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D-ribose pyranase

Catalyzes the interconversion of beta-pyran and beta-furan forms of D-ribose.

AlphaFold DB (Q2G1A5), UniProt , Accession Q99WV6, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene rbsD, Length 134 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
1M84.5Confident95.3Very high228 Ų22896.8 Ų96.8100%1.12349%0.485SS*.  0142.10-66.2175.563.900108.3
2K91.6Very high95.6Very high89 Ų8990.5 Ų90.539%0.38746%0.457SS..  trans-61.6143.5175.6-74.8-172.975-160.90109.5S4 V6 L7 S12 E61K2-S4 WeakPolarHBondContact CE-OG 3.39Å; K2-S4 PolarHBondContact NZ-OG 3.04Å; K2-V6 WeakPolarHBondContact CD-O 3.36Å; K2-V6 WeakPolarHBondContact CE-O 3.5Å; K2-V6 PolarHBondContact NZ-O 2.99Å; K2-L7 HydrophobicContact CB-CD2 4.12Å; K2-S12 PolarHBondContact NZ-OG 3.48Å; K2-E61 IonicContact NZ-OE1 2.72Å; K2-E61 PolarHBondContact NZ-OE1 2.9Å; K2-E61 IonicContact NZ-OE2 3.54Å; K2-E61 PolarHBondContact NZ-OE2 3.25Å
3K95Very high95.7Very high221 Ų22194.9 Ų94.996%0.96147%0.471SS*.SBendtrans-88.7-22.8173-70.2-175.5177.4-1790112.6
4S93.9Very high95.9Very high49 Ų4988.5 Ų88.534%0.34344%0.44SS..SBendtrans-83.1167.7-179.2670000111.6K2 E61K2-S4 WeakPolarHBondContact CE-OG 3.39Å; K2-S4 PolarHBondContact NZ-OG 3.04Å; S4-E61 WeakPolarHBondContact CB-OE1 3.36Å; S4-E61 VanDerWaalsContact OG-CD 3.3Å; S4-E61 PolarHBondContact OG-OE1 2.94Å
5A96Very high96.1Very high49 Ų4984 Ų8441%0.40542%0.418SS..SBendtrans-65.7-41.2-168.100000114.2L7 T57 E60 E61A5-L7 PolarHBondContact O-N 3.46Å; A5-T57 HydrophobicContact CB-CG2 4.22Å; A5-E60 HydrophobicContact CB-CB 3.66Å; A5-E60 HydrophobicContact CB-CG 3.98Å; A5-E61 PolarHBondContact N-OE1 3.22Å
6V98.1Very high96.2Very high2 Ų284.1 Ų84.11%0.01244%0.436CS..  trans-78.5109-176.1-179.30000109.5K2 I11 S12 I15 T57 E61K2-V6 WeakPolarHBondContact CD-O 3.36Å; K2-V6 WeakPolarHBondContact CE-O 3.5Å; K2-V6 PolarHBondContact NZ-O 2.99Å; V6-I11 HydrophobicContact CG1-CB 3.66Å; V6-I11 HydrophobicContact CG1-CG2 3.53Å; V6-I11 HydrophobicContact CG2-CG2 4.45Å; V6-S12 WeakPolarHBondContact CG1-OG 3.46Å; V6-S12 PolarHBondContact O-OG 2.72Å; V6-I15 HydrophobicContact CG2-CD1 3.93Å; V6-T57 HydrophobicContact CG2-CG2 4.08Å; V6-T57 WeakPolarHBondContact CG2-O 3.27Å; V6-E61 WeakPolarHBondContact CB-OE1 3.13Å; V6-E61 HydrophobicContact CG2-CB 4.19Å; V6-E61 HydrophobicContact CG2-CG 4.04Å; V6-E61 PolarHBondContact N-OE1 3.27Å
7L97.5Very high96.3Very high123 Ų12383.6 Ų83.664%0.64444%0.438SS*.  trans-91.1-26.2175.9-61-176.4000113.6K2 A5 E9K2-L7 HydrophobicContact CB-CD2 4.12Å; A5-L7 PolarHBondContact O-N 3.46Å; L7-E9 PolarHBondContact O-N 3.19Å
8N97.9Very high96.3Very high53 Ų5380.9 Ų80.928%0.28342%0.424SS..  trans-65.1127.7-177.6-177.9-81.8000110.4H10 I11 S12 L42N8-H10 VanDerWaalsContact C-N 3.35Å; N8-H10 PolarHBondContact O-N 3.26Å; N8-H10 WeakPolarHBondContact OD1-CB 3.22Å; N8-H10 PolarHBondContact OD1-N 2.67Å; N8-I11 HydrophobicContact CB-CB 4.17Å; N8-I11 HydrophobicContact CB-CD1 3.74Å; N8-I11 HydrophobicContact CB-CG1 3.94Å; N8-I11 PolarHBondContact OD1-N 3.23Å; N8-S12 VanDerWaalsContact O-CB 3.29Å; N8-S12 WeakPolarHBondContact O-CB 3.43Å; N8-S12 PolarHBondContact O-N 3.23Å; N8-S12 PolarHBondContact O-OG 3.18Å; N8-L42 VanDerWaalsContact ND2-CD2 3.28Å; N8-L42 WeakPolarHBondContact ND2-CD2 3.07Å
9E97.3Very high96.4Very high141 Ų14178.5 Ų78.566%0.65942%0.42SS*.Hα-helixtrans-64.7-36.7-175.364.3174.5-151.600113.1L7 K13L7-E9 PolarHBondContact O-N 3.19Å; E9-K13 VanDerWaalsContact O-CB 3.31Å; E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 3.36Å
10H98.2Very high96.5Very high98 Ų9878.8 Ų78.845%0.45442%0.419SS..Hα-helixtrans-76.4-40.5-178-59.2-54.4000111.7N8 K13 A14 I40N8-H10 VanDerWaalsContact C-N 3.35Å; N8-H10 PolarHBondContact O-N 3.26Å; N8-H10 WeakPolarHBondContact OD1-CB 3.22Å; N8-H10 PolarHBondContact OD1-N 2.67Å; H10-K13 PolarHBondContact O-N 3.27Å; H10-A14 WeakPolarHBondContact O-CB 3.46Å; H10-A14 PolarHBondContact O-N 3.44Å; H10-I40 HydrophobicContact CB-CB 4.47Å; H10-I40 HydrophobicContact CB-CD1 4.17Å; H10-I40 HydrophobicContact CB-CG1 3.95Å; H10-I40 HydrophobicContact CB-CG2 3.85Å
11I98.5Very high96.6Very high12 Ų1279.8 Ų79.86%0.06242%0.42CS..Hα-helixtrans-62.9-46.9172-57172.7000109.6V6 N8 K13 A14 I15 I40 L42 V58 I115V6-I11 HydrophobicContact CG1-CB 3.66Å; V6-I11 HydrophobicContact CG1-CG2 3.53Å; V6-I11 HydrophobicContact CG2-CG2 4.45Å; N8-I11 HydrophobicContact CB-CB 4.17Å; N8-I11 HydrophobicContact CB-CD1 3.74Å; N8-I11 HydrophobicContact CB-CG1 3.94Å; N8-I11 PolarHBondContact OD1-N 3.23Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 2.8Å; I11-A14 PolarHBondContact O-N 3.19Å; I11-A14 VanDerWaalsContact O-N 3.12Å; I11-I15 HydrophobicContact CG2-CD1 3.76Å; I11-I15 HydrophobicContact CG2-CG1 4.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 2.99Å; I11-I40 HydrophobicContact CG1-CG2 3.91Å; I11-L42 HydrophobicContact CD1-CD1 3.59Å; I11-V58 HydrophobicContact CG2-CG2 3.94Å; I11-I115 HydrophobicContact CD1-CD1 4.25Å; I11-I115 HydrophobicContact CG1-CD1 3.94Å; I11-I115 HydrophobicContact CG1-CG1 4.24Å; I11-I115 HydrophobicContact CG2-CD1 4.1Å
12S98.2Very high97.2Very high21 Ų2169.8 Ų69.815%0.14737%0.371CS..Hα-helixtrans-57.2-43.7177.8-63.80000111.5K2 V6 N8 A16K2-S12 PolarHBondContact NZ-OG 3.48Å; V6-S12 WeakPolarHBondContact CG1-OG 3.46Å; V6-S12 PolarHBondContact O-OG 2.72Å; N8-S12 VanDerWaalsContact O-CB 3.29Å; N8-S12 WeakPolarHBondContact O-CB 3.43Å; N8-S12 PolarHBondContact O-N 3.23Å; N8-S12 PolarHBondContact O-OG 3.18Å; S12-A16 VanDerWaalsContact O-CB 3.24Å; S12-A16 WeakPolarHBondContact O-CB 3.43Å; S12-A16 PolarHBondContact O-N 3.06Å
13K98Very high97.6Very high148 Ų14866.4 Ų66.464%0.64336%0.357SS*.Hα-helixtrans-63-46.5175.8-178.5-179.9177.1-176.90111.3E9 H10 I11 A16 T17E9-K13 VanDerWaalsContact O-CB 3.31Å; E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 3.36Å; H10-K13 PolarHBondContact O-N 3.27Å; I11-K13 VanDerWaalsContact C-N 3.28Å; I11-K13 PolarHBondContact O-N 2.8Å; K13-A16 PolarHBondContact O-N 3.23Å; K13-T17 WeakPolarHBondContact O-CG2 3.43Å; K13-T17 PolarHBondContact O-N 3.28Å; K13-T17 PolarHBondContact O-OG1 3.05Å
14A98.3Very high97.7Very high5 Ų555.9 Ų55.94%0.04131%0.311CS..Hα-helixtrans-59.8-50.2-179.800000111H10 I11 A16 T17 I18 L24 I40H10-A14 WeakPolarHBondContact O-CB 3.46Å; H10-A14 PolarHBondContact O-N 3.44Å; I11-A14 PolarHBondContact O-N 3.19Å; I11-A14 VanDerWaalsContact O-N 3.12Å; A14-A16 VanDerWaalsContact C-N 3.34Å; A14-A16 PolarHBondContact O-N 3.18Å; A14-T17 PolarHBondContact O-N 3.49Å; A14-T17 VanDerWaalsContact O-N 3.08Å; A14-T17 PolarHBondContact O-OG1 3.16Å; A14-I18 WeakPolarHBondContact O-CG1 3.31Å; A14-I18 PolarHBondContact O-N 3.41Å; A14-L24 HydrophobicContact CB-CD1 3.9Å; A14-I40 HydrophobicContact CB-CD1 3.99Å
15I98.3Very high98Very high21 Ų2153.8 Ų53.811%0.10830%0.296CS..Hα-helixtrans-58.6-44.1176.4-64.4173.7000111.2V6 I11 T17 I18 L24 V58 E61 M62V6-I15 HydrophobicContact CG2-CD1 3.93Å; I11-I15 HydrophobicContact CG2-CD1 3.76Å; I11-I15 HydrophobicContact CG2-CG1 4.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 2.99Å; I15-T17 PolarHBondContact O-N 2.96Å; I15-T17 VanDerWaalsContact O-N 3.13Å; I15-I18 WeakPolarHBondContact O-CB 3.38Å; I15-I18 PolarHBondContact O-N 3.49Å; I15-I18 VanDerWaalsContact O-N 3.15Å; I15-L24 HydrophobicContact CG1-CD2 4Å; I15-V58 HydrophobicContact CD1-CG1 4.27Å; I15-E61 HydrophobicContact CD1-CB 4.19Å; I15-E61 HydrophobicContact CG2-CB 4.31Å; I15-M62 HydrophobicContact CG2-CB 4.48Å
16A97.6Very high98.1Very high86 Ų8651.5 Ų51.571%0.71128%0.277SS*.Hα-helixtrans-65.5-16.4179.600000114.3S12 K13 A14S12-A16 VanDerWaalsContact O-CB 3.24Å; S12-A16 WeakPolarHBondContact O-CB 3.43Å; S12-A16 PolarHBondContact O-N 3.06Å; K13-A16 PolarHBondContact O-N 3.23Å; A14-A16 VanDerWaalsContact C-N 3.34Å; A14-A16 PolarHBondContact O-N 3.18Å
17T97.4Very high98.2Very high75 Ų7551.4 Ų51.446%0.4628%0.277SS..THydrogen-bonded Turntrans-97.4-4.8177.560.70000114.4K13 A14 I15 G19K13-T17 WeakPolarHBondContact O-CG2 3.43Å; K13-T17 PolarHBondContact O-N 3.28Å; K13-T17 PolarHBondContact O-OG1 3.05Å; A14-T17 PolarHBondContact O-N 3.49Å; A14-T17 VanDerWaalsContact O-N 3.08Å; A14-T17 PolarHBondContact O-OG1 3.16Å; I15-T17 PolarHBondContact O-N 2.96Å; I15-T17 VanDerWaalsContact O-N 3.13Å; T17-G19 PolarHBondContact O-N 3.45Å
18I97.5Very high98.2Very high36 Ų3646.4 Ų46.419%0.18525%0.251CS..  trans-71.1122.2-178.2-76.5173.3000109.5A14 I15 D22 L24 M62 K112 S130A14-I18 WeakPolarHBondContact O-CG1 3.31Å; A14-I18 PolarHBondContact O-N 3.41Å; I15-I18 WeakPolarHBondContact O-CB 3.38Å; I15-I18 PolarHBondContact O-N 3.49Å; I15-I18 VanDerWaalsContact O-N 3.15Å; I18-D22 HydrophobicContact CG1-CB 4.45Å; I18-D22 HydrophobicContact CG2-CB 4.19Å; I18-L24 HydrophobicContact CD1-CB 4.08Å; I18-L24 HydrophobicContact CD1-CD2 4.49Å; I18-M62 HydrophobicContact CD1-CE 3.61Å; I18-M62 HydrophobicContact CD1-CG 4.27Å; I18-M62 HydrophobicContact CD1-SD 3.58Å; I18-M62 VanDerWaalsContact CD1-SD 3.58Å; I18-K112 HydrophobicContact CG1-CB 4.34Å; I18-K112 HydrophobicContact CG1-CG 3.94Å; I18-S130 WeakPolarHBondContact CG2-OG 3.05Å
19G97.6Very high98.2Very high35 Ų3545.1 Ų45.136%0.36125%0.247SC..  trans-95.1-175.1161.400000110.9T17 D22 S130T17-G19 PolarHBondContact O-N 3.45Å; G19-D22 WeakPolarHBondContact CA-OD2 3.14Å; G19-D22 PolarHBondContact N-OD2 2.87Å; G19-D22 WeakPolarHBondContact O-CB 3.44Å; G19-D22 PolarHBondContact O-N 3.12Å; G19-S130 PolarHBondContact O-OG 3.08Å
20H98.1Very high98.2Very high83 Ų8341.6 Ų41.638%0.38425%0.248SC..THydrogen-bonded Turntrans-63135.6175.6-172.9-168.3000111D22 V132H20-D22 PolarHBondContact O-N 2.79Å; H20-V132 HydrophobicContact CB-CG1 3.98Å
21F98.1Very high98.2Very high101 Ų10137.3 Ų37.344%0.44323%0.229SC..THydrogen-bonded Turntrans70.33.5-177.4-48.7-71.5000116.3S130F21-S130 PolarHBondContact N-O 3.41Å; F21-S130 PolarHBondContact N-OG 3.18Å; F21-S130 VanDerWaalsContact N-OG 3.16Å
22D98.6Very high98.1Very high18 Ų1840.5 Ų40.510%0.09625%0.25CS..  trans-72.8157.5174.6-78.9-43.1000111.5I18 G19 H20 K112 S130I18-D22 HydrophobicContact CG1-CB 4.45Å; I18-D22 HydrophobicContact CG2-CB 4.19Å; G19-D22 WeakPolarHBondContact CA-OD2 3.14Å; G19-D22 PolarHBondContact N-OD2 2.87Å; G19-D22 WeakPolarHBondContact O-CB 3.44Å; G19-D22 PolarHBondContact O-N 3.12Å; H20-D22 PolarHBondContact O-N 2.79Å; D22-K112 HydrophobicContact CB-CG 4.23Å; D22-K112 VanDerWaalsContact CG-NZ 3.27Å; D22-K112 WeakPolarHBondContact OD1-CE 3.36Å; D22-K112 IonicContact OD1-NZ 3.21Å; D22-K112 PolarHBondContact OD1-NZ 3.17Å; D22-K112 WeakPolarHBondContact OD2-CE 3.33Å; D22-K112 IonicContact OD2-NZ 3.32Å; D22-K112 PolarHBondContact OD2-NZ 3.47Å; D22-S130 PolarHBondContact N-OG 3.12Å; D22-S130 PolarHBondContact O-N 2.73Å; D22-S130 PolarHBondContact O-OG 2.81Å
