A0A087XUQ3_POEFO Loading...

Transcription elongation factor A (SII), 3

Necessary for efficient RNA polymerase II transcription elongation past template-encoded arresting sites. The arresting sites in DNA have the property of trapping a certain fraction of elongating RNA polymerases that pass through, resulting in locked ternary complexes. Cleavage of the nascent transcript by S-II allows the resumption of elongation from the new 3'-terminus.

AlphaFold DB , UniProt , Accession A0A087XUQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 540 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.2Low81.1Confident177 Ų17778 Ų7887%0.87236%0.359SS*.  01390-71171.5-78.200108E5 R9M1-E5 VanDerWaalsContact C-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.18Å; M1-E5 WeakPolarHBondContact CB-OE2 3.13Å; M1-R9 PolarHBondContact SD-NH2 2.94Å
2T78.1Confident81.9Confident65 Ų6583.8 Ų83.840%0.39938%0.382SS..  trans-86.7156.4174.774.30000110.1E4 E5 D6T2-E4 PolarHBondContact O-N 2.82Å; T2-E4 VanDerWaalsContact O-N 3.11Å; T2-E4 PolarHBondContact OG1-N 2.86Å; T2-E5 PolarHBondContact N-OE2 2.63Å; T2-E5 WeakPolarHBondContact O-CB 3.2Å; T2-E5 PolarHBondContact O-N 3.35Å; T2-E5 VanDerWaalsContact O-N 3.13Å; T2-E5 WeakPolarHBondContact OG1-CG 3.45Å; T2-E5 PolarHBondContact OG1-N 3.24Å; T2-E5 VanDerWaalsContact OG1-N 3.15Å; T2-D6 PolarHBondContact O-N 2.91Å
3R75.1Confident82.5Confident203 Ų20384.7 Ų84.777%0.76639%0.385SS*.Hα-helixtrans-59-24.2174.1-68.9179.5176.4164.5-2.2112.3L7 F36R3-L7 WeakPolarHBondContact O-CB 3.12Å; R3-L7 PolarHBondContact O-N 3.03Å; R3-L7 VanDerWaalsContact O-N 3.14Å; R3-F36 HydrophobicContact CB-CE1 4.29Å; R3-F36 VanDerWaalsContact O-CE1 3.32Å; R3-F36 WeakPolarHBondContact O-CE1 3.18Å
4E79.1Confident83Confident108 Ų10878.6 Ų78.651%0.50536%0.357SS..Hα-helixtrans-76.4-39.9178.4-54.4178145.700111.4T2 D6 L7 I8 L42T2-E4 PolarHBondContact O-N 2.82Å; T2-E4 VanDerWaalsContact O-N 3.11Å; T2-E4 PolarHBondContact OG1-N 2.86Å; E4-D6 VanDerWaalsContact C-N 3.32Å; E4-D6 PolarHBondContact O-N 3.1Å; E4-L7 PolarHBondContact O-N 2.74Å; E4-I8 WeakPolarHBondContact O-CB 3.46Å; E4-I8 WeakPolarHBondContact O-CD1 3.31Å; E4-I8 VanDerWaalsContact O-CG1 3.25Å; E4-I8 WeakPolarHBondContact O-CG1 3.43Å; E4-I8 PolarHBondContact O-N 2.73Å; E4-L42 HydrophobicContact CB-CD2 4.21Å; E4-L42 HydrophobicContact CG-CD1 4.49Å; E4-L42 HydrophobicContact CG-CD2 4Å
5E82.9Confident83.4Confident93 Ų9378.2 Ų78.244%0.43536%0.359SS..Hα-helixtrans-61.3-39.4172.9-71.3166.9173.300112.3M1 T2 R9M1-E5 VanDerWaalsContact C-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.18Å; M1-E5 WeakPolarHBondContact CB-OE2 3.13Å; T2-E5 PolarHBondContact N-OE2 2.63Å; T2-E5 WeakPolarHBondContact O-CB 3.2Å; T2-E5 PolarHBondContact O-N 3.35Å; T2-E5 VanDerWaalsContact O-N 3.13Å; T2-E5 WeakPolarHBondContact OG1-CG 3.45Å; T2-E5 PolarHBondContact OG1-N 3.24Å; T2-E5 VanDerWaalsContact OG1-N 3.15Å; E5-R9 WeakPolarHBondContact O-CB 3.07Å; E5-R9 PolarHBondContact O-N 3.18Å
6D83.8Confident83.8Confident38 Ų3881 Ų8120%0.20337%0.37CS..Hα-helixtrans-68.7-41176.4-66.2-41.7000111.1T2 E4 I8 R9 I10 F36T2-D6 PolarHBondContact O-N 2.91Å; E4-D6 VanDerWaalsContact C-N 3.32Å; E4-D6 PolarHBondContact O-N 3.1Å; D6-I8 PolarHBondContact O-N 3.48Å; D6-R9 WeakPolarHBondContact O-CA 3.43Å; D6-R9 WeakPolarHBondContact O-CB 3.43Å; D6-R9 PolarHBondContact O-N 2.82Å; D6-R9 VanDerWaalsContact O-N 3.11Å; D6-R9 IonicContact OD1-CZ 3.75Å; D6-R9 IonicContact OD1-NH1 3.65Å; D6-R9 PolarHBondContact OD1-NH1 2.87Å; D6-R9 IonicContact OD1-NH2 2.96Å; D6-R9 PolarHBondContact OD1-NH2 3.11Å; D6-I10 WeakPolarHBondContact O-CG1 3.48Å; D6-I10 PolarHBondContact O-N 3.32Å; D6-F36 HydrophobicContact CB-CZ 4.32Å
7L85.1Confident84Confident2 Ų277.9 Ų77.91%0.0136%0.357CS..Hα-helixtrans-63-41.6173.8-163.8156.7000111.8R3 E4 R9 I10 A11 L33 F36 M38 L42 T46 I48R3-L7 WeakPolarHBondContact O-CB 3.12Å; R3-L7 PolarHBondContact O-N 3.03Å; R3-L7 VanDerWaalsContact O-N 3.14Å; E4-L7 PolarHBondContact O-N 2.74Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.33Å; L7-I10 PolarHBondContact O-N 3.02Å; L7-A11 PolarHBondContact O-N 3.36Å; L7-L33 HydrophobicContact CG-CD1 4.39Å; L7-F36 HydrophobicContact CB-CD1 4.32Å; L7-F36 HydrophobicContact CB-CE1 4.27Å; L7-F36 HydrophobicContact CD1-CB 4.15Å; L7-F36 HydrophobicContact CD1-CD1 4.02Å; L7-F36 HydrophobicContact CD1-CG 4.18Å; L7-M38 HydrophobicContact CD1-CE 3.96Å; L7-M38 HydrophobicContact CD1-SD 4.18Å; L7-M38 HydrophobicContact CD2-CE 4.39Å; L7-L42 HydrophobicContact CD1-CD1 4.38Å; L7-T46 HydrophobicContact CD2-CG2 3.6Å; L7-I48 HydrophobicContact CD2-CD1 4.43Å
8I86.7Confident84.1Confident66 Ų6675 Ų7534%0.33835%0.345SS..Hα-helixtrans-62.3-36.6172.1-69.7162.1000111.2E4 D6 K12 T46E4-I8 WeakPolarHBondContact O-CB 3.46Å; E4-I8 WeakPolarHBondContact O-CD1 3.31Å; E4-I8 VanDerWaalsContact O-CG1 3.25Å; E4-I8 WeakPolarHBondContact O-CG1 3.43Å; E4-I8 PolarHBondContact O-N 2.73Å; D6-I8 PolarHBondContact O-N 3.48Å; I8-K12 HydrophobicContact CG2-CD 4.07Å; I8-K12 WeakPolarHBondContact O-CB 3.28Å; I8-K12 WeakPolarHBondContact O-CG 3.32Å; I8-K12 PolarHBondContact O-N 2.8Å; I8-K12 VanDerWaalsContact O-N 3.1Å; I8-T46 HydrophobicContact CG1-CG2 3.66Å
9R90.2Very high84.3Confident101 Ų10175.9 Ų75.938%0.38136%0.361SS..Hα-helixtrans-66.9-42.5174.9-168.8-173.2-55.4128.521.2111.4M1 E5 D6 L7 K12 K13M1-R9 PolarHBondContact SD-NH2 2.94Å; E5-R9 WeakPolarHBondContact O-CB 3.07Å; E5-R9 PolarHBondContact O-N 3.18Å; D6-R9 WeakPolarHBondContact O-CA 3.43Å; D6-R9 WeakPolarHBondContact O-CB 3.43Å; D6-R9 PolarHBondContact O-N 2.82Å; D6-R9 VanDerWaalsContact O-N 3.11Å; D6-R9 IonicContact OD1-CZ 3.75Å; D6-R9 IonicContact OD1-NH1 3.65Å; D6-R9 PolarHBondContact OD1-NH1 2.87Å; D6-R9 IonicContact OD1-NH2 2.96Å; D6-R9 PolarHBondContact OD1-NH2 3.11Å; L7-R9 VanDerWaalsContact C-N 3.3Å; L7-R9 PolarHBondContact O-N 3.33Å; R9-K12 PolarHBondContact O-N 2.89Å; R9-K13 WeakPolarHBondContact O-CG 3.27Å; R9-K13 PolarHBondContact O-N 3.21Å
10I89.7Confident84.4Confident1 Ų181 Ų811%0.00538%0.377CS..Hα-helixtrans-62.7-48.6176.1-66.2163.3000110D6 L7 K12 K13 L14 L29 E32 L33 F36 I48D6-I10 WeakPolarHBondContact O-CG1 3.48Å; D6-I10 PolarHBondContact O-N 3.32Å; L7-I10 PolarHBondContact O-N 3.02Å; I10-K12 PolarHBondContact O-N 2.85Å; I10-K13 WeakPolarHBondContact O-CB 3.37Å; I10-K13 PolarHBondContact O-N 3.02Å; I10-K13 VanDerWaalsContact O-N 3.1Å; I10-L14 HydrophobicContact CG2-CD1 3.74Å; I10-L14 HydrophobicContact CG2-CG 4.24Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 2.84Å; I10-L29 HydrophobicContact CG2-CB 4.34Å; I10-E32 HydrophobicContact CD1-CB 4.34Å; I10-E32 HydrophobicContact CD1-CG 3.83Å; I10-L33 HydrophobicContact CG2-CB 4.4Å; I10-F36 HydrophobicContact CD1-CD2 4.49Å; I10-F36 HydrophobicContact CD1-CE2 3.56Å; I10-F36 HydrophobicContact CD1-CZ 3.83Å; I10-I48 HydrophobicContact CG2-CD1 4.2Å
11A88.4Confident84.3Confident4 Ų483.8 Ų83.83%0.03339%0.394CS..Hα-helixtrans-52.5-52175.500000111.9L7 K13 L14 D15 I48L7-A11 PolarHBondContact O-N 3.36Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 2.81Å; A11-L14 PolarHBondContact O-N 3.26Å; A11-L14 VanDerWaalsContact O-N 3.16Å; A11-D15 PolarHBondContact O-N 2.71Å; A11-I48 HydrophobicContact CB-CB 4.17Å; A11-I48 HydrophobicContact CB-CD1 3.95Å; A11-I48 HydrophobicContact CB-CG1 4.14Å
12K90.4Very high85.9Confident147 Ų14778.9 Ų78.964%0.63937%0.371SS*.Hα-helixtrans-63.4-31.3178.6-71.9172.1180174.20113.5I8 R9 I10 K16I8-K12 HydrophobicContact CG2-CD 4.07Å; I8-K12 WeakPolarHBondContact O-CB 3.28Å; I8-K12 WeakPolarHBondContact O-CG 3.32Å; I8-K12 PolarHBondContact O-N 2.8Å; I8-K12 VanDerWaalsContact O-N 3.1Å; R9-K12 PolarHBondContact O-N 2.89Å; I10-K12 PolarHBondContact O-N 2.85Å; K12-K16 VanDerWaalsContact O-CB 3.26Å; K12-K16 WeakPolarHBondContact O-CB 3.49Å; K12-K16 PolarHBondContact O-N 2.87Å
13K89.9Confident86Confident96 Ų9677 Ų7742%0.41736%0.36SS..Hα-helixtrans-69.8-44.8172-75.4177.6-178.91770111.4R9 I10 A11 K16 M17 L29R9-K13 WeakPolarHBondContact O-CG 3.27Å; R9-K13 PolarHBondContact O-N 3.21Å; I10-K13 WeakPolarHBondContact O-CB 3.37Å; I10-K13 PolarHBondContact O-N 3.02Å; I10-K13 VanDerWaalsContact O-N 3.1Å; A11-K13 VanDerWaalsContact C-N 3.32Å; A11-K13 PolarHBondContact O-N 2.81Å; K13-K16 PolarHBondContact O-N 2.77Å; K13-M17 PolarHBondContact O-N 2.83Å; K13-L29 HydrophobicContact CB-CD1 3.58Å; K13-L29 HydrophobicContact CD-CD1 3.9Å; K13-L29 HydrophobicContact CD-CD2 3.65Å; K13-L29 HydrophobicContact CD-CG 4.46Å; K13-L29 HydrophobicContact CG-CD1 4.42Å
14L89.4Confident86.3Confident0 Ų075.1 Ų75.10%036%0.36CS..Hα-helixtrans-63.8-46.9-179.3-66.2167.5000111.2I10 A11 K16 M17 V18 L29 L30 L33 I48 V52 I55I10-L14 HydrophobicContact CG2-CD1 3.74Å; I10-L14 HydrophobicContact CG2-CG 4.24Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 2.84Å; A11-L14 PolarHBondContact O-N 3.26Å; A11-L14 VanDerWaalsContact O-N 3.16Å; L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 2.95Å; L14-M17 WeakPolarHBondContact O-CB 3.4Å; L14-M17 PolarHBondContact O-N 2.85Å; L14-M17 VanDerWaalsContact O-N 3.12Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 2.85Å; L14-L29 HydrophobicContact CD2-CB 3.79Å; L14-L29 HydrophobicContact CD2-CD1 3.88Å; L14-L29 HydrophobicContact CG-CB 4.42Å; L14-L29 HydrophobicContact CG-CD1 4.19Å; L14-L30 HydrophobicContact CD2-CD2 4.43Å; L14-L33 HydrophobicContact CD1-CD2 4.19Å; L14-I48 HydrophobicContact CD1-CD1 3.93Å; L14-I48 HydrophobicContact CD1-CG1 3.97Å; L14-V52 HydrophobicContact CD1-CG2 4Å; L14-I55 HydrophobicContact CB-CD1 4.07Å; L14-I55 HydrophobicContact CD2-CD1 3.44Å; L14-I55 VanDerWaalsContact CD2-CD1 3.44Å; L14-I55 HydrophobicContact CG-CD1 4.28Å
15D89.2Confident86.5Confident72 Ų7271.9 Ų71.939%0.38536%0.355SS..Hα-helixtrans-60-36.2174-78.7-19.1000112.4A11 M17 V18 S19 S51A11-D15 PolarHBondContact O-N 2.71Å; D15-M17 VanDerWaalsContact C-N 3.35Å; D15-V18 PolarHBondContact O-N 2.83Å; D15-S19 WeakPolarHBondContact O-CB 3.43Å; D15-S19 PolarHBondContact O-N 3.2Å; D15-S19 PolarHBondContact O-OG 3.05Å; D15-S51 WeakPolarHBondContact OD1-CB 3.13Å; D15-S51 PolarHBondContact OD1-OG 2.86Å
