-CD1 4.04Å; R562-L566 HydrophobicContact CG-CG 4.44Å; R562-L566 WeakPolarHBondContact O-CB 3.41Å; R562-L566 VanDerWaalsContact O-CG 3.29Å; R562-L566 WeakPolarHBondContact O-CG 3.45Å; R562-L566 PolarHBondContact O-N 3.24Å
563V91.8Very high92.2Very high89 Ų8990.2 Ų90.254%0.53944%0.435SS..Hα-helixtrans-61.5-44.1176.5169.30000111.3M559 E560 L566 T567M559-V563 VanDerWaalsContact O-CG2 3.27Å; M559-V563 WeakPolarHBondContact O-CG2 3.25Å; M559-V563 PolarHBondContact O-N 2.94Å; E560-V563 PolarHBondContact O-N 3.26Å; V563-L566 PolarHBondContact O-N 3.44Å; V563-T567 WeakPolarHBondContact O-CB 3.45Å; V563-T567 PolarHBondContact O-N 2.87Å; V563-T567 PolarHBondContact O-OG1 3.14Å
564K93.8Very high92.3Very high136 Ų13691.8 Ų91.859%0.59145%0.446SS*.Hα-helixtrans-60.1-47.5175.9-74.1170.3-175.6166.80111.3E560 R561 T567 S568E560-K564 WeakPolarHBondContact O-CG 3.49Å; E560-K564 PolarHBondContact O-N 2.93Å; R561-K564 PolarHBondContact O-N 3.23Å; K564-T567 PolarHBondContact O-N 3.25Å; K564-S568 PolarHBondContact O-N 3.43Å; K564-S568 PolarHBondContact O-OG 3.28Å
565L89.5Confident92.4Very high81 Ų8193.2 Ų93.242%0.42445%0.452SS..Hα-helixtrans-62.8-44.5179-176132.7000112.3R561 R562 T567 S568 Q569R561-L565 PolarHBondContact O-N 3.23Å; R562-L565 VanDerWaalsContact NH1-CD2 3.28Å; R562-L565 PolarHBondContact O-N 2.82Å; L565-T567 VanDerWaalsContact C-N 3.29Å; L565-T567 PolarHBondContact O-N 2.86Å; L565-S568 PolarHBondContact O-N 2.97Å; L565-Q569 HydrophobicContact CD2-CG 4.5Å; L565-Q569 WeakPolarHBondContact O-CG 3.31Å; L565-Q569 PolarHBondContact O-N 2.97Å
566L88.6Confident92.5Very high77 Ų7797.6 Ų97.640%0.40347%0.472SS..Hα-helixtrans-63.5-36.5176-72.2173.5000112R562 V563 Q569 K570R562-L566 HydrophobicContact CG-CD1 4.04Å; R562-L566 HydrophobicContact CG-CG 4.44Å; R562-L566 WeakPolarHBondContact O-CB 3.41Å; R562-L566 VanDerWaalsContact O-CG 3.29Å; R562-L566 WeakPolarHBondContact O-CG 3.45Å; R562-L566 PolarHBondContact O-N 3.24Å; V563-L566 PolarHBondContact O-N 3.44Å; L566-Q569 PolarHBondContact O-N 3.43Å; L566-K570 WeakPolarHBondContact O-CB 3.49Å; L566-K570 PolarHBondContact O-N 2.96Å
567T93.7Very high92.5Very high76 Ų7696.9 Ų96.947%0.46648%0.476SS..Hα-helixtrans-65.9-45.9176.4-56.40000110.9V563 K564 L565 Q569 K570 V571V563-T567 WeakPolarHBondContact O-CB 3.45Å; V563-T567 PolarHBondContact O-N 2.87Å; V563-T567 PolarHBondContact O-OG1 3.14Å; K564-T567 PolarHBondContact O-N 3.25Å; L565-T567 VanDerWaalsContact C-N 3.29Å; L565-T567 PolarHBondContact O-N 2.86Å; T567-Q569 PolarHBondContact O-N 3.26Å; T567-K570 WeakPolarHBondContact O-CB 3.48Å; T567-K570 PolarHBondContact O-N 3.17Å; T567-V571 WeakPolarHBondContact O-CG2 3.27Å; T567-V571 PolarHBondContact O-N 2.85Å
568S92.3Very high92.5Very high81 Ų8194.6 Ų94.657%0.56648%0.475SS*.Hα-helixtrans-62.1-41.7175.4-59.50000112.4K564 L565 V571 K572K564-S568 PolarHBondContact O-N 3.43Å; K564-S568 PolarHBondContact O-OG 3.28Å; L565-S568 PolarHBondContact O-N 2.97Å; S568-V571 PolarHBondContact O-N 3.24Å; S568-K572 PolarHBondContact O-N 3.33Å
569Q90.2Very high92.7Very high90 Ų9094.6 Ų94.642%0.42148%0.482SS..Hα-helixtrans-62.9-42.2175.2-75.4-179.4-15.200112L565 L566 T567 V571 K572 Q573L565-Q569 HydrophobicContact CD2-CG 4.5Å; L565-Q569 WeakPolarHBondContact O-CG 3.31Å; L565-Q569 PolarHBondContact O-N 2.97Å; L566-Q569 PolarHBondContact O-N 3.43Å; T567-Q569 PolarHBondContact O-N 3.26Å; Q569-V571 PolarHBondContact O-N 2.71Å; Q569-K572 PolarHBondContact O-N 2.75Å; Q569-Q573 WeakPolarHBondContact O-CB 3.33Å; Q569-Q573 VanDerWaalsContact O-CG 3.31Å; Q569-Q573 WeakPolarHBondContact O-CG 3.43Å; Q569-Q573 PolarHBondContact O-N 3.12Å
570K91.4Very high92.8Very high143 Ų14394 Ų9462%0.62249%0.485SS*.Hα-helixtrans-60.1-45.1175.9179.1-175.5175.1-176.50111.5L566 T567 Q573 V574L566-K570 WeakPolarHBondContact O-CB 3.49Å; L566-K570 PolarHBondContact O-N 2.96Å; T567-K570 WeakPolarHBondContact O-CB 3.48Å; T567-K570 PolarHBondContact O-N 3.17Å; K570-Q573 PolarHBondContact O-N 3.17Å; K570-V574 VanDerWaalsContact O-CG2 3.27Å; K570-V574 WeakPolarHBondContact O-CG2 3.01Å; K570-V574 PolarHBondContact O-N 2.58Å
571V95.6Very high92.8Very high75 Ų7597.7 Ų97.746%0.45550%0.495SS..Hα-helixtrans-60.3-49.6177.9172.30000110.3T567 S568 Q569 Q573 V574 E575T567-V571 WeakPolarHBondContact O-CG2 3.27Å; T567-V571 PolarHBondContact O-N 2.85Å; S568-V571 PolarHBondContact O-N 3.24Å; Q569-V571 PolarHBondContact O-N 2.71Å; V571-Q573 PolarHBondContact O-N 3.13Å; V571-V574 PolarHBondContact O-N 3.21Å; V571-V574 VanDerWaalsContact O-N 3.12Å; V571-E575 WeakPolarHBondContact O-CG 3.33Å; V571-E575 PolarHBondContact O-N 3.17Å
572K93.6Very high93Very high124 Ų12496.9 Ų96.954%0.53950%0.497SS..Hα-helixtrans-58.8-44.4177.9-168.4-173.8-175.8-152.60112.7S568 Q569 V574 E575 E576S568-K572 PolarHBondContact O-N 3.33Å; Q569-K572 PolarHBondContact O-N 2.75Å; K572-V574 VanDerWaalsContact C-N 3.3Å; K572-V574 PolarHBondContact O-N 2.78Å; K572-E575 WeakPolarHBondContact O-CB 3.22Å; K572-E575 PolarHBondContact O-N 3.22Å; K572-E576 WeakPolarHBondContact CE-OE1 3.39Å; K572-E576 HydrophobicContact CG-CG 4.49Å; K572-E576 IonicContact NZ-OE1 3.79Å; K572-E576 PolarHBondContact NZ-OE1 3.36Å; K572-E576 WeakPolarHBondContact O-CG 3.39Å; K572-E576 PolarHBondContact O-N 2.88Å
573Q91.8Very high93.3Very high111 Ų11198.3 Ų98.352%0.51951%0.507SS..Hα-helixtrans-63.2-36.3177.4-75.5177-9.200112.4Q569 K570 V571 L577Q569-Q573 WeakPolarHBondContact O-CB 3.33Å; Q569-Q573 VanDerWaalsContact O-CG 3.31Å; Q569-Q573 WeakPolarHBondContact O-CG 3.43Å; Q569-Q573 PolarHBondContact O-N 3.12Å; K570-Q573 PolarHBondContact O-N 3.17Å; V571-Q573 PolarHBondContact O-N 3.13Å; Q573-L577 VanDerWaalsContact O-CB 3.3Å; Q573-L577 WeakPolarHBondContact O-CB 3.28Å; Q573-L577 WeakPolarHBondContact O-CG 3.43Å; Q573-L577 PolarHBondContact O-N 3.05Å
574V95.4Very high93.4Very high88 Ų88102.1 Ų102.153%0.53351%0.512SS..Hα-helixtrans-67.7-39175.7170.60000111.1K570 V571 K572 A578K570-V574 VanDerWaalsContact O-CG2 3.27Å; K570-V574 WeakPolarHBondContact O-CG2 3.01Å; K570-V574 PolarHBondContact O-N 2.58Å; V571-V574 PolarHBondContact O-N 3.21Å; V571-V574 VanDerWaalsContact O-N 3.12Å; K572-V574 VanDerWaalsContact C-N 3.3Å; K572-V574 PolarHBondContact O-N 2.78Å; V574-A578 PolarHBondContact O-N 2.91Å
575E95.8Very high93.5Very high124 Ų124100.7 Ų100.758%0.57951%0.506SS*.Hα-helixtrans-65.9-46.8174.8-70171.4178.500112V571 K572 L577 A578 S579V571-E575 WeakPolarHBondContact O-CG 3.33Å; V571-E575 PolarHBondContact O-N 3.17Å; K572-E575 WeakPolarHBondContact O-CB 3.22Å; K572-E575 PolarHBondContact O-N 3.22Å; E575-L577 VanDerWaalsContact C-N 3.32Å; E575-L577 PolarHBondContact O-N 3.47Å; E575-A578 WeakPolarHBondContact O-CB 3.44Å; E575-A578 PolarHBondContact O-N 3.1Å; E575-A578 VanDerWaalsContact O-N 3.08Å; E575-S579 PolarHBondContact O-N 3.22Å
576E94.1Very high93.7Very high94 Ų9499.4 Ų99.444%0.43950%0.503SS..Hα-helixtrans-59.3-43.1175.3-73172.2-177.300110.9K572 A578 S579 C580K572-E576 WeakPolarHBondContact CE-OE1 3.39Å; K572-E576 HydrophobicContact CG-CG 4.49Å; K572-E576 IonicContact NZ-OE1 3.79Å; K572-E576 PolarHBondContact NZ-OE1 3.36Å; K572-E576 WeakPolarHBondContact O-CG 3.39Å; K572-E576 PolarHBondContact O-N 2.88Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.09Å; E576-S579 PolarHBondContact O-N 2.75Å; E576-C580 PolarHBondContact O-N 3.16Å; E576-C580 PolarHBondContact O-SG 2.96Å
577L94.1Very high94Very high101 Ų101101.4 Ų101.453%0.52951%0.514SS..Hα-helixtrans-62.6-35.7174.5-78.6171.3000112.8Q573 E575 R581Q573-L577 VanDerWaalsContact O-CB 3.3Å; Q573-L577 WeakPolarHBondContact O-CB 3.28Å; Q573-L577 WeakPolarHBondContact O-CG 3.43Å; Q573-L577 PolarHBondContact O-N 3.05Å; E575-L577 VanDerWaalsContact C-N 3.32Å; E575-L577 PolarHBondContact O-N 3.47Å; L577-R581 VanDerWaalsContact O-CG 3.25Å; L577-R581 WeakPolarHBondContact O-CG 3.43Å; L577-R581 PolarHBondContact O-N 2.91Å; L577-R581 VanDerWaalsContact O-N 3.11Å
578A95.2Very high93.9Very high55 Ų55101.1 Ų101.146%0.45551%0.512SS..Hα-helixtrans-67.8-43.6174.600000111.2V574 E575 E576 R581 E582V574-A578 PolarHBondContact O-N 2.91Å; E575-A578 WeakPolarHBondContact O-CB 3.44Å; E575-A578 PolarHBondContact O-N 3.1Å; E575-A578 VanDerWaalsContact O-N 3.08Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.09Å; A578-R581 WeakPolarHBondContact O-CB 3.47Å; A578-R581 PolarHBondContact O-N 2.85Å; A578-E582 PolarHBondContact O-N 3.41Å; A578-E582 VanDerWaalsContact O-N 3.08Å
579S94.9Very high94.1Very high60 Ų60101 Ų10142%0.4250%0.502SS..Hα-helixtrans-58.6-49.3174.7-1660000111.5E575 E576 R581 E582 E583E575-S579 PolarHBondContact O-N 3.22Å; E576-S579 PolarHBondContact O-N 2.75Å; S579-R581 VanDerWaalsContact C-N 3.25Å; S579-R581 PolarHBondContact O-N 2.69Å; S579-E582 PolarHBondContact O-N 3.04Å; S579-E583 PolarHBondContact O-N 3.44Å; S579-E583 PolarHBondContact OG-OE1 3.32Å
580C93.4Very high94.3Very high72 Ų7298.6 Ų98.649%0.48650%0.498SS..Hα-helixtrans-61.2-33.5177.6-70.80000112.8E576 R584E576-C580 PolarHBondContact O-N 3.16Å; E576-C580 PolarHBondContact O-SG 2.96Å; C580-R584 VanDerWaalsContact O-CB 3.25Å; C580-R584 WeakPolarHBondContact O-CB 3.46Å; C580-R584 PolarHBondContact O-N 3.23Å