23L98.7Very high98.1Very high17 Ų1739.9 Ų39.99%0.08925%0.245CC..EExtended strand (participates in β ladder)trans-111.6147.1-174.6-56.6172000111.7Y68 L110 N111 K112 L128 E129L23-Y68 HydrophobicContact CD2-CE2 4.14Å; L23-L110 HydrophobicContact CD1-CB 4.46Å; L23-L110 HydrophobicContact CG-CB 4.33Å; L23-L110 PolarHBondContact N-O 3.1Å; L23-N111 HydrophobicContact CB-CB 4.17Å; L23-N111 CarbonylContact O-C 3.55Å; L23-N111 WeakPolarHBondContact O-CA 3.5Å; L23-N111 PolarHBondContact O-OD1 2.97Å; L23-K112 PolarHBondContact O-N 3.04Å; L23-L128 CarbonylContact C-O 3.57Å; L23-L128 VanDerWaalsContact CA-O 3.28Å; L23-L128 WeakPolarHBondContact CA-O 3.25Å; L23-E129 HydrophobicContact CD2-CB 3.69Å; L23-E129 HydrophobicContact CD2-CG 3.81Å
24L98.8Very high98Very high0 Ų035 Ų350%023%0.229CC..EExtended strand (participates in β ladder)trans-135129.9164.1-177.768.4000108.4A14 I15 I18 V58 M62 G113 I115 L128A14-L24 HydrophobicContact CB-CD1 3.9Å; I15-L24 HydrophobicContact CG1-CD2 4Å; I18-L24 HydrophobicContact CD1-CB 4.08Å; I18-L24 HydrophobicContact CD1-CD2 4.49Å; L24-V58 HydrophobicContact CD2-CG1 3.79Å; L24-M62 HydrophobicContact CB-CE 4.05Å; L24-M62 HydrophobicContact CB-SD 3.9Å; L24-M62 HydrophobicContact CD2-SD 3.84Å; L24-G113 WeakPolarHBondContact CD1-O 3.28Å; L24-I115 HydrophobicContact CD1-CD1 4.2Å; L24-I115 HydrophobicContact CD1-CG1 4.48Å; L24-I115 HydrophobicContact CD2-CD1 4.09Å; L24-I115 HydrophobicContact CG-CD1 4.2Å; L24-L128 PolarHBondContact N-O 3.15Å; L24-L128 WeakPolarHBondContact O-CB 3.34Å; L24-L128 PolarHBondContact O-N 2.82Å
25T98.8Very high97.7Very high6 Ų641.9 Ų41.94%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-107.9145.6179.677.10000112N27 L106 G113 N114 I115 I126 A127T25-N27 PolarHBondContact OG1-ND2 3.26Å; T25-L106 HydrophobicContact CG2-CD2 4.38Å; T25-G113 PolarHBondContact N-O 3.3Å; T25-N114 WeakPolarHBondContact OG1-CA 3.21Å; T25-N114 PolarHBondContact OG1-OD1 2.72Å; T25-I115 WeakPolarHBondContact O-CB 3.34Å; T25-I115 PolarHBondContact O-N 3.29Å; T25-I126 CarbonylContact C-O 3.51Å; T25-I126 VanDerWaalsContact CA-O 3.22Å; T25-I126 WeakPolarHBondContact CA-O 2.87Å; T25-I126 WeakPolarHBondContact CB-O 3.47Å; T25-A127 HydrophobicContact CG2-CB 3.87Å
26I98.9Very high97.6Very high0 Ų043.3 Ų43.30%027%0.272CS..EExtended strand (participates in β ladder)trans-124.6132170.6-55161.4000106.5F51 V54 L55 V58 I115 T117 N125 I126 L128I26-F51 HydrophobicContact CB-CD2 4.4Å; I26-F51 HydrophobicContact CB-CE2 4.03Å; I26-F51 HydrophobicContact CG2-CD2 3.7Å; I26-F51 HydrophobicContact CG2-CE2 3.84Å; I26-F51 WeakPolarHBondContact O-CE2 3.38Å; I26-V54 HydrophobicContact CD1-CG1 4.32Å; I26-V54 HydrophobicContact CG1-CG1 4.41Å; I26-V54 HydrophobicContact CG2-CB 4.34Å; I26-V54 HydrophobicContact CG2-CG1 3.91Å; I26-L55 HydrophobicContact CD1-CB 4.12Å; I26-L55 HydrophobicContact CD1-CD1 3.86Å; I26-V58 HydrophobicContact CD1-CB 4.16Å; I26-V58 HydrophobicContact CD1-CG1 4.4Å; I26-V58 HydrophobicContact CD1-CG2 4.07Å; I26-I115 CarbonylContact C-O 3.6Å; I26-I115 HydrophobicContact CG1-CB 4.23Å; I26-I115 HydrophobicContact CG1-CD1 3.9Å; I26-T117 HydrophobicContact CG2-CG2 3.64Å; I26-N125 CarbonylContact O-C 3.58Å; I26-N125 VanDerWaalsContact O-CA 3.32Å; I26-N125 WeakPolarHBondContact O-CA 3.3Å; I26-I126 HydrophobicContact CB-CG2 3.87Å; I26-I126 HydrophobicContact CD1-CG2 4.4Å; I26-I126 HydrophobicContact CG1-CG2 4.47Å; I26-I126 PolarHBondContact N-O 3.11Å; I26-I126 PolarHBondContact O-N 3.39Å; I26-L128 HydrophobicContact CD1-CD1 4.06Å
27N98.8Very high97.5Very high1 Ų147.6 Ų47.61%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-137.3154.8-165.1-54.1-85.5000111.5T25 M31 I33 I115 T117 S124 N125T25-N27 PolarHBondContact OG1-ND2 3.26Å; N27-M31 HydrophobicContact CB-CB 3.71Å; N27-M31 HydrophobicContact CB-CG 3.93Å; N27-I33 HydrophobicContact CB-CD1 3.92Å; N27-I115 PolarHBondContact N-O 2.89Å; N27-I115 PolarHBondContact ND2-O 2.9Å; N27-I115 VanDerWaalsContact ND2-O 3.15Å; N27-T117 WeakPolarHBondContact O-CB 3.49Å; N27-T117 PolarHBondContact O-N 3.33Å; N27-T117 PolarHBondContact O-OG1 3.26Å; N27-S124 CarbonylContact C-O 3.03Å; N27-N125 WeakPolarHBondContact CA-OD1 3.16Å; N27-N125 VanDerWaalsContact CB-OD1 3.23Å; N27-N125 WeakPolarHBondContact CB-OD1 3.47Å
28D98.6Very high97.4Very high18 Ų1846 Ų4610%0.09626%0.263CS..  trans-68170.8170.570.150000111.8G30 M31 E119 S124 N125D28-G30 PolarHBondContact O-N 3.44Å; D28-G30 WeakPolarHBondContact OD1-CA 3.49Å; D28-G30 PolarHBondContact OD1-N 3.41Å; D28-M31 PolarHBondContact OD1-N 3.4Å; D28-E119 HydrophobicContact CB-CB 4.22Å; D28-E119 HydrophobicContact CB-CG 4.36Å; D28-S124 PolarHBondContact N-O 3Å; D28-N125 PolarHBondContact N-OD1 3.06Å; D28-N125 PolarHBondContact OD2-ND2 3.16Å; D28-N125 PolarHBondContact OD2-OD1 2.81Å
29A98.3Very high97.5Very high26 Ų2648 Ų4822%0.21527%0.268CS..THydrogen-bonded Turntrans-67.1-18.1-175.400000113.7R116 T117 E119A29-R116 PolarHBondContact O-NE 3.38Å; A29-R116 PolarHBondContact O-NH2 3.22Å; A29-T117 WeakPolarHBondContact CA-O 3.43Å; A29-E119 VanDerWaalsContact CB-O 3.23Å; A29-E119 WeakPolarHBondContact CB-O 3.31Å; A29-E119 PolarHBondContact N-O 2.99Å
30G97.3Very high97.5Very high66 Ų6646.8 Ų46.868%0.6825%0.253SS*.THydrogen-bonded Turntrans-101-12.2-174.100000114.9D28D28-G30 PolarHBondContact O-N 3.44Å; D28-G30 WeakPolarHBondContact OD1-CA 3.49Å; D28-G30 PolarHBondContact OD1-N 3.41Å
31M97.8Very high97.5Very high9 Ų946.1 Ų46.14%0.04425%0.253CS..SBendtrans-56.7131.7176.9-167.765.4164.500111.1N27 D28 I33 M102 K103 L106N27-M31 HydrophobicContact CB-CB 3.71Å; N27-M31 HydrophobicContact CB-CG 3.93Å; D28-M31 PolarHBondContact OD1-N 3.4Å; M31-I33 HydrophobicContact CB-CD1 4.5Å; M31-I33 HydrophobicContact CB-CG1 4.22Å; M31-I33 HydrophobicContact CG-CG1 4.15Å; M31-I33 PolarHBondContact O-N 2.94Å; M31-M102 HydrophobicContact CE-CB 4.33Å; M31-M102 HydrophobicContact CE-CE 3.91Å; M31-M102 HydrophobicContact CE-CG 3.97Å; M31-M102 HydrophobicContact SD-CE 4.48Å; M31-K103 HydrophobicContact CE-CB 4.39Å; M31-K103 HydrophobicContact CE-CG 3.9Å; M31-K103 HydrophobicContact SD-CG 4.07Å; M31-L106 HydrophobicContact CE-CD1 3.86Å; M31-L106 HydrophobicContact CE-CD2 3.86Å; M31-L106 HydrophobicContact CE-CG 3.94Å; M31-L106 HydrophobicContact CG-CD1 3.89Å; M31-L106 HydrophobicContact CG-CD2 4.45Å
32P97.1Very high97.6Very high78 Ų7843 Ų4351%0.50624%0.24SC..  trans-77.263.6-175.533-37.1000111.9P34 K103P32-P34 WeakPolarHBondContact O-CD 3.39Å; P32-K103 HydrophobicContact CG-CB 4.45Å; P32-K103 HydrophobicContact CG-CD 3.98Å; P32-K103 HydrophobicContact CG-CG 3.95Å
33I97.5Very high97.5Very high9 Ų943.5 Ų43.55%0.04625%0.247CC..  trans-67123.8-177.8-62163.8000110.1N27 M31 N35 R39 L106 N114 R116N27-I33 HydrophobicContact CB-CD1 3.92Å; M31-I33 HydrophobicContact CB-CD1 4.5Å; M31-I33 HydrophobicContact CB-CG1 4.22Å; M31-I33 HydrophobicContact CG-CG1 4.15Å; M31-I33 PolarHBondContact O-N 2.94Å; I33-N35 PolarHBondContact O-N 3.42Å; I33-R39 HydrophobicContact CG2-CB 4.19Å; I33-R39 HydrophobicContact CG2-CG 3.99Å; I33-R39 PolarHBondContact O-NH1 2.83Å; I33-L106 HydrophobicContact CG1-CD1 4.17Å; I33-N114 HydrophobicContact CD1-CB 4.48Å; I33-N114 HydrophobicContact CG1-CB 4.35Å; I33-N114 HydrophobicContact CG2-CB 3.52Å; I33-R116 HydrophobicContact CD1-CB 3.55Å; I33-R116 HydrophobicContact CD1-CG 3.92Å
34P95.1Very high97.5Very high45 Ų4548.2 Ų48.229%0.29228%0.276SS..  trans-52138.7175.1-27.235000111.9P32 D36P32-P34 WeakPolarHBondContact O-CD 3.39Å; P34-D36 PolarHBondContact O-N 3.37Å
35N93.7Very high97.5Very high150 Ų15052.4 Ų52.480%0.80230%0.302SS*.SBendtrans-8364.6176.7-167.135.6000110.8I33I33-N35 PolarHBondContact O-N 3.42Å
36D95.4Very high97.5Very high50 Ų5059.9 Ų59.927%0.26733%0.334SS..SBendtrans-119.5-176.3177.87224.3000111.7P34 R38 R39P34-D36 PolarHBondContact O-N 3.37Å; D36-R38 PolarHBondContact O-N 3.32Å; D36-R38 VanDerWaalsContact O-N 3.12Å; D36-R38 WeakPolarHBondContact OD1-CA 3.42Å; D36-R38 VanDerWaalsContact OD1-CB 3.25Å; D36-R38 WeakPolarHBondContact OD1-CB 3.5Å; D36-R38 PolarHBondContact OD1-N 3.31Å; D36-R38 IonicContact OD1-NE 3.47Å; D36-R38 IonicContact OD2-CZ 3.74Å; D36-R38 IonicContact OD2-NE 2.67Å; D36-R38 PolarHBondContact OD2-NE 3.44Å; D36-R38 VanDerWaalsContact OD2-NE 3.11Å; D36-R38 IonicContact OD2-NH2 2.75Å; D36-R38 PolarHBondContact OD2-NH2 3.24Å; D36-R39 WeakPolarHBondContact O-CB 3.35Å; D36-R39 PolarHBondContact O-N 3.45Å; D36-R39 VanDerWaalsContact O-N 3.1Å
37H95.2Very high97.4Very high176 Ų17662.9 Ų62.982%0.81535%0.35SS*.THydrogen-bonded Turntrans-65.4-11-177.567.9-83000114.8
38R96.2Very high97.4Very high43 Ų4367.3 Ų67.316%0.16237%0.373CS..THydrogen-bonded Turntrans-90.1-9.9176.6-58.6172.6-71-173.2-3.5111.8D36 I40 A107 H108 N111 G113 N114D36-R38 PolarHBondContact O-N 3.32Å; D36-R38 VanDerWaalsContact O-N 3.12Å; D36-R38 WeakPolarHBondContact OD1-CA 3.42Å; D36-R38 VanDerWaalsContact OD1-CB 3.25Å; D36-R38 WeakPolarHBondContact OD1-CB 3.5Å; D36-R38 PolarHBondContact OD1-N 3.31Å; D36-R38 IonicContact OD1-NE 3.47Å; D36-R38 IonicContact OD2-CZ 3.74Å; D36-R38 IonicContact OD2-NE 2.67Å; D36-R38 PolarHBondContact OD2-NE 3.44Å; D36-R38 VanDerWaalsContact OD2-NE 3.11Å; D36-R38 IonicContact OD2-NH2 2.75Å; D36-R38 PolarHBondContact OD2-NH2 3.24Å; R38-I40 PolarHBondContact O-N 2.75Å; R38-A107 PolarHBondContact NH1-O 2.76Å; R38-H108 PolarHBondContact NH1-O 2.67Å; R38-N111 WeakPolarHBondContact CD-O 3.44Å; R38-G113 CarbonylContact O-C 3.59Å; R38-G113 WeakPolarHBondContact O-CA 3.26Å; R38-N114 PolarHBondContact O-N 2.92Å
39R98.4Very high97.4Very high78 Ų7867.8 Ų67.829%0.29438%0.377SS..EExtended strand (participates in β ladder)trans-70.1119.6176.8-177.8174.4178140.7-4110.4I33 D36 D41I33-R39 HydrophobicContact CG2-CB 4.19Å; I33-R39 HydrophobicContact CG2-CG 3.99Å; I33-R39 PolarHBondContact O-NH1 2.83Å; D36-R39 WeakPolarHBondContact O-CB 3.35Å; D36-R39 PolarHBondContact O-N 3.45Å; D36-R39 VanDerWaalsContact O-N 3.1Å; R39-D41 IonicContact CZ-OD2 3.94Å; R39-D41 IonicContact NE-OD2 3.11Å; R39-D41 PolarHBondContact NE-OD2 3.14Å; R39-D41 IonicContact NH2-OD2 3.35Å; R39-D41 PolarHBondContact NH2-OD2 2.93Å