16K90.4Very high86.7Confident123 Ų12367.4 Ų67.454%0.53534%0.335SS..Hα-helixtrans-71.9-25.9177-172173.9-179.8179.70113.3K12 K13 L14 S19 R20K12-K16 VanDerWaalsContact O-CB 3.26Å; K12-K16 WeakPolarHBondContact O-CB 3.49Å; K12-K16 PolarHBondContact O-N 2.87Å; K13-K16 PolarHBondContact O-N 2.77Å; L14-K16 VanDerWaalsContact C-N 3.27Å; L14-K16 PolarHBondContact O-N 2.95Å; K16-S19 WeakPolarHBondContact CA-OG 3.05Å; K16-R20 VanDerWaalsContact O-CD 3.28Å; K16-R20 WeakPolarHBondContact O-CD 3.47Å; K16-R20 VanDerWaalsContact O-CG 3.24Å; K16-R20 WeakPolarHBondContact O-CG 3.3Å
17M86.2Confident87Confident29 Ų2967.3 Ų67.314%0.14333%0.333CS..Hα-helixtrans-73.7-51.9169.3-109.6-171.6-88.700110.6K13 L14 D15 S19 R20 N21 N22 A26 L29K13-M17 PolarHBondContact O-N 2.83Å; L14-M17 WeakPolarHBondContact O-CB 3.4Å; L14-M17 PolarHBondContact O-N 2.85Å; L14-M17 VanDerWaalsContact O-N 3.12Å; D15-M17 VanDerWaalsContact C-N 3.35Å; M17-S19 PolarHBondContact O-N 2.99Å; M17-R20 CarbonylContact O-C 3.51Å; M17-R20 WeakPolarHBondContact O-CA 3.21Å; M17-R20 PolarHBondContact O-N 3Å; M17-N21 PolarHBondContact O-N 2.77Å; M17-N22 CarbonylContact C-O 3.6Å; M17-N22 WeakPolarHBondContact CB-O 3.46Å; M17-N22 WeakPolarHBondContact CG-O 3.34Å; M17-N22 PolarHBondContact O-N 3.11Å; M17-A26 HydrophobicContact CE-CB 4.37Å; M17-A26 HydrophobicContact SD-CB 3.83Å; M17-L29 HydrophobicContact CE-CD1 3.44Å; M17-L29 VanDerWaalsContact CE-CD1 3.44Å; M17-L29 HydrophobicContact CE-CG 4.39Å
18V86Confident87.2Confident25 Ų2571.5 Ų71.515%0.15236%0.356CS..Hα-helixtrans-54.1-50.2178.5167.60000112L14 D15 R20 N21 N54 I55L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 2.85Å; D15-V18 PolarHBondContact O-N 2.83Å; V18-R20 PolarHBondContact O-N 3.4Å; V18-R20 VanDerWaalsContact O-N 3.12Å; V18-N21 PolarHBondContact O-N 2.77Å; V18-N21 VanDerWaalsContact O-N 3.12Å; V18-N21 PolarHBondContact O-OD1 3.02Å; V18-N54 HydrophobicContact CG1-CB 3.91Å; V18-N54 WeakPolarHBondContact CG1-ND2 3.36Å; V18-N54 HydrophobicContact CG2-CB 4.26Å; V18-I55 HydrophobicContact CG2-CD1 4.12Å; V18-I55 HydrophobicContact CG2-CG1 3.45Å; V18-I55 VanDerWaalsContact CG2-CG1 3.45Å
19S87.1Confident87.4Confident92 Ų9269 Ų6964%0.64334%0.343SS*.THydrogen-bonded Turntrans-69.1-4.117953.90000114.8D15 K16 M17D15-S19 WeakPolarHBondContact O-CB 3.43Å; D15-S19 PolarHBondContact O-N 3.2Å; D15-S19 PolarHBondContact O-OG 3.05Å; K16-S19 WeakPolarHBondContact CA-OG 3.05Å; M17-S19 PolarHBondContact O-N 2.99Å
20R87.2Confident87.3Confident178 Ų17864.2 Ų64.267%0.67233%0.325SS*.THydrogen-bonded Turntrans-114.34.3175.1-68.3179.9170.4-153.6-11.4112.9K16 M17 V18 N22K16-R20 VanDerWaalsContact O-CD 3.28Å; K16-R20 WeakPolarHBondContact O-CD 3.47Å; K16-R20 VanDerWaalsContact O-CG 3.24Å; K16-R20 WeakPolarHBondContact O-CG 3.3Å; M17-R20 CarbonylContact O-C 3.51Å; M17-R20 WeakPolarHBondContact O-CA 3.21Å; M17-R20 PolarHBondContact O-N 3Å; V18-R20 PolarHBondContact O-N 3.4Å; V18-R20 VanDerWaalsContact O-N 3.12Å; R20-N22 PolarHBondContact O-N 3.01Å; R20-N22 VanDerWaalsContact O-N 3.08Å
21N83.1Confident87.3Confident140 Ų14069.3 Ų69.375%0.74935%0.347SS*.THydrogen-bonded Turntrans48.928.1-171.5-70.625.8000114.1M17 V18M17-N21 PolarHBondContact O-N 2.77Å; V18-N21 PolarHBondContact O-N 2.77Å; V18-N21 VanDerWaalsContact O-N 3.12Å; V18-N21 PolarHBondContact O-OD1 3.02Å
22N84.9Confident87.4Confident73 Ų7373.2 Ų73.239%0.3937%0.365SS..  trans-106.4133.8173.9-169.4-12.6000108.8M17 R20 E24M17-N22 CarbonylContact C-O 3.6Å; M17-N22 WeakPolarHBondContact CB-O 3.46Å; M17-N22 WeakPolarHBondContact CG-O 3.34Å; M17-N22 PolarHBondContact O-N 3.11Å; R20-N22 PolarHBondContact O-N 3.01Å; R20-N22 VanDerWaalsContact O-N 3.08Å; N22-E24 WeakPolarHBondContact OD1-CB 3.23Å; N22-E24 PolarHBondContact OD1-N 3.34Å
23T80.3Confident87.3Confident27 Ų2766.3 Ų66.317%0.16634%0.335CS..  trans-120.35.2176.459.30000113.4G25 A26 C59T23-G25 PolarHBondContact O-N 3.45Å; T23-A26 WeakPolarHBondContact O-CB 3.2Å; T23-A26 PolarHBondContact O-N 3.39Å; T23-C59 HydrophobicContact CG2-CB 3.85Å; T23-C59 PolarHBondContact OG1-SG 2.83Å
24E81.4Confident87.1Confident163 Ų16368.2 Ų68.276%0.76234%0.343SS*.THydrogen-bonded Turntrans-66.2121.7176.4-164.9168.1-145.300110.1N22 A26N22-E24 WeakPolarHBondContact OD1-CB 3.23Å; N22-E24 PolarHBondContact OD1-N 3.34Å; E24-A26 VanDerWaalsContact C-N 3.34Å
25G84.2Confident86.7Confident39 Ų3971.4 Ų71.440%0.40238%0.376SS..THydrogen-bonded Turntrans80.43.4-170.100000115.4T23 I27T23-G25 PolarHBondContact O-N 3.45Å; G25-I27 PolarHBondContact O-N 3.16Å
26A86.8Confident86.4Confident0 Ų070.1 Ų70.10%037%0.368CS..Hα-helixtrans-63-34.2172.500000112M17 T23 E24 D28 L29 L30 I55 V64M17-A26 HydrophobicContact CE-CB 4.37Å; M17-A26 HydrophobicContact SD-CB 3.83Å; T23-A26 WeakPolarHBondContact O-CB 3.2Å; T23-A26 PolarHBondContact O-N 3.39Å; E24-A26 VanDerWaalsContact C-N 3.34Å; A26-D28 VanDerWaalsContact C-N 3.32Å; A26-D28 PolarHBondContact O-N 2.9Å; A26-L29 PolarHBondContact O-N 2.8Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.4Å; A26-I55 HydrophobicContact CB-CG2 4.34Å; A26-V64 HydrophobicContact CB-CG1 4.12Å
27I89.8Confident85.7Confident35 Ų3571.6 Ų71.618%0.17938%0.381CS..Hα-helixtrans-57.4-42.6-177.1-164.7176000112.5G25 L30 K31 E63 V64G25-I27 PolarHBondContact O-N 3.16Å; I27-L30 PolarHBondContact O-N 2.8Å; I27-K31 WeakPolarHBondContact O-CG 3.42Å; I27-K31 PolarHBondContact O-N 3.05Å; I27-E63 HydrophobicContact CD1-CB 3.94Å; I27-E63 VanDerWaalsContact CD1-OE2 3.27Å; I27-E63 WeakPolarHBondContact CD1-OE2 3.49Å; I27-V64 HydrophobicContact CB-CG2 3.73Å; I27-V64 HydrophobicContact CG1-CG2 4.21Å
28D90.3Very high85.4Confident90 Ų9071 Ų7148%0.48138%0.378SS..Hα-helixtrans-77.9-33.9-174.5-57-47.7000112A26 L30 K31 E32A26-D28 VanDerWaalsContact C-N 3.32Å; A26-D28 PolarHBondContact O-N 2.9Å; D28-L30 VanDerWaalsContact C-N 3.3Å; D28-L30 PolarHBondContact O-N 2.9Å; D28-K31 PolarHBondContact O-N 3.32Å; D28-K31 IonicContact OD1-NZ 3.03Å; D28-K31 PolarHBondContact OD1-NZ 3Å; D28-E32 VanDerWaalsContact O-CB 3.31Å; D28-E32 WeakPolarHBondContact O-CB 3.35Å; D28-E32 PolarHBondContact O-N 3.49Å
29L89.6Confident85.3Confident15 Ų1573 Ų738%0.07939%0.391CS..Hα-helixtrans-64.7-33.7169.2-64-176.3000112.4I10 K13 L14 M17 A26 L33I10-L29 HydrophobicContact CG2-CB 4.34Å; K13-L29 HydrophobicContact CB-CD1 3.58Å; K13-L29 HydrophobicContact CD-CD1 3.9Å; K13-L29 HydrophobicContact CD-CD2 3.65Å; K13-L29 HydrophobicContact CD-CG 4.46Å; K13-L29 HydrophobicContact CG-CD1 4.42Å; L14-L29 HydrophobicContact CD2-CB 3.79Å; L14-L29 HydrophobicContact CD2-CD1 3.88Å; L14-L29 HydrophobicContact CG-CB 4.42Å; L14-L29 HydrophobicContact CG-CD1 4.19Å; M17-L29 HydrophobicContact CE-CD1 3.44Å; M17-L29 VanDerWaalsContact CE-CD1 3.44Å; M17-L29 HydrophobicContact CE-CG 4.39Å; A26-L29 PolarHBondContact O-N 2.8Å; L29-L33 WeakPolarHBondContact O-CB 2.93Å; L29-L33 PolarHBondContact O-N 3.47Å
30L89.7Confident85.1Confident0 Ų072.3 Ų72.30%038%0.379CS..Hα-helixtrans-73.6-33.4173.4-66.6-178.6000112.3L14 A26 I27 D28 L33 K34 V52 I55 V64 L67 A68 L71L14-L30 HydrophobicContact CD2-CD2 4.43Å; A26-L30 WeakPolarHBondContact O-CG 3.48Å; A26-L30 PolarHBondContact O-N 3.4Å; I27-L30 PolarHBondContact O-N 2.8Å; D28-L30 VanDerWaalsContact C-N 3.3Å; D28-L30 PolarHBondContact O-N 2.9Å; L30-L33 HydrophobicContact CD2-CD2 4.44Å; L30-K34 PolarHBondContact O-N 3.37Å; L30-V52 HydrophobicContact CD2-CB 4.4Å; L30-V52 HydrophobicContact CD2-CG1 3.91Å; L30-V52 HydrophobicContact CD2-CG2 3.67Å; L30-I55 HydrophobicContact CD1-CG2 4.5Å; L30-V64 HydrophobicContact CD1-CG1 3.77Å; L30-L67 HydrophobicContact CB-CD2 3.57Å; L30-L67 HydrophobicContact CB-CG 3.9Å; L30-A68 HydrophobicContact CD1-CB 4.09Å; L30-L71 HydrophobicContact CB-CD1 4.14Å; L30-L71 HydrophobicContact CD2-CD1 3.87Å
31K89.6Confident84.7Confident108 Ų10870.2 Ų70.247%0.4738%0.375SS..Hα-helixtrans-66.1-46.6171.6-71.5169.2-170.9151.40110.8I27 D28 L33 K34 L67I27-K31 WeakPolarHBondContact O-CG 3.42Å; I27-K31 PolarHBondContact O-N 3.05Å; D28-K31 PolarHBondContact O-N 3.32Å; D28-K31 IonicContact OD1-NZ 3.03Å; D28-K31 PolarHBondContact OD1-NZ 3Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.03Å; K31-K34 WeakPolarHBondContact O-CB 3.42Å; K31-K34 PolarHBondContact O-N 3.13Å; K31-L67 HydrophobicContact CG-CD2 3.86Å
32E89.8Confident84.8Confident86 Ų8664.3 Ų64.340%0.40234%0.344SS..Hα-helixtrans-55.9-49.7174-163.3-175.9176.400109.6I10 D28 K34 G35 F36I10-E32 HydrophobicContact CD1-CB 4.34Å; I10-E32 HydrophobicContact CD1-CG 3.83Å; D28-E32 VanDerWaalsContact O-CB 3.31Å; D28-E32 WeakPolarHBondContact O-CB 3.35Å; D28-E32 PolarHBondContact O-N 3.49Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.37Å; E32-G35 PolarHBondContact O-N 3.11Å; E32-F36 HydrophobicContact CG-CE2 4.27Å; E32-F36 WeakPolarHBondContact O-CD2 3.4Å; E32-F36 WeakPolarHBondContact O-CE2 3.38Å
33L88.9Confident84.8Confident1 Ų162.2 Ų62.21%0.00533%0.332CS..Hα-helixtrans-62.6-30179.1-173.657.2000114.3L7 I10 L14 L29 L30 K31 G35 F36 M38 I48 V52 L71 W75L7-L33 HydrophobicContact CG-CD1 4.39Å; I10-L33 HydrophobicContact CG2-CB 4.4Å; L14-L33 HydrophobicContact CD1-CD2 4.19Å; L29-L33 WeakPolarHBondContact O-CB 2.93Å; L29-L33 PolarHBondContact O-N 3.47Å; L30-L33 HydrophobicContact CD2-CD2 4.44Å; K31-L33 VanDerWaalsContact C-N 3.33Å; K31-L33 PolarHBondContact O-N 3.03Å; L33-G35 PolarHBondContact O-N 3.32Å; L33-F36 PolarHBondContact O-N 2.83Å; L33-M38 HydrophobicContact CD1-CE 3.92Å; L33-I48 HydrophobicContact CD1-CD1 3.66Å; L33-I48 HydrophobicContact CD2-CD1 3.48Å; L33-I48 VanDerWaalsContact CD2-CD1 3.48Å; L33-I48 HydrophobicContact CD2-CG1 4Å; L33-I48 HydrophobicContact CG-CD1 4.23Å; L33-V52 HydrophobicContact CD2-CG2 3.98Å; L33-L71 HydrophobicContact CD2-CD1 4.44Å; L33-W75 HydrophobicContact CD1-CZ2 4.38Å; L33-W75 HydrophobicContact CD2-CH2 3.62Å; L33-W75 HydrophobicContact CD2-CZ2 3.85Å; L33-W75 HydrophobicContact CG-CH2 4.23Å; L33-W75 HydrophobicContact CG-CZ2 3.93Å