581R94.1Very high94.4Very high166 Ų16694.6 Ų94.663%0.62649%0.491SS*.Hα-helixtrans-66.5-39.5174.7-77.3171.3-177.1-177.92.9111.8L577 A578 S579 K585L577-R581 VanDerWaalsContact O-CG 3.25Å; L577-R581 WeakPolarHBondContact O-CG 3.43Å; L577-R581 PolarHBondContact O-N 2.91Å; L577-R581 VanDerWaalsContact O-N 3.11Å; A578-R581 WeakPolarHBondContact O-CB 3.47Å; A578-R581 PolarHBondContact O-N 2.85Å; S579-R581 VanDerWaalsContact C-N 3.25Å; S579-R581 PolarHBondContact O-N 2.69Å; R581-K585 PolarHBondContact O-N 2.75Å
582E95.4Very high94.2Very high114 Ų11496.5 Ų96.553%0.53350%0.496SS..Hα-helixtrans-71.6-43.2177.8-166.259.6-154.400111.6A578 S579 R584 K585 S586A578-E582 PolarHBondContact O-N 3.41Å; A578-E582 VanDerWaalsContact O-N 3.08Å; S579-E582 PolarHBondContact O-N 3.04Å; E582-R584 VanDerWaalsContact C-N 3.32Å; E582-R584 PolarHBondContact O-N 3.23Å; E582-K585 WeakPolarHBondContact O-CB 3.48Å; E582-K585 PolarHBondContact O-N 3.36Å; E582-K585 VanDerWaalsContact O-N 3.08Å; E582-S586 PolarHBondContact O-N 2.82Å
583E94.4Very high94.3Very high107 Ų10797.3 Ų97.350%0.550%0.495SS..Hα-helixtrans-57.2-46.7172.7-75.4172.4-159.100111S579 K585 S586 L587S579-E583 PolarHBondContact O-N 3.44Å; S579-E583 PolarHBondContact OG-OE1 3.32Å; E583-K585 VanDerWaalsContact C-N 3.29Å; E583-K585 PolarHBondContact O-N 3.41Å; E583-S586 PolarHBondContact O-N 3.5Å; E583-S586 PolarHBondContact O-OG 3.19Å; E583-L587 WeakPolarHBondContact O-CB 3.33Å; E583-L587 WeakPolarHBondContact O-CG 3.46Å; E583-L587 PolarHBondContact O-N 3.18Å
584R94.3Very high94.4Very high169 Ų16997.8 Ų97.864%0.63850%0.5SS*.Hα-helixtrans-58.6-41.4175.3-175.4-175.166.1159.73.3111.8C580 E582 T588C580-R584 VanDerWaalsContact O-CB 3.25Å; C580-R584 WeakPolarHBondContact O-CB 3.46Å; C580-R584 PolarHBondContact O-N 3.23Å; E582-R584 VanDerWaalsContact C-N 3.32Å; E582-R584 PolarHBondContact O-N 3.23Å; R584-T588 WeakPolarHBondContact O-CB 3.24Å; R584-T588 PolarHBondContact O-N 3.42Å; R584-T588 PolarHBondContact O-OG1 3.4Å
585K95.1Very high94.3Very high107 Ų10796.1 Ų96.147%0.46550%0.496SS..Hα-helixtrans-63.9-48.4177.9-173.5-174.4170.8-1580110.8R581 E582 E583 L587 T588 E589R581-K585 PolarHBondContact O-N 2.75Å; E582-K585 WeakPolarHBondContact O-CB 3.48Å; E582-K585 PolarHBondContact O-N 3.36Å; E582-K585 VanDerWaalsContact O-N 3.08Å; E583-K585 VanDerWaalsContact C-N 3.29Å; E583-K585 PolarHBondContact O-N 3.41Å; K585-L587 VanDerWaalsContact C-N 3.35Å; K585-L587 PolarHBondContact O-N 3.09Å; K585-T588 WeakPolarHBondContact O-CB 3.45Å; K585-T588 PolarHBondContact O-N 3.38Å; K585-T588 VanDerWaalsContact O-N 3.13Å; K585-E589 VanDerWaalsContact CE-OE1 3.26Å; K585-E589 WeakPolarHBondContact CE-OE1 3.31Å; K585-E589 WeakPolarHBondContact O-CG 3.34Å; K585-E589 PolarHBondContact O-N 3.07Å
586S95.2Very high94.2Very high53 Ų5395.6 Ų95.637%0.37150%0.497SS..Hα-helixtrans-63.3-37.8178.372.50000113.2E582 E583 T588 E589 A590E582-S586 PolarHBondContact O-N 2.82Å; E583-S586 PolarHBondContact O-N 3.5Å; E583-S586 PolarHBondContact O-OG 3.19Å; S586-T588 VanDerWaalsContact C-N 3.35Å; S586-E589 PolarHBondContact O-N 3.44Å; S586-A590 VanDerWaalsContact O-CB 3.27Å; S586-A590 WeakPolarHBondContact O-CB 3.22Å; S586-A590 PolarHBondContact O-N 3.28Å
587L93.6Very high94.3Very high119 Ų11998.2 Ų98.262%0.62351%0.507SS*.Hα-helixtrans-63.7-40.7173.3-82165.6000111.6E583 K585 A590 A591E583-L587 WeakPolarHBondContact O-CB 3.33Å; E583-L587 WeakPolarHBondContact O-CG 3.46Å; E583-L587 PolarHBondContact O-N 3.18Å; K585-L587 VanDerWaalsContact C-N 3.35Å; K585-L587 PolarHBondContact O-N 3.09Å; L587-A590 PolarHBondContact O-N 2.98Å; L587-A591 WeakPolarHBondContact O-CB 3.4Å; L587-A591 PolarHBondContact O-N 2.83Å
588T93.2Very high94.3Very high70 Ų70100.8 Ų100.843%0.42951%0.511SS..Hα-helixtrans-64.5-47.8177.2-52.70000110.4R584 K585 S586 A590 A591 E592R584-T588 WeakPolarHBondContact O-CB 3.24Å; R584-T588 PolarHBondContact O-N 3.42Å; R584-T588 PolarHBondContact O-OG1 3.4Å; K585-T588 WeakPolarHBondContact O-CB 3.45Å; K585-T588 PolarHBondContact O-N 3.38Å; K585-T588 VanDerWaalsContact O-N 3.13Å; S586-T588 VanDerWaalsContact C-N 3.35Å; T588-A590 VanDerWaalsContact C-N 3.31Å; T588-A590 PolarHBondContact O-N 3.37Å; T588-A591 WeakPolarHBondContact O-CB 3.4Å; T588-A591 PolarHBondContact O-N 2.75Å; T588-E592 WeakPolarHBondContact O-CG 3.44Å; T588-E592 PolarHBondContact O-N 3.26Å
589E94.8Very high94.2Very high79 Ų79103.2 Ų103.237%0.36951%0.513SS..Hα-helixtrans-63.4-35.2176.1-68.5173-172.600112.6K585 S586 R593K585-E589 VanDerWaalsContact CE-OE1 3.26Å; K585-E589 WeakPolarHBondContact CE-OE1 3.31Å; K585-E589 WeakPolarHBondContact O-CG 3.34Å; K585-E589 PolarHBondContact O-N 3.07Å; S586-E589 PolarHBondContact O-N 3.44Å; E589-R593 WeakPolarHBondContact O-CB 3.18Å; E589-R593 WeakPolarHBondContact O-CG 3.45Å; E589-R593 PolarHBondContact O-N 2.73Å; E589-R593 PolarHBondContact O-NE 2.81Å
590A94.8Very high94.2Very high39 Ų39104.3 Ų104.332%0.32251%0.514SS..Hα-helixtrans-68.8-39.3174.900000111.8S586 L587 T588 R593 L594S586-A590 VanDerWaalsContact O-CB 3.27Å; S586-A590 WeakPolarHBondContact O-CB 3.22Å; S586-A590 PolarHBondContact O-N 3.28Å; L587-A590 PolarHBondContact O-N 2.98Å; T588-A590 VanDerWaalsContact C-N 3.31Å; T588-A590 PolarHBondContact O-N 3.37Å; A590-R593 PolarHBondContact O-N 3.39Å; A590-L594 WeakPolarHBondContact O-CB 3.19Å; A590-L594 PolarHBondContact O-N 2.92Å
591A92.9Very high94.2Very high59 Ų59103.2 Ų103.249%0.48851%0.51SS..Hα-helixtrans-64.4-42.3174.400000111.4L587 T588 L594 A595L587-A591 WeakPolarHBondContact O-CB 3.4Å; L587-A591 PolarHBondContact O-N 2.83Å; T588-A591 WeakPolarHBondContact O-CB 3.4Å; T588-A591 PolarHBondContact O-N 2.75Å; A591-L594 PolarHBondContact O-N 3.04Å; A591-A595 WeakPolarHBondContact O-CB 3.17Å; A591-A595 PolarHBondContact O-N 3.48Å
592E93.3Very high94.2Very high116 Ų11699.2 Ų99.254%0.54250%0.497SS..Hα-helixtrans-60-50.6173.5-73174.217800111.3T588 L594 A595 D596T588-E592 WeakPolarHBondContact O-CG 3.44Å; T588-E592 PolarHBondContact O-N 3.26Å; E592-L594 PolarHBondContact O-N 3.15Å; E592-A595 WeakPolarHBondContact O-CB 3.34Å; E592-A595 PolarHBondContact O-N 3.05Å; E592-A595 VanDerWaalsContact O-N 3.11Å; E592-D596 PolarHBondContact O-N 3.49Å
593R94.4Very high94.2Very high140 Ų140101.9 Ų101.953%0.52850%0.504SS..Hα-helixtrans-58.8-34.7175.7-77.9-178.8-86.7118.8-8.7113.2E589 A590 K597E589-R593 WeakPolarHBondContact O-CB 3.18Å; E589-R593 WeakPolarHBondContact O-CG 3.45Å; E589-R593 PolarHBondContact O-N 2.73Å; E589-R593 PolarHBondContact O-NE 2.81Å; A590-R593 PolarHBondContact O-N 3.39Å; R593-K597 WeakPolarHBondContact O-CG 3.39Å; R593-K597 PolarHBondContact O-N 3.1Å
594L94.6Very high94.2Very high121 Ų121103.5 Ų103.563%0.63451%0.505SS*.Hα-helixtrans-73.2-40.1177.4-173.566.6000111.2A590 A591 E592 K597 Y598A590-L594 WeakPolarHBondContact O-CB 3.19Å; A590-L594 PolarHBondContact O-N 2.92Å; A591-L594 PolarHBondContact O-N 3.04Å; E592-L594 PolarHBondContact O-N 3.15Å; L594-K597 PolarHBondContact O-N 3.5Å; L594-Y598 WeakPolarHBondContact O-CB 3.44Å; L594-Y598 PolarHBondContact O-N 3.41Å
595A92.9Very high94.2Very high53 Ų53102 Ų10244%0.43851%0.505SS..Hα-helixtrans-60.4-44.8174.900000111.1A591 E592 K597 Y598 E599A591-A595 WeakPolarHBondContact O-CB 3.17Å; A591-A595 PolarHBondContact O-N 3.48Å; E592-A595 WeakPolarHBondContact O-CB 3.34Å; E592-A595 PolarHBondContact O-N 3.05Å; E592-A595 VanDerWaalsContact O-N 3.11Å; A595-K597 PolarHBondContact O-N 2.86Å; A595-Y598 WeakPolarHBondContact O-CB 3.3Å; A595-Y598 PolarHBondContact O-N 2.86Å; A595-E599 PolarHBondContact O-N 2.99Å
596D94.1Very high94.1Very high114 Ų114101.5 Ų101.561%0.6151%0.505SS*.Hα-helixtrans-59.3-48.9175.5-71-19000111.6E592 Y598 E599 D600E592-D596 PolarHBondContact O-N 3.49Å; D596-Y598 VanDerWaalsContact C-N 3.27Å; D596-Y598 PolarHBondContact O-N 2.81Å; D596-E599 PolarHBondContact O-N 2.89Å; D596-D600 WeakPolarHBondContact O-CB 3.33Å; D596-D600 PolarHBondContact O-N 2.72Å
597K95.2Very high94.1Very high148 Ų148100.9 Ų100.964%0.64350%0.503SS*.Hα-helixtrans-61.2-36.3177.1-76.2179-177.8-178.10112.6R593 L594 A595 D600 A601R593-K597 WeakPolarHBondContact O-CG 3.39Å; R593-K597 PolarHBondContact O-N 3.1Å; L594-K597 PolarHBondContact O-N 3.5Å; A595-K597 PolarHBondContact O-N 2.86Å; K597-D600 WeakPolarHBondContact O-CB 3.24Å; K597-A601 VanDerWaalsContact O-CB 3.31Å; K597-A601 WeakPolarHBondContact O-CB 3.45Å; K597-A601 PolarHBondContact O-N 3.31Å
598Y94.3Very high94.1Very high155 Ų15599.8 Ų99.861%0.60850%0.497SS*.Hα-helixtrans-66.5-47.3178.4179.2-93.3000111.1L594 A595 D596 D600 A601 K602L594-Y598 WeakPolarHBondContact O-CB 3.44Å; L594-Y598 PolarHBondContact O-N 3.41Å; A595-Y598 WeakPolarHBondContact O-CB 3.3Å; A595-Y598 PolarHBondContact O-N 2.86Å; D596-Y598 VanDerWaalsContact C-N 3.27Å; D596-Y598 PolarHBondContact O-N 2.81Å; Y598-D600 VanDerWaalsContact C-N 3.32Å; Y598-D600 PolarHBondContact O-N 2.91Å; Y598-A601 PolarHBondContact O-N 2.74Å; Y598-K602 HydrophobicContact CE1-CD 4.43Å; Y598-K602 VanDerWaalsContact O-CB 3.31Å; Y598-K602 WeakPolarHBondContact O-CB 3.38Å; Y598-K602 PolarHBondContact O-N 2.77Å