40I98.6Very high97.4Very high9 Ų973 Ų735%0.04639%0.391CS..EExtended strand (participates in β ladder)trans-11591.2175.6-55.4172.5000107.5H10 I11 A14 R38 L42 N114 I115 R116H10-I40 HydrophobicContact CB-CB 4.47Å; H10-I40 HydrophobicContact CB-CD1 4.17Å; H10-I40 HydrophobicContact CB-CG1 3.95Å; H10-I40 HydrophobicContact CB-CG2 3.85Å; I11-I40 HydrophobicContact CG1-CG2 3.91Å; A14-I40 HydrophobicContact CB-CD1 3.99Å; R38-I40 PolarHBondContact O-N 2.75Å; I40-L42 HydrophobicContact CG2-CD2 4.07Å; I40-L42 HydrophobicContact CG2-CG 4.39Å; I40-N114 PolarHBondContact N-O 3.12Å; I40-I115 HydrophobicContact CB-CG1 4.11Å; I40-I115 HydrophobicContact CD1-CG1 4.08Å; I40-I115 HydrophobicContact CG2-CG1 4.34Å; I40-I115 CarbonylContact O-C 3.59Å; I40-I115 WeakPolarHBondContact O-CA 3.29Å; I40-R116 PolarHBondContact O-N 3.33Å
41D98.5Very high97.5Very high69 Ų6969.8 Ų69.837%0.36936%0.359SS..EExtended strand (participates in β ladder)trans-89.5112.5-174.9-152-23.8000111.4R39 A43 R116R39-D41 IonicContact CZ-OD2 3.94Å; R39-D41 IonicContact NE-OD2 3.11Å; R39-D41 PolarHBondContact NE-OD2 3.14Å; R39-D41 IonicContact NH2-OD2 3.35Å; R39-D41 PolarHBondContact NH2-OD2 2.93Å; D41-A43 WeakPolarHBondContact OD1-CB 3.23Å; D41-A43 PolarHBondContact OD1-N 3.33Å; D41-R116 IonicContact OD1-CZ 2.69Å; D41-R116 IonicContact OD1-NH1 3.99Å; D41-R116 PolarHBondContact OD1-NH1 2.9Å; D41-R116 IonicContact OD2-CZ 3.88Å; D41-R116 IonicContact OD2-NH1 2.89Å; D41-R116 PolarHBondContact OD2-NH1 2.69Å; D41-R116 VanDerWaalsContact OD2-NH1 3.09Å
42L98.6Very high97.5Very high34 Ų3470.6 Ų70.618%0.17836%0.363CS..  trans-108.1-6.2177.4-51.3179.9000112.2N8 I11 I40 V44 P49 V54 I115 R116N8-L42 VanDerWaalsContact ND2-CD2 3.28Å; N8-L42 WeakPolarHBondContact ND2-CD2 3.07Å; I11-L42 HydrophobicContact CD1-CD1 3.59Å; I40-L42 HydrophobicContact CG2-CD2 4.07Å; I40-L42 HydrophobicContact CG2-CG 4.39Å; L42-V44 PolarHBondContact O-N 2.9Å; L42-V44 VanDerWaalsContact O-N 3.16Å; L42-P49 HydrophobicContact CB-CG 3.84Å; L42-P49 WeakPolarHBondContact O-CD 3.47Å; L42-V54 HydrophobicContact CD1-CG1 4.41Å; L42-V54 HydrophobicContact CD1-CG2 4.3Å; L42-I115 HydrophobicContact CD1-CG2 3.59Å; L42-I115 HydrophobicContact CG-CG2 4.08Å; L42-R116 WeakPolarHBondContact CB-O 3.46Å; L42-R116 PolarHBondContact N-O 3.34Å
43A98.1Very high97.6Very high29 Ų2970.5 Ų70.524%0.2436%0.358CS..  trans-68114.5-171.400000111.1D41 R116 T117D41-A43 WeakPolarHBondContact OD1-CB 3.23Å; D41-A43 PolarHBondContact OD1-N 3.33Å; A43-R116 VanDerWaalsContact CB-NH1 3.31Å; A43-R116 PolarHBondContact N-O 3.1Å; A43-T117 VanDerWaalsContact CB-O 3.28Å; A43-T117 WeakPolarHBondContact CB-O 3.42Å
44V98.3Very high97.7Very high116 Ų11670.7 Ų70.770%0.70336%0.36SS*.  trans-97.2-48.9178.2179.80000110.6L42 L48L42-V44 PolarHBondContact O-N 2.9Å; L42-V44 VanDerWaalsContact O-N 3.16Å; V44-L48 HydrophobicContact CB-CD2 4.4Å; V44-L48 HydrophobicContact CB-CG 4.41Å; V44-L48 HydrophobicContact CG1-CD2 4.43Å; V44-L48 PolarHBondContact N-O 3.02Å
45T98.4Very high97.9Very high88 Ų8868.5 Ų68.554%0.5435%0.346SS..BIsolated β-bridgetrans-155.1179.9175.9-171.60000109.3N47 L48 G118T45-N47 PolarHBondContact O-N 3.16Å; T45-L48 HydrophobicContact CG2-CB 3.75Å; T45-L48 HydrophobicContact CG2-CD2 4.08Å; T45-L48 PolarHBondContact N-O 3.19Å; T45-L48 PolarHBondContact O-N 3.1Å; T45-G118 WeakPolarHBondContact O-CA 3.45Å
46K98.3Very high98.1Very high163 Ų16362.9 Ų62.971%0.70932%0.32SS*.THydrogen-bonded Turntrans-54.6124.6177.7-61.8-172.4177.9-179.30110.3L48 T120K46-L48 PolarHBondContact O-N 3.02Å; K46-T120 HydrophobicContact CB-CG2 4.06Å; K46-T120 HydrophobicContact CD-CG2 4.46Å; K46-T120 HydrophobicContact CG-CG2 3.96Å
47N97.7Very high98.3Very high63 Ų6363.2 Ų63.234%0.33732%0.324SS..THydrogen-bonded Turntrans61.126.4-179.4-49.2-35.5000114.3T45 R50 G118 E119 T120T45-N47 PolarHBondContact O-N 3.16Å; N47-R50 HydrophobicContact CB-CG 4.41Å; N47-R50 VanDerWaalsContact O-CG 3.23Å; N47-R50 WeakPolarHBondContact O-CG 2.97Å; N47-G118 WeakPolarHBondContact CA-O 3.23Å; N47-G118 PolarHBondContact N-O 2.82Å; N47-E119 PolarHBondContact OD1-OE1 3.26Å; N47-T120 PolarHBondContact OD1-N 2.69Å; N47-T120 PolarHBondContact OD1-OG1 3.14Å
48L98.5Very high98.4Very high94 Ų9454.9 Ų54.949%0.49229%0.285SS..BIsolated β-bridgetrans-138.5113.1174-174.465.1000112V44 T45 K46V44-L48 HydrophobicContact CB-CD2 4.4Å; V44-L48 HydrophobicContact CB-CG 4.41Å; V44-L48 HydrophobicContact CG1-CD2 4.43Å; V44-L48 PolarHBondContact N-O 3.02Å; T45-L48 HydrophobicContact CG2-CB 3.75Å; T45-L48 HydrophobicContact CG2-CD2 4.08Å; T45-L48 PolarHBondContact N-O 3.19Å; T45-L48 PolarHBondContact O-N 3.1Å; K46-L48 PolarHBondContact O-N 3.02Å
49P98.6Very high98.5Very high29 Ų2954.6 Ų54.619%0.18829%0.287CS..SBendcis-68.3156-11.532.5-36.2000111.1L42 V54 G118L42-P49 HydrophobicContact CB-CG 3.84Å; L42-P49 WeakPolarHBondContact O-CD 3.47Å; P49-V54 HydrophobicContact CB-CG2 3.8Å; P49-V54 HydrophobicContact CG-CG2 3.78Å; P49-G118 WeakPolarHBondContact O-CA 3.39Å; P49-G118 PolarHBondContact O-N 3.16Å
50R98.7Very high98.5Very high134 Ų13457.9 Ų57.951%0.50631%0.306SS..  trans-73.7151.4171.7-57.1-175.6179.287.21.7109.9N47 I52 D53 V54N47-R50 HydrophobicContact CB-CG 4.41Å; N47-R50 VanDerWaalsContact O-CG 3.23Å; N47-R50 WeakPolarHBondContact O-CG 2.97Å; R50-I52 VanDerWaalsContact C-N 3.29Å; R50-I52 HydrophobicContact CB-CG2 4.39Å; R50-I52 PolarHBondContact O-N 3.13Å; R50-D53 HydrophobicContact CB-CB 4.48Å; R50-D53 WeakPolarHBondContact CB-OD2 3.44Å; R50-D53 IonicContact NH1-OD2 3.04Å; R50-D53 PolarHBondContact O-N 3.07Å; R50-V54 WeakPolarHBondContact O-CG2 3.46Å; R50-V54 PolarHBondContact O-N 3.03Å
51F98.8Very high98.5Very high0 Ų060.3 Ų60.30%032%0.317CS..Hα-helixtrans-56.3-46.2176.5167.4-87.9000111.6I26 D53 V54 L55 Q80 I84 E119 S124 I126I26-F51 HydrophobicContact CB-CD2 4.4Å; I26-F51 HydrophobicContact CB-CE2 4.03Å; I26-F51 HydrophobicContact CG2-CD2 3.7Å; I26-F51 HydrophobicContact CG2-CE2 3.84Å; I26-F51 WeakPolarHBondContact O-CE2 3.38Å; F51-D53 PolarHBondContact O-N 3.5Å; F51-V54 PolarHBondContact O-N 3.44Å; F51-L55 HydrophobicContact CE1-CB 4.41Å; F51-L55 HydrophobicContact CE1-CD2 3.82Å; F51-L55 HydrophobicContact CZ-CD2 4.11Å; F51-L55 PolarHBondContact O-N 3.04Å; F51-Q80 HydrophobicContact CD1-CG 4.26Å; F51-Q80 HydrophobicContact CE1-CG 4.36Å; F51-I84 HydrophobicContact CE1-CD1 3.82Å; F51-I84 HydrophobicContact CE1-CG1 3.84Å; F51-I84 HydrophobicContact CZ-CD1 4.11Å; F51-I84 HydrophobicContact CZ-CG1 4.45Å; F51-E119 HydrophobicContact CB-CB 3.61Å; F51-E119 HydrophobicContact CB-CG 3.59Å; F51-E119 PolarHBondContact N-OE2 2.79Å; F51-S124 WeakPolarHBondContact CD2-O 3.43Å; F51-S124 VanDerWaalsContact CE2-O 3.26Å; F51-S124 WeakPolarHBondContact CE2-O 2.92Å; F51-I126 HydrophobicContact CE2-CB 4.31Å; F51-I126 HydrophobicContact CE2-CG2 3.65Å; F51-I126 HydrophobicContact CZ-CB 3.93Å; F51-I126 HydrophobicContact CZ-CG2 3.49Å; F51-I126 VanDerWaalsContact CZ-CG2 3.49Å
52I98.7Very high98.4Very high25 Ų2557.5 Ų57.513%0.12830%0.301CS..Hα-helixtrans-67.1-35.1-174.1-16066.5000113R50 V54 L55 A56 Q83 L87R50-I52 VanDerWaalsContact C-N 3.29Å; R50-I52 HydrophobicContact CB-CG2 4.39Å; R50-I52 PolarHBondContact O-N 3.13Å; I52-V54 VanDerWaalsContact C-N 3.34Å; I52-L55 HydrophobicContact CD1-CD2 4.36Å; I52-L55 PolarHBondContact O-N 3.28Å; I52-A56 WeakPolarHBondContact O-CB 3.44Å; I52-A56 PolarHBondContact O-N 3.14Å; I52-Q83 HydrophobicContact CD1-CB 3.62Å; I52-Q83 HydrophobicContact CG1-CB 4.08Å; I52-L87 HydrophobicContact CD1-CD1 3.3Å; I52-L87 HydrophobicContact CD1-CG 4.09Å; I52-L87 HydrophobicContact CG1-CD1 3.83Å
53D98.6Very high98.4Very high77 Ų7760.6 Ų60.641%0.41232%0.315SS..Hα-helixtrans-67-39.8178.2-61.1-34000110.3R50 F51 T57R50-D53 HydrophobicContact CB-CB 4.48Å; R50-D53 WeakPolarHBondContact CB-OD2 3.44Å; R50-D53 IonicContact NH1-OD2 3.04Å; R50-D53 PolarHBondContact O-N 3.07Å; F51-D53 PolarHBondContact O-N 3.5Å; D53-T57 WeakPolarHBondContact O-CB 3.07Å; D53-T57 PolarHBondContact O-N 2.98Å; D53-T57 VanDerWaalsContact O-N 3.14Å; D53-T57 PolarHBondContact O-OG1 3.43Å
54V98.9Very high98.4Very high12 Ų1259.6 Ų59.67%0.07331%0.306CS..Hα-helixtrans-69.3-44.5176.1176.30000110.9I26 L42 P49 R50 F51 I52 T57 V58 I115 T117I26-V54 HydrophobicContact CD1-CG1 4.32Å; I26-V54 HydrophobicContact CG1-CG1 4.41Å; I26-V54 HydrophobicContact CG2-CB 4.34Å; I26-V54 HydrophobicContact CG2-CG1 3.91Å; L42-V54 HydrophobicContact CD1-CG1 4.41Å; L42-V54 HydrophobicContact CD1-CG2 4.3Å; P49-V54 HydrophobicContact CB-CG2 3.8Å; P49-V54 HydrophobicContact CG-CG2 3.78Å; R50-V54 WeakPolarHBondContact O-CG2 3.46Å; R50-V54 PolarHBondContact O-N 3.03Å; F51-V54 PolarHBondContact O-N 3.44Å; I52-V54 VanDerWaalsContact C-N 3.34Å; V54-T57 PolarHBondContact O-N 2.91Å; V54-V58 HydrophobicContact CG1-CG2 4.38Å; V54-V58 WeakPolarHBondContact O-CG2 3.32Å; V54-V58 PolarHBondContact O-N 2.79Å; V54-I115 HydrophobicContact CG1-CG2 3.94Å; V54-T117 HydrophobicContact CB-CG2 4.07Å; V54-T117 HydrophobicContact CG1-CG2 4.24Å; V54-T117 HydrophobicContact CG2-CG2 3.87Å
55L98.9Very high98.4Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-58.6-50.4177.3176.458.6000111.5I26 F51 I52 T57 V58 L59 I84 L87 I126 L128I26-L55 HydrophobicContact CD1-CB 4.12Å; I26-L55 HydrophobicContact CD1-CD1 3.86Å; F51-L55 HydrophobicContact CE1-CB 4.41Å; F51-L55 HydrophobicContact CE1-CD2 3.82Å; F51-L55 HydrophobicContact CZ-CD2 4.11Å; F51-L55 PolarHBondContact O-N 3.04Å; I52-L55 HydrophobicContact CD1-CD2 4.36Å; I52-L55 PolarHBondContact O-N 3.28Å; L55-T57 VanDerWaalsContact C-N 3.31Å; L55-T57 PolarHBondContact O-N 2.96Å; L55-V58 PolarHBondContact O-N 2.83Å; L55-L59 HydrophobicContact CD1-CD1 3.8Å; L55-L59 HydrophobicContact CD1-CD2 4.45Å; L55-L59 HydrophobicContact CD1-CG 3.95Å; L55-L59 HydrophobicContact CG-CD1 3.9Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.21Å; L55-I84 HydrophobicContact CD2-CB 4.48Å; L55-I84 HydrophobicContact CD2-CG1 3.88Å; L55-I84 HydrophobicContact CD2-CG2 4.37Å; L55-L87 HydrophobicContact CB-CD1 4.26Å; L55-L87 HydrophobicContact CD2-CD1 3.97Å; L55-L87 HydrophobicContact CG-CD1 3.9Å; L55-I126 HydrophobicContact CD1-CD1 4.2Å; L55-I126 HydrophobicContact CD1-CG2 4.35Å; L55-I126 HydrophobicContact CD2-CD1 4.18Å; L55-L128 HydrophobicContact CD1-CD1 4.19Å; L55-L128 HydrophobicContact CD1-CD2 3.97Å