34K86Confident84.9Confident136 Ų13666.9 Ų66.959%0.59135%0.352SS*.Hα-helixtrans-65.2-21.6173-170.6-177.2172.5-171.90112.7L30 K31 E32 F36 L67 L71L30-K34 PolarHBondContact O-N 3.37Å; K31-K34 WeakPolarHBondContact O-CB 3.42Å; K31-K34 PolarHBondContact O-N 3.13Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.37Å; K34-F36 VanDerWaalsContact C-N 3.32Å; K34-L67 HydrophobicContact CD-CD1 4.01Å; K34-L71 HydrophobicContact CB-CD2 4.02Å; K34-L71 HydrophobicContact CG-CD2 4.34Å
35G81.3Confident85Confident68 Ų6864.8 Ų64.870%0.70134%0.342SS*.THydrogen-bonded Turntrans-78.7-7.617600000115.1E32 L33E32-G35 PolarHBondContact O-N 3.11Å; L33-G35 PolarHBondContact O-N 3.32Å
36F82.8Confident85.1Confident45 Ų4563.8 Ų63.820%0.19733%0.328CS..SBendtrans-95.1130.4-178.6-67.5-100.6000111.8R3 D6 L7 I10 E32 L33 K34 M38R3-F36 HydrophobicContact CB-CE1 4.29Å; R3-F36 VanDerWaalsContact O-CE1 3.32Å; R3-F36 WeakPolarHBondContact O-CE1 3.18Å; D6-F36 HydrophobicContact CB-CZ 4.32Å; L7-F36 HydrophobicContact CB-CD1 4.32Å; L7-F36 HydrophobicContact CB-CE1 4.27Å; L7-F36 HydrophobicContact CD1-CB 4.15Å; L7-F36 HydrophobicContact CD1-CD1 4.02Å; L7-F36 HydrophobicContact CD1-CG 4.18Å; I10-F36 HydrophobicContact CD1-CD2 4.49Å; I10-F36 HydrophobicContact CD1-CE2 3.56Å; I10-F36 HydrophobicContact CD1-CZ 3.83Å; E32-F36 HydrophobicContact CG-CE2 4.27Å; E32-F36 WeakPolarHBondContact O-CD2 3.4Å; E32-F36 WeakPolarHBondContact O-CE2 3.38Å; L33-F36 PolarHBondContact O-N 2.83Å; K34-F36 VanDerWaalsContact C-N 3.32Å; F36-M38 VanDerWaalsContact C-N 3.28Å; F36-M38 PolarHBondContact O-N 3.38Å
37N75.1Confident85.1Confident153 Ų15371.8 Ų71.882%0.81836%0.359SS*.  trans-68.887.2164.2-69.7-34.3000109.2
38M80.3Confident85Confident16 Ų1670.1 Ų70.18%0.07935%0.35CS..  trans-62.6138178.8-171.763.370.400110.6L7 L33 F36 L42 L43 I48 W75 L78L7-M38 HydrophobicContact CD1-CE 3.96Å; L7-M38 HydrophobicContact CD1-SD 4.18Å; L7-M38 HydrophobicContact CD2-CE 4.39Å; L33-M38 HydrophobicContact CD1-CE 3.92Å; F36-M38 VanDerWaalsContact C-N 3.28Å; F36-M38 PolarHBondContact O-N 3.38Å; M38-L42 HydrophobicContact SD-CB 4.05Å; M38-L43 HydrophobicContact CE-CD1 4.36Å; M38-L43 HydrophobicContact CG-CB 4.24Å; M38-L43 HydrophobicContact CG-CD1 4.08Å; M38-L43 HydrophobicContact SD-CB 4.13Å; M38-L43 HydrophobicContact SD-CD1 4.1Å; M38-I48 HydrophobicContact CE-CG2 3.81Å; M38-W75 HydrophobicContact CE-CZ2 3.76Å; M38-W75 HydrophobicContact CG-CG 4.23Å; M38-L78 HydrophobicContact CB-CD1 4.25Å; M38-L78 WeakPolarHBondContact O-CD1 3.25Å
39T83.3Confident84.9Confident68 Ų6866.9 Ų66.942%0.41734%0.338SS..  trans-115157.917168.30000110K41 L42 L43T39-K41 PolarHBondContact O-N 2.82Å; T39-L42 HydrophobicContact CG2-CD1 4.47Å; T39-L42 PolarHBondContact O-N 2.86Å; T39-L42 WeakPolarHBondContact OG1-CG 3.46Å; T39-L42 PolarHBondContact OG1-N 2.96Å; T39-L43 WeakPolarHBondContact O-CB 3.28Å; T39-L43 PolarHBondContact O-N 2.93Å
40L82.4Confident84.8Confident77 Ų7772.1 Ų72.140%0.40336%0.364SS..Hα-helixtrans-54.3-43.6176.8177.656.4000111.9L43 Q44 L79L40-L43 PolarHBondContact O-N 3.32Å; L40-Q44 HydrophobicContact CD1-CG 4.2Å; L40-Q44 WeakPolarHBondContact O-CG 3.31Å; L40-Q44 PolarHBondContact O-N 3.45Å; L40-L79 HydrophobicContact CD1-CD2 3.38Å; L40-L79 HydrophobicContact CD1-CG 4.22Å
41K80.1Confident84.8Confident134 Ų13472.2 Ų72.258%0.58336%0.364SS*.Hα-helixtrans-58.9-52177.4-177179.5174.1-173.70111.7T39 L43 Q44 E45T39-K41 PolarHBondContact O-N 2.82Å; K41-L43 VanDerWaalsContact C-N 3.31Å; K41-L43 PolarHBondContact O-N 2.9Å; K41-Q44 PolarHBondContact O-N 2.82Å; K41-E45 VanDerWaalsContact CE-CD 3.41Å; K41-E45 WeakPolarHBondContact CE-OE1 3.39Å; K41-E45 WeakPolarHBondContact CE-OE2 3.43Å; K41-E45 HydrophobicContact CG-CG 4.3Å; K41-E45 IonicContact NZ-OE1 3.68Å; K41-E45 WeakPolarHBondContact O-CB 3.49Å; K41-E45 WeakPolarHBondContact O-CG 3.17Å; K41-E45 PolarHBondContact O-N 3.48Å
42L83.5Confident84.9Confident17 Ų1767.1 Ų67.19%0.08934%0.342CS..Hα-helixtrans-63.1-36.5179.1-70.1169.7000112.3E4 L7 M38 T39 T46E4-L42 HydrophobicContact CB-CD2 4.21Å; E4-L42 HydrophobicContact CG-CD1 4.49Å; E4-L42 HydrophobicContact CG-CD2 4Å; L7-L42 HydrophobicContact CD1-CD1 4.38Å; M38-L42 HydrophobicContact SD-CB 4.05Å; T39-L42 HydrophobicContact CG2-CD1 4.47Å; T39-L42 PolarHBondContact O-N 2.86Å; T39-L42 WeakPolarHBondContact OG1-CG 3.46Å; T39-L42 PolarHBondContact OG1-N 2.96Å; L42-T46 WeakPolarHBondContact O-CB 3.37Å; L42-T46 WeakPolarHBondContact O-CG2 3.31Å; L42-T46 PolarHBondContact O-N 3.19Å; L42-T46 PolarHBondContact O-OG1 3.41Å
43L84.9Confident85Confident28 Ų2865.5 Ų65.515%0.14734%0.336CS..Hα-helixtrans-65.5-39.1176.7-166.477.6000112.1M38 T39 L40 K41 R47 I48 W75 L79M38-L43 HydrophobicContact CE-CD1 4.36Å; M38-L43 HydrophobicContact CG-CB 4.24Å; M38-L43 HydrophobicContact CG-CD1 4.08Å; M38-L43 HydrophobicContact SD-CB 4.13Å; M38-L43 HydrophobicContact SD-CD1 4.1Å; T39-L43 WeakPolarHBondContact O-CB 3.28Å; T39-L43 PolarHBondContact O-N 2.93Å; L40-L43 PolarHBondContact O-N 3.32Å; K41-L43 VanDerWaalsContact C-N 3.31Å; K41-L43 PolarHBondContact O-N 2.9Å; L43-R47 WeakPolarHBondContact O-CA 3.45Å; L43-R47 PolarHBondContact O-N 3.47Å; L43-I48 HydrophobicContact CD1-CG2 4Å; L43-W75 HydrophobicContact CD1-CB 4.2Å; L43-W75 HydrophobicContact CD1-CD2 3.72Å; L43-W75 HydrophobicContact CD1-CE3 3.68Å; L43-W75 HydrophobicContact CD1-CG 3.98Å; L43-W75 HydrophobicContact CD1-CZ3 4.31Å; L43-W75 HydrophobicContact CD2-CB 4.05Å; L43-L79 HydrophobicContact CD2-CD1 4.45Å
44Q83.8Confident85Confident126 Ų12668.1 Ų68.159%0.58935%0.35SS*.Hα-helixtrans-71.8-50.5176.5-72.2174.1-7.500111.9L40 K41 R47L40-Q44 HydrophobicContact CD1-CG 4.2Å; L40-Q44 WeakPolarHBondContact O-CG 3.31Å; L40-Q44 PolarHBondContact O-N 3.45Å; K41-Q44 PolarHBondContact O-N 2.82Å; Q44-R47 WeakPolarHBondContact O-CG 3.47Å; Q44-R47 PolarHBondContact O-N 2.95Å
45E83.4Confident85.1Confident119 Ų11961.7 Ų61.756%0.55632%0.322SS*.Hα-helixtrans-64.9-44.6-176.3-72176.2158.200112.3K41K41-E45 VanDerWaalsContact CE-CD 3.41Å; K41-E45 WeakPolarHBondContact CE-OE1 3.39Å; K41-E45 WeakPolarHBondContact CE-OE2 3.43Å; K41-E45 HydrophobicContact CG-CG 4.3Å; K41-E45 IonicContact NZ-OE1 3.68Å; K41-E45 WeakPolarHBondContact O-CB 3.49Å; K41-E45 WeakPolarHBondContact O-CG 3.17Å; K41-E45 PolarHBondContact O-N 3.48Å
46T86.3Confident85.6Confident18 Ų1863.4 Ų63.411%0.1131%0.308CS..Hα-helixtrans-85.9-13.7-178.968.80000114L7 I8 L42 I48L7-T46 HydrophobicContact CD2-CG2 3.6Å; I8-T46 HydrophobicContact CG1-CG2 3.66Å; L42-T46 WeakPolarHBondContact O-CB 3.37Å; L42-T46 WeakPolarHBondContact O-CG2 3.31Å; L42-T46 PolarHBondContact O-N 3.19Å; L42-T46 PolarHBondContact O-OG1 3.41Å; T46-I48 PolarHBondContact O-N 3.19Å; T46-I48 WeakPolarHBondContact OG1-CG2 3.44Å
47R85.9Confident85.9Confident168 Ų16867.6 Ų67.663%0.63433%0.326SS*.  trans55.112.3-177.3-52.7-172.9-154.9-175.96.3115.7L43 Q44 G49 M50L43-R47 WeakPolarHBondContact O-CA 3.45Å; L43-R47 PolarHBondContact O-N 3.47Å; Q44-R47 WeakPolarHBondContact O-CG 3.47Å; Q44-R47 PolarHBondContact O-N 2.95Å; R47-G49 PolarHBondContact O-N 3.03Å; R47-M50 HydrophobicContact CB-CE 3.78Å; R47-M50 HydrophobicContact CG-CE 4.14Å; R47-M50 WeakPolarHBondContact O-CB 3.41Å; R47-M50 PolarHBondContact O-N 3.25Å
48I88.5Confident86.3Confident0 Ų065.7 Ų65.70%031%0.311CS..Hα-helixtrans-56.9-24.8-169.9-164.6165.8000114.3L7 I10 A11 L14 L33 M38 L43 T46 M50 S51 V52 W75L7-I48 HydrophobicContact CD2-CD1 4.43Å; I10-I48 HydrophobicContact CG2-CD1 4.2Å; A11-I48 HydrophobicContact CB-CB 4.17Å; A11-I48 HydrophobicContact CB-CD1 3.95Å; A11-I48 HydrophobicContact CB-CG1 4.14Å; L14-I48 HydrophobicContact CD1-CD1 3.93Å; L14-I48 HydrophobicContact CD1-CG1 3.97Å; L33-I48 HydrophobicContact CD1-CD1 3.66Å; L33-I48 HydrophobicContact CD2-CD1 3.48Å; L33-I48 VanDerWaalsContact CD2-CD1 3.48Å; L33-I48 HydrophobicContact CD2-CG1 4Å; L33-I48 HydrophobicContact CG-CD1 4.23Å; M38-I48 HydrophobicContact CE-CG2 3.81Å; L43-I48 HydrophobicContact CD1-CG2 4Å; T46-I48 PolarHBondContact O-N 3.19Å; T46-I48 WeakPolarHBondContact OG1-CG2 3.44Å; I48-M50 PolarHBondContact O-N 2.95Å; I48-S51 WeakPolarHBondContact O-CB 3.27Å; I48-S51 PolarHBondContact O-N 3.01Å; I48-V52 HydrophobicContact CG1-CG2 4.24Å; I48-V52 WeakPolarHBondContact O-CG2 3.42Å; I48-V52 PolarHBondContact O-N 3Å; I48-W75 HydrophobicContact CG2-CH2 4.47Å
49G88.4Confident86.5Confident22 Ų2265.4 Ų65.423%0.22731%0.311CS..Hα-helixtrans-58.5-31.3171.500000114.1R47 N53R47-G49 PolarHBondContact O-N 3.03Å; G49-N53 VanDerWaalsContact O-CB 3.23Å; G49-N53 WeakPolarHBondContact O-CB 3.2Å; G49-N53 PolarHBondContact O-N 2.92Å; G49-N53 VanDerWaalsContact O-N 3.16Å
50M87.8Confident86.6Confident125 Ų12573.2 Ų73.262%0.61633%0.333SS*.Hα-helixtrans-74-45.7173.9-66.1-163.4-73.700111.3R47 I48 V52 N53 N54R47-M50 HydrophobicContact CB-CE 3.78Å; R47-M50 HydrophobicContact CG-CE 4.14Å; R47-M50 WeakPolarHBondContact O-CB 3.41Å; R47-M50 PolarHBondContact O-N 3.25Å; I48-M50 PolarHBondContact O-N 2.95Å; M50-V52 PolarHBondContact O-N 3.3Å; M50-N53 PolarHBondContact O-N 3.13Å; M50-N54 PolarHBondContact O-N 2.84Å
51S88.8Confident86.8Confident2 Ų273.4 Ų73.41%0.01433%0.334CS..Hα-helixtrans-55.7-50.4177.2-36.30000111.4D15 I48 N54 I55D15-S51 WeakPolarHBondContact OD1-CB 3.13Å; D15-S51 PolarHBondContact OD1-OG 2.86Å; I48-S51 WeakPolarHBondContact O-CB 3.27Å; I48-S51 PolarHBondContact O-N 3.01Å; S51-N54 PolarHBondContact O-N 3.32Å; S51-N54 VanDerWaalsContact O-N 3.13Å; S51-I55 WeakPolarHBondContact O-CG1 3.46Å; S51-I55 PolarHBondContact O-N 3.45Å