599E93.8Very high94Very high107 Ų107103 Ų10350%0.551%0.509SS..Hα-helixtrans-61.1-41.9175.2-72.6-61.6160.200111.5A595 D596 A601 K602 Y603A595-E599 PolarHBondContact O-N 2.99Å; D596-E599 PolarHBondContact O-N 2.89Å; E599-A601 PolarHBondContact O-N 2.73Å; E599-K602 PolarHBondContact O-N 3.45Å; E599-K602 IonicContact OE2-NZ 2.68Å; E599-Y603 WeakPolarHBondContact O-CB 3.12Å; E599-Y603 PolarHBondContact O-N 2.91Å
600D94.7Very high93.9Very high82 Ų82103.6 Ų103.644%0.43952%0.515SS..Hα-helixtrans-58.2-47.3173.6-111.626.3000112.8D596 K597 Y598 Y603 R604D596-D600 WeakPolarHBondContact O-CB 3.33Å; D596-D600 PolarHBondContact O-N 2.72Å; K597-D600 WeakPolarHBondContact O-CB 3.24Å; Y598-D600 VanDerWaalsContact C-N 3.32Å; Y598-D600 PolarHBondContact O-N 2.91Å; D600-Y603 PolarHBondContact O-N 2.84Å; D600-R604 WeakPolarHBondContact O-CG 3.4Å; D600-R604 PolarHBondContact O-N 2.83Å; D600-R604 IonicContact OD2-CZ 2.52Å; D600-R604 IonicContact OD2-NH1 3.83Å; D600-R604 IonicContact OD2-NH2 3.51Å; D600-R604 PolarHBondContact OD2-NH2 2.98Å
601A94Very high93.8Very high49 Ų49109.8 Ų109.841%0.40553%0.53SS..Hα-helixtrans-66.1-42.4179.400000111.2K597 Y598 E599 R604 Q605K597-A601 VanDerWaalsContact O-CB 3.31Å; K597-A601 WeakPolarHBondContact O-CB 3.45Å; K597-A601 PolarHBondContact O-N 3.31Å; Y598-A601 PolarHBondContact O-N 2.74Å; E599-A601 PolarHBondContact O-N 2.73Å; A601-R604 PolarHBondContact O-N 3.04Å; A601-Q605 WeakPolarHBondContact O-CB 3.45Å; A601-Q605 PolarHBondContact O-N 2.69Å
602K94.3Very high93.7Very high83 Ų83111 Ų11136%0.36153%0.531SS..Hα-helixtrans-59.6-47.3175-179.1-176.1170.4-1640111.1Y598 E599 R604 Q605 E606Y598-K602 HydrophobicContact CE1-CD 4.43Å; Y598-K602 VanDerWaalsContact O-CB 3.31Å; Y598-K602 WeakPolarHBondContact O-CB 3.38Å; Y598-K602 PolarHBondContact O-N 2.77Å; E599-K602 PolarHBondContact O-N 3.45Å; E599-K602 IonicContact OE2-NZ 2.68Å; K602-R604 PolarHBondContact O-N 2.9Å; K602-Q605 PolarHBondContact O-N 2.85Å; K602-E606 WeakPolarHBondContact O-CG 3.44Å; K602-E606 PolarHBondContact O-N 2.92Å
603Y95.1Very high93.5Very high169 Ų169111.9 Ų111.966%0.66353%0.533SS*.Hα-helixtrans-60.2-44.6176-178.2-99.2000112.2E599 D600 Q605 E606 A607E599-Y603 WeakPolarHBondContact O-CB 3.12Å; E599-Y603 PolarHBondContact O-N 2.91Å; D600-Y603 PolarHBondContact O-N 2.84Å; Y603-Q605 PolarHBondContact O-N 2.95Å; Y603-E606 PolarHBondContact O-N 3.45Å; Y603-A607 WeakPolarHBondContact O-CB 3.17Å; Y603-A607 PolarHBondContact O-N 2.9Å
604R94.8Very high93.2Very high142 Ų142112.7 Ų112.754%0.53654%0.54SS..Hα-helixtrans-63.4-41.1175.9-71.5-176.7-164.4103.510.7112.1D600 A601 K602 A607 L608D600-R604 WeakPolarHBondContact O-CG 3.4Å; D600-R604 PolarHBondContact O-N 2.83Å; D600-R604 IonicContact OD2-CZ 2.52Å; D600-R604 IonicContact OD2-NH1 3.83Å; D600-R604 IonicContact OD2-NH2 3.51Å; D600-R604 PolarHBondContact OD2-NH2 2.98Å; A601-R604 PolarHBondContact O-N 3.04Å; K602-R604 PolarHBondContact O-N 2.9Å; R604-A607 PolarHBondContact O-N 2.91Å; R604-L608 WeakPolarHBondContact O-CB 3.33Å; R604-L608 WeakPolarHBondContact O-CG 3.22Å; R604-L608 PolarHBondContact O-N 3.24Å
605Q93.6Very high92.9Very high136 Ų136111.5 Ų111.564%0.63654%0.538SS*.Hα-helixtrans-62.6-46.3176.4180177.8-15.600111A601 K602 Y603 A607 L608 M609A601-Q605 WeakPolarHBondContact O-CB 3.45Å; A601-Q605 PolarHBondContact O-N 2.69Å; K602-Q605 PolarHBondContact O-N 2.85Å; Y603-Q605 PolarHBondContact O-N 2.95Å; Q605-A607 VanDerWaalsContact C-N 3.33Å; Q605-A607 PolarHBondContact O-N 3.47Å; Q605-L608 PolarHBondContact O-N 2.89Å; Q605-M609 VanDerWaalsContact O-CB 3.28Å; Q605-M609 WeakPolarHBondContact O-CB 3.33Å; Q605-M609 PolarHBondContact O-N 2.85Å
606E93.6Very high92.4Very high98 Ų98113.8 Ų113.846%0.45854%0.542SS..Hα-helixtrans-60.1-42.9175.6-74.2176.9-172.200111.5K602 Y603 M609 N610K602-E606 WeakPolarHBondContact O-CG 3.44Å; K602-E606 PolarHBondContact O-N 2.92Å; Y603-E606 PolarHBondContact O-N 3.45Å; E606-M609 PolarHBondContact O-N 3.23Å; E606-N610 WeakPolarHBondContact O-CB 3.08Å; E606-N610 VanDerWaalsContact O-CG 3.3Å; E606-N610 PolarHBondContact O-N 3.38Å; E606-N610 PolarHBondContact O-ND2 3.35Å; E606-N610 VanDerWaalsContact O-ND2 3.12Å
607A93.8Very high91.7Very high40 Ų40111.6 Ų111.633%0.33154%0.535SS..Hα-helixtrans-63.6-43.8176.200000112.6Y603 R604 Q605 N610 R611Y603-A607 WeakPolarHBondContact O-CB 3.17Å; Y603-A607 PolarHBondContact O-N 2.9Å; R604-A607 PolarHBondContact O-N 2.91Å; Q605-A607 VanDerWaalsContact C-N 3.33Å; Q605-A607 PolarHBondContact O-N 3.47Å; A607-N610 PolarHBondContact O-N 3.07Å; A607-R611 WeakPolarHBondContact O-CG 3.48Å; A607-R611 PolarHBondContact O-N 3.07Å
608L93.7Very high90.9Very high95 Ų95107.2 Ų107.250%0.49752%0.523SS..Hα-helixtrans-64.6-44.2175.2-78.7169.5000111.5R604 Q605 N610 R611 V612R604-L608 WeakPolarHBondContact O-CB 3.33Å; R604-L608 WeakPolarHBondContact O-CG 3.22Å; R604-L608 PolarHBondContact O-N 3.24Å; Q605-L608 PolarHBondContact O-N 2.89Å; L608-N610 VanDerWaalsContact C-N 3.28Å; L608-N610 PolarHBondContact O-N 2.84Å; L608-R611 WeakPolarHBondContact O-CB 3.43Å; L608-R611 PolarHBondContact O-N 2.94Å; L608-V612 WeakPolarHBondContact O-CG2 3.5Å; L608-V612 PolarHBondContact O-N 3.12Å
609M92.7Very high90.2Very high137 Ų137105.3 Ų105.368%0.67552%0.523SS*.Hα-helixtrans-60.2-40.5177.1-168.1175.3-174.600111Q605 E606 V612 K613Q605-M609 VanDerWaalsContact O-CB 3.28Å; Q605-M609 WeakPolarHBondContact O-CB 3.33Å; Q605-M609 PolarHBondContact O-N 2.85Å; E606-M609 PolarHBondContact O-N 3.23Å; M609-V612 PolarHBondContact O-N 3.34Å; M609-K613 VanDerWaalsContact O-CB 3.28Å; M609-K613 WeakPolarHBondContact O-CB 3.38Å; M609-K613 PolarHBondContact O-N 2.87Å
610N91.6Very high89Confident93 Ų93104.7 Ų104.750%0.49752%0.52SS..Hα-helixtrans-64.6-38.2173.2-77.3-36.4000112.8E606 A607 L608 K614E606-N610 WeakPolarHBondContact O-CB 3.08Å; E606-N610 VanDerWaalsContact O-CG 3.3Å; E606-N610 PolarHBondContact O-N 3.38Å; E606-N610 PolarHBondContact O-ND2 3.35Å; E606-N610 VanDerWaalsContact O-ND2 3.12Å; A607-N610 PolarHBondContact O-N 3.07Å; L608-N610 VanDerWaalsContact C-N 3.28Å; L608-N610 PolarHBondContact O-N 2.84Å; N610-K614 WeakPolarHBondContact O-CG 3.42Å; N610-K614 PolarHBondContact O-N 3.37Å
611R92.8Very high87.8Confident168 Ų168105.3 Ų105.363%0.63453%0.53SS*.Hα-helixtrans-66.7-46.1174.7-72.5172.364.5-167.6-0.1111.7A607 L608 K613 K614 V615A607-R611 WeakPolarHBondContact O-CG 3.48Å; A607-R611 PolarHBondContact O-N 3.07Å; L608-R611 WeakPolarHBondContact O-CB 3.43Å; L608-R611 PolarHBondContact O-N 2.94Å; R611-K613 VanDerWaalsContact C-N 3.32Å; R611-K613 PolarHBondContact O-N 3.47Å; R611-K614 WeakPolarHBondContact O-CB 3.35Å; R611-K614 PolarHBondContact O-N 2.87Å; R611-K614 VanDerWaalsContact O-N 3.17Å; R611-V615 WeakPolarHBondContact O-CG2 3.41Å; R611-V615 PolarHBondContact O-N 3.47Å
612V91.6Very high86.6Confident84 Ų84110.6 Ų110.651%0.50955%0.547SS..Hα-helixtrans-59.5-45.3175.5170.90000110.2L608 M609 K614 V615 L616L608-V612 WeakPolarHBondContact O-CG2 3.5Å; L608-V612 PolarHBondContact O-N 3.12Å; M609-V612 PolarHBondContact O-N 3.34Å; V612-K614 VanDerWaalsContact C-N 3.32Å; V612-K614 PolarHBondContact O-N 3.44Å; V612-V615 PolarHBondContact O-N 3.21Å; V612-L616 HydrophobicContact CG1-CD1 3.77Å; V612-L616 HydrophobicContact CG1-CG 4.25Å; V612-L616 WeakPolarHBondContact O-CB 3.47Å; V612-L616 WeakPolarHBondContact O-CG 3.46Å; V612-L616 PolarHBondContact O-N 3.03Å
613K88.8Confident85.3Confident136 Ų136112.1 Ų112.159%0.59156%0.558SS**Hα-helixtrans-56.6-44.8174.6-172.3176.6179.8178.30111.7M609 R611 L616 C617M609-K613 VanDerWaalsContact O-CB 3.28Å; M609-K613 WeakPolarHBondContact O-CB 3.38Å; M609-K613 PolarHBondContact O-N 2.87Å; R611-K613 VanDerWaalsContact C-N 3.32Å; R611-K613 PolarHBondContact O-N 3.47Å; K613-L616 PolarHBondContact O-N 3.47Å; K613-C617 WeakPolarHBondContact O-CB 3.48Å; K613-C617 PolarHBondContact O-N 3.06Å; K613-C617 PolarHBondContact O-SG 3.34Å
614K88Confident83.7Confident157 Ų157110.1 Ų110.168%0.68357%0.566SS**Hα-helixtrans-61.9-44.1175.7-74.7177.1-178.8-177.20112.5N610 R611 V612 C617 S618N610-K614 WeakPolarHBondContact O-CG 3.42Å; N610-K614 PolarHBondContact O-N 3.37Å; R611-K614 WeakPolarHBondContact O-CB 3.35Å; R611-K614 PolarHBondContact O-N 2.87Å; R611-K614 VanDerWaalsContact O-N 3.17Å; V612-K614 VanDerWaalsContact C-N 3.32Å; V612-K614 PolarHBondContact O-N 3.44Å; K614-C617 PolarHBondContact O-N 3.21Å; K614-S618 WeakPolarHBondContact O-CB 3.36Å; K614-S618 PolarHBondContact O-N 3.18Å
615V88.3Confident82.3Confident95 Ų95110 Ų11058%0.57658%0.575SS**Hα-helixtrans-64.7-47.2178.2174.30000110.8R611 V612 C617 S618 L619R611-V615 WeakPolarHBondContact O-CG2 3.41Å; R611-V615 PolarHBondContact O-N 3.47Å; V612-V615 PolarHBondContact O-N 3.21Å; V615-C617 PolarHBondContact O-N 2.8Å; V615-S618 WeakPolarHBondContact CA-OG 3.34Å; V615-S618 PolarHBondContact O-N 3.31Å; V615-S618 VanDerWaalsContact O-N 3.1Å; V615-S618 PolarHBondContact O-OG 2.91Å; V615-L619 PolarHBondContact O-N 2.93Å