56A98.7Very high98.4Very high31 Ų3154.1 Ų54.126%0.25627%0.266SS..Hα-helixtrans-55.9-46.8176.500000111.4I52 V58 L59 E60 L87I52-A56 WeakPolarHBondContact O-CB 3.44Å; I52-A56 PolarHBondContact O-N 3.14Å; A56-V58 VanDerWaalsContact C-N 3.34Å; A56-V58 PolarHBondContact O-N 3.28Å; A56-L59 PolarHBondContact O-N 3.31Å; A56-E60 WeakPolarHBondContact O-CG 3.23Å; A56-E60 PolarHBondContact O-N 3.38Å; A56-L87 HydrophobicContact CB-CD1 3.94Å; A56-L87 HydrophobicContact CB-CD2 3.96Å
57T98.7Very high98.4Very high57 Ų5746.4 Ų46.435%0.3523%0.232SC..Hα-helixtrans-64-36.4-179.7-53.60000112.9A5 V6 D53 V54 L55A5-T57 HydrophobicContact CB-CG2 4.22Å; V6-T57 HydrophobicContact CG2-CG2 4.08Å; V6-T57 WeakPolarHBondContact CG2-O 3.27Å; D53-T57 WeakPolarHBondContact O-CB 3.07Å; D53-T57 PolarHBondContact O-N 2.98Å; D53-T57 VanDerWaalsContact O-N 3.14Å; D53-T57 PolarHBondContact O-OG1 3.43Å; V54-T57 PolarHBondContact O-N 2.91Å; L55-T57 VanDerWaalsContact C-N 3.31Å; L55-T57 PolarHBondContact O-N 2.96Å
58V98.8Very high98.5Very high1 Ų145.6 Ų45.61%0.00622%0.224CC..Hα-helixtrans-69.5-41.4177167.10000111.2I11 I15 L24 I26 V54 L55 A56 E60 E61 M62 I115 L128I11-V58 HydrophobicContact CG2-CG2 3.94Å; I15-V58 HydrophobicContact CD1-CG1 4.27Å; L24-V58 HydrophobicContact CD2-CG1 3.79Å; I26-V58 HydrophobicContact CD1-CB 4.16Å; I26-V58 HydrophobicContact CD1-CG1 4.4Å; I26-V58 HydrophobicContact CD1-CG2 4.07Å; V54-V58 HydrophobicContact CG1-CG2 4.38Å; V54-V58 WeakPolarHBondContact O-CG2 3.32Å; V54-V58 PolarHBondContact O-N 2.79Å; L55-V58 PolarHBondContact O-N 2.83Å; A56-V58 VanDerWaalsContact C-N 3.34Å; A56-V58 PolarHBondContact O-N 3.28Å; V58-E60 PolarHBondContact O-N 3.22Å; V58-E61 PolarHBondContact O-N 3.37Å; V58-E61 VanDerWaalsContact O-N 3.07Å; V58-M62 HydrophobicContact CG1-CB 4.15Å; V58-M62 HydrophobicContact CG1-SD 4.21Å; V58-M62 WeakPolarHBondContact O-CB 3.25Å; V58-M62 PolarHBondContact O-N 2.8Å; V58-I115 HydrophobicContact CG2-CD1 4.09Å; V58-L128 HydrophobicContact CG1-CD1 3.66Å
59L98.5Very high98.5Very high38 Ų3841.1 Ų41.120%0.19920%0.201CC..Hα-helixtrans-65.2-19.2179.5-68.9171.9000113.3L55 A56 E61 I64 L87 I88 L128L55-L59 HydrophobicContact CD1-CD1 3.8Å; L55-L59 HydrophobicContact CD1-CD2 4.45Å; L55-L59 HydrophobicContact CD1-CG 3.95Å; L55-L59 HydrophobicContact CG-CD1 3.9Å; L55-L59 HydrophobicContact CG-CG 4.46Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.21Å; A56-L59 PolarHBondContact O-N 3.31Å; L59-E61 VanDerWaalsContact C-N 3.27Å; L59-E61 PolarHBondContact O-N 3.01Å; L59-I64 HydrophobicContact CD2-CD1 3.63Å; L59-I64 HydrophobicContact CD2-CG1 4.12Å; L59-I64 HydrophobicContact CD2-CG2 4.34Å; L59-L87 HydrophobicContact CD1-CB 3.95Å; L59-I88 HydrophobicContact CD1-CG2 3.97Å; L59-L128 HydrophobicContact CD2-CD2 4.49Å
60E97.8Very high98.5Very high147 Ų14739.7 Ų39.769%0.68719%0.192SC*.THydrogen-bonded Turntrans-69.1-20.9172.1-66.6-68.5137.900113.6A5 A56 V58A5-E60 HydrophobicContact CB-CB 3.66Å; A5-E60 HydrophobicContact CB-CG 3.98Å; A56-E60 WeakPolarHBondContact O-CG 3.23Å; A56-E60 PolarHBondContact O-N 3.38Å; V58-E60 PolarHBondContact O-N 3.22Å
61E97.6Very high98.4Very high60 Ų6037.5 Ų37.528%0.2819%0.188SC..THydrogen-bonded Turntrans-121.2-14.7-178.9-71.1-172.5-151.300113.7K2 S4 A5 V6 I15 V58 L59K2-E61 IonicContact NZ-OE1 2.72Å; K2-E61 PolarHBondContact NZ-OE1 2.9Å; K2-E61 IonicContact NZ-OE2 3.54Å; K2-E61 PolarHBondContact NZ-OE2 3.25Å; S4-E61 WeakPolarHBondContact CB-OE1 3.36Å; S4-E61 VanDerWaalsContact OG-CD 3.3Å; S4-E61 PolarHBondContact OG-OE1 2.94Å; A5-E61 PolarHBondContact N-OE1 3.22Å; V6-E61 WeakPolarHBondContact CB-OE1 3.13Å; V6-E61 HydrophobicContact CG2-CB 4.19Å; V6-E61 HydrophobicContact CG2-CG 4.04Å; V6-E61 PolarHBondContact N-OE1 3.27Å; I15-E61 HydrophobicContact CD1-CB 4.19Å; I15-E61 HydrophobicContact CG2-CB 4.31Å; V58-E61 PolarHBondContact O-N 3.37Å; V58-E61 VanDerWaalsContact O-N 3.07Å; L59-E61 VanDerWaalsContact C-N 3.27Å; L59-E61 PolarHBondContact O-N 3.01Å
62M97.8Very high98.4Very high9 Ų940.1 Ų40.14%0.04420%0.2CC..  trans-113.1115.2-176.5-177.5175.2173.100111.6I15 I18 L24 V58 I64 L128I15-M62 HydrophobicContact CG2-CB 4.48Å; I18-M62 HydrophobicContact CD1-CE 3.61Å; I18-M62 HydrophobicContact CD1-CG 4.27Å; I18-M62 HydrophobicContact CD1-SD 3.58Å; I18-M62 VanDerWaalsContact CD1-SD 3.58Å; L24-M62 HydrophobicContact CB-CE 4.05Å; L24-M62 HydrophobicContact CB-SD 3.9Å; L24-M62 HydrophobicContact CD2-SD 3.84Å; V58-M62 HydrophobicContact CG1-CB 4.15Å; V58-M62 HydrophobicContact CG1-SD 4.21Å; V58-M62 WeakPolarHBondContact O-CB 3.25Å; V58-M62 PolarHBondContact O-N 2.8Å; M62-I64 HydrophobicContact CE-CG2 3.97Å; M62-I64 HydrophobicContact CG-CG2 3.98Å; M62-I64 HydrophobicContact SD-CG2 4.34Å; M62-L128 HydrophobicContact CE-CB 3.66Å; M62-L128 HydrophobicContact SD-CB 4.09Å; M62-L128 HydrophobicContact SD-CD1 4.06Å
63E97.8Very high98.4Very high99 Ų9938.9 Ų38.946%0.46319%0.193SC..  trans-75.4132.2169.3-172.267.3-160.100110S130 N131 T133E63-S130 WeakPolarHBondContact O-CA 3.32Å; E63-N131 HydrophobicContact CG-CB 3.93Å; E63-N131 PolarHBondContact O-N 3.21Å; E63-T133 HydrophobicContact CB-CG2 3.72Å; E63-T133 HydrophobicContact CG-CG2 3.99Å
64I98.5Very high98.4Very high9 Ų939 Ų395%0.04619%0.19CC..EExtended strand (participates in β ladder)trans-127.3150.9-176.460163.9000111.1L59 M62 I67 I88 I92 L128 E129L59-I64 HydrophobicContact CD2-CD1 3.63Å; L59-I64 HydrophobicContact CD2-CG1 4.12Å; L59-I64 HydrophobicContact CD2-CG2 4.34Å; M62-I64 HydrophobicContact CE-CG2 3.97Å; M62-I64 HydrophobicContact CG-CG2 3.98Å; M62-I64 HydrophobicContact SD-CG2 4.34Å; I64-I67 HydrophobicContact CD1-CG2 3.67Å; I64-I88 HydrophobicContact CD1-CG2 4.13Å; I64-I92 HydrophobicContact CD1-CD1 4.5Å; I64-I92 HydrophobicContact CD1-CG1 4.35Å; I64-I92 HydrophobicContact CD1-CG2 3.96Å; I64-I92 HydrophobicContact CG1-CD1 4.07Å; I64-I92 HydrophobicContact CG1-CG1 4.41Å; I64-I92 WeakPolarHBondContact O-CD1 3.44Å; I64-L128 HydrophobicContact CD1-CD2 4.42Å; I64-L128 HydrophobicContact CG2-CB 4.02Å; I64-E129 VanDerWaalsContact CA-O 3.26Å; I64-E129 WeakPolarHBondContact CA-O 3.42Å; I64-E129 WeakPolarHBondContact CB-O 3.39Å
65Q98.1Very high98.4Very high46 Ų4646.1 Ų46.122%0.21522%0.223CC..EExtended strand (participates in β ladder)trans-109.6-29.617257.2-174.69.600112.6E93 E129 N131Q65-E93 PolarHBondContact O-N 2.91Å; Q65-E129 PolarHBondContact N-O 3.13Å; Q65-E129 PolarHBondContact NE2-OE1 3.42Å; Q65-N131 HydrophobicContact CB-CB 3.8Å; Q65-N131 HydrophobicContact CG-CB 4.29Å
66K98.3Very high98.3Very high43 Ų4351.3 Ų51.319%0.18725%0.247CC..EExtended strand (participates in β ladder)trans-152.7163176.668.5179123.6-156.90112Y68 E93 I95 E129K66-Y68 HydrophobicContact CD-CE2 4.24Å; K66-Y68 WeakPolarHBondContact CD-OH 3.47Å; K66-Y68 HydrophobicContact CG-CE2 4.16Å; K66-E93 CarbonylContact C-O 3.42Å; K66-E93 WeakPolarHBondContact CA-O 3.42Å; K66-E93 HydrophobicContact CB-CB 3.87Å; K66-E93 WeakPolarHBondContact CB-O 3.35Å; K66-E93 IonicContact NZ-OE2 2.81Å; K66-I95 HydrophobicContact CD-CD1 3.59Å; K66-I95 HydrophobicContact CD-CG1 4.35Å; K66-E129 WeakPolarHBondContact CE-OE1 3.26Å; K66-E129 WeakPolarHBondContact CE-OE2 3.07Å; K66-E129 HydrophobicContact CG-CB 3.76Å; K66-E129 HydrophobicContact CG-CG 4.37Å; K66-E129 IonicContact NZ-OE1 3.09Å; K66-E129 PolarHBondContact O-N 2.94Å
67I98.8Very high98.3Very high0 Ų050.3 Ų50.30%024%0.237CC..EExtended strand (participates in β ladder)trans-127.8151.2173.766.8166.5000110.5I64 L69 I84 I88 I92 E93 I94 I95 I126 A127 L128I64-I67 HydrophobicContact CD1-CG2 3.67Å; I67-L69 HydrophobicContact CD1-CD1 4.04Å; I67-L69 HydrophobicContact CD1-CD2 4.48Å; I67-L69 HydrophobicContact CD1-CG 4.15Å; I67-I84 HydrophobicContact CD1-CG2 3.71Å; I67-I88 HydrophobicContact CD1-CD1 3.55Å; I67-I88 HydrophobicContact CG1-CD1 4.22Å; I67-I92 HydrophobicContact CG2-CG2 4.15Å; I67-E93 PolarHBondContact N-O 2.73Å; I67-I94 HydrophobicContact CD1-CD1 4.44Å; I67-I94 HydrophobicContact CD1-CG1 4.06Å; I67-I94 HydrophobicContact CD1-CG2 4.21Å; I67-I94 HydrophobicContact CG1-CB 4.25Å; I67-I94 HydrophobicContact CG1-CG1 3.98Å; I67-I94 HydrophobicContact CG1-CG2 4.08Å; I67-I95 PolarHBondContact O-N 3.29Å; I67-I126 HydrophobicContact CB-CD1 3.92Å; I67-I126 HydrophobicContact CB-CG1 4.01Å; I67-I126 HydrophobicContact CD1-CD1 3.64Å; I67-I126 HydrophobicContact CD1-CG1 4.35Å; I67-I126 HydrophobicContact CG1-CD1 4.38Å; I67-I126 HydrophobicContact CG2-CD1 3.99Å; I67-I126 HydrophobicContact CG2-CG1 4.42Å; I67-A127 CarbonylContact C-O 3.59Å; I67-A127 VanDerWaalsContact CA-O 3.28Å; I67-A127 WeakPolarHBondContact CA-O 3.41Å; I67-L128 HydrophobicContact CG2-CD2 3.64Å
68Y98.7Very high98.3Very high46 Ų4650.6 Ų50.618%0.1824%0.24CC..EExtended strand (participates in β ladder)trans-112.3132.1171.9-53.5-97.3000109.7L23 K66 I95 I97 I126 A127 E129L23-Y68 HydrophobicContact CD2-CE2 4.14Å; K66-Y68 HydrophobicContact CD-CE2 4.24Å; K66-Y68 WeakPolarHBondContact CD-OH 3.47Å; K66-Y68 HydrophobicContact CG-CE2 4.16Å; Y68-I95 VanDerWaalsContact CA-O 3.28Å; Y68-I95 WeakPolarHBondContact CA-O 2.99Å; Y68-I95 HydrophobicContact CD1-CB 3.74Å; Y68-I95 HydrophobicContact CD1-CD1 4.4Å; Y68-I95 HydrophobicContact CD1-CG2 3.87Å; Y68-I95 HydrophobicContact CE1-CB 3.98Å; Y68-I95 HydrophobicContact CE1-CD1 3.74Å; Y68-I95 HydrophobicContact CE1-CG1 4.36Å; Y68-I95 HydrophobicContact CE1-CG2 4.05Å; Y68-I97 HydrophobicContact CD1-CG2 4.35Å; Y68-I126 WeakPolarHBondContact O-CA 3.15Å; Y68-A127 HydrophobicContact CD2-CB 4.08Å; Y68-A127 PolarHBondContact N-O 2.72Å; Y68-A127 PolarHBondContact O-N 2.81Å; Y68-E129 HydrophobicContact CE2-CB 4.08Å; Y68-E129 WeakPolarHBondContact CE2-OE2 3.23Å; Y68-E129 PolarHBondContact OH-OE2 2.95Å
69L98.8Very high98.2Very high0 Ų054.8 Ų54.80%027%0.266CS..EExtended strand (participates in β ladder)trans-127.9152.1176.5-63.3176.1000110.1I67 E71 I73 L81 I84 I94 I95 F96 I97 N125 I126I67-L69 HydrophobicContact CD1-CD1 4.04Å; I67-L69 HydrophobicContact CD1-CD2 4.48Å; I67-L69 HydrophobicContact CD1-CG 4.15Å; L69-E71 PolarHBondContact O-N 2.9Å; L69-I73 HydrophobicContact CB-CG2 4.28Å; L69-I73 HydrophobicContact CD1-CG2 4.48Å; L69-I73 HydrophobicContact CD2-CD1 4.46Å; L69-L81 HydrophobicContact CD1-CD1 3.61Å; L69-I84 HydrophobicContact CD1-CD1 4.41Å; L69-I84 HydrophobicContact CD1-CG2 4.44Å; L69-I84 HydrophobicContact CD2-CD1 3.95Å; L69-I94 HydrophobicContact CD1-CG2 3.8Å; L69-I94 HydrophobicContact CG-CG2 4.3Å; L69-I95 PolarHBondContact N-O 2.92Å; L69-F96 HydrophobicContact CB-CD1 3.96Å; L69-F96 HydrophobicContact CB-CE1 4.07Å; L69-F96 HydrophobicContact CD1-CE1 4.07Å; L69-F96 WeakPolarHBondContact O-CA 3.34Å; L69-I97 PolarHBondContact O-N 3.43Å; L69-N125 WeakPolarHBondContact CD2-O 3.42Å; L69-I126 HydrophobicContact CD2-CB 3.79Å; L69-I126 HydrophobicContact CD2-CD1 4.04Å; L69-I126 HydrophobicContact CD2-CG1 3.69Å