52V91.4Very high87.2Confident0 Ų072.8 Ų72.80%033%0.333CS..Hα-helixtrans-69-35.6-179.5175.90000112.1L14 L30 L33 I48 M50 N54 I55 R56 A68 I72 W75L14-V52 HydrophobicContact CD1-CG2 4Å; L30-V52 HydrophobicContact CD2-CB 4.4Å; L30-V52 HydrophobicContact CD2-CG1 3.91Å; L30-V52 HydrophobicContact CD2-CG2 3.67Å; L33-V52 HydrophobicContact CD2-CG2 3.98Å; I48-V52 HydrophobicContact CG1-CG2 4.24Å; I48-V52 WeakPolarHBondContact O-CG2 3.42Å; I48-V52 PolarHBondContact O-N 3Å; M50-V52 PolarHBondContact O-N 3.3Å; V52-N54 VanDerWaalsContact C-N 3.28Å; V52-N54 PolarHBondContact O-N 3.42Å; V52-I55 PolarHBondContact O-N 3.48Å; V52-R56 WeakPolarHBondContact O-CB 3.23Å; V52-R56 PolarHBondContact O-N 3.5Å; V52-A68 HydrophobicContact CG1-CB 3.67Å; V52-I72 HydrophobicContact CG1-CD1 4.27Å; V52-I72 HydrophobicContact CG1-CG1 4.23Å; V52-W75 HydrophobicContact CB-CH2 4.35Å; V52-W75 HydrophobicContact CB-CZ3 4.13Å; V52-W75 HydrophobicContact CG1-CH2 4.44Å; V52-W75 HydrophobicContact CG1-CZ3 4.3Å; V52-W75 HydrophobicContact CG2-CH2 4.01Å; V52-W75 HydrophobicContact CG2-CZ3 4.25Å
53N91.7Very high87.5Confident52 Ų5278.4 Ų78.428%0.27836%0.359SS..Hα-helixtrans-68.9-25.2171.9-175.650.8000112.9G49 M50 R56 K57 I72G49-N53 VanDerWaalsContact O-CB 3.23Å; G49-N53 WeakPolarHBondContact O-CB 3.2Å; G49-N53 PolarHBondContact O-N 2.92Å; G49-N53 VanDerWaalsContact O-N 3.16Å; M50-N53 PolarHBondContact O-N 3.13Å; N53-R56 PolarHBondContact OD1-NH1 2.71Å; N53-R56 VanDerWaalsContact OD1-NH1 3.17Å; N53-K57 WeakPolarHBondContact O-CG 3.37Å; N53-K57 PolarHBondContact O-N 2.69Å; N53-I72 HydrophobicContact CB-CD1 3.9Å
54N89.9Confident87.7Confident56 Ų5677.2 Ų77.230%0.29935%0.353SS..Hα-helixtrans-79.3-38.8174-135.322.6000111.8V18 M50 S51 V52 R56 K57 H58V18-N54 HydrophobicContact CG1-CB 3.91Å; V18-N54 WeakPolarHBondContact CG1-ND2 3.36Å; V18-N54 HydrophobicContact CG2-CB 4.26Å; M50-N54 PolarHBondContact O-N 2.84Å; S51-N54 PolarHBondContact O-N 3.32Å; S51-N54 VanDerWaalsContact O-N 3.13Å; V52-N54 VanDerWaalsContact C-N 3.28Å; V52-N54 PolarHBondContact O-N 3.42Å; N54-R56 VanDerWaalsContact C-N 3.32Å; N54-R56 PolarHBondContact O-N 2.94Å; N54-K57 WeakPolarHBondContact O-CB 3.49Å; N54-K57 PolarHBondContact O-N 2.74Å; N54-H58 PolarHBondContact O-CD2 3.45Å; N54-H58 PolarHBondContact O-N 3.43Å; N54-H58 PolarHBondContact OD1-CD2 2.86Å; N54-H58 PolarHBondContact OD1-NE2 2.93Å
55I88.3Confident88.1Confident2 Ų272 Ų721%0.0133%0.329CS..Hα-helixtrans-57.6-46169.6-68171.4000110.3L14 V18 A26 L30 S51 V52 K57 H58 C59 V64L14-I55 HydrophobicContact CB-CD1 4.07Å; L14-I55 HydrophobicContact CD2-CD1 3.44Å; L14-I55 VanDerWaalsContact CD2-CD1 3.44Å; L14-I55 HydrophobicContact CG-CD1 4.28Å; V18-I55 HydrophobicContact CG2-CD1 4.12Å; V18-I55 HydrophobicContact CG2-CG1 3.45Å; V18-I55 VanDerWaalsContact CG2-CG1 3.45Å; A26-I55 HydrophobicContact CB-CG2 4.34Å; L30-I55 HydrophobicContact CD1-CG2 4.5Å; S51-I55 WeakPolarHBondContact O-CG1 3.46Å; S51-I55 PolarHBondContact O-N 3.45Å; V52-I55 PolarHBondContact O-N 3.48Å; I55-K57 PolarHBondContact O-N 3.38Å; I55-H58 PolarHBondContact O-N 3.44Å; I55-C59 HydrophobicContact CG2-CB 4.14Å; I55-C59 WeakPolarHBondContact O-CB 3.35Å; I55-C59 PolarHBondContact O-N 3.07Å; I55-V64 HydrophobicContact CG2-CG1 3.44Å; I55-V64 VanDerWaalsContact CG2-CG1 3.44Å
56R90.1Very high88.6Confident104 Ų10468.9 Ų68.939%0.39232%0.321SS..Hα-helixtrans-55.1-23.4173.5176.2179.7163.5-94.1-10.5114.3V52 N53 N54 I65 A68 K69V52-R56 WeakPolarHBondContact O-CB 3.23Å; V52-R56 PolarHBondContact O-N 3.5Å; N53-R56 PolarHBondContact OD1-NH1 2.71Å; N53-R56 VanDerWaalsContact OD1-NH1 3.17Å; N54-R56 VanDerWaalsContact C-N 3.32Å; N54-R56 PolarHBondContact O-N 2.94Å; R56-I65 HydrophobicContact CG-CG2 4.3Å; R56-A68 HydrophobicContact CB-CB 3.97Å; R56-K69 HydrophobicContact CG-CG 4.44Å
57K90.1Very high88.8Confident132 Ų13269.3 Ų69.357%0.57432%0.322SS*.Hα-helixtrans-96.9-26.1-179.4-73.8175.8176.6-173.20114.5N53 N54 I55N53-K57 WeakPolarHBondContact O-CG 3.37Å; N53-K57 PolarHBondContact O-N 2.69Å; N54-K57 WeakPolarHBondContact O-CB 3.49Å; N54-K57 PolarHBondContact O-N 2.74Å; I55-K57 PolarHBondContact O-N 3.38Å
58H82.6Confident89.1Confident113 Ų11361.3 Ų61.352%0.52329%0.292SS..Hα-helixtrans-119.4-14.3-169.5-64.8-50000114.4N54 I55N54-H58 PolarHBondContact O-CD2 3.45Å; N54-H58 PolarHBondContact O-N 3.43Å; N54-H58 PolarHBondContact OD1-CD2 2.86Å; N54-H58 PolarHBondContact OD1-NE2 2.93Å; I55-H58 PolarHBondContact O-N 3.44Å
59C84.4Confident89.3Confident11 Ų1165.6 Ų65.67%0.07431%0.311CS..  trans-70154.5167.8-169.80000111T23 I55 D61 V64 I65T23-C59 HydrophobicContact CG2-CB 3.85Å; T23-C59 PolarHBondContact OG1-SG 2.83Å; I55-C59 HydrophobicContact CG2-CB 4.14Å; I55-C59 WeakPolarHBondContact O-CB 3.35Å; I55-C59 PolarHBondContact O-N 3.07Å; C59-D61 PolarHBondContact SG-N 3.24Å; C59-D61 VanDerWaalsContact SG-N 3.39Å; C59-D61 PolarHBondContact SG-OD2 3.41Å; C59-V64 HydrophobicContact CB-CG1 4.08Å; C59-V64 WeakPolarHBondContact SG-CB 3.24Å; C59-V64 WeakPolarHBondContact SG-CG1 3.42Å; C59-I65 HydrophobicContact CB-CG1 4.21Å
60R85.9Confident89.5Confident232 Ų23268.4 Ų68.488%0.87532%0.323SS*.  trans-109-7.9175.8-62.8177.2-177.9155.80.3112.8
61D87.1Confident89.6Confident80 Ų8062.9 Ų62.943%0.42830%0.296SS..  trans-92.7110.5-171-46.2-66.5000109.9C59 E63 V64 I65C59-D61 PolarHBondContact SG-N 3.24Å; C59-D61 VanDerWaalsContact SG-N 3.39Å; C59-D61 PolarHBondContact SG-OD2 3.41Å; D61-E63 PolarHBondContact O-N 2.98Å; D61-E63 VanDerWaalsContact O-N 3.13Å; D61-V64 HydrophobicContact CB-CB 4.16Å; D61-V64 HydrophobicContact CB-CG2 3.89Å; D61-V64 WeakPolarHBondContact O-CB 3.25Å; D61-V64 PolarHBondContact O-N 3.37Å; D61-I65 WeakPolarHBondContact O-CG1 3.34Å; D61-I65 PolarHBondContact O-N 3.23Å
62E89.2Confident89.7Confident121 Ų12164.3 Ų64.357%0.56530%0.303SS*.Hα-helixtrans-61.3-25-174.9-83.1-61.814800113.8S66 K69E62-S66 WeakPolarHBondContact O-CB 3.45Å; E62-S66 PolarHBondContact O-N 3.23Å; E62-S66 PolarHBondContact O-OG 3.11Å; E62-K69 IonicContact OE2-NZ 2.76Å; E62-K69 PolarHBondContact OE2-NZ 3.32Å; E62-K69 VanDerWaalsContact OE2-NZ 3.13Å
63E89.1Confident89.7Confident135 Ų13572 Ų7263%0.63134%0.337SS*.Hα-helixtrans-64.6-43.6170-69-166.9-16800112.4I27 D61 S66 L67I27-E63 HydrophobicContact CD1-CB 3.94Å; I27-E63 VanDerWaalsContact CD1-OE2 3.27Å; I27-E63 WeakPolarHBondContact CD1-OE2 3.49Å; D61-E63 PolarHBondContact O-N 2.98Å; D61-E63 VanDerWaalsContact O-N 3.13Å; E63-S66 WeakPolarHBondContact CA-OG 2.81Å; E63-S66 PolarHBondContact O-OG 3.31Å; E63-S66 VanDerWaalsContact O-OG 3.06Å; E63-L67 WeakPolarHBondContact O-CB 3.28Å; E63-L67 PolarHBondContact O-N 3.06Å
64V89.8Confident89.6Confident4 Ų473.1 Ų73.12%0.02434%0.34CS..Hα-helixtrans-67.5-43.6176.81770000110A26 I27 L30 I55 C59 D61 A68A26-V64 HydrophobicContact CB-CG1 4.12Å; I27-V64 HydrophobicContact CB-CG2 3.73Å; I27-V64 HydrophobicContact CG1-CG2 4.21Å; L30-V64 HydrophobicContact CD1-CG1 3.77Å; I55-V64 HydrophobicContact CG2-CG1 3.44Å; I55-V64 VanDerWaalsContact CG2-CG1 3.44Å; C59-V64 HydrophobicContact CB-CG1 4.08Å; C59-V64 WeakPolarHBondContact SG-CB 3.24Å; C59-V64 WeakPolarHBondContact SG-CG1 3.42Å; D61-V64 HydrophobicContact CB-CB 4.16Å; D61-V64 HydrophobicContact CB-CG2 3.89Å; D61-V64 WeakPolarHBondContact O-CB 3.25Å; D61-V64 PolarHBondContact O-N 3.37Å; V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.32Å; V64-A68 PolarHBondContact O-N 3.02Å
65I91.1Very high89.6Confident16 Ų1671.1 Ų71.18%0.08233%0.328CS..Hα-helixtrans-65.4-43179.7-58.9167000110.5R56 C59 D61 K69R56-I65 HydrophobicContact CG-CG2 4.3Å; C59-I65 HydrophobicContact CB-CG1 4.21Å; D61-I65 WeakPolarHBondContact O-CG1 3.34Å; D61-I65 PolarHBondContact O-N 3.23Å; I65-K69 HydrophobicContact CG2-CD 4.04Å; I65-K69 VanDerWaalsContact CG2-CE 3.42Å; I65-K69 HydrophobicContact CG2-CG 4.5Å; I65-K69 WeakPolarHBondContact O-CB 3.38Å; I65-K69 WeakPolarHBondContact O-CD 3.49Å; I65-K69 WeakPolarHBondContact O-CG 3.46Å; I65-K69 PolarHBondContact O-N 2.86Å
66S93.5Very high89.5Confident54 Ų5477.1 Ų77.138%0.37835%0.354SS..Hα-helixtrans-68-43.6177.358.80000112.8E62 E63 A68 K69 V70E62-S66 WeakPolarHBondContact O-CB 3.45Å; E62-S66 PolarHBondContact O-N 3.23Å; E62-S66 PolarHBondContact O-OG 3.11Å; E63-S66 WeakPolarHBondContact CA-OG 2.81Å; E63-S66 PolarHBondContact O-OG 3.31Å; E63-S66 VanDerWaalsContact O-OG 3.06Å; S66-A68 VanDerWaalsContact C-N 3.35Å; S66-A68 PolarHBondContact O-N 3.43Å; S66-K69 WeakPolarHBondContact O-CB 3.32Å; S66-K69 PolarHBondContact O-N 3.07Å; S66-V70 WeakPolarHBondContact O-CG2 3.37Å; S66-V70 PolarHBondContact O-N 3.45Å
67L91.8Very high89.3Confident27 Ų2779.1 Ų79.114%0.14136%0.362CS..Hα-helixtrans-62.8-41.3174.9-173.755.6000111.7L30 K31 K34 E63 V70 L71L30-L67 HydrophobicContact CB-CD2 3.57Å; L30-L67 HydrophobicContact CB-CG 3.9Å; K31-L67 HydrophobicContact CG-CD2 3.86Å; K34-L67 HydrophobicContact CD-CD1 4.01Å; E63-L67 WeakPolarHBondContact O-CB 3.28Å; E63-L67 PolarHBondContact O-N 3.06Å; L67-V70 PolarHBondContact O-N 3.33Å; L67-L71 HydrophobicContact CG-CD1 4.48Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 2.97Å
68A92Very high88.7Confident0 Ų076.1 Ų76.10%035%0.352CS..Hα-helixtrans-64.8-41.3172.500000112.8L30 V52 R56 V64 S66 V70 L71 I72L30-A68 HydrophobicContact CD1-CB 4.09Å; V52-A68 HydrophobicContact CG1-CB 3.67Å; R56-A68 HydrophobicContact CB-CB 3.97Å; V64-A68 VanDerWaalsContact O-CB 3.23Å; V64-A68 WeakPolarHBondContact O-CB 3.32Å; V64-A68 PolarHBondContact O-N 3.02Å; S66-A68 VanDerWaalsContact C-N 3.35Å; S66-A68 PolarHBondContact O-N 3.43Å; A68-V70 VanDerWaalsContact C-N 3.3Å; A68-V70 PolarHBondContact O-N 3.24Å; A68-L71 PolarHBondContact O-N 3.35Å; A68-I72 WeakPolarHBondContact O-CB 3.16Å; A68-I72 WeakPolarHBondContact O-CD1 3.43Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 2.56Å
69K93.1Very high88.2Confident90 Ų9074.7 Ų74.739%0.39135%0.348SS..Hα-helixtrans-56.7-42.4172.9-75.4156.7178.5156.30110.6R56 E62 I65 S66 K73R56-K69 HydrophobicContact CG-CG 4.44Å; E62-K69 IonicContact OE2-NZ 2.76Å; E62-K69 PolarHBondContact OE2-NZ 3.32Å; E62-K69 VanDerWaalsContact OE2-NZ 3.13Å; I65-K69 HydrophobicContact CG2-CD 4.04Å; I65-K69 VanDerWaalsContact CG2-CE 3.42Å; I65-K69 HydrophobicContact CG2-CG 4.5Å; I65-K69 WeakPolarHBondContact O-CB 3.38Å; I65-K69 WeakPolarHBondContact O-CD 3.49Å; I65-K69 WeakPolarHBondContact O-CG 3.46Å; I65-K69 PolarHBondContact O-N 2.86Å; S66-K69 WeakPolarHBondContact O-CB 3.32Å; S66-K69 PolarHBondContact O-N 3.07Å; K69-K73 PolarHBondContact O-N 3.38Å; K69-K73 VanDerWaalsContact O-N 3.16Å