616L82.9Confident80.8Confident101 Ų101107.9 Ų107.953%0.52957%0.567SS.*Hα-helixtrans-58.9-47175.4-75.3171.1000111.4V612 K613 S618 L619 Q620V612-L616 HydrophobicContact CG1-CD1 3.77Å; V612-L616 HydrophobicContact CG1-CG 4.25Å; V612-L616 WeakPolarHBondContact O-CB 3.47Å; V612-L616 WeakPolarHBondContact O-CG 3.46Å; V612-L616 PolarHBondContact O-N 3.03Å; K613-L616 PolarHBondContact O-N 3.47Å; L616-S618 VanDerWaalsContact C-N 3.28Å; L616-S618 PolarHBondContact O-N 2.54Å; L616-L619 PolarHBondContact O-N 3.01Å; L616-Q620 VanDerWaalsContact O-CB 3.24Å; L616-Q620 WeakPolarHBondContact O-CB 3.34Å; L616-Q620 PolarHBondContact O-N 3.34Å
617C78.1Confident79.7Confident68 Ų68105.6 Ų105.646%0.45956%0.562SS.*Hα-helixtrans-58.9-39174-71.70000112.1K613 K614 V615 S621K613-C617 WeakPolarHBondContact O-CB 3.48Å; K613-C617 PolarHBondContact O-N 3.06Å; K613-C617 PolarHBondContact O-SG 3.34Å; K614-C617 PolarHBondContact O-N 3.21Å; V615-C617 PolarHBondContact O-N 2.8Å; C617-S621 VanDerWaalsContact O-CB 3.32Å; C617-S621 WeakPolarHBondContact O-CB 3.09Å; C617-S621 PolarHBondContact O-N 2.91Å; C617-S621 PolarHBondContact O-OG 2.88Å
618S79.7Confident78.7Confident57 Ų57108 Ų10840%0.39958%0.577SS.*Hα-helixtrans-68.1-41.117875.20000112.7K614 V615 L616 S621 Q622K614-S618 WeakPolarHBondContact O-CB 3.36Å; K614-S618 PolarHBondContact O-N 3.18Å; V615-S618 WeakPolarHBondContact CA-OG 3.34Å; V615-S618 PolarHBondContact O-N 3.31Å; V615-S618 VanDerWaalsContact O-N 3.1Å; V615-S618 PolarHBondContact O-OG 2.91Å; L616-S618 VanDerWaalsContact C-N 3.28Å; L616-S618 PolarHBondContact O-N 2.54Å; S618-S621 WeakPolarHBondContact CA-OG 3.27Å; S618-S621 PolarHBondContact O-N 3.19Å; S618-S621 PolarHBondContact O-OG 2.98Å; S618-Q622 PolarHBondContact O-N 3.09Å
619L77.9Confident77.6Confident114 Ų114107.2 Ų107.260%0.59758%0.579SS**Hα-helixtrans-64.9-44.8176-167.184.8000110.6V615 L616 S621 Q622V615-L619 PolarHBondContact O-N 2.93Å; L616-L619 PolarHBondContact O-N 3.01Å; L619-S621 VanDerWaalsContact C-N 3.3Å; L619-S621 PolarHBondContact O-N 3.38Å; L619-Q622 PolarHBondContact O-N 2.85Å
620Q70.1Confident76.6Confident94 Ų94102.3 Ų102.344%0.43955%0.554SS.*Hα-helixtrans-65.2-33.9178.2-162.916711.900111.8L616 Q622 L623 E630L616-Q620 VanDerWaalsContact O-CB 3.24Å; L616-Q620 WeakPolarHBondContact O-CB 3.34Å; L616-Q620 PolarHBondContact O-N 3.34Å; Q620-Q622 PolarHBondContact O-N 3.41Å; Q620-L623 PolarHBondContact O-N 2.94Å; Q620-E630 WeakPolarHBondContact CG-OE1 3.46Å; Q620-E630 PolarHBondContact NE2-OE1 2.82Å
621S69Low75.9Confident95 Ų95103.5 Ų103.566%0.66456%0.555SS**Hα-helixtrans-69.7-15.7175.871.90000114.9C617 S618 L619C617-S621 VanDerWaalsContact O-CB 3.32Å; C617-S621 WeakPolarHBondContact O-CB 3.09Å; C617-S621 PolarHBondContact O-N 2.91Å; C617-S621 PolarHBondContact O-OG 2.88Å; S618-S621 WeakPolarHBondContact CA-OG 3.27Å; S618-S621 PolarHBondContact O-N 3.19Å; S618-S621 PolarHBondContact O-OG 2.98Å; L619-S621 VanDerWaalsContact C-N 3.3Å; L619-S621 PolarHBondContact O-N 3.38Å
622Q68.5Low75.4Confident160 Ų16099.3 Ų99.375%0.74855%0.545SS*.THydrogen-bonded Turntrans-88.2-8.2176.3-68.9-171.45.400113.4S618 L619 Q620 P624S618-Q622 PolarHBondContact O-N 3.09Å; L619-Q622 PolarHBondContact O-N 2.85Å; Q620-Q622 PolarHBondContact O-N 3.41Å; Q622-P624 WeakPolarHBondContact O-CD 3.39Å
623L67.3Low74.8Confident115 Ų115100.4 Ų100.460%0.60255%0.546SS*.  trans-81117.1174.2-69.3167000109.3Q620 I625Q620-L623 PolarHBondContact O-N 2.94Å; L623-I625 PolarHBondContact O-N 3.42Å; L623-I625 VanDerWaalsContact O-N 3.15Å
624P60.8Low74.5Confident127 Ų127101 Ų10183%0.82554%0.544SS*.SBendtrans-76.83.4-175.829.2-32.7000113.8Q622Q622-P624 WeakPolarHBondContact O-CD 3.39Å
625I65.4Low74.2Confident140 Ų14099.7 Ų99.772%0.71854%0.539SS*.SBendtrans-125.8115.8-176-49.8173.7000108.7L623 S627L623-I625 PolarHBondContact O-N 3.42Å; L623-I625 VanDerWaalsContact O-N 3.15Å; I625-S627 PolarHBondContact O-N 2.87Å
626L62.6Low74Confident92 Ų92101.4 Ų101.448%0.48254%0.541SS..  trans-68.6119.5173.7-70.5166.3000110.2E630 K631L626-E630 VanDerWaalsContact CA-OE2 3.23Å; L626-E630 WeakPolarHBondContact CA-OE2 3.22Å; L626-E630 HydrophobicContact CD2-CB 4.31Å; L626-K631 HydrophobicContact CB-CG 4.22Å
627S70.8Confident74.1Confident50 Ų50101.7 Ų101.735%0.3554%0.542SS..  trans-61155.6173.3176.70000111.2I625 S629 E630 K631I625-S627 PolarHBondContact O-N 2.87Å; S627-S629 PolarHBondContact O-N 2.85Å; S627-S629 PolarHBondContact OG-N 2.97Å; S627-S629 PolarHBondContact OG-OG 3.05Å; S627-E630 PolarHBondContact N-OE2 3.48Å; S627-E630 PolarHBondContact O-N 2.81Å; S627-K631 PolarHBondContact O-N 2.82Å
628S71.2Confident74.4Confident91 Ų91103.6 Ų103.664%0.63654%0.544SS*.Hα-helixtrans-55.4-4217150.30000111.4E630 K631 D632S628-E630 VanDerWaalsContact C-N 3.31Å; S628-E630 PolarHBondContact O-N 2.86Å; S628-K631 PolarHBondContact O-N 2.86Å; S628-D632 PolarHBondContact O-N 2.98Å
629S72.1Confident74.8Confident77 Ų77103.4 Ų103.454%0.53854%0.543SS..Hα-helixtrans-62.7-32.3174.554.30000113.6S627 M633S627-S629 PolarHBondContact O-N 2.85Å; S627-S629 PolarHBondContact OG-N 2.97Å; S627-S629 PolarHBondContact OG-OG 3.05Å; S629-M633 VanDerWaalsContact O-CB 3.23Å; S629-M633 WeakPolarHBondContact O-CB 3.43Å; S629-M633 PolarHBondContact O-N 3.09Å
630E72Confident75.2Confident35 Ų35101.2 Ų101.216%0.16453%0.534CS..Hα-helixtrans-76.8-34.2176.4-72172.2166.100112.3Q620 L626 S627 S628 D632 R634Q620-E630 WeakPolarHBondContact CG-OE1 3.46Å; Q620-E630 PolarHBondContact NE2-OE1 2.82Å; L626-E630 VanDerWaalsContact CA-OE2 3.23Å; L626-E630 WeakPolarHBondContact CA-OE2 3.22Å; L626-E630 HydrophobicContact CD2-CB 4.31Å; S627-E630 PolarHBondContact N-OE2 3.48Å; S627-E630 PolarHBondContact O-N 2.81Å; S628-E630 VanDerWaalsContact C-N 3.31Å; S628-E630 PolarHBondContact O-N 2.86Å; E630-D632 VanDerWaalsContact C-N 3.33Å; E630-R634 VanDerWaalsContact O-CB 3.27Å; E630-R634 WeakPolarHBondContact O-CB 3.43Å; E630-R634 PolarHBondContact O-N 3.02Å
631K76.8Confident76Confident118 Ų11898 Ų9851%0.51353%0.526SS..Hα-helixtrans-65.5-39.3172.4-69.8177.2-175.1174.10111L626 S627 S628 R634 K635L626-K631 HydrophobicContact CB-CG 4.22Å; S627-K631 PolarHBondContact O-N 2.82Å; S628-K631 PolarHBondContact O-N 2.86Å; K631-R634 PolarHBondContact O-N 2.84Å; K631-K635 WeakPolarHBondContact O-CG 3.18Å; K631-K635 PolarHBondContact O-N 2.97Å; K631-K635 VanDerWaalsContact O-N 3.13Å
632D80.7Confident76.9Confident80 Ų8098 Ų9843%0.42852%0.518SS..Hα-helixtrans-71.6-43.3175.1-67.3-26.4000111.4S628 E630 R634 K635 E636S628-D632 PolarHBondContact O-N 2.98Å; E630-D632 VanDerWaalsContact C-N 3.33Å; D632-R634 PolarHBondContact O-N 2.82Å; D632-K635 WeakPolarHBondContact O-CB 3.38Å; D632-K635 PolarHBondContact O-N 2.8Å; D632-K635 VanDerWaalsContact O-N 3.08Å; D632-K635 IonicContact OD1-NZ 3.06Å; D632-K635 PolarHBondContact OD1-NZ 2.84Å; D632-E636 PolarHBondContact O-N 2.92Å
633M80.3Confident77.8Confident106 Ų10696.6 Ų96.652%0.52251%0.51SS..Hα-helixtrans-59.7-33.2171.7-175.2172.7179.200112.4S629 E636 L637S629-M633 VanDerWaalsContact O-CB 3.23Å; S629-M633 WeakPolarHBondContact O-CB 3.43Å; S629-M633 PolarHBondContact O-N 3.09Å; M633-E636 PolarHBondContact O-N 2.82Å; M633-L637 HydrophobicContact CE-CD1 4.18Å; M633-L637 HydrophobicContact CG-CD1 4.06Å; M633-L637 VanDerWaalsContact O-CB 3.26Å; M633-L637 WeakPolarHBondContact O-CB 3.37Å; M633-L637 WeakPolarHBondContact O-CG 3.46Å; M633-L637 PolarHBondContact O-N 2.88Å
634R81Confident78.8Confident148 Ų14896 Ų9656%0.55851%0.506SS*.Hα-helixtrans-68.1-41.5173.8-180177.8176.3169.10.6112E630 K631 D632 E636 L637 Q638E630-R634 VanDerWaalsContact O-CB 3.27Å; E630-R634 WeakPolarHBondContact O-CB 3.43Å; E630-R634 PolarHBondContact O-N 3.02Å; K631-R634 PolarHBondContact O-N 2.84Å; D632-R634 PolarHBondContact O-N 2.82Å; R634-E636 VanDerWaalsContact C-N 3.33Å; R634-L637 PolarHBondContact O-N 2.8Å; R634-Q638 WeakPolarHBondContact O-CB 3.4Å; R634-Q638 WeakPolarHBondContact O-CG 3.31Å; R634-Q638 PolarHBondContact O-N 3.47Å
635K83.2Confident80.1Confident130 Ų13096.2 Ų96.257%0.56550%0.495SS*.Hα-helixtrans-63.8-41.7173.3-68.4170.4-171.2160.90110.6K631 D632 Q638 S639K631-K635 WeakPolarHBondContact O-CG 3.18Å; K631-K635 PolarHBondContact O-N 2.97Å; K631-K635 VanDerWaalsContact O-N 3.13Å; D632-K635 WeakPolarHBondContact O-CB 3.38Å; D632-K635 PolarHBondContact O-N 2.8Å; D632-K635 VanDerWaalsContact O-N 3.08Å; D632-K635 IonicContact OD1-NZ 3.06Å; D632-K635 PolarHBondContact OD1-NZ 2.84Å; K635-Q638 PolarHBondContact O-N 3.19Å; K635-S639 WeakPolarHBondContact O-CB 3.32Å; K635-S639 PolarHBondContact O-N 2.74Å
636E84.1Confident81.2Confident132 Ų13295.5 Ų95.562%0.61749%0.488SS*.Hα-helixtrans-63.3-45.2173.5-72.6-172172.500111.8D632 M633 R634 Q638 S639 V640D632-E636 PolarHBondContact O-N 2.92Å; M633-E636 PolarHBondContact O-N 2.82Å; R634-E636 VanDerWaalsContact C-N 3.33Å; E636-Q638 VanDerWaalsContact C-N 3.32Å; E636-Q638 PolarHBondContact O-N 3.32Å; E636-S639 CarbonylContact O-C 3.59Å; E636-S639 WeakPolarHBondContact O-CB 3.27Å; E636-S639 PolarHBondContact O-N 3.43Å; E636-V640 VanDerWaalsContact O-CB 3.32Å; E636-V640 WeakPolarHBondContact O-CB 3.39Å; E636-V640 WeakPolarHBondContact O-CG2 3.36Å; E636-V640 PolarHBondContact O-N 2.86Å
637L83.8Confident82.4Confident107 Ų10795.8 Ų95.856%0.5649%0.489SS*.Hα-helixtrans-62.5-36.1175.9-92.2158.8000112.5M633 R634 G641M633-L637 HydrophobicContact CE-CD1 4.18Å; M633-L637 HydrophobicContact CG-CD1 4.06Å; M633-L637 VanDerWaalsContact O-CB 3.26Å; M633-L637 WeakPolarHBondContact O-CB 3.37Å; M633-L637 WeakPolarHBondContact O-CG 3.46Å; M633-L637 PolarHBondContact O-N 2.88Å; R634-L637 PolarHBondContact O-N 2.8Å; L637-G641 WeakPolarHBondContact O-CA 3.39Å; L637-G641 PolarHBondContact O-N 3.43Å