70A98.4Very high98.2Very high0 Ų053.4 Ų53.40%026%0.258CS..EExtended strand (participates in β ladder)trans-61.7131.4167.300000110.1E72 I73 I97 H99 M102 Y123A70-E72 PolarHBondContact O-N 3.04Å; A70-I73 VanDerWaalsContact O-CB 3.32Å; A70-I73 WeakPolarHBondContact O-CB 3.38Å; A70-I73 WeakPolarHBondContact O-CG2 3.42Å; A70-I73 PolarHBondContact O-N 3.41Å; A70-I97 CarbonylContact C-O 3.59Å; A70-I97 VanDerWaalsContact CA-O 3.23Å; A70-I97 WeakPolarHBondContact CA-O 3.32Å; A70-H99 HydrophobicContact CB-CB 4.02Å; A70-M102 HydrophobicContact CB-CE 3.83Å; A70-M102 HydrophobicContact CB-SD 4.34Å; A70-Y123 HydrophobicContact CB-CD1 4.22Å
71E98.3Very high98.3Very high88 Ų8847.1 Ų47.141%0.41123%0.229SC..THydrogen-bonded Turntrans-53-37.7175.2-178.766.5-149.500110.9L69 I73 K74 F96 I97L69-E71 PolarHBondContact O-N 2.9Å; E71-I73 PolarHBondContact O-N 2.89Å; E71-I73 VanDerWaalsContact O-N 3.1Å; E71-K74 WeakPolarHBondContact O-CB 3.36Å; E71-K74 WeakPolarHBondContact O-CG 3.48Å; E71-K74 PolarHBondContact O-N 3.09Å; E71-K74 VanDerWaalsContact O-N 3.14Å; E71-K74 WeakPolarHBondContact OE1-CD 3.49Å; E71-K74 WeakPolarHBondContact OE1-CE 3.28Å; E71-K74 IonicContact OE1-NZ 2.82Å; E71-K74 PolarHBondContact OE1-NZ 2.99Å; E71-K74 IonicContact OE2-NZ 3.57Å; E71-K74 PolarHBondContact OE2-NZ 2.9Å; E71-F96 HydrophobicContact CB-CB 4.38Å; E71-F96 WeakPolarHBondContact OE2-CB 3.35Å; E71-I97 PolarHBondContact N-O 3.25Å
72E98.4Very high98.3Very high54 Ų5450.1 Ų50.125%0.25224%0.243SC..THydrogen-bonded Turntrans-56.3-24.2177.8-66.390.9156.400113.9A70 K74 E75 H76 H99 Y123A70-E72 PolarHBondContact O-N 3.04Å; E72-K74 PolarHBondContact O-N 3.39Å; E72-E75 PolarHBondContact O-N 2.92Å; E72-H76 WeakPolarHBondContact O-CB 3.33Å; E72-H76 PolarHBondContact O-CD2 3.23Å; E72-H76 PolarHBondContact O-N 2.95Å; E72-H99 VanDerWaalsContact CD-CB 3.48Å; E72-H99 HydrophobicContact CG-CB 4.48Å; E72-H99 VanDerWaalsContact OE1-CB 3.27Å; E72-H99 WeakPolarHBondContact OE1-CB 3.3Å; E72-H99 PolarHBondContact OE1-N 3.19Å; E72-H99 VanDerWaalsContact OE1-N 3.13Å; E72-H99 WeakPolarHBondContact OE2-CB 3.5Å; E72-H99 PolarHBondContact OE2-N 3.38Å; E72-Y123 HydrophobicContact CB-CD1 3.54Å; E72-Y123 HydrophobicContact CB-CD2 4.36Å; E72-Y123 HydrophobicContact CB-CE1 3.35Å; E72-Y123 HydrophobicContact CB-CE2 4.22Å; E72-Y123 HydrophobicContact CB-CG 4.04Å; E72-Y123 HydrophobicContact CG-CD1 4.38Å; E72-Y123 HydrophobicContact CG-CE1 3.8Å
73I98.5Very high98.4Very high0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-60.3-29.2178.4-155.9-179.1000111.8L69 A70 E71 E75 N77 L81 I84 F96 Y123L69-I73 HydrophobicContact CB-CG2 4.28Å; L69-I73 HydrophobicContact CD1-CG2 4.48Å; L69-I73 HydrophobicContact CD2-CD1 4.46Å; A70-I73 VanDerWaalsContact O-CB 3.32Å; A70-I73 WeakPolarHBondContact O-CB 3.38Å; A70-I73 WeakPolarHBondContact O-CG2 3.42Å; A70-I73 PolarHBondContact O-N 3.41Å; E71-I73 PolarHBondContact O-N 2.89Å; E71-I73 VanDerWaalsContact O-N 3.1Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.18Å; I73-N77 HydrophobicContact CG1-CB 3.92Å; I73-N77 CarbonylContact O-C 3.59Å; I73-N77 WeakPolarHBondContact O-CA 3.28Å; I73-N77 PolarHBondContact O-N 3.48Å; I73-L81 HydrophobicContact CD1-CB 4.23Å; I73-L81 HydrophobicContact CG1-CB 4.32Å; I73-L81 HydrophobicContact CG2-CB 4.43Å; I73-L81 HydrophobicContact CG2-CD1 4.13Å; I73-L81 HydrophobicContact CG2-CD2 4.28Å; I73-I84 HydrophobicContact CD1-CD1 3.93Å; I73-F96 HydrophobicContact CG2-CD1 4.34Å; I73-F96 HydrophobicContact CG2-CE1 3.9Å; I73-Y123 WeakPolarHBondContact CD1-O 3.49Å
74K98.2Very high98.4Very high78 Ų7848.2 Ų48.234%0.33923%0.234SC..Hα-helixtrans-63.8-39.6-178.3-65.6175.6-171.9166.70111.9E71 E72 L81 F96E71-K74 WeakPolarHBondContact O-CB 3.36Å; E71-K74 WeakPolarHBondContact O-CG 3.48Å; E71-K74 PolarHBondContact O-N 3.09Å; E71-K74 VanDerWaalsContact O-N 3.14Å; E71-K74 WeakPolarHBondContact OE1-CD 3.49Å; E71-K74 WeakPolarHBondContact OE1-CE 3.28Å; E71-K74 IonicContact OE1-NZ 2.82Å; E71-K74 PolarHBondContact OE1-NZ 2.99Å; E71-K74 IonicContact OE2-NZ 3.57Å; E71-K74 PolarHBondContact OE2-NZ 2.9Å; E72-K74 PolarHBondContact O-N 3.39Å; K74-L81 HydrophobicContact CG-CD2 4.04Å; K74-F96 HydrophobicContact CD-CD1 4.43Å; K74-F96 HydrophobicContact CD-CE1 4.33Å; K74-F96 HydrophobicContact CD-CZ 4.49Å; K74-F96 HydrophobicContact CG-CD1 4.37Å; K74-F96 HydrophobicContact CG-CE1 3.98Å; K74-F96 HydrophobicContact CG-CZ 4.36Å
75E98Very high98.4Very high162 Ų16253 Ų5376%0.75726%0.255SS*.Hα-helixtrans-93.9-40.4-176.2-62-173.817000111.7E72 I73E72-E75 PolarHBondContact O-N 2.92Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-E75 PolarHBondContact O-N 3.18Å
76H97.9Very high98.4Very high110 Ų11058.3 Ų58.351%0.50928%0.279SS..Hα-helixtrans-97.8-17.8-170-64.6-57.6000114.4E72 Y123E72-H76 WeakPolarHBondContact O-CB 3.33Å; E72-H76 PolarHBondContact O-CD2 3.23Å; E72-H76 PolarHBondContact O-N 2.95Å; H76-Y123 HydrophobicContact CB-CD2 3.48Å; H76-Y123 VanDerWaalsContact CB-CD2 3.48Å; H76-Y123 HydrophobicContact CB-CE2 3.37Å; H76-Y123 AromaticContact CD2-CE2 3.59Å; H76-Y123 AromaticContact CD2-CZ 3.91Å; H76-Y123 AromaticContact CG-CE2 3.63Å
77N98.1Very high98.4Very high9 Ų959.5 Ų59.55%0.04829%0.287CS..  trans-146.956.5179.2-164.9-0.1000113.2I73 T79 Q80 L81 T121 P122 S124I73-N77 HydrophobicContact CG1-CB 3.92Å; I73-N77 CarbonylContact O-C 3.59Å; I73-N77 WeakPolarHBondContact O-CA 3.28Å; I73-N77 PolarHBondContact O-N 3.48Å; N77-T79 PolarHBondContact O-N 2.86Å; N77-Q80 HydrophobicContact CB-CB 4.39Å; N77-Q80 WeakPolarHBondContact ND2-CB 3.22Å; N77-Q80 PolarHBondContact O-N 2.82Å; N77-Q80 WeakPolarHBondContact OD1-CB 3.19Å; N77-Q80 PolarHBondContact OD1-N 2.96Å; N77-L81 PolarHBondContact O-N 2.78Å; N77-L81 VanDerWaalsContact O-N 3.12Å; N77-T121 WeakPolarHBondContact ND2-CG2 3.35Å; N77-P122 WeakPolarHBondContact CB-O 3.3Å; N77-P122 PolarHBondContact ND2-O 2.98Å; N77-S124 PolarHBondContact ND2-OG 3.17Å; N77-S124 VanDerWaalsContact ND2-OG 3.1Å
78P98.2Very high98.3Very high63 Ų6360.4 Ų60.441%0.40929%0.292SS..Hα-helixtrans-62.3-29.4-177.625.4-35.2000112.9L81 Q82P78-L81 PolarHBondContact O-N 2.67Å; P78-Q82 WeakPolarHBondContact O-CG 3.47Å; P78-Q82 PolarHBondContact O-N 2.92Å
79T98.4Very high98.2Very high90 Ų9061.2 Ų61.255%0.55231%0.305SS*.Hα-helixtrans-65.4-48.5177-54.80000111.4N77 L81 Q82 Q83N77-T79 PolarHBondContact O-N 2.86Å; T79-L81 VanDerWaalsContact C-N 3.31Å; T79-L81 PolarHBondContact O-N 3.04Å; T79-Q82 WeakPolarHBondContact O-CB 3.43Å; T79-Q82 PolarHBondContact O-N 3.16Å; T79-Q83 WeakPolarHBondContact O-CG 3.32Å; T79-Q83 PolarHBondContact O-N 3.33Å
80Q98.5Very high98Very high8 Ų867.2 Ų67.24%0.03735%0.346CS..Hα-helixtrans-64.5-39.2177.2-166.869.960.800111.2F51 N77 Q82 Q83 I84F51-Q80 HydrophobicContact CD1-CG 4.26Å; F51-Q80 HydrophobicContact CE1-CG 4.36Å; N77-Q80 HydrophobicContact CB-CB 4.39Å; N77-Q80 WeakPolarHBondContact ND2-CB 3.22Å; N77-Q80 PolarHBondContact O-N 2.82Å; N77-Q80 WeakPolarHBondContact OD1-CB 3.19Å; N77-Q80 PolarHBondContact OD1-N 2.96Å; Q80-Q82 VanDerWaalsContact C-N 3.3Å; Q80-Q82 PolarHBondContact O-N 3.43Å; Q80-Q83 PolarHBondContact O-N 3.07Å; Q80-Q83 VanDerWaalsContact O-N 3.16Å; Q80-I84 HydrophobicContact CG-CD1 4.21Å; Q80-I84 VanDerWaalsContact O-CG1 3.31Å; Q80-I84 WeakPolarHBondContact O-CG1 3.28Å; Q80-I84 PolarHBondContact O-N 2.9Å
81L98.7Very high97.9Very high16 Ų1675.4 Ų75.48%0.08439%0.385CS..Hα-helixtrans-58.5-42.2174.7178.360.7000111.7L69 I73 K74 N77 P78 T79 I84 K85 F96L69-L81 HydrophobicContact CD1-CD1 3.61Å; I73-L81 HydrophobicContact CD1-CB 4.23Å; I73-L81 HydrophobicContact CG1-CB 4.32Å; I73-L81 HydrophobicContact CG2-CB 4.43Å; I73-L81 HydrophobicContact CG2-CD1 4.13Å; I73-L81 HydrophobicContact CG2-CD2 4.28Å; K74-L81 HydrophobicContact CG-CD2 4.04Å; N77-L81 PolarHBondContact O-N 2.78Å; N77-L81 VanDerWaalsContact O-N 3.12Å; P78-L81 PolarHBondContact O-N 2.67Å; T79-L81 VanDerWaalsContact C-N 3.31Å; T79-L81 PolarHBondContact O-N 3.04Å; L81-I84 PolarHBondContact O-N 2.98Å; L81-K85 WeakPolarHBondContact O-CG 3.45Å; L81-K85 PolarHBondContact O-N 2.82Å; L81-F96 HydrophobicContact CD1-CE1 4.14Å; L81-F96 HydrophobicContact CD1-CZ 4.19Å
82Q98.4Very high97.9Very high122 Ų12272.5 Ų72.557%0.5737%0.372SS*.Hα-helixtrans-63.7-42.7174.8-76-179.4-5.800112P78 T79 Q80 K85 Q86P78-Q82 WeakPolarHBondContact O-CG 3.47Å; P78-Q82 PolarHBondContact O-N 2.92Å; T79-Q82 WeakPolarHBondContact O-CB 3.43Å; T79-Q82 PolarHBondContact O-N 3.16Å; Q80-Q82 VanDerWaalsContact C-N 3.3Å; Q80-Q82 PolarHBondContact O-N 3.43Å; Q82-K85 PolarHBondContact O-N 2.85Å; Q82-Q86 WeakPolarHBondContact O-CG 3.46Å; Q82-Q86 PolarHBondContact O-N 2.89Å
83Q98.6Very high97.8Very high69 Ų6975.1 Ų75.132%0.32238%0.384SS..Hα-helixtrans-63.5-40.9177.1-67.5176.5-49.700112.1I52 T79 Q80 K85 Q86 L87I52-Q83 HydrophobicContact CD1-CB 3.62Å; I52-Q83 HydrophobicContact CG1-CB 4.08Å; T79-Q83 WeakPolarHBondContact O-CG 3.32Å; T79-Q83 PolarHBondContact O-N 3.33Å; Q80-Q83 PolarHBondContact O-N 3.07Å; Q80-Q83 VanDerWaalsContact O-N 3.16Å; Q83-K85 PolarHBondContact O-N 3.15Å; Q83-Q86 WeakPolarHBondContact O-CB 3.41Å; Q83-Q86 PolarHBondContact O-N 3.34Å; Q83-L87 PolarHBondContact O-N 3.32Å
84I98.7Very high97.9Very high0 Ų077.1 Ų77.10%039%0.394CS..Hα-helixtrans-59.6-47.4174.4-68.8164.5000110.2F51 L55 I67 L69 I73 Q80 L81 Q86 L87 I88 I126F51-I84 HydrophobicContact CE1-CD1 3.82Å; F51-I84 HydrophobicContact CE1-CG1 3.84Å; F51-I84 HydrophobicContact CZ-CD1 4.11Å; F51-I84 HydrophobicContact CZ-CG1 4.45Å; L55-I84 HydrophobicContact CD2-CB 4.48Å; L55-I84 HydrophobicContact CD2-CG1 3.88Å; L55-I84 HydrophobicContact CD2-CG2 4.37Å; I67-I84 HydrophobicContact CD1-CG2 3.71Å; L69-I84 HydrophobicContact CD1-CD1 4.41Å; L69-I84 HydrophobicContact CD1-CG2 4.44Å; L69-I84 HydrophobicContact CD2-CD1 3.95Å; I73-I84 HydrophobicContact CD1-CD1 3.93Å; Q80-I84 HydrophobicContact CG-CD1 4.21Å; Q80-I84 VanDerWaalsContact O-CG1 3.31Å; Q80-I84 WeakPolarHBondContact O-CG1 3.28Å; Q80-I84 PolarHBondContact O-N 2.9Å; L81-I84 PolarHBondContact O-N 2.98Å; I84-Q86 PolarHBondContact O-N 2.75Å; I84-L87 PolarHBondContact O-N 3.04Å; I84-I88 HydrophobicContact CG2-CD1 4.44Å; I84-I88 PolarHBondContact O-N 3.23Å; I84-I126 HydrophobicContact CG2-CD1 4.1Å