70V92.6Very high87.6Confident81 Ų8179.2 Ų79.249%0.49137%0.371SS..Hα-helixtrans-67.7-48.9178.81710000112.1S66 L67 A68 I72 K73 E74S66-V70 WeakPolarHBondContact O-CG2 3.37Å; S66-V70 PolarHBondContact O-N 3.45Å; L67-V70 PolarHBondContact O-N 3.33Å; A68-V70 VanDerWaalsContact C-N 3.3Å; A68-V70 PolarHBondContact O-N 3.24Å; V70-I72 VanDerWaalsContact C-N 3.34Å; V70-I72 PolarHBondContact O-N 2.97Å; V70-K73 WeakPolarHBondContact O-CB 3.25Å; V70-K73 PolarHBondContact O-N 3.39Å; V70-K73 VanDerWaalsContact O-N 3.1Å; V70-E74 PolarHBondContact O-N 3.2Å
71L89.8Confident86.6Confident8 Ų871.5 Ų71.54%0.04235%0.353CS..Hα-helixtrans-58.6-44.4178.7-71.5166.9000112L30 L33 K34 L67 A68 K73 E74 W75L30-L71 HydrophobicContact CB-CD1 4.14Å; L30-L71 HydrophobicContact CD2-CD1 3.87Å; L33-L71 HydrophobicContact CD2-CD1 4.44Å; K34-L71 HydrophobicContact CB-CD2 4.02Å; K34-L71 HydrophobicContact CG-CD2 4.34Å; L67-L71 HydrophobicContact CG-CD1 4.48Å; L67-L71 WeakPolarHBondContact O-CG 3.49Å; L67-L71 PolarHBondContact O-N 2.97Å; A68-L71 PolarHBondContact O-N 3.35Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 3Å; L71-E74 PolarHBondContact O-N 2.86Å; L71-W75 HydrophobicContact CB-CH2 3.93Å; L71-W75 HydrophobicContact CB-CZ2 3.93Å; L71-W75 HydrophobicContact CB-CZ3 4.29Å; L71-W75 HydrophobicContact CD2-CZ2 4.01Å; L71-W75 HydrophobicContact CG-CZ2 4.4Å; L71-W75 VanDerWaalsContact O-CD2 3.29Å; L71-W75 VanDerWaalsContact O-CG 3.28Å; L71-W75 PolarHBondContact O-N 2.77Å
72I91Very high84.9Confident32 Ų3269.9 Ų69.916%0.16436%0.355CS..Hα-helixtrans-63.9-35.5176.9-66.8164.5000111.5V52 N53 A68 V70 K76V52-I72 HydrophobicContact CG1-CD1 4.27Å; V52-I72 HydrophobicContact CG1-CG1 4.23Å; N53-I72 HydrophobicContact CB-CD1 3.9Å; A68-I72 WeakPolarHBondContact O-CB 3.16Å; A68-I72 WeakPolarHBondContact O-CD1 3.43Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 2.56Å; V70-I72 VanDerWaalsContact C-N 3.34Å; V70-I72 PolarHBondContact O-N 2.97Å; I72-K76 WeakPolarHBondContact O-CB 3.45Å; I72-K76 WeakPolarHBondContact O-CG 3.46Å; I72-K76 PolarHBondContact O-N 2.72Å; I72-K76 VanDerWaalsContact O-N 3.11Å
73K91.1Very high82.9Confident163 Ų16370 Ų7071%0.70936%0.36SS*.Hα-helixtrans-66.5-41.9175.5-173.7-179.5178.3-1770111.4K69 V70 L71 K76 R77K69-K73 PolarHBondContact O-N 3.38Å; K69-K73 VanDerWaalsContact O-N 3.16Å; V70-K73 WeakPolarHBondContact O-CB 3.25Å; V70-K73 PolarHBondContact O-N 3.39Å; V70-K73 VanDerWaalsContact O-N 3.1Å; L71-K73 VanDerWaalsContact C-N 3.31Å; L71-K73 PolarHBondContact O-N 3Å; K73-K76 PolarHBondContact O-N 3.18Å; K73-R77 PolarHBondContact O-N 3.16Å; K73-R77 VanDerWaalsContact O-N 3.12Å
74E88.8Confident80.7Confident74 Ų7468.1 Ų68.135%0.34636%0.361SS..Hα-helixtrans-65.8-46.6179.2-168.156.1-119.900111.7V70 L71 K76 R77 L78V70-E74 PolarHBondContact O-N 3.2Å; L71-E74 PolarHBondContact O-N 2.86Å; E74-K76 VanDerWaalsContact C-N 3.3Å; E74-K76 PolarHBondContact O-N 3.21Å; E74-R77 WeakPolarHBondContact O-CB 3.27Å; E74-R77 PolarHBondContact O-N 3.23Å; E74-R77 VanDerWaalsContact O-N 3.1Å; E74-R77 IonicContact OE1-CZ 3.46Å; E74-R77 VanDerWaalsContact OE1-CZ 3.23Å; E74-R77 IonicContact OE1-NE 3.43Å; E74-R77 PolarHBondContact OE1-NE 3.02Å; E74-R77 IonicContact OE1-NH2 3.62Å; E74-R77 PolarHBondContact OE1-NH2 3.41Å; E74-R77 IonicContact OE2-CZ 2.8Å; E74-R77 IonicContact OE2-NE 2.69Å; E74-R77 IonicContact OE2-NH2 3.59Å; E74-R77 PolarHBondContact OE2-NH2 3.11Å; E74-L78 PolarHBondContact O-N 3.22Å; E74-L78 VanDerWaalsContact O-N 3.13Å
75W89.4Confident78.5Confident15 Ų1574.4 Ų74.46%0.05739%0.39CS..Hα-helixtrans-68.7-27.5179-54.3-27.6000113.6L33 M38 L43 I48 V52 L71 L78 L79L33-W75 HydrophobicContact CD1-CZ2 4.38Å; L33-W75 HydrophobicContact CD2-CH2 3.62Å; L33-W75 HydrophobicContact CD2-CZ2 3.85Å; L33-W75 HydrophobicContact CG-CH2 4.23Å; L33-W75 HydrophobicContact CG-CZ2 3.93Å; M38-W75 HydrophobicContact CE-CZ2 3.76Å; M38-W75 HydrophobicContact CG-CG 4.23Å; L43-W75 HydrophobicContact CD1-CB 4.2Å; L43-W75 HydrophobicContact CD1-CD2 3.72Å; L43-W75 HydrophobicContact CD1-CE3 3.68Å; L43-W75 HydrophobicContact CD1-CG 3.98Å; L43-W75 HydrophobicContact CD1-CZ3 4.31Å; L43-W75 HydrophobicContact CD2-CB 4.05Å; I48-W75 HydrophobicContact CG2-CH2 4.47Å; V52-W75 HydrophobicContact CB-CH2 4.35Å; V52-W75 HydrophobicContact CB-CZ3 4.13Å; V52-W75 HydrophobicContact CG1-CH2 4.44Å; V52-W75 HydrophobicContact CG1-CZ3 4.3Å; V52-W75 HydrophobicContact CG2-CH2 4.01Å; V52-W75 HydrophobicContact CG2-CZ3 4.25Å; L71-W75 HydrophobicContact CB-CH2 3.93Å; L71-W75 HydrophobicContact CB-CZ2 3.93Å; L71-W75 HydrophobicContact CB-CZ3 4.29Å; L71-W75 HydrophobicContact CD2-CZ2 4.01Å; L71-W75 HydrophobicContact CG-CZ2 4.4Å; L71-W75 VanDerWaalsContact O-CD2 3.29Å; L71-W75 VanDerWaalsContact O-CG 3.28Å; L71-W75 PolarHBondContact O-N 2.77Å; W75-L78 PolarHBondContact O-N 2.56Å; W75-L79 PolarHBondContact O-N 3.31Å
76K86.2Confident75.9Confident127 Ų12778.7 Ų78.755%0.55242%0.422SS*.Hα-helixtrans-63.6-47.2167.2-81-174170.4-154.40111.6I72 K73 E74 L78 L79 D80I72-K76 WeakPolarHBondContact O-CB 3.45Å; I72-K76 WeakPolarHBondContact O-CG 3.46Å; I72-K76 PolarHBondContact O-N 2.72Å; I72-K76 VanDerWaalsContact O-N 3.11Å; K73-K76 PolarHBondContact O-N 3.18Å; E74-K76 VanDerWaalsContact C-N 3.3Å; E74-K76 PolarHBondContact O-N 3.21Å; K76-L78 PolarHBondContact O-N 2.7Å; K76-L78 VanDerWaalsContact O-N 3.16Å; K76-L79 WeakPolarHBondContact O-CA 3.38Å; K76-L79 WeakPolarHBondContact O-CB 3.3Å; K76-L79 PolarHBondContact O-N 2.81Å; K76-D80 PolarHBondContact O-N 3.47Å; K76-D80 VanDerWaalsContact O-OD2 3.09Å
77R85.8Confident73.5Confident146 Ų14684.6 Ų84.655%0.55144%0.443SS*.Hα-helixtrans-55.5-35.6175.8-176.9169.669154.3-2.1112.4K73 E74 S81K73-R77 PolarHBondContact O-N 3.16Å; K73-R77 VanDerWaalsContact O-N 3.12Å; E74-R77 WeakPolarHBondContact O-CB 3.27Å; E74-R77 PolarHBondContact O-N 3.23Å; E74-R77 VanDerWaalsContact O-N 3.1Å; E74-R77 IonicContact OE1-CZ 3.46Å; E74-R77 VanDerWaalsContact OE1-CZ 3.23Å; E74-R77 IonicContact OE1-NE 3.43Å; E74-R77 PolarHBondContact OE1-NE 3.02Å; E74-R77 IonicContact OE1-NH2 3.62Å; E74-R77 PolarHBondContact OE1-NH2 3.41Å; E74-R77 IonicContact OE2-CZ 2.8Å; E74-R77 IonicContact OE2-NE 2.69Å; E74-R77 IonicContact OE2-NH2 3.59Å; E74-R77 PolarHBondContact OE2-NH2 3.11Å; R77-S81 VanDerWaalsContact O-CB 3.24Å; R77-S81 WeakPolarHBondContact O-CB 3.34Å; R77-S81 PolarHBondContact O-N 3.48Å; R77-S81 PolarHBondContact O-OG 3.43Å
78L77.4Confident71Confident70 Ų7091.9 Ų91.937%0.36647%0.474SS..Hα-helixtrans-68.7-35174.9-64.3175.3000113.5M38 E74 W75 K76 G82M38-L78 HydrophobicContact CB-CD1 4.25Å; M38-L78 WeakPolarHBondContact O-CD1 3.25Å; E74-L78 PolarHBondContact O-N 3.22Å; E74-L78 VanDerWaalsContact O-N 3.13Å; W75-L78 PolarHBondContact O-N 2.56Å; K76-L78 PolarHBondContact O-N 2.7Å; K76-L78 VanDerWaalsContact O-N 3.16Å; L78-G82 PolarHBondContact O-N 3.34Å
79L73.1Confident68.5Low82 Ų8296.9 Ų96.943%0.42950%0.504SS..Hα-helixtrans-67.3-50171.3-77.4155.7000110.9L40 L43 W75 K76 S81 G82 N83L40-L79 HydrophobicContact CD1-CD2 3.38Å; L40-L79 HydrophobicContact CD1-CG 4.22Å; L43-L79 HydrophobicContact CD2-CD1 4.45Å; W75-L79 PolarHBondContact O-N 3.31Å; K76-L79 WeakPolarHBondContact O-CA 3.38Å; K76-L79 WeakPolarHBondContact O-CB 3.3Å; K76-L79 PolarHBondContact O-N 2.81Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.28Å; L79-G82 PolarHBondContact O-N 3.46Å; L79-N83 PolarHBondContact O-N 3.21Å
80D72.6Confident65.8Low107 Ų107100.6 Ų100.657%0.57253%0.528SS*.Hα-helixtrans-63.1-40.9-176.8-56.2-35.8000111K76 N83 S84K76-D80 PolarHBondContact O-N 3.47Å; K76-D80 VanDerWaalsContact O-OD2 3.09Å; D80-N83 PolarHBondContact O-N 3.19Å; D80-S84 PolarHBondContact O-OG 3.1Å
81S63.4Low63.2Low69 Ų69105.7 Ų105.748%0.48355%0.547SS..Hα-helixtrans-70.6-32.1177-53.40000113.1R77 L79 N83 S84R77-S81 VanDerWaalsContact O-CB 3.24Å; R77-S81 WeakPolarHBondContact O-CB 3.34Å; R77-S81 PolarHBondContact O-N 3.48Å; R77-S81 PolarHBondContact O-OG 3.43Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.28Å; S81-N83 VanDerWaalsContact C-N 3.28Å; S81-N83 PolarHBondContact O-N 3.1Å; S81-S84 PolarHBondContact O-N 3.48Å
82G53.1Low60.9Low47 Ų47113.5 Ų113.549%0.48559%0.588SS.*Hα-helixtrans-65.2-31.9177.400000112.8L78 L79 S84L78-G82 PolarHBondContact O-N 3.34Å; L79-G82 PolarHBondContact O-N 3.46Å; G82-S84 VanDerWaalsContact C-N 3.31Å; G82-S84 PolarHBondContact O-N 3.07Å
83N46.7Very low58.4Low123 Ų123121.5 Ų121.566%0.65862%0.621SS**Hα-helixtrans-75.3-18.4178.4-150.6111000113L79 D80 S81L79-N83 PolarHBondContact O-N 3.21Å; D80-N83 PolarHBondContact O-N 3.19Å; S81-N83 VanDerWaalsContact C-N 3.28Å; S81-N83 PolarHBondContact O-N 3.1Å
84S42.3Very low55.6Low95 Ų95122.1 Ų122.166%0.66463%0.632SS**THydrogen-bonded Turntrans-87.2-8-178.9-53.30000114.7D80 S81 G82D80-S84 PolarHBondContact O-OG 3.1Å; S81-S84 PolarHBondContact O-N 3.48Å; G82-S84 VanDerWaalsContact C-N 3.31Å; G82-S84 PolarHBondContact O-N 3.07Å
85H44.5Very low52.7Low137 Ų137122.1 Ų122.163%0.63465%0.652SS**SBendtrans-108.90.3-173.9-144.9-55.6000114.1
86S36.2Very low50.1Low106 Ų106129.2 Ų129.274%0.74169%0.69SS**THydrogen-bonded Turntrans-86.2-14.8179.7-165.20000114.3
87E42.5Very low47.5Very low177 Ų177130.1 Ų130.183%0.82770%0.701SS**THydrogen-bonded Turntrans-104.216.4-178.2-66.2-179.395.500112.7
88K39.8Very low45.1Very low180 Ų180126.8 Ų126.878%0.78371%0.705SS**SBendtrans-145.552.1-172-133.9169.3-171173.80114.5
89V38.3Very low42.9Very low106 Ų106135 Ų13564%0.64273%0.731SS**SBendtrans-132.6-29.9176.4-176.10000113.5
90D36.8Very low41.1Very low167 Ų167140.5 Ų140.589%0.89375%0.752SS**SBendtrans-82.1-12.7-173.1-95-85.6000116.3
91E37.9Very low39.9Very low189 Ų189140.3 Ų140.388%0.88376%0.756SS**SBendtrans-107.581.7173.2-78.8-159.691.200112.2
92L42.2Very low38.2Very low172 Ų172141.5 Ų141.590%0.90177%0.77SS**  trans-173.661.1150.1-107.8163.7000114.1