638Q85.9Confident83.4Confident107 Ų10797 Ų9750%0.549%0.492SS..Hα-helixtrans-67.4-46.8172.5-78.7177.6-1900111R634 K635 E636 V640 G641 D642R634-Q638 WeakPolarHBondContact O-CB 3.4Å; R634-Q638 WeakPolarHBondContact O-CG 3.31Å; R634-Q638 PolarHBondContact O-N 3.47Å; K635-Q638 PolarHBondContact O-N 3.19Å; E636-Q638 VanDerWaalsContact C-N 3.32Å; E636-Q638 PolarHBondContact O-N 3.32Å; Q638-V640 VanDerWaalsContact C-N 3.34Å; Q638-V640 PolarHBondContact O-N 3.23Å; Q638-G641 PolarHBondContact O-N 3.13Å; Q638-G641 VanDerWaalsContact O-N 3.15Å; Q638-D642 PolarHBondContact O-N 3Å
639S87.9Confident84.2Confident54 Ų5496.3 Ų96.338%0.37848%0.481SS..Hα-helixtrans-59.6-43.6174.5-1780000112.1K635 E636 D642 K643K635-S639 WeakPolarHBondContact O-CB 3.32Å; K635-S639 PolarHBondContact O-N 2.74Å; E636-S639 CarbonylContact O-C 3.59Å; E636-S639 WeakPolarHBondContact O-CB 3.27Å; E636-S639 PolarHBondContact O-N 3.43Å; S639-D642 PolarHBondContact O-N 3.04Å; S639-K643 WeakPolarHBondContact O-CB 3.28Å; S639-K643 VanDerWaalsContact O-CG 3.24Å; S639-K643 WeakPolarHBondContact O-CG 3.31Å; S639-K643 PolarHBondContact O-N 3.03Å
640V85.8Confident85Confident68 Ų6894.7 Ų94.741%0.41247%0.469SS..Hα-helixtrans-67.2-37.5175.7170.80000110.5E636 Q638 K643 L644E636-V640 VanDerWaalsContact O-CB 3.32Å; E636-V640 WeakPolarHBondContact O-CB 3.39Å; E636-V640 WeakPolarHBondContact O-CG2 3.36Å; E636-V640 PolarHBondContact O-N 2.86Å; Q638-V640 VanDerWaalsContact C-N 3.34Å; Q638-V640 PolarHBondContact O-N 3.23Å; V640-K643 CarbonylContact O-C 3.51Å; V640-K643 PolarHBondContact O-N 2.77Å; V640-L644 HydrophobicContact CG1-CD1 3.91Å; V640-L644 HydrophobicContact CG1-CG 4.31Å; V640-L644 VanDerWaalsContact O-CB 3.25Å; V640-L644 WeakPolarHBondContact O-CB 3.31Å; V640-L644 VanDerWaalsContact O-CG 3.29Å; V640-L644 WeakPolarHBondContact O-CG 3.31Å; V640-L644 PolarHBondContact O-N 2.89Å
641G87.8Confident85.8Confident25 Ų2597.4 Ų97.426%0.25848%0.484SS..Hα-helixtrans-63.1-41.2174.200000112.6L637 Q638 L644 K645L637-G641 WeakPolarHBondContact O-CA 3.39Å; L637-G641 PolarHBondContact O-N 3.43Å; Q638-G641 PolarHBondContact O-N 3.13Å; Q638-G641 VanDerWaalsContact O-N 3.15Å; G641-L644 PolarHBondContact O-N 2.81Å; G641-K645 WeakPolarHBondContact O-CG 3.38Å; G641-K645 PolarHBondContact O-N 3.4Å
642D86.4Confident86.4Confident96 Ų9698.2 Ų98.251%0.51348%0.484SS..Hα-helixtrans-71.4-38.8175.5-67.1-27.5000111.6Q638 S639 L644 K645 H646Q638-D642 PolarHBondContact O-N 3Å; S639-D642 PolarHBondContact O-N 3.04Å; D642-L644 VanDerWaalsContact C-N 3.33Å; D642-L644 PolarHBondContact O-N 3.47Å; D642-K645 PolarHBondContact O-N 3.23Å; D642-K645 IonicContact OD1-NZ 3.44Å; D642-K645 PolarHBondContact OD1-NZ 2.69Å; D642-H646 PolarHBondContact O-N 2.79Å
643K87.4Confident86.7Confident130 Ų130100.1 Ų100.157%0.56549%0.49SS*.Hα-helixtrans-61.7-39.1169.6-72.8170.9-175.8175.80111.9S639 V640 H646 L647S639-K643 WeakPolarHBondContact O-CB 3.28Å; S639-K643 VanDerWaalsContact O-CG 3.24Å; S639-K643 WeakPolarHBondContact O-CG 3.31Å; S639-K643 PolarHBondContact O-N 3.03Å; V640-K643 CarbonylContact O-C 3.51Å; V640-K643 PolarHBondContact O-N 2.77Å; K643-H646 WeakPolarHBondContact O-CB 3.11Å; K643-H646 PolarHBondContact O-N 2.83Å; K643-L647 WeakPolarHBondContact O-CB 3.39Å; K643-L647 WeakPolarHBondContact O-CG 3.29Å; K643-L647 PolarHBondContact O-N 2.74Å
644L87.9Confident87.2Confident102 Ų10299.4 Ų99.453%0.53449%0.491SS..Hα-helixtrans-67.1-40.5177.4-85.8166.1000111.5V640 G641 D642 H646 L647 D648V640-L644 HydrophobicContact CG1-CD1 3.91Å; V640-L644 HydrophobicContact CG1-CG 4.31Å; V640-L644 VanDerWaalsContact O-CB 3.25Å; V640-L644 WeakPolarHBondContact O-CB 3.31Å; V640-L644 VanDerWaalsContact O-CG 3.29Å; V640-L644 WeakPolarHBondContact O-CG 3.31Å; V640-L644 PolarHBondContact O-N 2.89Å; G641-L644 PolarHBondContact O-N 2.81Å; D642-L644 VanDerWaalsContact C-N 3.33Å; D642-L644 PolarHBondContact O-N 3.47Å; L644-H646 VanDerWaalsContact C-N 3.3Å; L644-H646 PolarHBondContact O-N 3.16Å; L644-L647 PolarHBondContact O-N 2.82Å; L644-D648 WeakPolarHBondContact O-CB 3.33Å; L644-D648 PolarHBondContact O-N 3.48Å
645K88.9Confident87.4Confident132 Ų13296.2 Ų96.257%0.57449%0.485SS*.Hα-helixtrans-62.4-40.2172.3-71.5170.6-171.2162.50111.5G641 D642 N649G641-K645 WeakPolarHBondContact O-CG 3.38Å; G641-K645 PolarHBondContact O-N 3.4Å; D642-K645 PolarHBondContact O-N 3.23Å; D642-K645 IonicContact OD1-NZ 3.44Å; D642-K645 PolarHBondContact OD1-NZ 2.69Å; K645-N649 WeakPolarHBondContact O-CB 3.34Å; K645-N649 VanDerWaalsContact O-CG 3.27Å; K645-N649 PolarHBondContact O-N 3.39Å; K645-N649 PolarHBondContact O-ND2 2.98Å
646H88.9Confident87.7Confident126 Ų12694.4 Ų94.458%0.58349%0.486SS*.Hα-helixtrans-64.8-46.9175.1-172.160.5000111.4D642 K643 L644 D648 N649 C650D642-H646 PolarHBondContact O-N 2.79Å; K643-H646 WeakPolarHBondContact O-CB 3.11Å; K643-H646 PolarHBondContact O-N 2.83Å; L644-H646 VanDerWaalsContact C-N 3.3Å; L644-H646 PolarHBondContact O-N 3.16Å; H646-D648 PolarHBondContact O-N 3.18Å; H646-N649 WeakPolarHBondContact O-CB 3.5Å; H646-N649 PolarHBondContact O-N 3.16Å; H646-C650 PolarHBondContact O-N 3.45Å; H646-C650 PolarHBondContact O-SG 2.77Å
647L88.1Confident87.9Confident97 Ų9794.9 Ų94.951%0.50849%0.486SS..Hα-helixtrans-62.7-38.8175.7-75.8169.3000112.4K643 L644 N649 C650 I651K643-L647 WeakPolarHBondContact O-CB 3.39Å; K643-L647 WeakPolarHBondContact O-CG 3.29Å; K643-L647 PolarHBondContact O-N 2.74Å; L644-L647 PolarHBondContact O-N 2.82Å; L647-N649 VanDerWaalsContact C-N 3.33Å; L647-C650 CarbonylContact O-C 3.57Å; L647-C650 WeakPolarHBondContact O-CA 3.4Å; L647-C650 WeakPolarHBondContact O-CB 3.5Å; L647-C650 PolarHBondContact O-N 2.75Å; L647-C650 VanDerWaalsContact O-N 3.16Å; L647-I651 WeakPolarHBondContact O-CB 3.2Å; L647-I651 VanDerWaalsContact O-CG1 3.26Å; L647-I651 WeakPolarHBondContact O-CG1 3.45Å; L647-I651 PolarHBondContact O-N 2.67Å
648D90.4Very high88.1Confident75 Ų7594.6 Ų94.640%0.40148%0.484SS..Hα-helixtrans-65.6-37.8176.1-177.768000111.4L644 H646 I651 R652L644-D648 WeakPolarHBondContact O-CB 3.33Å; L644-D648 PolarHBondContact O-N 3.48Å; H646-D648 PolarHBondContact O-N 3.18Å; D648-I651 PolarHBondContact O-N 3.37Å; D648-R652 WeakPolarHBondContact O-CB 3.49Å; D648-R652 WeakPolarHBondContact O-CG 3.46Å; D648-R652 PolarHBondContact O-N 2.75Å; D648-R652 IonicContact OD2-CZ 3.11Å; D648-R652 IonicContact OD2-NE 3.06Å; D648-R652 PolarHBondContact OD2-NE 2.92Å; D648-R652 IonicContact OD2-NH2 2.66Å; D648-R652 PolarHBondContact OD2-NH2 2.87Å
649N88.7Confident88.1Confident78 Ų7896 Ų9642%0.41749%0.491SS..Hα-helixtrans-65.8-40.6170-71.5-15.5000111.6K645 H646 L647 R652 Q653K645-N649 WeakPolarHBondContact O-CB 3.34Å; K645-N649 VanDerWaalsContact O-CG 3.27Å; K645-N649 PolarHBondContact O-N 3.39Å; K645-N649 PolarHBondContact O-ND2 2.98Å; H646-N649 WeakPolarHBondContact O-CB 3.5Å; H646-N649 PolarHBondContact O-N 3.16Å; L647-N649 VanDerWaalsContact C-N 3.33Å; N649-R652 PolarHBondContact O-N 3.41Å; N649-R652 PolarHBondContact OD1-NH2 3.28Å; N649-Q653 WeakPolarHBondContact O-CG 3.32Å; N649-Q653 PolarHBondContact O-N 2.81Å
650C88.3Confident87.9Confident42 Ų42100.3 Ų100.328%0.28450%0.5SS..Hα-helixtrans-64-41.4173.9-68.10000112.1H646 L647 Q653 V654H646-C650 PolarHBondContact O-N 3.45Å; H646-C650 PolarHBondContact O-SG 2.77Å; L647-C650 CarbonylContact O-C 3.57Å; L647-C650 WeakPolarHBondContact O-CA 3.4Å; L647-C650 WeakPolarHBondContact O-CB 3.5Å; L647-C650 PolarHBondContact O-N 2.75Å; L647-C650 VanDerWaalsContact O-N 3.16Å; C650-Q653 CarbonylContact O-C 3.57Å; C650-Q653 WeakPolarHBondContact O-CB 3.14Å; C650-Q653 PolarHBondContact O-N 3.32Å; C650-V654 VanDerWaalsContact O-CG2 3.3Å; C650-V654 WeakPolarHBondContact O-CG2 3.37Å; C650-V654 PolarHBondContact O-N 2.86Å
651I88.7Confident87.7Confident92 Ų92103 Ų10347%0.47251%0.508SS..Hα-helixtrans-64.7-43.5176.4-72165.5000109.9L647 D648 Q653 V654 N655L647-I651 WeakPolarHBondContact O-CB 3.2Å; L647-I651 VanDerWaalsContact O-CG1 3.26Å; L647-I651 WeakPolarHBondContact O-CG1 3.45Å; L647-I651 PolarHBondContact O-N 2.67Å; D648-I651 PolarHBondContact O-N 3.37Å; I651-Q653 VanDerWaalsContact C-N 3.31Å; I651-Q653 PolarHBondContact O-N 3.02Å; I651-V654 PolarHBondContact O-N 3.25Å; I651-N655 WeakPolarHBondContact O-CB 3.39Å; I651-N655 PolarHBondContact O-N 2.87Å
652R89.7Confident87.4Confident135 Ų135108 Ų10851%0.50952%0.523SS..Hα-helixtrans-60.7-41.3173.6-80.1-175-84.8-178.2-1.4111.8D648 N649 T656D648-R652 WeakPolarHBondContact O-CB 3.49Å; D648-R652 WeakPolarHBondContact O-CG 3.46Å; D648-R652 PolarHBondContact O-N 2.75Å; D648-R652 IonicContact OD2-CZ 3.11Å; D648-R652 IonicContact OD2-NE 3.06Å; D648-R652 PolarHBondContact OD2-NE 2.92Å; D648-R652 IonicContact OD2-NH2 2.66Å; D648-R652 PolarHBondContact OD2-NH2 2.87Å; N649-R652 PolarHBondContact O-N 3.41Å; N649-R652 PolarHBondContact OD1-NH2 3.28Å; R652-T656 WeakPolarHBondContact O-CB 3.43Å; R652-T656 PolarHBondContact O-N 3.07Å; R652-T656 PolarHBondContact O-OG1 2.97Å