85K98.3Very high97.9Very high110 Ų11075.6 Ų75.648%0.47839%0.389SS..Hα-helixtrans-62.7-23.9177.8-74.5-179.3175.6-173.50113.9L81 Q82 Q83 I94L81-K85 WeakPolarHBondContact O-CG 3.45Å; L81-K85 PolarHBondContact O-N 2.82Å; Q82-K85 PolarHBondContact O-N 2.85Å; Q83-K85 PolarHBondContact O-N 3.15Å; K85-I94 HydrophobicContact CG-CD1 3.93Å
86Q98.2Very high97.9Very high156 Ų15670.4 Ų70.473%0.72937%0.365SS*.Hα-helixtrans-79.6-22.8174.9-72.9170.9-7.400112.9Q82 Q83 I84Q82-Q86 WeakPolarHBondContact O-CG 3.46Å; Q82-Q86 PolarHBondContact O-N 2.89Å; Q83-Q86 WeakPolarHBondContact O-CB 3.41Å; Q83-Q86 PolarHBondContact O-N 3.34Å; I84-Q86 PolarHBondContact O-N 2.75Å
87L98.2Very high97.9Very high68 Ų6865.8 Ų65.836%0.35634%0.343SS..Hα-helixtrans-88.3-26179.7-70-176.7000113.6I52 L55 A56 L59 Q83 I84I52-L87 HydrophobicContact CD1-CD1 3.3Å; I52-L87 HydrophobicContact CD1-CG 4.09Å; I52-L87 HydrophobicContact CG1-CD1 3.83Å; L55-L87 HydrophobicContact CB-CD1 4.26Å; L55-L87 HydrophobicContact CD2-CD1 3.97Å; L55-L87 HydrophobicContact CG-CD1 3.9Å; A56-L87 HydrophobicContact CB-CD1 3.94Å; A56-L87 HydrophobicContact CB-CD2 3.96Å; L59-L87 HydrophobicContact CD1-CB 3.95Å; Q83-L87 PolarHBondContact O-N 3.32Å; I84-L87 PolarHBondContact O-N 3.04Å
88I97.7Very high97.9Very high19 Ų1968.7 Ų68.710%0.09736%0.362CS..SBendtrans-102.6151.1-178.270.5-177.4000111.2L59 I64 I67 I84 I92 I94L59-I88 HydrophobicContact CD1-CG2 3.97Å; I64-I88 HydrophobicContact CD1-CG2 4.13Å; I67-I88 HydrophobicContact CD1-CD1 3.55Å; I67-I88 HydrophobicContact CG1-CD1 4.22Å; I84-I88 HydrophobicContact CG2-CD1 4.44Å; I84-I88 PolarHBondContact O-N 3.23Å; I88-I92 HydrophobicContact CB-CB 4.36Å; I88-I92 HydrophobicContact CB-CG1 4.3Å; I88-I92 HydrophobicContact CD1-CB 4.26Å; I88-I92 HydrophobicContact CD1-CG2 4.12Å; I88-I92 HydrophobicContact CG1-CB 4.48Å; I88-I94 HydrophobicContact CD1-CD1 3.93Å; I88-I94 HydrophobicContact CD1-CG1 4Å
89S95.3Very high97.9Very high64 Ų6467.1 Ų67.145%0.44835%0.35SS..  trans-61.5148.6171.4172.80000111E91 I92S89-E91 PolarHBondContact O-N 2.56Å; S89-E91 VanDerWaalsContact O-N 3.14Å; S89-E91 PolarHBondContact OG-N 3.32Å; S89-I92 WeakPolarHBondContact O-CB 3.22Å; S89-I92 PolarHBondContact O-N 2.79Å; S89-I92 VanDerWaalsContact O-N 3.07Å
90S95Very high97.8Very high125 Ų12568.5 Ų68.587%0.87435%0.35SS*.THydrogen-bonded Turntrans-63.7-14.2174.353.70000113.9
91E95.6Very high97.8Very high172 Ų17272.4 Ų72.480%0.80437%0.368SS*.THydrogen-bonded Turntrans-82.2-16.2176.1-61.3179.717500112.7S89 E93S89-E91 PolarHBondContact O-N 2.56Å; S89-E91 VanDerWaalsContact O-N 3.14Å; S89-E91 PolarHBondContact OG-N 3.32Å; E91-E93 PolarHBondContact O-N 3.3Å
92I98.1Very high97.8Very high28 Ų2872 Ų7214%0.14437%0.366CS..SBendtrans-72.1122.2178.1-59.3-54.8000109.6I64 I67 I88 S89 I94I64-I92 HydrophobicContact CD1-CD1 4.5Å; I64-I92 HydrophobicContact CD1-CG1 4.35Å; I64-I92 HydrophobicContact CD1-CG2 3.96Å; I64-I92 HydrophobicContact CG1-CD1 4.07Å; I64-I92 HydrophobicContact CG1-CG1 4.41Å; I64-I92 WeakPolarHBondContact O-CD1 3.44Å; I67-I92 HydrophobicContact CG2-CG2 4.15Å; I88-I92 HydrophobicContact CB-CB 4.36Å; I88-I92 HydrophobicContact CB-CG1 4.3Å; I88-I92 HydrophobicContact CD1-CB 4.26Å; I88-I92 HydrophobicContact CD1-CG2 4.12Å; I88-I92 HydrophobicContact CG1-CB 4.48Å; S89-I92 WeakPolarHBondContact O-CB 3.22Å; S89-I92 PolarHBondContact O-N 2.79Å; S89-I92 VanDerWaalsContact O-N 3.07Å; I92-I94 PolarHBondContact O-N 2.81Å
93E98.1Very high97.7Very high108 Ų10869.1 Ų69.151%0.50535%0.352SS..EExtended strand (participates in β ladder)trans-67.5131.7176.1-176-176.8-158.400110.1Q65 K66 I67 E91 I95Q65-E93 PolarHBondContact O-N 2.91Å; K66-E93 CarbonylContact C-O 3.42Å; K66-E93 WeakPolarHBondContact CA-O 3.42Å; K66-E93 HydrophobicContact CB-CB 3.87Å; K66-E93 WeakPolarHBondContact CB-O 3.35Å; K66-E93 IonicContact NZ-OE2 2.81Å; I67-E93 PolarHBondContact N-O 2.73Å; E91-E93 PolarHBondContact O-N 3.3Å; E93-I95 HydrophobicContact CG-CG1 3.98Å
94I98.7Very high97.6Very high43 Ų4370 Ų7022%0.22137%0.366CS..EExtended strand (participates in β ladder)trans-108.5109.6173.2-51.3-179.9000108I67 L69 K85 I88 I92 F96I67-I94 HydrophobicContact CD1-CD1 4.44Å; I67-I94 HydrophobicContact CD1-CG1 4.06Å; I67-I94 HydrophobicContact CD1-CG2 4.21Å; I67-I94 HydrophobicContact CG1-CB 4.25Å; I67-I94 HydrophobicContact CG1-CG1 3.98Å; I67-I94 HydrophobicContact CG1-CG2 4.08Å; L69-I94 HydrophobicContact CD1-CG2 3.8Å; L69-I94 HydrophobicContact CG-CG2 4.3Å; K85-I94 HydrophobicContact CG-CD1 3.93Å; I88-I94 HydrophobicContact CD1-CD1 3.93Å; I88-I94 HydrophobicContact CD1-CG1 4Å; I92-I94 PolarHBondContact O-N 2.81Å; I94-F96 HydrophobicContact CB-CE2 4.3Å; I94-F96 HydrophobicContact CG2-CD2 4.24Å; I94-F96 HydrophobicContact CG2-CE1 4.08Å; I94-F96 HydrophobicContact CG2-CE2 3.66Å; I94-F96 HydrophobicContact CG2-CZ 3.57Å
95I98.6Very high97.5Very high45 Ų4572.5 Ų72.523%0.23138%0.379CS..EExtended strand (participates in β ladder)trans-95.8126.9174.4-57.1-175.5000108.2K66 I67 Y68 L69 E93 I97K66-I95 HydrophobicContact CD-CD1 3.59Å; K66-I95 HydrophobicContact CD-CG1 4.35Å; I67-I95 PolarHBondContact O-N 3.29Å; Y68-I95 VanDerWaalsContact CA-O 3.28Å; Y68-I95 WeakPolarHBondContact CA-O 2.99Å; Y68-I95 HydrophobicContact CD1-CB 3.74Å; Y68-I95 HydrophobicContact CD1-CD1 4.4Å; Y68-I95 HydrophobicContact CD1-CG2 3.87Å; Y68-I95 HydrophobicContact CE1-CB 3.98Å; Y68-I95 HydrophobicContact CE1-CD1 3.74Å; Y68-I95 HydrophobicContact CE1-CG1 4.36Å; Y68-I95 HydrophobicContact CE1-CG2 4.05Å; L69-I95 PolarHBondContact N-O 2.92Å; E93-I95 HydrophobicContact CG-CG1 3.98Å; I95-I97 HydrophobicContact CG2-CG2 4.09Å
96F98.6Very high97.5Very high54 Ų5467.4 Ų67.424%0.23736%0.357CS..EExtended strand (participates in β ladder)trans-100.3131.1174.3-63.1-86.6000110.1L69 E71 I73 K74 L81 I94L69-F96 HydrophobicContact CB-CD1 3.96Å; L69-F96 HydrophobicContact CB-CE1 4.07Å; L69-F96 HydrophobicContact CD1-CE1 4.07Å; L69-F96 WeakPolarHBondContact O-CA 3.34Å; E71-F96 HydrophobicContact CB-CB 4.38Å; E71-F96 WeakPolarHBondContact OE2-CB 3.35Å; I73-F96 HydrophobicContact CG2-CD1 4.34Å; I73-F96 HydrophobicContact CG2-CE1 3.9Å; K74-F96 HydrophobicContact CD-CD1 4.43Å; K74-F96 HydrophobicContact CD-CE1 4.33Å; K74-F96 HydrophobicContact CD-CZ 4.49Å; K74-F96 HydrophobicContact CG-CD1 4.37Å; K74-F96 HydrophobicContact CG-CE1 3.98Å; K74-F96 HydrophobicContact CG-CZ 4.36Å; L81-F96 HydrophobicContact CD1-CE1 4.14Å; L81-F96 HydrophobicContact CD1-CZ 4.19Å; I94-F96 HydrophobicContact CB-CE2 4.3Å; I94-F96 HydrophobicContact CG2-CD2 4.24Å; I94-F96 HydrophobicContact CG2-CE1 4.08Å; I94-F96 HydrophobicContact CG2-CE2 3.66Å; I94-F96 HydrophobicContact CG2-CZ 3.57Å
97I98.4Very high97.4Very high13 Ų1362.5 Ų62.57%0.06734%0.343CS..EExtended strand (participates in β ladder)trans-129.3157.3-179.260.2173.8000109.6Y68 L69 A70 E71 I95 E101 M102Y68-I97 HydrophobicContact CD1-CG2 4.35Å; L69-I97 PolarHBondContact O-N 3.43Å; A70-I97 CarbonylContact C-O 3.59Å; A70-I97 VanDerWaalsContact CA-O 3.23Å; A70-I97 WeakPolarHBondContact CA-O 3.32Å; E71-I97 PolarHBondContact N-O 3.25Å; I95-I97 HydrophobicContact CG2-CG2 4.09Å; I97-E101 HydrophobicContact CB-CB 4.46Å; I97-E101 HydrophobicContact CD1-CB 4.37Å; I97-E101 HydrophobicContact CD1-CG 4.31Å; I97-M102 HydrophobicContact CD1-CB 3.96Å; I97-M102 HydrophobicContact CD1-CG 4.45Å; I97-M102 HydrophobicContact CG1-CB 4.41Å
98P98.2Very high97.3Very high69 Ų6962.7 Ų62.745%0.44834%0.342SS..  trans-57.1143.6172.6-24.234.9000112.2E100 E101 M102P98-E100 PolarHBondContact O-N 2.97Å; P98-E100 VanDerWaalsContact O-N 3.17Å; P98-E101 HydrophobicContact CB-CB 4.4Å; P98-E101 WeakPolarHBondContact O-CB 3.14Å; P98-E101 PolarHBondContact O-N 2.98Å; P98-M102 PolarHBondContact O-N 3.36Å
99H97.6Very high97.3Very high30 Ų3067.1 Ų67.114%0.13937%0.372CS..Hα-helixtrans-56.9-34.2178.7-178.461.3000113A70 E72 M102 K103 Y123A70-H99 HydrophobicContact CB-CB 4.02Å; E72-H99 VanDerWaalsContact CD-CB 3.48Å; E72-H99 HydrophobicContact CG-CB 4.48Å; E72-H99 VanDerWaalsContact OE1-CB 3.27Å; E72-H99 WeakPolarHBondContact OE1-CB 3.3Å; E72-H99 PolarHBondContact OE1-N 3.19Å; E72-H99 VanDerWaalsContact OE1-N 3.13Å; E72-H99 WeakPolarHBondContact OE2-CB 3.5Å; E72-H99 PolarHBondContact OE2-N 3.38Å; H99-M102 VanDerWaalsContact ND1-CE 3.25Å; H99-M102 WeakPolarHBondContact ND1-CE 3.29Å; H99-M102 WeakPolarHBondContact O-CB 3.28Å; H99-M102 PolarHBondContact O-N 3.46Å; H99-K103 WeakPolarHBondContact CD2-CE 3.5Å; H99-K103 WeakPolarHBondContact NE2-CE 3.4Å; H99-K103 PolarHBondContact O-N 3.17Å; H99-K103 VanDerWaalsContact O-N 3.16Å; H99-Y123 HydrophobicContact CB-CD1 4.42Å; H99-Y123 HydrophobicContact CB-CE1 4.23Å; H99-Y123 AromaticContact ND1-CD1 3.97Å
100E97.1Very high97.4Very high119 Ų11967.3 Ų67.356%0.55637%0.368SS*.Hα-helixtrans-63.5-39174.4-68.5-54.9129.600112.7P98 M102 K103 S104P98-E100 PolarHBondContact O-N 2.97Å; P98-E100 VanDerWaalsContact O-N 3.17Å; E100-M102 VanDerWaalsContact C-N 3.32Å; E100-M102 PolarHBondContact O-N 3.22Å; E100-K103 WeakPolarHBondContact O-CB 3.34Å; E100-K103 PolarHBondContact O-N 3.48Å; E100-K103 IonicContact OE1-NZ 3.63Å; E100-K103 PolarHBondContact OE1-NZ 3.39Å; E100-K103 IonicContact OE2-NZ 3.32Å; E100-S104 PolarHBondContact O-N 2.63Å; E100-S104 VanDerWaalsContact O-N 3.17Å; E100-S104 PolarHBondContact O-OG 2.98Å
101E97.7Very high97.5Very high91 Ų9161.6 Ų61.643%0.42533%0.327SS..Hα-helixtrans-64.5-41.3176.3-170.9-177.8141.100110.7I97 P98 K103 S104 N105I97-E101 HydrophobicContact CB-CB 4.46Å; I97-E101 HydrophobicContact CD1-CB 4.37Å; I97-E101 HydrophobicContact CD1-CG 4.31Å; P98-E101 HydrophobicContact CB-CB 4.4Å; P98-E101 WeakPolarHBondContact O-CB 3.14Å; P98-E101 PolarHBondContact O-N 2.98Å; E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 2.91Å; E101-S104 WeakPolarHBondContact O-CB 3.47Å; E101-S104 PolarHBondContact O-N 3.42Å; E101-S104 VanDerWaalsContact O-N 3.12Å; E101-N105 WeakPolarHBondContact O-CB 3.4Å; E101-N105 VanDerWaalsContact O-CG 3.25Å; E101-N105 PolarHBondContact O-N 3Å