93K37.7Very low37.1Very low199 Ų199143.8 Ų143.887%0.86578%0.784SS**SBendtrans-150.964.7163-153.9176.7-177.8178.90116.4
94N32.3Very low36.3Very low176 Ų176142.2 Ų142.294%0.94179%0.789SS**  trans-165.7148146.1-99.5-22000109.5
95G28.3Very low35.6Very low74 Ų74143.3 Ų143.376%0.76379%0.791SS**  trans117.988.4175.100000115.3
96L34.3Very low34.9Very low164 Ų164143.4 Ų143.486%0.85980%0.796SS**  trans-86.4160.7146.4-56.8170.5000106.4
97D32Very low34.6Very low147 Ų147143.6 Ų143.679%0.78680%0.798SS**  cis-161.8-178.625.1-143.9-51.2000112.3
98A34.9Very low33.9Very low76 Ų76140.1 Ų140.163%0.62879%0.793SS**  trans72.499.8153.700000124.2
99R32.4Very low33.4Very low241 Ų241136.1 Ų136.191%0.90979%0.788SS**  66.2104.9125.3-65.1177.1173.3-118-1.7124
100K34.8Very low32.9Very low199 Ų199136.1 Ų136.187%0.86579%0.793SS**  30.6154.8112.5-107.8-146.8161.4-1750121
101P46.8Very low32.7Very low103 Ų103137.1 Ų137.167%0.66979%0.792SS**  cis-141.8177.8-41.339.7-22.3000116.2
102A29.4Very low32.7Very low93 Ų93133.3 Ų133.377%0.76978%0.783SS**  133.4147.7123.300000118.3
103A28.8Very low32.1Very low96 Ų96134 Ų13479%0.79378%0.782SS**  trans61.2125.3161.700000118.1
104A30.3Very low31.8Very low90 Ų90129 Ų12974%0.74477%0.773SS**  66.8134.377.600000113.3
105T27.5Very low31.7Very low117 Ų117132 Ų13272%0.71877%0.771SS**  cis-162.5163.814.2-9.10000112.3
106N29.2Very low31.8Very low139 Ų139136.8 Ų136.874%0.74377%0.77SS**  trans57.5110.4146.2-67.1-1.9000124
107S29.7Very low31.7Very low110 Ų110135.4 Ų135.477%0.76976%0.764SS**  64.8118.9120.672.30000124.9
108S29.4Very low31.7Very low105 Ų105131.1 Ų131.173%0.73475%0.754SS**  96.1118.7125.1-149.40000123.5
109S27.6Very low31.5Very low96 Ų96136.2 Ų136.267%0.67176%0.762SS**  trans68.9129.2132.859.30000125
110S28.6Very low31.2Very low106 Ų106131.6 Ų131.674%0.74175%0.751SS**  trans73.298.2137.258.90000123.3
111E32.3Very low31.1Very low187 Ų187127.2 Ų127.287%0.87475%0.745SS**  63.8167.1111.2-105.8-160.8130.900122.2
112P37.9Very low30.2Very low109 Ų109127.4 Ų127.471%0.70875%0.749SS**  -124.6176.4-109.141.8-26.6000118.1
113Q30.5Very low30.2Very low186 Ų186127.5 Ų127.587%0.86974%0.744SS**  trans-92.2170.2174.5-65.2173.2-2200112
114S30.2Very low30.2Very low96 Ų96134.4 Ų134.467%0.67175%0.75SS**  cis-176.5145-36.662.20000110.9
115R31.3Very low30.2Very low239 Ų239138.1 Ų138.190%0.90275%0.751SS**  trans35126.3147.7-55.6178.6-176.9-174.60.3119.6
116K30.3Very low31Very low173 Ų173138.7 Ų138.775%0.75276%0.757SS**  cis66.1134.340.6-147-165.5-173.4-76.50112.8
117D32.4Very low31.1Very low135 Ų135140.6 Ų140.672%0.72276%0.761SS**  cis-129-172.615.8-103.8-58.2000111.1
118G30.3Very low31Very low57 Ų57141.2 Ų141.259%0.58877%0.766SS**  cis161.2-172.50.200000112.1
119K31.5Very low31.2Very low183 Ų183144.7 Ų144.780%0.79677%0.77SS**  trans67.2151.7177.3-77.4-174.1164-780118.1
120E27Very low31.8Very low145 Ų145146 Ų14668%0.67878%0.776SS**  cis-164.7142.9-23.6-167.9160.8104.100112.4
121S32.3Very low31.8Very low106 Ų106145.1 Ų145.174%0.74178%0.776SS**  trans28.1128.5158-560000124.8
122S28.5Very low31.8Very low108 Ų108141.7 Ų141.776%0.75577%0.773SS**  151.1132.595.8-159.90000118.2
123S29.7Very low32.5Very low95 Ų95142.3 Ų142.366%0.66478%0.776SS**  trans71.7120140.9-70.50000126.5
124R28Very low33.3Very low240 Ų240139.1 Ų139.191%0.90677%0.772SS**  trans97.6139.5131.8-70.9172.2-171-124.20.1122.7
125H30.6Very low34.2Very low168 Ų168140.3 Ų140.378%0.77878%0.777SS**  trans-86.7172.9171.3-71.5-86000112.5
126P42.7Very low34.2Very low129 Ų129138.3 Ų138.384%0.83878%0.775SS**  -122.4-177.896.4-3.324.6000116.2
127H32Very low34.2Very low179 Ų179141.2 Ų141.283%0.82978%0.781SS**  trans-100.5159.8-174.2-72.5-117.2000114.7
128S28.6Very low34.5Very low123 Ų123141.1 Ų141.186%0.8679%0.788SS**  trans-155.1139.2135.454.30000111.9
129Q33.2Very low34.4Very low178 Ų178143.2 Ų143.283%0.83280%0.8SS**  trans-120.4166.8177.6-133.3-175.219.200109.2
130P39.4Very low34.3Very low123 Ų123139 Ų13980%0.79980%0.799SS**  -145.3-174.172.320.56.1000113.7
131A28.5Very low34.3Very low88 Ų88140.1 Ų140.173%0.72780%0.804SS**  cis-164.3-172.7-23.700000109.4
132S33.5Very low34.2Very low116 Ų116140.3 Ų140.381%0.81180%0.801SS**  trans-137.1168.6-170.5-55.50000114.6
133P52.2Low34.2Very low121 Ų121145.4 Ų145.479%0.78681%0.809SS**  trans-113.2165.3-158.441.5-36.1000119.1
134P48.1Very low34.3Very low119 Ų119150.3 Ų150.377%0.77382%0.819SS**  trans-129.7-157.4148.842.9-29000110.8
135P47.3Very low34.4Very low122 Ų122146.9 Ų146.979%0.79281%0.813SS**  cis-127-150.9-20.942.4-24.3000112.8
136K32.9Very low34.6Very low196 Ų196150 Ų15085%0.85282%0.818SS**  trans-152.7143.3169.4-71.8-178.8-178.3170.30114.9
137R30.1Very low34.2Very low234 Ų234152.7 Ų152.788%0.88382%0.816SS**  trans54.2150.5147.2-70.7-169.6177.1-170.8-0.6120.9
138P38.5Very low34.5Very low134 Ų134150.5 Ų150.587%0.8782%0.815SS**  -131.6-156.38137.8-22.7000114.1
139A28.1Very low35.1Very low100 Ų100149.9 Ų149.983%0.82681%0.808SS**  trans-147.1154.9-163.800000116.9
140A29.7Very low35.5Very low95 Ų95147.4 Ų147.479%0.78581%0.808SS**  trans-169.4164.9172.600000107.9
141E27.5Very low35.6Very low168 Ų168147.2 Ų147.279%0.78580%0.8SS**  cis-156.7-173-14.1-126.2-55.6-72.200110.5
142V29.6Very low36.6Very low110 Ų110148.7 Ų148.767%0.66780%0.803SS**  trans-95.7136.6-170.1169.50000115
143K27.6Very low37.5Very low215 Ų215149.8 Ų149.894%0.93580%0.799SS**  trans-153.6159.5131.8-118.6167.4-172.5172.50113.4
144K33.3Very low37Very low199 Ų199147.8 Ų147.887%0.86579%0.793SS**  trans-130.4118.7-156.6172.8-175.3-179.3178.50109.8
145E29.6Very low36.8Very low167 Ų167148.4 Ų148.478%0.7880%0.797SS**  trans-126.7156169.9-147.1-172.6104.200111.2
146R35Very low36.9Very low234 Ų234150.4 Ų150.488%0.88380%0.799SS**  trans-126.9115.8-163171.9-170.4-178.5-174.41.6108.8
147K33.1Very low37.4Very low185 Ų185144.9 Ų144.980%0.80479%0.79SS**  trans-119.5146.7170.3-71.4-167.1175.5-179.40113
148V39.3Very low38.2Very low133 Ų133139.9 Ų139.981%0.80679%0.788SS**PPolyproline II helixtrans-73.7147.9-160.7-174.50000111
149P41.9Very low38.6Very low110 Ų110141 Ų14171%0.71479%0.786SS**PPolyproline II helixtrans-63.5149.8169.828.2-36.8000111.8
150P40.5Very low39.1Very low127 Ų127142 Ų14283%0.82578%0.784SS**PPolyproline II helixtrans-71.6150.9177.730-34.8000112.8
151D41.6Very low39.9Very low118 Ų118145.5 Ų145.563%0.63179%0.789SS**PPolyproline II helixtrans-71134.1-179.1-170.5-40.7000112.1N153D151-N153 VanDerWaalsContact C-N 3.28Å; D151-N153 PolarHBondContact O-N 2.74Å; D151-N153 PolarHBondContact OD1-N 3.28Å
152P49.4Very low41.1Very low120 Ų120145.9 Ų145.978%0.77979%0.79SS**THydrogen-bonded Turntrans-72.1-3.3177.429-35000116.2
153N52.4Low41.8Very low139 Ų139148.9 Ų148.974%0.74380%0.802SS**THydrogen-bonded Turntrans-119.632.1-172.8-71.8-80.6000115.7D151D151-N153 VanDerWaalsContact C-N 3.28Å; D151-N153 PolarHBondContact O-N 2.74Å; D151-N153 PolarHBondContact OD1-N 3.28Å
154A42.8Very low42.7Very low79 Ų79147 Ų14765%0.65380%0.796SS**PPolyproline II helixtrans-77.9125.8167.700000111.6
155P43.6Very low43.4Very low132 Ų132142.6 Ų142.686%0.85779%0.788SS**PPolyproline II helixtrans-74.1133.8-176.328.6-34.5000113
156I47.9Very low44.3Very low163 Ų163140.3 Ų140.384%0.83679%0.787SS**PPolyproline II helixtrans-75.8130.4-178.3-61170.9000110.9
157A43.8Very low45.1Very low81 Ų81134.5 Ų134.567%0.66978%0.78SS**PPolyproline II helixtrans-76.8134.9170.400000111.2
158P46.6Very low45.5Very low129 Ų129131.6 Ų131.684%0.83878%0.78SS**PPolyproline II helixtrans-75.7135.6-174.929.8-34.9000112.8
159L48.7Very low45.4Very low157 Ų157137 Ų13782%0.82279%0.786SS**PPolyproline II helixtrans-89.1160.4171.8-72.6174.5000112.2
160P38Very low45.1Very low122 Ų122141.5 Ų141.579%0.79279%0.794SS**PPolyproline II helixtrans-67.1138.6-169.3-23.135.4000115.6H162P160-H162 PolarHBondContact O-N 3.19Å
161L45.8Very low45.4Very low167 Ų167144.1 Ų144.187%0.87480%0.795SS**  trans-79.475.7179.5-73.3169.8000113.1
162H53.4Low45.7Very low177 Ų177144.1 Ų144.182%0.81980%0.801SS**  trans-151.874.3162.8-134.372.3000115.1P160P160-H162 PolarHBondContact O-N 3.19Å
163L43.7Very low45.6Very low173 Ų173144.2 Ų144.291%0.90680%0.802SS**  trans-175.385.1152.4-104159.4000110.1
164H46.5Very low45.3Very low175 Ų175143 Ų14381%0.8180%0.795SS**  trans-124.2125.7168.7-114.9-89.8000109
165P48Very low45.5Very low107 Ų107145 Ų14570%0.69580%0.802SS**PPolyproline II helixtrans-62.6143.4170.4-20.532.7000110.7
166P48.2Very low45.9Very low119 Ų119145.3 Ų145.377%0.77380%0.796SS**PPolyproline II helixtrans-64.3138.5173.227.6-33.8000110.2
167P52.7Low46.4Very low112 Ų112141 Ų14173%0.72779%0.785SS**PPolyproline II helixtrans-66.4149.2178.927.9-34.7000111.2R169P167-R169 PolarHBondContact O-N 3.38Å
168P41.9Very low46.2Very low124 Ų124143 Ų14381%0.80579%0.791SS**PPolyproline II helixtrans-62.5132.1178.326.2-34.1000110.6K170P168-K170 PolarHBondContact O-N 2.7Å
169R35.4Very low46Very low247 Ų247145 Ų14593%0.93279%0.794SS**PPolyproline II helixtrans-64.3124.5170.9-69-175.3177.8-169.7-0.3108.7P167P167-R169 PolarHBondContact O-N 3.38Å
170K37.2Very low45.7Very low203 Ų203145.1 Ų145.188%0.88380%0.795SS**PPolyproline II helixtrans-75130.4165.5-64.5-177.9179.2-178.20108.5P168P168-K170 PolarHBondContact O-N 2.7Å
171E45.4Very low45.7Very low183 Ų183145.1 Ų145.186%0.85580%0.795SS**PPolyproline II helixtrans-68.5151.1164.3-69.5-178.410400110
172P49.2Very low45.3Very low117 Ų117144.9 Ų144.976%0.7679%0.794SS**PPolyproline II helixtrans-67.7144.9171.230.1-34.3000110.5
173P46.3Very low44.5Very low123 Ų123142.8 Ų142.880%0.79980%0.796SS**PPolyproline II helixtrans-71.2151.8-17729.3-35.4000113.3
174D46.6Very low44Very low112 Ų112142 Ų14260%0.59979%0.791SS**PPolyproline II helixtrans-63.4129173.7-173.8-35.1000111.2N176D174-N176 PolarHBondContact O-N 2.7Å; D174-N176 VanDerWaalsContact O-N 3.15Å; D174-N176 PolarHBondContact OD1-N 3.04Å
175P46.4Very low43.3Very low123 Ų123141.1 Ų141.180%0.79979%0.788SS**THydrogen-bonded Turntrans-70.72.7179.829.8-36.2000116