653Q88.4Confident87.1Confident121 Ų121107.2 Ų107.257%0.56552%0.521SS*.Hα-helixtrans-63.5-42.8173.1-74.4178.4900112.4N649 C650 I651 T656 K657N649-Q653 WeakPolarHBondContact O-CG 3.32Å; N649-Q653 PolarHBondContact O-N 2.81Å; C650-Q653 CarbonylContact O-C 3.57Å; C650-Q653 WeakPolarHBondContact O-CB 3.14Å; C650-Q653 PolarHBondContact O-N 3.32Å; I651-Q653 VanDerWaalsContact C-N 3.31Å; I651-Q653 PolarHBondContact O-N 3.02Å; Q653-T656 PolarHBondContact O-N 3.34Å; Q653-K657 WeakPolarHBondContact O-CB 3.34Å; Q653-K657 WeakPolarHBondContact O-CG 3.34Å; Q653-K657 PolarHBondContact O-N 2.69Å
654V89.1Confident86.6Confident90 Ų90104.9 Ų104.955%0.54551%0.512SS..Hα-helixtrans-65.9-43.5177.5169.60000111C650 I651 T656 K657 L658C650-V654 VanDerWaalsContact O-CG2 3.3Å; C650-V654 WeakPolarHBondContact O-CG2 3.37Å; C650-V654 PolarHBondContact O-N 2.86Å; I651-V654 PolarHBondContact O-N 3.25Å; V654-T656 VanDerWaalsContact C-N 3.34Å; V654-T656 PolarHBondContact O-N 2.96Å; V654-K657 CarbonylContact O-C 3.18Å; V654-K657 PolarHBondContact O-N 3.27Å; V654-L658 VanDerWaalsContact O-CB 3.28Å; V654-L658 WeakPolarHBondContact O-CB 3.46Å; V654-L658 PolarHBondContact O-N 3.25Å
655N87Confident85.9Confident81 Ų81103.4 Ų103.443%0.43351%0.507SS..Hα-helixtrans-63-42.1175.7-76.7-17.9000111I651 K657 L658 E659I651-N655 WeakPolarHBondContact O-CB 3.39Å; I651-N655 PolarHBondContact O-N 2.87Å; N655-K657 VanDerWaalsContact C-N 3.33Å; N655-K657 PolarHBondContact O-N 2.64Å; N655-L658 PolarHBondContact O-N 3.38Å; N655-E659 VanDerWaalsContact O-CB 3.26Å; N655-E659 WeakPolarHBondContact O-CB 3.35Å; N655-E659 PolarHBondContact O-N 2.82Å
656T88.3Confident85Confident93 Ų93100.9 Ų100.957%0.57150%0.5SS*.Hα-helixtrans-63.1-40.9174.9-50.80000111.1R652 Q653 V654 E659 Y660R652-T656 WeakPolarHBondContact O-CB 3.43Å; R652-T656 PolarHBondContact O-N 3.07Å; R652-T656 PolarHBondContact O-OG1 2.97Å; Q653-T656 PolarHBondContact O-N 3.34Å; V654-T656 VanDerWaalsContact C-N 3.34Å; V654-T656 PolarHBondContact O-N 2.96Å; T656-E659 PolarHBondContact O-N 3.32Å; T656-Y660 VanDerWaalsContact O-CB 3.29Å; T656-Y660 WeakPolarHBondContact O-CB 3.33Å; T656-Y660 PolarHBondContact O-N 2.82Å
657K88.6Confident84.1Confident142 Ų142102.7 Ų102.762%0.61751%0.506SS*.Hα-helixtrans-66.5-38.9174.2-78-178.8178.7-178.80112.5Q653 V654 N655 Y660 Q661Q653-K657 WeakPolarHBondContact O-CB 3.34Å; Q653-K657 WeakPolarHBondContact O-CG 3.34Å; Q653-K657 PolarHBondContact O-N 2.69Å; V654-K657 CarbonylContact O-C 3.18Å; V654-K657 PolarHBondContact O-N 3.27Å; N655-K657 VanDerWaalsContact C-N 3.33Å; N655-K657 PolarHBondContact O-N 2.64Å; K657-Y660 PolarHBondContact O-N 2.85Å; K657-Q661 WeakPolarHBondContact O-CB 3.48Å; K657-Q661 WeakPolarHBondContact O-CG 3.23Å; K657-Q661 PolarHBondContact O-N 2.8Å
658L87.3Confident82.8Confident101 Ų101104.4 Ų104.453%0.52951%0.511SS..Hα-helixtrans-65.9-42.3177-17972.3000110V654 N655 Q661 K662V654-L658 VanDerWaalsContact O-CB 3.28Å; V654-L658 WeakPolarHBondContact O-CB 3.46Å; V654-L658 PolarHBondContact O-N 3.25Å; N655-L658 PolarHBondContact O-N 3.38Å; L658-Q661 PolarHBondContact O-N 2.87Å; L658-K662 WeakPolarHBondContact O-CB 3.36Å; L658-K662 PolarHBondContact O-N 2.8Å
659E86.9Confident81.2Confident136 Ų136106.2 Ų106.264%0.63652%0.519SS*.Hα-helixtrans-70.8-36.4179.3-156.8148.3-143.200111.1N655 T656 K662 T663N655-E659 VanDerWaalsContact O-CB 3.26Å; N655-E659 WeakPolarHBondContact O-CB 3.35Å; N655-E659 PolarHBondContact O-N 2.82Å; T656-E659 PolarHBondContact O-N 3.32Å; E659-K662 PolarHBondContact O-N 2.84Å; E659-T663 WeakPolarHBondContact O-CB 3.26Å; E659-T663 WeakPolarHBondContact O-CG2 3.46Å; E659-T663 PolarHBondContact O-N 2.87Å; E659-T663 PolarHBondContact O-OG1 2.8Å
660Y83.3Confident79.6Confident145 Ų145107.6 Ų107.657%0.56954%0.535SS*.Hα-helixtrans-63.8-46168.2179-97000112.6T656 K657 T663 Q664T656-Y660 VanDerWaalsContact O-CB 3.29Å; T656-Y660 WeakPolarHBondContact O-CB 3.33Å; T656-Y660 PolarHBondContact O-N 2.82Å; K657-Y660 PolarHBondContact O-N 2.85Å; Y660-T663 WeakPolarHBondContact CA-OG1 3.33Å; Y660-T663 PolarHBondContact O-N 2.77Å; Y660-T663 PolarHBondContact O-OG1 2.9Å; Y660-Q664 HydrophobicContact CD1-CG 4.33Å; Y660-Q664 HydrophobicContact CE1-CG 3.9Å; Y660-Q664 HydrophobicContact CE2-CG 4.48Å; Y660-Q664 WeakPolarHBondContact O-CB 3.5Å; Y660-Q664 WeakPolarHBondContact O-CG 3.34Å; Y660-Q664 PolarHBondContact O-N 2.8Å; Y660-Q664 PolarHBondContact OH-NE2 2.91Å; Y660-Q664 VanDerWaalsContact OH-NE2 3.08Å
661Q81.5Confident78.2Confident123 Ų123109.7 Ų109.758%0.57556%0.555SS**Hα-helixtrans-66.2-38.3175.8-82.6-172-15.500111.7K657 L658 Q664 V665K657-Q661 WeakPolarHBondContact O-CB 3.48Å; K657-Q661 WeakPolarHBondContact O-CG 3.23Å; K657-Q661 PolarHBondContact O-N 2.8Å; L658-Q661 PolarHBondContact O-N 2.87Å; Q661-Q664 PolarHBondContact O-N 2.83Å; Q661-V665 VanDerWaalsContact O-CB 3.27Å; Q661-V665 WeakPolarHBondContact O-CB 3.37Å; Q661-V665 WeakPolarHBondContact O-CG2 3.33Å; Q661-V665 PolarHBondContact O-N 2.75Å
662K81.3Confident76.8Confident132 Ų132109.2 Ų109.257%0.57456%0.56SS**Hα-helixtrans-65.3-42.4177.4-172176.5-179.1-178.20110.7L658 E659 V665 D666L658-K662 WeakPolarHBondContact O-CB 3.36Å; L658-K662 PolarHBondContact O-N 2.8Å; E659-K662 PolarHBondContact O-N 2.84Å; K662-V665 PolarHBondContact O-N 3.48Å; K662-D666 WeakPolarHBondContact O-CB 3.45Å; K662-D666 PolarHBondContact O-N 3.38Å
663T80.8Confident75.1Confident78 Ų78111.7 Ų111.748%0.47957%0.574SS.*Hα-helixtrans-70.1-29.7174.644.40000113.6E659 Y660 K667E659-T663 WeakPolarHBondContact O-CB 3.26Å; E659-T663 WeakPolarHBondContact O-CG2 3.46Å; E659-T663 PolarHBondContact O-N 2.87Å; E659-T663 PolarHBondContact O-OG1 2.8Å; Y660-T663 WeakPolarHBondContact CA-OG1 3.33Å; Y660-T663 PolarHBondContact O-N 2.77Å; Y660-T663 PolarHBondContact O-OG1 2.9Å; T663-K667 WeakPolarHBondContact O-CB 3.25Å; T663-K667 WeakPolarHBondContact O-CG 3.34Å; T663-K667 PolarHBondContact O-N 2.77Å
664Q76.3Confident73.5Confident82 Ų82114.7 Ų114.738%0.38359%0.59SS.*Hα-helixtrans-69.5-50.1169.6-81.6-86.8-5.100111.8Y660 Q661 K667 E668Y660-Q664 HydrophobicContact CD1-CG 4.33Å; Y660-Q664 HydrophobicContact CE1-CG 3.9Å; Y660-Q664 HydrophobicContact CE2-CG 4.48Å; Y660-Q664 WeakPolarHBondContact O-CB 3.5Å; Y660-Q664 WeakPolarHBondContact O-CG 3.34Å; Y660-Q664 PolarHBondContact O-N 2.8Å; Y660-Q664 PolarHBondContact OH-NE2 2.91Å; Y660-Q664 VanDerWaalsContact OH-NE2 3.08Å; Q661-Q664 PolarHBondContact O-N 2.83Å; Q664-K667 WeakPolarHBondContact O-CB 3.41Å; Q664-K667 PolarHBondContact O-N 3.12Å; Q664-E668 PolarHBondContact O-N 3.46Å
665V72.8Confident71.8Confident70 Ų70114.8 Ų114.842%0.42460%0.601SS.*Hα-helixtrans-62.8-44.2177.9170.20000109.9Q661 K662 K667 E668 M669Q661-V665 VanDerWaalsContact O-CB 3.27Å; Q661-V665 WeakPolarHBondContact O-CB 3.37Å; Q661-V665 WeakPolarHBondContact O-CG2 3.33Å; Q661-V665 PolarHBondContact O-N 2.75Å; K662-V665 PolarHBondContact O-N 3.48Å; V665-K667 VanDerWaalsContact C-N 3.27Å; V665-K667 PolarHBondContact O-N 2.83Å; V665-E668 CarbonylContact O-C 3.56Å; V665-E668 PolarHBondContact O-N 3.41Å; V665-E668 VanDerWaalsContact O-N 3.11Å; V665-M669 HydrophobicContact CG1-SD 3.95Å; V665-M669 VanDerWaalsContact O-CB 3.23Å; V665-M669 WeakPolarHBondContact O-CB 3.44Å; V665-M669 PolarHBondContact O-N 2.98Å
666D70.8Confident70.8Confident80 Ų80116.9 Ų116.943%0.42862%0.617SS.*Hα-helixtrans-64.3-31.5177.3-72.3-23.1000112K662 S670K662-D666 WeakPolarHBondContact O-CB 3.45Å; K662-D666 PolarHBondContact O-N 3.38Å; D666-S670 PolarHBondContact O-N 3Å
667K70.4Confident69.9Low164 Ų164118 Ų11871%0.71363%0.626SS**Hα-helixtrans-69-43.6169.8-85.1177.9177178.50112T663 Q664 V665 S670T663-K667 WeakPolarHBondContact O-CB 3.25Å; T663-K667 WeakPolarHBondContact O-CG 3.34Å; T663-K667 PolarHBondContact O-N 2.77Å; Q664-K667 WeakPolarHBondContact O-CB 3.41Å; Q664-K667 PolarHBondContact O-N 3.12Å; V665-K667 VanDerWaalsContact C-N 3.27Å; V665-K667 PolarHBondContact O-N 2.83Å; K667-S670 PolarHBondContact O-OG 2.94Å
668E60.4Low69.1Low132 Ų132116 Ų11662%0.61762%0.621SS**Hα-helixtrans-72.3-32.7176.9-74.7-175.7158.300113.5Q664 V665 S670 A671 S672Q664-E668 PolarHBondContact O-N 3.46Å; V665-E668 CarbonylContact O-C 3.56Å; V665-E668 PolarHBondContact O-N 3.41Å; V665-E668 VanDerWaalsContact O-N 3.11Å; E668-S670 VanDerWaalsContact C-N 3.26Å; E668-S670 PolarHBondContact O-N 3.09Å; E668-A671 PolarHBondContact O-N 3.4Å; E668-S672 PolarHBondContact O-N 3.31Å
669M56Low68.7Low114 Ų114113.8 Ų113.856%0.56261%0.614SS**Hα-helixtrans-69.8-24.8-179.4-129.5155.956.400111.7V665 A671V665-M669 HydrophobicContact CG1-SD 3.95Å; V665-M669 VanDerWaalsContact O-CB 3.23Å; V665-M669 WeakPolarHBondContact O-CB 3.44Å; V665-M669 PolarHBondContact O-N 2.98Å; M669-A671 PolarHBondContact O-N 2.73Å
670S55.3Low68.2Low107 Ų107111.3 Ų111.375%0.74862%0.617SS**THydrogen-bonded Turntrans-68.9-16.4170.475.50000113.3D666 K667 E668D666-S670 PolarHBondContact O-N 3Å; K667-S670 PolarHBondContact O-OG 2.94Å; E668-S670 VanDerWaalsContact C-N 3.26Å; E668-S670 PolarHBondContact O-N 3.09Å
671A58.8Low67.9Low86 Ų86112 Ų11271%0.71163%0.625SS**THydrogen-bonded Turntrans-107.5-10.8-176.500000114.9E668 M669E668-A671 PolarHBondContact O-N 3.4Å; M669-A671 PolarHBondContact O-N 2.73Å