102M97.6Very high97.7Very high7 Ų756.4 Ų56.43%0.03430%0.302CS..Hα-helixtrans-60.8-35.3176.2-165.7174.560.500112.3M31 A70 I97 P98 H99 E100 N105 L106 N125M31-M102 HydrophobicContact CE-CB 4.33Å; M31-M102 HydrophobicContact CE-CE 3.91Å; M31-M102 HydrophobicContact CE-CG 3.97Å; M31-M102 HydrophobicContact SD-CE 4.48Å; A70-M102 HydrophobicContact CB-CE 3.83Å; A70-M102 HydrophobicContact CB-SD 4.34Å; I97-M102 HydrophobicContact CD1-CB 3.96Å; I97-M102 HydrophobicContact CD1-CG 4.45Å; I97-M102 HydrophobicContact CG1-CB 4.41Å; P98-M102 PolarHBondContact O-N 3.36Å; H99-M102 VanDerWaalsContact ND1-CE 3.25Å; H99-M102 WeakPolarHBondContact ND1-CE 3.29Å; H99-M102 WeakPolarHBondContact O-CB 3.28Å; H99-M102 PolarHBondContact O-N 3.46Å; E100-M102 VanDerWaalsContact C-N 3.32Å; E100-M102 PolarHBondContact O-N 3.22Å; M102-N105 PolarHBondContact O-N 2.93Å; M102-L106 PolarHBondContact O-N 3.43Å; M102-N125 HydrophobicContact CE-CB 3.28Å; M102-N125 HydrophobicContact SD-CB 3.69Å
103K97.4Very high97.7Very high62 Ų6255 Ų5527%0.2730%0.295SS..Hα-helixtrans-64-45.5172.8-67.1173-173.8168.50111.8M31 P32 H99 E100 E101 N105 L106M31-K103 HydrophobicContact CE-CB 4.39Å; M31-K103 HydrophobicContact CE-CG 3.9Å; M31-K103 HydrophobicContact SD-CG 4.07Å; P32-K103 HydrophobicContact CG-CB 4.45Å; P32-K103 HydrophobicContact CG-CD 3.98Å; P32-K103 HydrophobicContact CG-CG 3.95Å; H99-K103 WeakPolarHBondContact CD2-CE 3.5Å; H99-K103 WeakPolarHBondContact NE2-CE 3.4Å; H99-K103 PolarHBondContact O-N 3.17Å; H99-K103 VanDerWaalsContact O-N 3.16Å; E100-K103 WeakPolarHBondContact O-CB 3.34Å; E100-K103 PolarHBondContact O-N 3.48Å; E100-K103 IonicContact OE1-NZ 3.63Å; E100-K103 PolarHBondContact OE1-NZ 3.39Å; E100-K103 IonicContact OE2-NZ 3.32Å; E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 2.91Å; K103-N105 VanDerWaalsContact C-N 3.27Å; K103-N105 PolarHBondContact O-N 3Å; K103-L106 WeakPolarHBondContact O-CB 3.42Å; K103-L106 WeakPolarHBondContact O-CG 2.82Å; K103-L106 PolarHBondContact O-N 3.12Å
104S96.2Very high97.7Very high88 Ų8849.9 Ų49.962%0.61527%0.271SS*.Hα-helixtrans-62.1-37.1176.6-61.40000111.9E100 E101 L106 A107E100-S104 PolarHBondContact O-N 2.63Å; E100-S104 VanDerWaalsContact O-N 3.17Å; E100-S104 PolarHBondContact O-OG 2.98Å; E101-S104 WeakPolarHBondContact O-CB 3.47Å; E101-S104 PolarHBondContact O-N 3.42Å; E101-S104 VanDerWaalsContact O-N 3.12Å; S104-L106 PolarHBondContact O-N 3.31Å; S104-A107 PolarHBondContact O-N 3.33Å
105N96.4Very high97.7Very high51 Ų5147.9 Ų47.927%0.27326%0.26SS..Hα-helixtrans-70-14.7-178.6-70.5-14.1000114.1E101 M102 K103 A107 H108E101-N105 WeakPolarHBondContact O-CB 3.4Å; E101-N105 VanDerWaalsContact O-CG 3.25Å; E101-N105 PolarHBondContact O-N 3Å; M102-N105 PolarHBondContact O-N 2.93Å; K103-N105 VanDerWaalsContact C-N 3.27Å; K103-N105 PolarHBondContact O-N 3Å; N105-A107 PolarHBondContact O-N 3.02Å; N105-A107 VanDerWaalsContact O-N 3.16Å; N105-H108 WeakPolarHBondContact O-CB 3.42Å; N105-H108 PolarHBondContact O-N 3.4Å
106L97.8Very high97.7Very high3 Ų348.4 Ų48.42%0.01626%0.26CS..THydrogen-bonded Turntrans-57.6-30.8173-61.1-179.6000112.6T25 M31 I33 M102 K103 S104 N111 N114T25-L106 HydrophobicContact CG2-CD2 4.38Å; M31-L106 HydrophobicContact CE-CD1 3.86Å; M31-L106 HydrophobicContact CE-CD2 3.86Å; M31-L106 HydrophobicContact CE-CG 3.94Å; M31-L106 HydrophobicContact CG-CD1 3.89Å; M31-L106 HydrophobicContact CG-CD2 4.45Å; I33-L106 HydrophobicContact CG1-CD1 4.17Å; M102-L106 PolarHBondContact O-N 3.43Å; K103-L106 WeakPolarHBondContact O-CB 3.42Å; K103-L106 WeakPolarHBondContact O-CG 2.82Å; K103-L106 PolarHBondContact O-N 3.12Å; S104-L106 PolarHBondContact O-N 3.31Å; L106-N111 PolarHBondContact O-ND2 3.28Å; L106-N114 VanDerWaalsContact CD2-OD1 3.29Å; L106-N114 WeakPolarHBondContact CD2-OD1 3.47Å; L106-N114 PolarHBondContact O-ND2 3Å
107A96.5Very high97.7Very high54 Ų5445.9 Ų45.945%0.44625%0.248SC..THydrogen-bonded Turntrans-88.6-4.1179.300000113.8R38 S104 N105R38-A107 PolarHBondContact NH1-O 2.76Å; S104-A107 PolarHBondContact O-N 3.33Å; N105-A107 PolarHBondContact O-N 3.02Å; N105-A107 VanDerWaalsContact O-N 3.16Å
108H96.9Very high97.7Very high71 Ų7145.3 Ų45.333%0.32925%0.246SC..  trans-54.1139.1-172.6-167.7-95.3000112.2R38 N105 L110 N111R38-H108 PolarHBondContact NH1-O 2.67Å; N105-H108 WeakPolarHBondContact O-CB 3.42Å; N105-H108 PolarHBondContact O-N 3.4Å; H108-L110 WeakPolarHBondContact ND1-CB 3.5Å; H108-L110 PolarHBondContact ND1-N 2.89Å; H108-L110 PolarHBondContact O-N 2.89Å; H108-N111 HydrophobicContact CB-CB 4.47Å; H108-N111 VanDerWaalsContact O-CB 3.3Å; H108-N111 WeakPolarHBondContact O-CB 3.39Å; H108-N111 PolarHBondContact O-N 3.16Å
109P96.9Very high97.8Very high112 Ų11242.4 Ų42.473%0.72723%0.226SC*.THydrogen-bonded Turntrans-60.2-28-177-2735.8000115.1N111P109-N111 VanDerWaalsContact C-N 3.28Å
110L97.8Very high97.8Very high69 Ų6944.4 Ų44.436%0.36124%0.241SC..THydrogen-bonded Turntrans-77.9-12.2176.9-59.9-179.5000113.2L23 H108 K112L23-L110 HydrophobicContact CD1-CB 4.46Å; L23-L110 HydrophobicContact CG-CB 4.33Å; L23-L110 PolarHBondContact N-O 3.1Å; H108-L110 WeakPolarHBondContact ND1-CB 3.5Å; H108-L110 PolarHBondContact ND1-N 2.89Å; H108-L110 PolarHBondContact O-N 2.89Å; L110-K112 PolarHBondContact O-N 2.94Å
111N98.1Very high97.8Very high4 Ų441.1 Ų41.12%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-79.1117.3-177.5-1737.9000112.1L23 R38 L106 H108 P109 G113 N114L23-N111 HydrophobicContact CB-CB 4.17Å; L23-N111 CarbonylContact O-C 3.55Å; L23-N111 WeakPolarHBondContact O-CA 3.5Å; L23-N111 PolarHBondContact O-OD1 2.97Å; R38-N111 WeakPolarHBondContact CD-O 3.44Å; L106-N111 PolarHBondContact O-ND2 3.28Å; H108-N111 HydrophobicContact CB-CB 4.47Å; H108-N111 VanDerWaalsContact O-CB 3.3Å; H108-N111 WeakPolarHBondContact O-CB 3.39Å; H108-N111 PolarHBondContact O-N 3.16Å; P109-N111 VanDerWaalsContact C-N 3.28Å; N111-G113 PolarHBondContact OD1-N 3.39Å; N111-G113 VanDerWaalsContact OD1-N 3.16Å; N111-G113 PolarHBondContact OD1-O 2.96Å; N111-N114 PolarHBondContact ND2-ND2 2.82Å; N111-N114 PolarHBondContact ND2-OD1 2.8Å
112K98.3Very high97.8Very high63 Ų6340.3 Ų40.327%0.27423%0.232SC..EExtended strand (participates in β ladder)trans-89.3-13.5-177.7-54-51178-1610113.9I18 D22 L23 L110I18-K112 HydrophobicContact CG1-CB 4.34Å; I18-K112 HydrophobicContact CG1-CG 3.94Å; D22-K112 HydrophobicContact CB-CG 4.23Å; D22-K112 VanDerWaalsContact CG-NZ 3.27Å; D22-K112 WeakPolarHBondContact OD1-CE 3.36Å; D22-K112 IonicContact OD1-NZ 3.21Å; D22-K112 PolarHBondContact OD1-NZ 3.17Å; D22-K112 WeakPolarHBondContact OD2-CE 3.33Å; D22-K112 IonicContact OD2-NZ 3.32Å; D22-K112 PolarHBondContact OD2-NZ 3.47Å; L23-K112 PolarHBondContact O-N 3.04Å; L110-K112 PolarHBondContact O-N 2.94Å
113G98.5Very high97.8Very high0 Ų042.7 Ų42.70%024%0.241CC..EExtended strand (participates in β ladder)trans-173.9143.9-178.700000113.1L24 T25 R38 N111L24-G113 WeakPolarHBondContact CD1-O 3.28Å; T25-G113 PolarHBondContact N-O 3.3Å; R38-G113 CarbonylContact O-C 3.59Å; R38-G113 WeakPolarHBondContact O-CA 3.26Å; N111-G113 PolarHBondContact OD1-N 3.39Å; N111-G113 VanDerWaalsContact OD1-N 3.16Å; N111-G113 PolarHBondContact OD1-O 2.96Å
114N98.7Very high97.9Very high0 Ų039.8 Ų39.80%023%0.228CC..EExtended strand (participates in β ladder)trans-115.799.8171.8-64.3-67.4000108.7T25 I33 R38 I40 L106 N111T25-N114 WeakPolarHBondContact OG1-CA 3.21Å; T25-N114 PolarHBondContact OG1-OD1 2.72Å; I33-N114 HydrophobicContact CD1-CB 4.48Å; I33-N114 HydrophobicContact CG1-CB 4.35Å; I33-N114 HydrophobicContact CG2-CB 3.52Å; R38-N114 PolarHBondContact O-N 2.92Å; I40-N114 PolarHBondContact N-O 3.12Å; L106-N114 VanDerWaalsContact CD2-OD1 3.29Å; L106-N114 WeakPolarHBondContact CD2-OD1 3.47Å; L106-N114 PolarHBondContact O-ND2 3Å; N111-N114 PolarHBondContact ND2-ND2 2.82Å; N111-N114 PolarHBondContact ND2-OD1 2.8Å
115I98.8Very high98Very high0 Ų035.6 Ų35.60%020%0.199CC..EExtended strand (participates in β ladder)trans-81.2120.4179.7-57.3164.9000108.4I11 L24 T25 I26 N27 I40 L42 V54 V58 T117I11-I115 HydrophobicContact CD1-CD1 4.25Å; I11-I115 HydrophobicContact CG1-CD1 3.94Å; I11-I115 HydrophobicContact CG1-CG1 4.24Å; I11-I115 HydrophobicContact CG2-CD1 4.1Å; L24-I115 HydrophobicContact CD1-CD1 4.2Å; L24-I115 HydrophobicContact CD1-CG1 4.48Å; L24-I115 HydrophobicContact CD2-CD1 4.09Å; L24-I115 HydrophobicContact CG-CD1 4.2Å; T25-I115 WeakPolarHBondContact O-CB 3.34Å; T25-I115 PolarHBondContact O-N 3.29Å; I26-I115 CarbonylContact C-O 3.6Å; I26-I115 HydrophobicContact CG1-CB 4.23Å; I26-I115 HydrophobicContact CG1-CD1 3.9Å; N27-I115 PolarHBondContact N-O 2.89Å; N27-I115 PolarHBondContact ND2-O 2.9Å; N27-I115 VanDerWaalsContact ND2-O 3.15Å; I40-I115 HydrophobicContact CB-CG1 4.11Å; I40-I115 HydrophobicContact CD1-CG1 4.08Å; I40-I115 HydrophobicContact CG2-CG1 4.34Å; I40-I115 CarbonylContact O-C 3.59Å; I40-I115 WeakPolarHBondContact O-CA 3.29Å; L42-I115 HydrophobicContact CD1-CG2 3.59Å; L42-I115 HydrophobicContact CG-CG2 4.08Å; V54-I115 HydrophobicContact CG1-CG2 3.94Å; V58-I115 HydrophobicContact CG2-CD1 4.09Å; I115-T117 HydrophobicContact CG2-CG2 4.39Å
116R98.8Very high98.1Very high57 Ų5733.2 Ų33.222%0.21519%0.186CC..EExtended strand (participates in β ladder)trans-98.7122.6173.3-170.6175.2166.1-98.5-6.3109.5A29 I33 I40 D41 L42 A43A29-R116 PolarHBondContact O-NE 3.38Å; A29-R116 PolarHBondContact O-NH2 3.22Å; I33-R116 HydrophobicContact CD1-CB 3.55Å; I33-R116 HydrophobicContact CD1-CG 3.92Å; I40-R116 PolarHBondContact O-N 3.33Å; D41-R116 IonicContact OD1-CZ 2.69Å; D41-R116 IonicContact OD1-NH1 3.99Å; D41-R116 PolarHBondContact OD1-NH1 2.9Å; D41-R116 IonicContact OD2-CZ 3.88Å; D41-R116 IonicContact OD2-NH1 2.89Å; D41-R116 PolarHBondContact OD2-NH1 2.69Å; D41-R116 VanDerWaalsContact OD2-NH1 3.09Å; L42-R116 WeakPolarHBondContact CB-O 3.46Å; L42-R116 PolarHBondContact N-O 3.34Å; A43-R116 VanDerWaalsContact CB-NH1 3.31Å; A43-R116 PolarHBondContact N-O 3.1Å
117T98.9Very high98.2Very high0 Ų033.5 Ų33.50%019%0.189CC..PPolyproline II helixtrans-101.4173.8178.270.80000111.4I26 N27 A29 A43 V54 I115 E119I26-T117 HydrophobicContact CG2-CG2 3.64Å; N27-T117 WeakPolarHBondContact O-CB 3.49Å; N27-T117 PolarHBondContact O-N 3.33Å; N27-T117 PolarHBondContact O-OG1 3.26Å; A29-T117 WeakPolarHBondContact CA-O 3.43Å; A43-T117 VanDerWaalsContact CB-O 3.28Å; A43-T117 WeakPolarHBondContact CB-O 3.42Å; V54-T117 HydrophobicContact CB-CG2 4.07Å; V54-T117 HydrophobicContact CG1-CG2 4.24Å; V54-T117 HydrophobicContact CG2-CG2 3.87Å; I115-T117 HydrophobicContact CG2-CG2 4.39Å; T117-E119 PolarHBondContact O-N 2.54Å; T117-E119 VanDerWaalsContact OG1-CB 3.23Å; T117-E119 WeakPolarHBondContact OG1-CB 3.24Å; T117-E119 PolarHBondContact OG1-N 3.16Å