176N53.3Low42.6Very low137 Ų137144.1 Ų144.173%0.73380%0.797SS**THydrogen-bonded Turntrans-118.714.8-179.8-70.2-87.9000115.5D174 P178D174-N176 PolarHBondContact O-N 2.7Å; D174-N176 VanDerWaalsContact O-N 3.15Å; D174-N176 PolarHBondContact OD1-N 3.04Å; N176-P178 WeakPolarHBondContact O-CD 3.4Å
177A56.5Low41.9Very low72 Ų72146.7 Ų146.760%0.59580%0.798SS**PPolyproline II helixtrans-73.3124.7173.100000112
178P40.9Very low41.9Very low124 Ų124146.4 Ų146.481%0.80580%0.796SS**PPolyproline II helixtrans-66.9140.6176.1-20.933.8000112.8N176N176-P178 WeakPolarHBondContact O-CD 3.4Å
179L42.3Very low42.2Very low172 Ų172146.2 Ų146.290%0.90180%0.795SS**PPolyproline II helixtrans-80.6142.6178.2-61.8178.7000112.1
180L42.2Very low42.1Very low158 Ų158138.7 Ų138.783%0.82779%0.786SS**PPolyproline II helixtrans-101153170.8-66.7174.6000111.1
181P37.8Very low41.9Very low123 Ų123133.7 Ų133.780%0.79978%0.782SS**PPolyproline II helixtrans-79.6148.4-170.5-1229.7000113.7
182L38Very low41.8Very low161 Ų161131 Ų13184%0.84378%0.781SS**PPolyproline II helixtrans-89.8139.3167.8-8376.2000111
183P36.6Very low41Very low133 Ų133133 Ų13386%0.86478%0.784SS**PPolyproline II helixtrans-66.8168.8168.8-22.135000114.2
184L33.3Very low40.3Very low156 Ų156136.8 Ų136.882%0.81779%0.788SS**  trans-115.7167.8-165.1-98.7171.8000114.5
185H32.3Very low39.6Very low158 Ų158142.7 Ų142.773%0.73180%0.802SS**  trans77.2118.7159.2-85.553.3000120.2
186L32.4Very low39.4Very low169 Ų169142.6 Ų142.689%0.88580%0.801SS**  -156.3148.3110.7-98.4152.4000110.1
187H33Very low38.2Very low173 Ų173141.7 Ų141.780%0.80181%0.806SS**  trans-161.3173.6-175.7-126.6-115.7000106.6
188P53.9Low37Very low107 Ų107144.2 Ų144.270%0.69581%0.814SS**  cis-124.2-144.24.442.7-23000110.1
189P46.8Very low36.5Very low119 Ų119146.3 Ų146.377%0.77382%0.818SS**  cis-130.8-161.8-13.240.6-21000114.1
190A33.1Very low36Very low90 Ų90141.1 Ų141.174%0.74481%0.806SS**  -164.5147.6-64.900000112.3
191A33.4Very low35.4Very low98 Ų98137.5 Ų137.581%0.8181%0.807SS**  trans67.5167.6162.300000118.1
192P44.4Very low35Very low126 Ų126141.4 Ų141.482%0.81881%0.811SS**  cis-128.1-170.54.542.9-26.3000116.8
193L32.7Very low34.7Very low160 Ų160141.1 Ų141.184%0.83881%0.81SS**  trans-104.7161.4-166.6-38.488.3000115.9
194K30.2Very low34.4Very low201 Ų201147.1 Ų147.187%0.87482%0.816SS**  trans168.8158.9136.2-93.3155.3-173.4179.20107.8
195R31.7Very low34.2Very low237 Ų237148.4 Ų148.489%0.89482%0.818SS**  cis175.4167.4-24-113.5-165.6-179.2-162.52103.9
196P43.2Very low34.1Very low120 Ų120145.4 Ų145.478%0.77982%0.815SS**  trans-99.7176.9-164.340.2-37000115.1
197S27.2Very low33.9Very low119 Ų119141.3 Ų141.383%0.83280%0.8SS**  trans-137.5167.2161.6-162.30000111.1
198V33Very low33.8Very low125 Ų125143.3 Ų143.376%0.75880%0.801SS**  trans-138.9144.7-169.8-68.40000112.1
199D30.2Very low32.7Very low168 Ų168147.2 Ų147.290%0.89881%0.806SS**  trans175.8155.1144.7-123.1-108.3000108.6
200G30Very low32.6Very low63 Ų63146.5 Ų146.565%0.64980%0.802SS**  cis174.2125.8-8.300000113
201G30.3Very low32.4Very low81 Ų81147.3 Ų147.384%0.83580%0.802SS**  trans74.7165.9166.500000118.3
202K30.1Very low32.3Very low205 Ų205147.7 Ų147.789%0.89180%0.799SS**  cis-159.2147.1-15-166.6168.5-176.5173.10110.9
203D30.5Very low31.5Very low155 Ų155148.3 Ų148.383%0.82980%0.795SS**  trans-72.6161.9-174.7-46-100.8000115.3
204R31.8Very low31.4Very low259 Ų259146.7 Ų146.798%0.97780%0.797SS**  trans-148.1148.5147-146.5170.6-174.9177.51.3112.4
205E28.8Very low31.5Very low184 Ų184146 Ų14686%0.8679%0.794SS**  trans-113.3148.4-154.4-179.3171.241.300115.9
206S29.4Very low31.9Very low95 Ų95140.8 Ų140.866%0.66479%0.791SS**  trans-14.9146.9157-172.90000120.3
207S28.3Very low31.2Very low83 Ų83142.1 Ų142.158%0.5879%0.791SS**  -174.4128.2123.8-90.80000117
208R30.9Very low31.9Very low215 Ų215141.4 Ų141.481%0.81178%0.783SS**  65.2152.1127.1-57.8170.9-154.9-132.4-4.1118.7
209K31.9Very low31.9Very low188 Ų188142.6 Ų142.682%0.81778%0.781SS**  cis-158.5-172.6-6.8-115.7-161.9172.8-169.80109.8
210P44.4Very low31.9Very low104 Ų104143 Ų14368%0.67577%0.774SS**  trans-133.4-169.4-143.945.6-27.5000118.6
211S27.8Very low31.8Very low107 Ų107148.5 Ų148.575%0.74878%0.78SS**  trans90.3123.2136.764.30000124.8
212S31.2Very low31.8Very low107 Ų107148.5 Ų148.575%0.74877%0.768SS**  trans86133.1137.8-98.20000125.6
213D29Very low31.8Very low139 Ų139143 Ų14374%0.74376%0.761SS**  trans46.9124143.7-71.2-87.8000124.3
214S29.4Very low31.7Very low125 Ų125142.9 Ų142.987%0.87476%0.76SS**  -170.1160.5111.3-81.90000113.6
215K33.1Very low31.4Very low187 Ų187136.1 Ų136.181%0.81375%0.751SS**  trans-111.8159.6172.9-124.7175.3-175171.70108.7
216P39.5Very low31.5Very low127 Ų127133 Ų13383%0.82574%0.744SS**  -150.9-167.670.939.5-17.4000116.9
217L28.2Very low31.5Very low148 Ų148137.7 Ų137.778%0.77575%0.753SS**  trans-85.1173.4178.6-87.7165.2000111.9
218P42.8Very low31.7Very low104 Ų104141.8 Ų141.868%0.67576%0.76SS**  cis-159.5160.944.343.4-20.8000122.8
219Q31.8Very low31.6Very low150 Ų150136.4 Ų136.470%0.70175%0.747SS**  trans60.6156.3141.8-70.4176.918.600119.5
220K30.3Very low31.6Very low176 Ų176138.3 Ų138.377%0.76575%0.75SS**  cis-150.3-176.17.5-110.3143.4178.7150.80106.4
221K29.4Very low30.9Very low179 Ų179140.3 Ų140.378%0.77875%0.748SS**  cis-155.7130.41.8-138-153.4159.6-120.80107.1
222S29.2Very low30.9Very low82 Ų82141.4 Ų141.457%0.57375%0.745SS**  54.8138.2103.9940000118.8
223A30.8Very low31.1Very low90 Ų90139.8 Ų139.874%0.74473%0.733SS**  cis-158.3162.315.200000116.1
224D27.7Very low31.5Very low151 Ų151140.2 Ų140.281%0.80774%0.736SS**  trans-49.7178.7160.4-62.7-104.6000115.6
225C26.4Very low31.7Very low118 Ų118141.6 Ų141.680%0.79773%0.734SS**  cis-156.5-167.922.7-154.30000115.4
226V30.8Very low31.6Very low117 Ų117135.7 Ų135.771%0.70973%0.726SS**  trans-109.4162.9-156.11660000114.3
227K29.4Very low31.1Very low194 Ų194138.8 Ų138.884%0.84373%0.726SS**  trans85.698158.3-90.3159.7-174.21760122.4
228K31.1Very low31.2Very low170 Ų170135.9 Ų135.974%0.73972%0.724SS**  40.1136.3104-141.1-173.7179.4-71.30123.2
229D30.2Very low30.6Very low101 Ų101136.7 Ų136.754%0.5473%0.732SS.*  trans93.2123.4147.4-77.1-33.3000123.2
230R30.1Very low30.5Very low229 Ų229138.2 Ų138.286%0.86474%0.736SS**  trans77.9156.6149.3-65.5164.1-171.6175.31119.4
231K30.4Very low30.3Very low146 Ų146138.3 Ų138.364%0.63574%0.736SS**  cis-173.8164.2-20.6163.768.7175.8100.10108.7S233K231-S233 PolarHBondContact NZ-OG 3.46Å
232D27.8Very low30.2Very low130 Ų130136.8 Ų136.870%0.69574%0.736SS**  trans94.4145.1165.7-68.7-51.7000116.6
233S35.4Very low30Very low72 Ų72137.1 Ų137.150%0.50374%0.739SS.*  cis156.8173-17.8-95.90000106.2K231K231-S233 PolarHBondContact NZ-OG 3.46Å
234D36.8Very low29.9Very low148 Ų148140.4 Ų140.479%0.79174%0.743SS**  cis-174.5159.5-30.5-84-22.9000104.6
235D33.9Very low30Very low155 Ų155138.8 Ų138.883%0.82974%0.735SS**  cis-156.9161.2-3.815859.7000107.7
236G30.6Very low30.4Very low63 Ų63140.1 Ų140.165%0.64974%0.739SS**  trans148.7155.3147.100000119
237K29.7Very low30.6Very low191 Ų191141.5 Ų141.583%0.8374%0.736SS**  cis-164.2120-14.9-171.4166.8179.8172.70113.5
238A30.1Very low30.8Very low88 Ų88142 Ų14273%0.72773%0.732SS**  trans30125.9152.700000123.7
239S30.1Very low30.7Very low121 Ų121139 Ų13985%0.84672%0.721SS**  172.8170.5124.8-80.10000112.5
240K29.9Very low30.9Very low182 Ų182143.9 Ų143.979%0.79173%0.732SS**  cis-177.4116.8-48.5177.2178.2176.7-177.20110.2
241K27.1Very low31.1Very low177 Ų177141 Ų14177%0.7773%0.726SS**  trans73.8152159.3-103.8-168.7173.5-160.90121.6
242L25.7Very low31Very low147 Ų147139.4 Ų139.477%0.7772%0.724SS**  trans67158154.2-67.7164.1000116.6
243S26.3Very low31.1Very low90 Ų90137.8 Ų137.863%0.62972%0.723SS**  cis175.1128.7-24.754.80000105.2
244D29Very low31Very low158 Ų158139.4 Ų139.485%0.84573%0.734SS**  67.3108.2107.4-159.9-18.7000116.6
245D28.7Very low30.6Very low118 Ų118139.6 Ų139.663%0.63174%0.736SS**  trans-166.3129.7135.3-167.3-69.7000110.4K247D245-K247 WeakPolarHBondContact OD1-CB 3.37Å; D245-K247 PolarHBondContact OD1-N 2.8Å
246T36.1Very low30.4Very low145 Ų145138 Ų13889%0.8974%0.736SS**  trans-146.3122.1132.8-550000109.2
247K34.1Very low30.3Very low146 Ų146143.7 Ų143.764%0.63574%0.743SS**  trans-102.6110.7-151.8173.7-171.5175.6-177.30116.1D245D245-K247 WeakPolarHBondContact OD1-CB 3.37Å; D245-K247 PolarHBondContact OD1-N 2.8Å
248R33.3Very low30.2Very low204 Ų204141.1 Ų141.177%0.7774%0.738SS**  trans65.1-179.8143-52177.7178.7-167.9-0.5117.1
249E30.3Very low30.2Very low109 Ų109145.1 Ų145.151%0.50974%0.741SS.*  cis-145.6150.817.3-92.7-157.2133.100115.9
250R33.6Very low30Very low202 Ų202144.7 Ų144.776%0.76274%0.738SS**  trans55.7130.8149.9-60164.1-163.6175.512.2117.3
251K34.3Very low29.8Very low168 Ų168142.9 Ų142.973%0.7374%0.743SS**  cis-160-164.33.5-134.1165.7158.4-79.10105.8
252D27.8Very low29.8Very low114 Ų114144.6 Ų144.661%0.6175%0.75SS**  cis-156.6-174.17.4-139.1-33000113.1
253S30Very low30.1Very low96 Ų96147 Ų14767%0.67175%0.754SS**  trans-57.9130176.3-71.60000115.9
254S34Very low30.8Very low105 Ų105148.9 Ų148.973%0.73476%0.764SS**  84.7102.989.1-52.50000113.9
255D28Very low30.8Very low153 Ų153145.7 Ų145.782%0.81876%0.76SS**  81.7113.179-163.5-56.6000114.2
256S29.9Very low30.9Very low120 Ų120147.3 Ų147.384%0.83977%0.767SS**  trans-168.4175.8151.744.30000109.9
257K28.9Very low30.4Very low184 Ų184148.4 Ų148.480%0.876%0.762SS**  trans-139.6154.6-141.7-162.9-176.7177178.50114.4
258L27.3Very low30.1Very low136 Ų136144.8 Ų144.871%0.71276%0.759SS**  trans78.1126.2160.1-83.3148.1000121.3
259H29.2Very low30Very low172 Ų172144 Ų14480%0.79676%0.762SS**  trans36.4126.3134.3-92.3-118000121.4
260S25.7Very low30Very low112 Ų112147.3 Ų147.378%0.78377%0.774SS**  175.4142103.4-770000113.5
261T27.1Very low29.7Very low145 Ų145143 Ų14389%0.8976%0.763SS**  trans-116.7141.7164.544.20000110.6
262K27Very low29.5Very low213 Ų213143.1 Ų143.193%0.92676%0.763SS**  trans-101.9148.7-177.2-83.8-176.2175.3177.40113