672S59.1Low67.7Low82 Ų82111 Ų11157%0.57362%0.62SS**  trans-162.9116.5176.9179.60000113.6E668E668-S672 PolarHBondContact O-N 3.31Å
673K55.3Low67.8Low187 Ų187110.2 Ų110.281%0.81362%0.617SS**  -172.8109.6124.6-100.8166.2-172.5177.60111.6A675K673-A675 PolarHBondContact O-N 3.09Å
674M54.8Low68Low183 Ų183112.9 Ų112.990%0.90162%0.622SS**  trans-66.9116.1147.1-74.5178.468.400107.4V676M674-V676 PolarHBondContact O-N 3.3Å
675A53.3Low68.4Low93 Ų93113.2 Ų113.277%0.76963%0.63SS**  trans-67116.216700000108K673 P677K673-A675 PolarHBondContact O-N 3.09Å; A675-P677 WeakPolarHBondContact O-CD 3.37Å
676V64.9Low69Low125 Ų125113.7 Ų113.776%0.75863%0.632SS**  trans-71.9112.3171178.60000107.3M674 L678M674-V676 PolarHBondContact O-N 3.3Å; V676-L678 PolarHBondContact O-N 3.27Å; V676-L678 VanDerWaalsContact O-N 3.16Å
677P70Confident69.7Low117 Ų117115.9 Ų115.976%0.7664%0.64SS**  trans-75.7110-179.429.6-29.3000108.9A675 S679A675-P677 WeakPolarHBondContact O-CD 3.37Å; P677-S679 PolarHBondContact O-N 3.31Å
678L71.8Confident70.4Confident98 Ų98110.7 Ų110.751%0.51362%0.62SS.*  trans-62.2130.4169.3-71.9166.1000109.7V676 K683V676-L678 PolarHBondContact O-N 3.27Å; V676-L678 VanDerWaalsContact O-N 3.16Å; L678-K683 HydrophobicContact CB-CG 4.06Å; L678-K683 WeakPolarHBondContact O-CE 3.33Å
679S79.2Confident71.9Confident55 Ų55107.7 Ų107.739%0.38561%0.61SS.*  trans-63.9154.9177.367.70000111.6P677 Q681 Q682 K683P677-S679 PolarHBondContact O-N 3.31Å; S679-Q681 PolarHBondContact O-N 3.11Å; S679-Q682 VanDerWaalsContact N-OE1 3.13Å; S679-Q682 PolarHBondContact O-N 3.4Å; S679-Q682 VanDerWaalsContact O-N 3.14Å; S679-Q682 VanDerWaalsContact OG-CD 3.23Å; S679-Q682 VanDerWaalsContact OG-CG 3.28Å; S679-Q682 WeakPolarHBondContact OG-CG 3.14Å; S679-Q682 PolarHBondContact OG-N 3.04Å; S679-Q682 PolarHBondContact OG-OE1 3.45Å; S679-K683 PolarHBondContact O-N 3.27Å
680A76.1Confident73.4Confident84 Ų84107.4 Ų107.469%0.69461%0.611SS**Hα-helixtrans-58.7-33.4-177.900000113.2K684A680-K684 PolarHBondContact O-N 3.28Å; A680-K684 VanDerWaalsContact O-N 3.13Å
681Q76.6Confident75Confident161 Ų161109.3 Ų109.375%0.75260%0.602SS**Hα-helixtrans-69.8-44.7175.3-111.6163.8-3000112.2S679 K683 K684 V685S679-Q681 PolarHBondContact O-N 3.11Å; Q681-K683 VanDerWaalsContact C-N 3.28Å; Q681-K683 PolarHBondContact O-N 3.41Å; Q681-K684 PolarHBondContact O-N 3.31Å; Q681-K684 VanDerWaalsContact O-N 3.16Å; Q681-V685 WeakPolarHBondContact O-CG2 3.49Å; Q681-V685 PolarHBondContact O-N 2.68Å
682Q78.5Confident76.4Confident101 Ų101110.9 Ų110.947%0.47259%0.594SS.*Hα-helixtrans-61.9-37.8175.7-73.3165.8-33.400111.4S679 V685 V686S679-Q682 VanDerWaalsContact N-OE1 3.13Å; S679-Q682 PolarHBondContact O-N 3.4Å; S679-Q682 VanDerWaalsContact O-N 3.14Å; S679-Q682 VanDerWaalsContact OG-CD 3.23Å; S679-Q682 VanDerWaalsContact OG-CG 3.28Å; S679-Q682 WeakPolarHBondContact OG-CG 3.14Å; S679-Q682 PolarHBondContact OG-N 3.04Å; S679-Q682 PolarHBondContact OG-OE1 3.45Å; Q682-V685 PolarHBondContact O-N 3.01Å; Q682-V686 WeakPolarHBondContact O-CB 3.49Å; Q682-V686 VanDerWaalsContact O-CG2 3.23Å; Q682-V686 WeakPolarHBondContact O-CG2 3.45Å; Q682-V686 PolarHBondContact O-N 2.99Å
683K82.1Confident77.8Confident116 Ų116112 Ų11250%0.50459%0.591SS.*Hα-helixtrans-62.4-42.8173.8-72.7-178.4-179.9178.30112.4L678 S679 Q681 V686 Q687L678-K683 HydrophobicContact CB-CG 4.06Å; L678-K683 WeakPolarHBondContact O-CE 3.33Å; S679-K683 PolarHBondContact O-N 3.27Å; Q681-K683 VanDerWaalsContact C-N 3.28Å; Q681-K683 PolarHBondContact O-N 3.41Å; K683-V686 PolarHBondContact O-N 3.24Å; K683-Q687 WeakPolarHBondContact O-CB 3.48Å; K683-Q687 VanDerWaalsContact O-CG 3.3Å; K683-Q687 WeakPolarHBondContact O-CG 3.41Å; K683-Q687 PolarHBondContact O-N 2.95Å
684K84.8Confident79.5Confident133 Ų133105.1 Ų105.158%0.57857%0.572SS**Hα-helixtrans-64.5-44.8178.5-168.6179.8177.1-176.20111.6A680 Q681 V686 Q687 D688A680-K684 PolarHBondContact O-N 3.28Å; A680-K684 VanDerWaalsContact O-N 3.13Å; Q681-K684 PolarHBondContact O-N 3.31Å; Q681-K684 VanDerWaalsContact O-N 3.16Å; K684-V686 PolarHBondContact O-N 2.96Å; K684-Q687 PolarHBondContact O-N 2.52Å; K684-D688 WeakPolarHBondContact O-CB 2.99Å; K684-D688 VanDerWaalsContact O-CG 3.23Å; K684-D688 PolarHBondContact O-N 3Å
685V86.1Confident81.1Confident90 Ų90102.3 Ų102.355%0.54556%0.557SS.*Hα-helixtrans-61.3-45.5176.5174.50000111.2Q681 Q682 Q687 D688 V689Q681-V685 WeakPolarHBondContact O-CG2 3.49Å; Q681-V685 PolarHBondContact O-N 2.68Å; Q682-V685 PolarHBondContact O-N 3.01Å; V685-Q687 VanDerWaalsContact C-N 3.33Å; V685-Q687 PolarHBondContact O-N 2.98Å; V685-D688 PolarHBondContact O-N 2.73Å; V685-V689 WeakPolarHBondContact O-CG2 3.08Å; V685-V689 PolarHBondContact O-N 3.17Å
686V84.3Confident82.8Confident79 Ų79103 Ų10348%0.47954%0.544SS..Hα-helixtrans-62.8-40.1176.9171.70000111.3Q682 K683 K684 L690Q682-V686 WeakPolarHBondContact O-CB 3.49Å; Q682-V686 VanDerWaalsContact O-CG2 3.23Å; Q682-V686 WeakPolarHBondContact O-CG2 3.45Å; Q682-V686 PolarHBondContact O-N 2.99Å; K683-V686 PolarHBondContact O-N 3.24Å; K684-V686 PolarHBondContact O-N 2.96Å; V686-L690 HydrophobicContact CG1-CD1 3.82Å; V686-L690 HydrophobicContact CG1-CG 4.35Å; V686-L690 WeakPolarHBondContact O-CB 3.48Å; V686-L690 WeakPolarHBondContact O-CG 3.17Å; V686-L690 PolarHBondContact O-N 2.87Å
687Q86.6Confident84Confident126 Ų126101.2 Ų101.259%0.58953%0.529SS*.Hα-helixtrans-65.1-39175.4-77.7176.4-16.300112.9K683 K684 V685 R691K683-Q687 WeakPolarHBondContact O-CB 3.48Å; K683-Q687 VanDerWaalsContact O-CG 3.3Å; K683-Q687 WeakPolarHBondContact O-CG 3.41Å; K683-Q687 PolarHBondContact O-N 2.95Å; K684-Q687 PolarHBondContact O-N 2.52Å; V685-Q687 VanDerWaalsContact C-N 3.33Å; V685-Q687 PolarHBondContact O-N 2.98Å; Q687-R691 WeakPolarHBondContact O-CB 3.41Å; Q687-R691 PolarHBondContact O-N 3.48Å
688D85.4Confident84.9Confident55 Ų5597.4 Ų97.429%0.29451%0.512SS..Hα-helixtrans-66.8-44.1178.2-69.6-25.6000111K684 V685 R691 E692K684-D688 WeakPolarHBondContact O-CB 2.99Å; K684-D688 VanDerWaalsContact O-CG 3.23Å; K684-D688 PolarHBondContact O-N 3Å; V685-D688 PolarHBondContact O-N 2.73Å; D688-R691 PolarHBondContact O-N 3.26Å; D688-R691 IonicContact OD1-CZ 3.6Å; D688-R691 IonicContact OD1-NH1 3.61Å; D688-R691 PolarHBondContact OD1-NH1 2.74Å; D688-R691 IonicContact OD1-NH2 2.84Å; D688-R691 PolarHBondContact OD1-NH2 2.79Å; D688-E692 PolarHBondContact O-N 2.83Å
689V90.1Very high85.7Confident69 Ų6996.9 Ų96.942%0.41851%0.509SS..Hα-helixtrans-63.9-43174.8173.30000111.6V685 R691 E692 Q693V685-V689 WeakPolarHBondContact O-CG2 3.08Å; V685-V689 PolarHBondContact O-N 3.17Å; V689-R691 VanDerWaalsContact C-N 3.3Å; V689-R691 PolarHBondContact O-N 3.22Å; V689-E692 PolarHBondContact O-N 3.19Å; V689-Q693 WeakPolarHBondContact O-CG 3.23Å; V689-Q693 PolarHBondContact O-N 3.2Å
690L87.5Confident86.1Confident109 Ų10999.2 Ų99.257%0.57152%0.516SS*.Hα-helixtrans-64.4-36.1177.3-75.5170000112.1V686 G694V686-L690 HydrophobicContact CG1-CD1 3.82Å; V686-L690 HydrophobicContact CG1-CG 4.35Å; V686-L690 WeakPolarHBondContact O-CB 3.48Å; V686-L690 WeakPolarHBondContact O-CG 3.17Å; V686-L690 PolarHBondContact O-N 2.87Å; L690-G694 PolarHBondContact O-N 2.92Å
691R89.5Confident86.6Confident147 Ų147101.4 Ų101.456%0.55551%0.513SS*.Hα-helixtrans-66.3-44174.8-176.9177.762.5-111-1.9111Q687 D688 V689 G694 Q695Q687-R691 WeakPolarHBondContact O-CB 3.41Å; Q687-R691 PolarHBondContact O-N 3.48Å; D688-R691 PolarHBondContact O-N 3.26Å; D688-R691 IonicContact OD1-CZ 3.6Å; D688-R691 IonicContact OD1-NH1 3.61Å; D688-R691 PolarHBondContact OD1-NH1 2.74Å; D688-R691 IonicContact OD1-NH2 2.84Å; D688-R691 PolarHBondContact OD1-NH2 2.79Å; V689-R691 VanDerWaalsContact C-N 3.3Å; V689-R691 PolarHBondContact O-N 3.22Å; R691-G694 PolarHBondContact O-N 2.63Å; R691-Q695 PolarHBondContact O-N 2.9Å
692E88.6Confident87.2Confident119 Ų119100.1 Ų100.156%0.55651%0.505SS*.Hα-helixtrans-63.1-47.2177.5-172.2179.2-178.700111.9D688 V689 G694 Q695 Q696D688-E692 PolarHBondContact O-N 2.83Å; V689-E692 PolarHBondContact O-N 3.19Å; E692-G694 VanDerWaalsContact C-N 3.32Å; E692-G694 PolarHBondContact O-N 3.32Å; E692-Q695 WeakPolarHBondContact O-CB 3.27Å; E692-Q695 PolarHBondContact O-N 3.41Å; E692-Q696 PolarHBondContact O-N 3.45Å
693Q88.6Confident87.6Confident106 Ų106101.3 Ų101.350%0.49551%0.51SS..Hα-helixtrans-64.7-37.1174.9-70.4-158.8-20.600112.2V689 Q695 Q696 I697V689-Q693 WeakPolarHBondContact O-CG 3.23Å; V689-Q693 PolarHBondContact O-N 3.2Å; Q693-Q695 VanDerWaalsContact C-N 3.3Å; Q693-Q695 PolarHBondContact O-N 3.45Å; Q693-Q696 PolarHBondContact O-N 3.18Å; Q693-I697 WeakPolarHBondContact O-CB 3.4Å; Q693-I697 VanDerWaalsContact O-CG1 3.25Å; Q693-I697 WeakPolarHBondContact O-CG1 3.43Å; Q693-I697 PolarHBondContact O-N 2.94Å
694G91.1Very high87.8Confident42 Ų42101.1 Ų101.143%0.43351%0.514SS..Hα-helixtrans-60.5-40.3173.200000112.5L690 R691 E692 G698L690-G694 PolarHBondContact O-N 2.92Å; R691-G694 PolarHBondContact O-N 2.63Å; E692-G694 VanDerWaalsContact C-N 3.32Å; E692-G694 PolarHBondContact O-N 3.32Å; G694-G698 PolarHBondContact O-N 3.48Å