118G98.6Very high98.3Very high1 Ų131 Ų311%0.0117%0.168CC..SBendtrans-78.70.3170.700000113.4T45 N47 P49 T120T45-G118 WeakPolarHBondContact O-CA 3.45Å; N47-G118 WeakPolarHBondContact CA-O 3.23Å; N47-G118 PolarHBondContact N-O 2.82Å; P49-G118 WeakPolarHBondContact O-CA 3.39Å; P49-G118 PolarHBondContact O-N 3.16Å; G118-T120 PolarHBondContact O-N 2.92Å
119E98.7Very high98.4Very high8 Ų828.4 Ų28.44%0.03716%0.156CC..  trans-57.5133-174.8-174.655.7-108.600112D28 A29 N47 F51 T117 T121 S124D28-E119 HydrophobicContact CB-CB 4.22Å; D28-E119 HydrophobicContact CB-CG 4.36Å; A29-E119 VanDerWaalsContact CB-O 3.23Å; A29-E119 WeakPolarHBondContact CB-O 3.31Å; A29-E119 PolarHBondContact N-O 2.99Å; N47-E119 PolarHBondContact OD1-OE1 3.26Å; F51-E119 HydrophobicContact CB-CB 3.61Å; F51-E119 HydrophobicContact CB-CG 3.59Å; F51-E119 PolarHBondContact N-OE2 2.79Å; T117-E119 PolarHBondContact O-N 2.54Å; T117-E119 VanDerWaalsContact OG1-CB 3.23Å; T117-E119 WeakPolarHBondContact OG1-CB 3.24Å; T117-E119 PolarHBondContact OG1-N 3.16Å; E119-T121 WeakPolarHBondContact OE1-CB 3.44Å; E119-T121 PolarHBondContact OE1-N 3.33Å; E119-T121 PolarHBondContact OE1-OG1 3.37Å; E119-S124 VanDerWaalsContact CG-CB 3.5Å
120T98.2Very high98.5Very high72 Ų7223 Ų2344%0.44212%0.121SC..  trans-117.71.4179.954.80000113.1K46 N47 G118K46-T120 HydrophobicContact CB-CG2 4.06Å; K46-T120 HydrophobicContact CD-CG2 4.46Å; K46-T120 HydrophobicContact CG-CG2 3.96Å; N47-T120 PolarHBondContact OD1-N 2.69Å; N47-T120 PolarHBondContact OD1-OG1 3.14Å; G118-T120 PolarHBondContact O-N 2.92Å
121T98Very high98.5Very high51 Ų5122.5 Ų22.531%0.31312%0.119SC..SBendtrans-76.8123.1171.7-46.50000109.7N77 E119 S124N77-T121 WeakPolarHBondContact ND2-CG2 3.35Å; E119-T121 WeakPolarHBondContact OE1-CB 3.44Å; E119-T121 PolarHBondContact OE1-N 3.33Å; E119-T121 PolarHBondContact OE1-OG1 3.37Å; T121-S124 WeakPolarHBondContact O-CB 3.41Å; T121-S124 PolarHBondContact O-N 3.19Å; T121-S124 PolarHBondContact O-OG 3.01Å
122P97.1Very high98.4Very high74 Ų7424.4 Ų24.448%0.48113%0.13SC..THydrogen-bonded Turntrans-55.8149.9-176-27.135.2000113.8N77 S124N77-P122 WeakPolarHBondContact CB-O 3.3Å; N77-P122 PolarHBondContact ND2-O 2.98Å; P122-S124 PolarHBondContact O-N 3.4Å
123Y98.1Very high98.3Very high57 Ų5727.2 Ų27.222%0.22415%0.153CC..THydrogen-bonded Turntrans61.520.3176.3-47.7-78.2000114.5A70 E72 I73 H76 H99 N125A70-Y123 HydrophobicContact CB-CD1 4.22Å; E72-Y123 HydrophobicContact CB-CD1 3.54Å; E72-Y123 HydrophobicContact CB-CD2 4.36Å; E72-Y123 HydrophobicContact CB-CE1 3.35Å; E72-Y123 HydrophobicContact CB-CE2 4.22Å; E72-Y123 HydrophobicContact CB-CG 4.04Å; E72-Y123 HydrophobicContact CG-CD1 4.38Å; E72-Y123 HydrophobicContact CG-CE1 3.8Å; I73-Y123 WeakPolarHBondContact CD1-O 3.49Å; H76-Y123 HydrophobicContact CB-CD2 3.48Å; H76-Y123 VanDerWaalsContact CB-CD2 3.48Å; H76-Y123 HydrophobicContact CB-CE2 3.37Å; H76-Y123 AromaticContact CD2-CE2 3.59Å; H76-Y123 AromaticContact CD2-CZ 3.91Å; H76-Y123 AromaticContact CG-CE2 3.63Å; H99-Y123 HydrophobicContact CB-CD1 4.42Å; H99-Y123 HydrophobicContact CB-CE1 4.23Å; H99-Y123 AromaticContact ND1-CD1 3.97Å; Y123-N125 PolarHBondContact O-N 3.36Å
124S98.6Very high98.1Very high0 Ų037.9 Ų37.90%020%0.2CC..  trans-83.564.8172.9-51.50000110N27 D28 F51 N77 E119 T121 P122N27-S124 CarbonylContact C-O 3.03Å; D28-S124 PolarHBondContact N-O 3Å; F51-S124 WeakPolarHBondContact CD2-O 3.43Å; F51-S124 VanDerWaalsContact CE2-O 3.26Å; F51-S124 WeakPolarHBondContact CE2-O 2.92Å; N77-S124 PolarHBondContact ND2-OG 3.17Å; N77-S124 VanDerWaalsContact ND2-OG 3.1Å; E119-S124 VanDerWaalsContact CG-CB 3.5Å; T121-S124 WeakPolarHBondContact O-CB 3.41Å; T121-S124 PolarHBondContact O-N 3.19Å; T121-S124 PolarHBondContact O-OG 3.01Å; P122-S124 PolarHBondContact O-N 3.4Å
125N98.7Very high98Very high0 Ų039.8 Ų39.80%021%0.21CC..  trans-134.9138.9-178.1-53.9-77.8000108.7I26 N27 D28 L69 M102 Y123I26-N125 CarbonylContact O-C 3.58Å; I26-N125 VanDerWaalsContact O-CA 3.32Å; I26-N125 WeakPolarHBondContact O-CA 3.3Å; N27-N125 WeakPolarHBondContact CA-OD1 3.16Å; N27-N125 VanDerWaalsContact CB-OD1 3.23Å; N27-N125 WeakPolarHBondContact CB-OD1 3.47Å; D28-N125 PolarHBondContact N-OD1 3.06Å; D28-N125 PolarHBondContact OD2-ND2 3.16Å; D28-N125 PolarHBondContact OD2-OD1 2.81Å; L69-N125 WeakPolarHBondContact CD2-O 3.42Å; M102-N125 HydrophobicContact CE-CB 3.28Å; M102-N125 HydrophobicContact SD-CB 3.69Å; Y123-N125 PolarHBondContact O-N 3.36Å
126I98.8Very high98Very high1 Ų141.9 Ų41.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-143.6138.6-177.3-170.7169.3000109.2T25 I26 F51 L55 I67 Y68 L69 I84 L128T25-I126 CarbonylContact C-O 3.51Å; T25-I126 VanDerWaalsContact CA-O 3.22Å; T25-I126 WeakPolarHBondContact CA-O 2.87Å; T25-I126 WeakPolarHBondContact CB-O 3.47Å; I26-I126 HydrophobicContact CB-CG2 3.87Å; I26-I126 HydrophobicContact CD1-CG2 4.4Å; I26-I126 HydrophobicContact CG1-CG2 4.47Å; I26-I126 PolarHBondContact N-O 3.11Å; I26-I126 PolarHBondContact O-N 3.39Å; F51-I126 HydrophobicContact CE2-CB 4.31Å; F51-I126 HydrophobicContact CE2-CG2 3.65Å; F51-I126 HydrophobicContact CZ-CB 3.93Å; F51-I126 HydrophobicContact CZ-CG2 3.49Å; F51-I126 VanDerWaalsContact CZ-CG2 3.49Å; L55-I126 HydrophobicContact CD1-CD1 4.2Å; L55-I126 HydrophobicContact CD1-CG2 4.35Å; L55-I126 HydrophobicContact CD2-CD1 4.18Å; I67-I126 HydrophobicContact CB-CD1 3.92Å; I67-I126 HydrophobicContact CB-CG1 4.01Å; I67-I126 HydrophobicContact CD1-CD1 3.64Å; I67-I126 HydrophobicContact CD1-CG1 4.35Å; I67-I126 HydrophobicContact CG1-CD1 4.38Å; I67-I126 HydrophobicContact CG2-CD1 3.99Å; I67-I126 HydrophobicContact CG2-CG1 4.42Å; Y68-I126 WeakPolarHBondContact O-CA 3.15Å; L69-I126 HydrophobicContact CD2-CB 3.79Å; L69-I126 HydrophobicContact CD2-CD1 4.04Å; L69-I126 HydrophobicContact CD2-CG1 3.69Å; I84-I126 HydrophobicContact CG2-CD1 4.1Å; I126-L128 HydrophobicContact CD1-CD2 3.62Å; I126-L128 HydrophobicContact CG1-CD2 3.88Å; I126-L128 HydrophobicContact CG2-CD2 4.44Å
127A98.7Very high97.9Very high10 Ų1041.1 Ų41.18%0.08322%0.221CC..EExtended strand (participates in β ladder)trans-105.2125.2161.400000108.7T25 I67 Y68T25-A127 HydrophobicContact CG2-CB 3.87Å; I67-A127 CarbonylContact C-O 3.59Å; I67-A127 VanDerWaalsContact CA-O 3.28Å; I67-A127 WeakPolarHBondContact CA-O 3.41Å; Y68-A127 HydrophobicContact CD2-CB 4.08Å; Y68-A127 PolarHBondContact N-O 2.72Å; Y68-A127 PolarHBondContact O-N 2.81Å
128L98.9Very high97.9Very high0 Ų043.5 Ų43.50%023%0.234CC..EExtended strand (participates in β ladder)trans-95.2124.4176.4-56.5176.3000108L23 L24 I26 L55 V58 L59 M62 I64 I67 I126L23-L128 CarbonylContact C-O 3.57Å; L23-L128 VanDerWaalsContact CA-O 3.28Å; L23-L128 WeakPolarHBondContact CA-O 3.25Å; L24-L128 PolarHBondContact N-O 3.15Å; L24-L128 WeakPolarHBondContact O-CB 3.34Å; L24-L128 PolarHBondContact O-N 2.82Å; I26-L128 HydrophobicContact CD1-CD1 4.06Å; L55-L128 HydrophobicContact CD1-CD1 4.19Å; L55-L128 HydrophobicContact CD1-CD2 3.97Å; V58-L128 HydrophobicContact CG1-CD1 3.66Å; L59-L128 HydrophobicContact CD2-CD2 4.49Å; M62-L128 HydrophobicContact CE-CB 3.66Å; M62-L128 HydrophobicContact SD-CB 4.09Å; M62-L128 HydrophobicContact SD-CD1 4.06Å; I64-L128 HydrophobicContact CD1-CD2 4.42Å; I64-L128 HydrophobicContact CG2-CB 4.02Å; I67-L128 HydrophobicContact CG2-CD2 3.64Å; I126-L128 HydrophobicContact CD1-CD2 3.62Å; I126-L128 HydrophobicContact CG1-CD2 3.88Å; I126-L128 HydrophobicContact CG2-CD2 4.44Å
129E98.7Very high97.8Very high17 Ų1746.1 Ų46.18%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-102.4125.3172.5-168.4-178.9106.900110.2L23 I64 Q65 K66 Y68L23-E129 HydrophobicContact CD2-CB 3.69Å; L23-E129 HydrophobicContact CD2-CG 3.81Å; I64-E129 VanDerWaalsContact CA-O 3.26Å; I64-E129 WeakPolarHBondContact CA-O 3.42Å; I64-E129 WeakPolarHBondContact CB-O 3.39Å; Q65-E129 PolarHBondContact N-O 3.13Å; Q65-E129 PolarHBondContact NE2-OE1 3.42Å; K66-E129 WeakPolarHBondContact CE-OE1 3.26Å; K66-E129 WeakPolarHBondContact CE-OE2 3.07Å; K66-E129 HydrophobicContact CG-CB 3.76Å; K66-E129 HydrophobicContact CG-CG 4.37Å; K66-E129 IonicContact NZ-OE1 3.09Å; K66-E129 PolarHBondContact O-N 2.94Å; Y68-E129 HydrophobicContact CE2-CB 4.08Å; Y68-E129 WeakPolarHBondContact CE2-OE2 3.23Å; Y68-E129 PolarHBondContact OH-OE2 2.95Å
130S98.6Very high97.8Very high0 Ų048.7 Ų48.70%026%0.262CS..EExtended strand (participates in β ladder)trans-71.9148.8-173.561.10000113.6I18 G19 F21 D22 E63I18-S130 WeakPolarHBondContact CG2-OG 3.05Å; G19-S130 PolarHBondContact O-OG 3.08Å; F21-S130 PolarHBondContact N-O 3.41Å; F21-S130 PolarHBondContact N-OG 3.18Å; F21-S130 VanDerWaalsContact N-OG 3.16Å; D22-S130 PolarHBondContact N-OG 3.12Å; D22-S130 PolarHBondContact O-N 2.73Å; D22-S130 PolarHBondContact O-OG 2.81Å; E63-S130 WeakPolarHBondContact O-CA 3.32Å
131N98.1Very high97.7Very high57 Ų5747 Ų4731%0.30525%0.249SC..  trans-115.7177167.1-1614.1000110.5E63 Q65E63-N131 HydrophobicContact CG-CB 3.93Å; E63-N131 PolarHBondContact O-N 3.21Å; Q65-N131 HydrophobicContact CB-CB 3.8Å; Q65-N131 HydrophobicContact CG-CB 4.29Å
132V97Very high97.7Very high45 Ų4546.7 Ų46.727%0.27325%0.245SC..  trans-93.3153.4169.3-63.60000111H20 F134H20-V132 HydrophobicContact CB-CG1 3.98Å; V132-F134 HydrophobicContact CB-CD1 4.17Å; V132-F134 HydrophobicContact CB-CE1 3.97Å; V132-F134 HydrophobicContact CB-CZ 4.17Å; V132-F134 HydrophobicContact CG1-CE1 4.06Å; V132-F134 HydrophobicContact CG1-CZ 3.99Å; V132-F134 VanDerWaalsContact CG2-O 3.3Å; V132-F134 WeakPolarHBondContact CG2-O 3.47Å
133T95.3Very high97.8Very high122 Ų12244.4 Ų44.475%0.74823%0.225SC*.  trans-98.39.6177.154.30000113.3E63E63-T133 HydrophobicContact CB-CG2 3.72Å; E63-T133 HydrophobicContact CG-CG2 3.99Å
134F93.9Very high97.8Very high224 Ų22443.3 Ų43.398%0.98223%0.225SC*.  trans-135.50-175.462.2-96.7000112.1V132V132-F134 HydrophobicContact CB-CD1 4.17Å; V132-F134 HydrophobicContact CB-CE1 3.97Å; V132-F134 HydrophobicContact CB-CZ 4.17Å; V132-F134 HydrophobicContact CG1-CE1 4.06Å; V132-F134 HydrophobicContact CG1-CZ 3.99Å; V132-F134 VanDerWaalsContact CG2-O 3.3Å; V132-F134 WeakPolarHBondContact CG2-O 3.47Å

Retrieved 134 of 134 residues in 740 ms (Link to these results)

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