695Q88.4Confident87.8Confident124 Ų124101.5 Ų101.558%0.57952%0.515SS*.Hα-helixtrans-63.3-49.4174.7-160.795.327.600111R691 E692 Q693 I697 G698 D699R691-Q695 PolarHBondContact O-N 2.9Å; E692-Q695 WeakPolarHBondContact O-CB 3.27Å; E692-Q695 PolarHBondContact O-N 3.41Å; Q693-Q695 VanDerWaalsContact C-N 3.3Å; Q693-Q695 PolarHBondContact O-N 3.45Å; Q695-I697 VanDerWaalsContact C-N 3.34Å; Q695-I697 PolarHBondContact O-N 2.97Å; Q695-G698 WeakPolarHBondContact O-CA 3.43Å; Q695-G698 PolarHBondContact O-N 3.21Å; Q695-G698 VanDerWaalsContact O-N 3.08Å; Q695-D699 PolarHBondContact O-N 3.19Å
696Q88.5Confident87.8Confident107 Ų107100.9 Ų100.950%0.551%0.509SS..Hα-helixtrans-60.3-41.1178.3-72.2178.1-4.700112.6E692 Q693 G698 D699 M700E692-Q696 PolarHBondContact O-N 3.45Å; Q693-Q696 PolarHBondContact O-N 3.18Å; Q696-G698 VanDerWaalsContact C-N 3.34Å; Q696-D699 PolarHBondContact O-N 3.42Å; Q696-M700 PolarHBondContact O-N 3.32Å
697I90.8Very high87.8Confident87 Ų87101.7 Ų101.745%0.44651%0.51SS..Hα-helixtrans-64.8-41.2174.8-68.1165.8000110.5Q693 Q695 M700 M701Q693-I697 WeakPolarHBondContact O-CB 3.4Å; Q693-I697 VanDerWaalsContact O-CG1 3.25Å; Q693-I697 WeakPolarHBondContact O-CG1 3.43Å; Q693-I697 PolarHBondContact O-N 2.94Å; Q695-I697 VanDerWaalsContact C-N 3.34Å; Q695-I697 PolarHBondContact O-N 2.97Å; I697-M700 HydrophobicContact CG1-CE 4.36Å; I697-M700 PolarHBondContact O-N 3.22Å; I697-M701 HydrophobicContact CG2-CE 4.49Å; I697-M701 HydrophobicContact CG2-CG 4.49Å; I697-M701 WeakPolarHBondContact O-CB 3.45Å; I697-M701 WeakPolarHBondContact O-CG 3.03Å; I697-M701 PolarHBondContact O-N 3.15Å
698G89.3Confident87.5Confident38 Ų38103 Ų10339%0.39251%0.514SS..Hα-helixtrans-59.5-44.6175.200000112.5G694 Q695 Q696 M701 K702G694-G698 PolarHBondContact O-N 3.48Å; Q695-G698 WeakPolarHBondContact O-CA 3.43Å; Q695-G698 PolarHBondContact O-N 3.21Å; Q695-G698 VanDerWaalsContact O-N 3.08Å; Q696-G698 VanDerWaalsContact C-N 3.34Å; G698-M701 PolarHBondContact O-N 3.36Å; G698-K702 WeakPolarHBondContact O-CB 3.45Å; G698-K702 PolarHBondContact O-N 3.18Å
699D87.6Confident87.2Confident86 Ų86105.2 Ų105.246%0.4653%0.526SS..Hα-helixtrans-67.5-43.5178.3-68.8-26.3000111.8Q695 Q696 M701 K702 Q703Q695-D699 PolarHBondContact O-N 3.19Å; Q696-D699 PolarHBondContact O-N 3.42Å; D699-M701 PolarHBondContact O-N 3.44Å; D699-K702 WeakPolarHBondContact O-CB 3.35Å; D699-K702 PolarHBondContact O-N 2.99Å; D699-Q703 WeakPolarHBondContact O-CG 3.39Å; D699-Q703 PolarHBondContact O-N 2.92Å
700M87.9Confident86.5Confident105 Ų105109.7 Ų109.752%0.51754%0.542SS..Hα-helixtrans-62-42.3172.6-78.8-167.2-49.600112.2Q696 I697 K702 Q703 I704Q696-M700 PolarHBondContact O-N 3.32Å; I697-M700 HydrophobicContact CG1-CE 4.36Å; I697-M700 PolarHBondContact O-N 3.22Å; M700-K702 VanDerWaalsContact C-N 3.29Å; M700-K702 PolarHBondContact O-N 3.18Å; M700-Q703 PolarHBondContact O-N 3.33Å; M700-I704 WeakPolarHBondContact O-CB 3.43Å; M700-I704 VanDerWaalsContact O-CG1 3.29Å; M700-I704 WeakPolarHBondContact O-CG1 3.21Å; M700-I704 PolarHBondContact O-N 2.98Å
701M87.1Confident85.6Confident129 Ų129112.1 Ų112.164%0.63555%0.548SS*.Hα-helixtrans-62.5-38.9176.4-85.3-164.4175.400111.6I697 G698 D699 I704 K705I697-M701 HydrophobicContact CG2-CE 4.49Å; I697-M701 HydrophobicContact CG2-CG 4.49Å; I697-M701 WeakPolarHBondContact O-CB 3.45Å; I697-M701 WeakPolarHBondContact O-CG 3.03Å; I697-M701 PolarHBondContact O-N 3.15Å; G698-M701 PolarHBondContact O-N 3.36Å; D699-M701 PolarHBondContact O-N 3.44Å; M701-I704 PolarHBondContact O-N 3.4Å; M701-K705 VanDerWaalsContact O-CB 3.29Å; M701-K705 WeakPolarHBondContact O-CB 3.31Å; M701-K705 PolarHBondContact O-N 3.37Å
702K88.8Confident83.7Confident135 Ų135109.1 Ų109.159%0.58755%0.549SS*.Hα-helixtrans-63.4-48175.2-170.2179.9176.4-173.90110.7G698 D699 M700 I704 K705 D706G698-K702 WeakPolarHBondContact O-CB 3.45Å; G698-K702 PolarHBondContact O-N 3.18Å; D699-K702 WeakPolarHBondContact O-CB 3.35Å; D699-K702 PolarHBondContact O-N 2.99Å; M700-K702 VanDerWaalsContact C-N 3.29Å; M700-K702 PolarHBondContact O-N 3.18Å; K702-I704 PolarHBondContact O-N 3.29Å; K702-K705 PolarHBondContact O-N 3.49Å; K702-K705 VanDerWaalsContact O-N 3.13Å; K702-D706 WeakPolarHBondContact O-CB 3.42Å; K702-D706 PolarHBondContact O-N 2.91Å
703Q85.9Confident81.7Confident125 Ų125116.4 Ų116.458%0.58458%0.58SS**Hα-helixtrans-57.8-45.9174.5-72.2177.4-500112.3D699 M700 K705 D706 I707D699-Q703 WeakPolarHBondContact O-CG 3.39Å; D699-Q703 PolarHBondContact O-N 2.92Å; M700-Q703 PolarHBondContact O-N 3.33Å; Q703-K705 VanDerWaalsContact C-N 3.31Å; Q703-K705 PolarHBondContact O-N 2.8Å; Q703-D706 PolarHBondContact O-N 3.48Å; Q703-I707 WeakPolarHBondContact O-CB 3.11Å; Q703-I707 WeakPolarHBondContact O-CD1 3.49Å; Q703-I707 WeakPolarHBondContact O-CG1 3.13Å; Q703-I707 PolarHBondContact O-N 3.32Å
704I87.3Confident81.3Confident113 Ų113117 Ų11758%0.57958%0.584SS**Hα-helixtrans-62.3-39.2176.8-70.6168.2000111.1M700 M701 K702 K708M700-I704 WeakPolarHBondContact O-CB 3.43Å; M700-I704 VanDerWaalsContact O-CG1 3.29Å; M700-I704 WeakPolarHBondContact O-CG1 3.21Å; M700-I704 PolarHBondContact O-N 2.98Å; M701-I704 PolarHBondContact O-N 3.4Å; K702-I704 PolarHBondContact O-N 3.29Å; I704-K708 VanDerWaalsContact O-CB 3.28Å; I704-K708 WeakPolarHBondContact O-CB 3.34Å; I704-K708 PolarHBondContact O-N 3.44Å
705K84.9Confident80.8Confident140 Ų140120.9 Ų120.961%0.60959%0.592SS**Hα-helixtrans-69.9-39.2178.5-162.5174.8-172.8179.70111.6M701 K702 Q703 K708 N709M701-K705 VanDerWaalsContact O-CB 3.29Å; M701-K705 WeakPolarHBondContact O-CB 3.31Å; M701-K705 PolarHBondContact O-N 3.37Å; K702-K705 PolarHBondContact O-N 3.49Å; K702-K705 VanDerWaalsContact O-N 3.13Å; Q703-K705 VanDerWaalsContact C-N 3.31Å; Q703-K705 PolarHBondContact O-N 2.8Å; K705-K708 PolarHBondContact O-N 3.45Å; K705-N709 WeakPolarHBondContact O-CB 3.46Å; K705-N709 PolarHBondContact O-N 2.76Å; K705-N709 PolarHBondContact O-ND2 3.29Å; K705-N709 PolarHBondContact O-OD1 3.14Å
706D84.8Confident80.4Confident78 Ų78120.7 Ų120.742%0.41759%0.593SS.*Hα-helixtrans-66.4-39.7176.5-67.4-19.9000111.2K702 Q703 H710K702-D706 WeakPolarHBondContact O-CB 3.42Å; K702-D706 PolarHBondContact O-N 2.91Å; Q703-D706 PolarHBondContact O-N 3.48Å; D706-H710 WeakPolarHBondContact O-CB 3.4Å; D706-H710 PolarHBondContact O-N 3.19Å; D706-H710 PolarHBondContact O-ND1 2.94Å
707I85Confident79.9Confident96 Ų96121.5 Ų121.549%0.49260%0.598SS.*Hα-helixtrans-63.6-50.2170.6-67.9165.8000110Q703 N709 H710 F711Q703-I707 WeakPolarHBondContact O-CB 3.11Å; Q703-I707 WeakPolarHBondContact O-CD1 3.49Å; Q703-I707 WeakPolarHBondContact O-CG1 3.13Å; Q703-I707 PolarHBondContact O-N 3.32Å; I707-N709 PolarHBondContact O-N 2.94Å; I707-N709 VanDerWaalsContact C-N 3.28Å; I707-H710 WeakPolarHBondContact O-CA 3.48Å; I707-H710 WeakPolarHBondContact O-CB 3.4Å; I707-H710 PolarHBondContact O-N 2.83Å; I707-F711 HydrophobicContact CG2-CD2 3.66Å; I707-F711 HydrophobicContact CG2-CE2 3.94Å; I707-F711 VanDerWaalsContact O-CD2 3.29Å; I707-F711 WeakPolarHBondContact O-CD2 3.47Å; I707-F711 PolarHBondContact O-N 3.36Å
708K81.1Confident79.2Confident154 Ų154123.7 Ų123.767%0.6761%0.607SS**Hα-helixtrans-58.8-39.1179.9-173.7178.8178.8-179.40112.4I704 K705 F711 S712I704-K708 VanDerWaalsContact O-CB 3.28Å; I704-K708 WeakPolarHBondContact O-CB 3.34Å; I704-K708 PolarHBondContact O-N 3.44Å; K705-K708 PolarHBondContact O-N 3.45Å; K708-F711 PolarHBondContact O-N 3.06Å; K708-S712 PolarHBondContact O-N 3.25Å; K708-S712 VanDerWaalsContact O-N 3.07Å
709N77.6Confident78.6Confident101 Ų101129.4 Ų129.454%0.5462%0.622SS.*Hα-helixtrans-70.9-30.3175.8-68.3-16.4000112.4K705 I707 S712K705-N709 WeakPolarHBondContact O-CB 3.46Å; K705-N709 PolarHBondContact O-N 2.76Å; K705-N709 PolarHBondContact O-ND2 3.29Å; K705-N709 PolarHBondContact O-OD1 3.14Å; I707-N709 PolarHBondContact O-N 2.94Å; I707-N709 VanDerWaalsContact C-N 3.28Å; N709-S712 PolarHBondContact O-OG 3.35Å
710H75.6Confident77.9Confident163 Ų163132.5 Ų132.576%0.75563%0.633SS**Hα-helixtrans-73.2-27.5172.2-91.373.8000113.2D706 I707D706-H710 WeakPolarHBondContact O-CB 3.4Å; D706-H710 PolarHBondContact O-N 3.19Å; D706-H710 PolarHBondContact O-ND1 2.94Å; I707-H710 WeakPolarHBondContact O-CA 3.48Å; I707-H710 WeakPolarHBondContact O-CB 3.4Å; I707-H710 PolarHBondContact O-N 2.83Å
711F69.2Low77.1Confident159 Ų159134.6 Ų134.670%0.69764%0.642SS**Hα-helixtrans-102.8-0.5-176.3-79.4-80.5000114.8I707 K708 F713I707-F711 HydrophobicContact CG2-CD2 3.66Å; I707-F711 HydrophobicContact CG2-CE2 3.94Å; I707-F711 VanDerWaalsContact O-CD2 3.29Å; I707-F711 WeakPolarHBondContact O-CD2 3.47Å; I707-F711 PolarHBondContact O-N 3.36Å; K708-F711 PolarHBondContact O-N 3.06Å; F711-F713 PolarHBondContact O-N 3.07Å
712S49.6Very low76.3Confident84 Ų84135.1 Ų135.159%0.58764%0.643SS**  trans-79.494.2170.156.60000110.5K708 N709K708-S712 PolarHBondContact O-N 3.25Å; K708-S712 VanDerWaalsContact O-N 3.07Å; N709-S712 PolarHBondContact O-OG 3.35Å
713F46Very low75.2Confident273 Ų273135.1 Ų135.1100%1.19765%0.648SS**  trans-75.50161.4-89.6-84.7000111.5F711F711-F713 PolarHBondContact O-N 3.07Å

Retrieved 713 of 713 residues in 386.5 ms (Link to these results)

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