263K32.4Very low29.5Very low197 Ų197145.3 Ų145.386%0.85777%0.769SS**  trans-74.5163.9166.1-114.4177.3-176.3-177.40110.6
264P41.1Very low29.3Very low129 Ų129152 Ų15284%0.83878%0.78SS**  -147.6169.570.337.8-17.5000117.8
265A27.7Very low29.1Very low92 Ų92153.3 Ų153.376%0.7677%0.772SS**  trans-162.3158.6172.600000111.1
266I31.2Very low28.9Very low151 Ų151152.2 Ų152.277%0.77477%0.767SS**  trans-149.1168.4-172.560.3173000114.3
267E25.9Very low29Very low169 Ų169150.3 Ų150.379%0.7975%0.753SS**  trans64.9151.8161.5-72.9-152.9107.100120.3
268A28.3Very low29.1Very low70 Ų70146.6 Ų146.658%0.57975%0.75SS**  cis-164.1160.8-15.400000113.3
269K30.2Very low29.1Very low188 Ų188148.3 Ų148.382%0.81776%0.755SS**  trans54.4134.2154.2-69.3162.8-176.6163.80119.8
270K29.6Very low29.2Very low178 Ų178148.1 Ų148.177%0.77476%0.759SS**  63.8139.570.8-101.7-159173.5-148.90114.3
271E28.8Very low29.4Very low112 Ų112151.9 Ų151.952%0.52376%0.761SS.*  cis-163.8156.7-1-153.1-173.6140.900113
272K29.3Very low29.7Very low169 Ų169150.7 Ų150.774%0.73576%0.756SS**  trans43.5117.6149.2-88.3-172.4-164.8126.50125.9
273H28.3Very low29.7Very low160 Ų160145.4 Ų145.474%0.74175%0.746SS**  75.8115.2100.3-167.2-79.6000125.5
274R25.7Very low29.5Very low237 Ų237144.9 Ų144.989%0.89475%0.746SS**  trans-172.3152.4145.8-102.8178.9176.595.1-5.4108
275K29.2Very low28.8Very low132 Ų132143.9 Ų143.957%0.57474%0.742SS**  cis92.9103.33.1-153.9-85.5145.4-166.20119.3S277K275-S277 WeakPolarHBondContact CE-OG 3.38Å; K275-S277 PolarHBondContact NZ-OG 3.25Å
276D24.2Very low28.8Very low130 Ų130144.2 Ų144.270%0.69575%0.745SS**  trans-170.8147.2133.2-106.2-115.7000107.4
277S31.1Very low28.6Very low80 Ų80147.2 Ų147.256%0.55975%0.753SS**  cis74.4132.247.3-69.50000112.8K275K275-S277 WeakPolarHBondContact CE-OG 3.38Å; K275-S277 PolarHBondContact NZ-OG 3.25Å
278S32.9Very low28.6Very low106 Ų106142.9 Ų142.974%0.74175%0.754SS**  cis-155.51658.3-75.80000113.7
279E26.7Very low28.4Very low172 Ų172147.9 Ų147.980%0.80477%0.765SS**  trans44.1133.8144.1-68.4-66.69300123.5
280L30.8Very low28.1Very low168 Ų168144 Ų14488%0.8876%0.76SS**  -175151.3119.2-102.2175.5000112.7
281K30.7Very low28.1Very low191 Ų191141.8 Ų141.883%0.8376%0.762SS**  trans-147.3140.1176.8-111-173.2-176.9176.50114.5
282P33.7Very low27.9Very low121 Ų121142.5 Ų142.579%0.78677%0.769SS**  trans-100.1-178.214838.7-31.4000111.6
283S26.7Very low27.9Very low102 Ų102139.9 Ų139.971%0.71377%0.772SS**  trans-164.1179172.363.80000114
284Q28.1Very low28.1Very low185 Ų185140.8 Ų140.886%0.86477%0.774SS**  trans76.7160.7175.1-42.2-1748.100114.9
285S25.4Very low28.1Very low108 Ų108135.5 Ų135.576%0.75577%0.773SS**  cis-155.8179.714.868.60000115
286A27.2Very low28Very low99 Ų99134.6 Ų134.682%0.81878%0.778SS**  trans83.2166.8152.400000122.4
287K27.7Very low28.1Very low214 Ų214140.2 Ų140.293%0.9379%0.79SS**  trans-139.6151.3-165.1-70.4177.6175.2176.60113.5
288G25.3Very low28.2Very low79 Ų79146.9 Ų146.981%0.81480%0.803SS**  trans78.5172.5151.700000117.6
289H25.4Very low27.8Very low174 Ų174150.4 Ų150.481%0.80681%0.808SS**  cis-171.3158.3-25.4-172-85.9000108.4
290C23.9Very low27.8Very low106 Ų106146.9 Ų146.972%0.71680%0.802SS**  trans67.3163.1175.5-92.90000116.2
291T29.2Very low27.9Very low133 Ų133145.6 Ų145.682%0.81680%0.802SS**  cis-125.8165.510.949.10000114.9
292D25.2Very low27.6Very low127 Ų127143.3 Ų143.368%0.67980%0.798SS**  trans-80150.5171.6175.9-101.9000113.4
293S29.3Very low27.4Very low114 Ų114142 Ų14280%0.79779%0.792SS**  trans-178.3144.7134.9-86.10000113.4
294K30.9Very low27.5Very low178 Ų178146.7 Ų146.777%0.77480%0.8SS**  trans-95.7158.2179.8-63.9161.2-176.8151.80112.3
295S27.4Very low27.5Very low127 Ų127149 Ų14989%0.88880%0.8SS**  trans-131.9159.3135.772.80000109.7
296V26.9Very low27.7Very low112 Ų112148.9 Ų148.968%0.67980%0.799SS**  trans-131.5137.2-165.9173.60000110.3R298V296-R298 HydrophobicContact CG1-CG 4.47Å
297R26.3Very low27.9Very low248 Ų248149.4 Ų149.494%0.93680%0.797SS**  trans-140.5147.7150.1-144.6166-170.1125.63.9110.5
298R32.3Very low27.9Very low220 Ų220144.6 Ų144.683%0.8379%0.791SS**  trans-112.4179.6-177.7-70.2-179.4172.2179.5-2.5109.9V296V296-R298 HydrophobicContact CG1-CG 4.47Å
299E24.5Very low28.4Very low180 Ų180146.9 Ų146.984%0.84179%0.791SS**  trans101.2140.8169.6-61-153.560.700115.8
300S27.8Very low29Very low99 Ų99144.5 Ų144.569%0.69279%0.791SS**  cis-157.4162-17.2-101.80000109.6
301T31.1Very low29.2Very low141 Ų141144.3 Ų144.387%0.86580%0.797SS**  trans-88.6132.8176.850.60000112.2
302D25.6Very low29.2Very low142 Ų142148 Ų14876%0.75980%0.802SS**  trans-136.2160.4149.6-172.4-137.3000110.6
303S29.9Very low29.3Very low95 Ų95151.7 Ų151.766%0.66481%0.812SS**  trans-116.6143.1-168-57.20000112.9
304K27.3Very low29.3Very low200 Ų200154.6 Ų154.687%0.8782%0.816SS**  trans-148.2149.7150.6-113.3120.5-165.61630114.1
305R30.1Very low29.1Very low233 Ų233151.5 Ų151.588%0.87982%0.817SS**  trans-144.3121.3-170.8168.9-164.2176.9-88.33.9109.4
306S28.8Very low29Very low105 Ų105151.3 Ų151.373%0.73482%0.816SS**  trans-172.8148168.343.20000110.6
307S30.5Very low28.9Very low111 Ų111152.7 Ų152.778%0.77682%0.815SS**  cis-167.6162.6-13.245.50000110.2
308S27.7Very low29Very low113 Ų113149.2 Ų149.279%0.7980%0.802SS**  trans-120.1146.1164.5-54.50000109.3
309P37.1Very low29Very low126 Ų126148 Ų14882%0.81880%0.797SS**PPolyproline II helixtrans-77.5149.1-177.430.6-34.7000113.2
310P37.5Very low29.1Very low125 Ų125146.4 Ų146.481%0.81279%0.79SS**PPolyproline II helixtrans-98.4166.6-17238.4-36.8000115.1
311A27.3Very low29.2Very low101 Ų101146.3 Ų146.384%0.83579%0.789SS**PPolyproline II helixtrans-82.4155.5172.700000113.2
312K29.9Very low29.1Very low211 Ų211148 Ų14892%0.91779%0.792SS**PPolyproline II helixtrans-92.8134.4171.6-69.3-175.6176.8-1780111.3
313K27.8Very low29.2Very low205 Ų205144.6 Ų144.689%0.89179%0.791SS**PPolyproline II helixtrans-92.1158.5157.8-77.8-173.3175.3-177.40110.1
314I28.2Very low29.1Very low174 Ų174146.5 Ų146.589%0.89280%0.804SS**  trans-133.2148.6159.9-31.1176.8000106.7
315S26.3Very low29.4Very low113 Ų113146.6 Ų146.679%0.7980%0.804SS**  trans-150.9122.6-173.553.20000112.8
316S27Very low30.3Very low123 Ų123140.8 Ų140.886%0.8680%0.797SS**  trans-106.9-177.4155.455.60000109.4
317E24.1Very low30.2Very low142 Ų142144 Ų14466%0.66480%0.804SS**  trans-151.4160.7-177.1-130.8-79.471.200109.2
318R28.5Very low30Very low174 Ų174141.6 Ų141.666%0.65780%0.797SS**  trans73.3106.6137.1-163.5167-73.2-147.1-4.5122.7
319R33Very low30.1Very low196 Ų196143.8 Ų143.874%0.7480%0.795SS**  trans73157.8131.7-142.7179.1-84.9-123.7-4116.2
320E25Very low30.4Very low146 Ų146143.3 Ų143.368%0.68279%0.792SS**  cis-145.1130.614-143.1125.8179.200108.1
321S31.3Very low30.1Very low96 Ų96142.6 Ų142.667%0.67178%0.778SS**  96.2161.592.380.30000116.7
322L29.3Very low30.1Very low177 Ų177147 Ų14793%0.92777%0.773SS**  trans66.6141.8-176.7-45.8179000116.7
323G25.9Very low30.1Very low71 Ų71145.7 Ų145.773%0.73277%0.768SS**  cis149.7110.7-22.900000116.2
324S29.4Very low30.8Very low135 Ų135141.1 Ų141.194%0.94476%0.759SS**  trans-172.2154.8144.8-890000115.4
325K33.5Very low30.7Very low202 Ų202137.5 Ų137.588%0.87875%0.749SS**  trans-92.9176.7-168-72.6172.5-179.21750112.7
326P47.2Very low30.8Very low111 Ų111138.7 Ų138.772%0.72175%0.751SS**  cis-124.6-161.511.144.9-28.4000113.4
327L27.1Very low30.8Very low171 Ų171139.5 Ų139.590%0.89575%0.746SS**  cis-140.6-143.61.4-152.415.9000108.3
328G26.5Very low30.9Very low61 Ų61136.4 Ų136.463%0.62974%0.74SS**  cis175.1144.4-2.100000113
329Q30.9Very low31.2Very low159 Ų159135.8 Ų135.874%0.74375%0.749SS**  trans-170.2174.7178.4-125.3-178.49.500109.9
330P42.6Very low31Very low117 Ų117132.5 Ų132.576%0.7674%0.742SS**  -131.2177.250.818.79000113.8
331Q30.6Very low31.5Very low110 Ų110133.9 Ų133.951%0.51474%0.741SS.*  cis69.2142.842.4-55.7-75.8-4300114.3
332R28.2Very low31.5Very low193 Ų193138.2 Ų138.273%0.72875%0.748SS**  cis-174.1132.2-27.8-128.8-161.1-165.4142-12.8110.4
333K30.6Very low31.4Very low184 Ų184133.3 Ų133.380%0.874%0.74SS**  trans63.7179.1155.9-62.5-170.4176.3-168.70117.9
334P41Very low31.6Very low109 Ų109139.8 Ų139.871%0.70875%0.748SS**  -138.6178.7-59.142.2-26.7000116.7
335S26.8Very low31.7Very low98 Ų98139.7 Ų139.769%0.68574%0.742SS**  trans86138.6147-57.90000123.6
336T28.7Very low31.4Very low137 Ų137138 Ų13884%0.8474%0.737SS**  trans64.5145.1144.942.30000120.4
337D25.5Very low30.7Very low141 Ų141138.9 Ų138.975%0.75474%0.74SS**  cis-162.8176-3.1177.1-123.2000111.3
338S28.1Very low31.3Very low77 Ų77135.6 Ų135.654%0.53873%0.729SS.*  trans92.1118147.3-93.10000122.7
339L33.2Very low31.7Very low160 Ų160144.7 Ų144.784%0.83875%0.745SS**  trans62.9148.2132.9-59.5172.2000120.1
340E28.6Very low31.7Very low128 Ų128143.7 Ų143.760%0.59875%0.75SS**  cis173.3150.4-24-136.4-79.886.100105.3
341R35.9Very low31.4Very low174 Ų174144.2 Ų144.266%0.65775%0.753SS**  trans9891.1145.9-158.4149.9-71.3-1460.1123.6
342K31.1Very low31.6Very low188 Ų188145.5 Ų145.582%0.81777%0.768SS**  trans68.7131.3131-71.8-178.4179.1-1750123.3
343G28.5Very low31.8Very low73 Ų73142.8 Ų142.875%0.75377%0.774SS**  trans-175.184.5150.400000116.8
344K30.5Very low32.6Very low207 Ų207140.1 Ų140.190%0.978%0.775SS**  trans32.4139.4146.3-68.5-179.7179.5-179.70120.8
345T30Very low32.3Very low133 Ų133141.5 Ų141.582%0.81678%0.781SS**  cis-163.1160.3-0.4-73.90000108.6
346E28.8Very low32.8Very low168 Ų168141.8 Ų141.879%0.78578%0.783SS**  trans-75.5156.1-178.4-73.4-170.380.900117.3
347T31.8Very low33.7Very low128 Ų128141.3 Ų141.379%0.78578%0.783SS**  167.4164.3109.937.90000111.4
348P39.8Very low34.1Very low103 Ų103142.8 Ų142.867%0.66979%0.79SS**  cis-133.9138.9-47.136.3-20000115.2
349R35Very low34.4Very low252 Ų252144.1 Ų144.195%0.95180%0.799SS**  trans57.7127.3150.8-58.9-174.1-179.6-163.9-1.1121.5
350T30.6Very low35.1Very low138 Ų138142 Ų14285%0.84780%0.795SS**  trans-112.2166.1174.441.10000113.3
351P37Very low35.3Very low127 Ų127141.3 Ų141.383%0.82580%0.804SS**  trans-86.3-176.8-179.835.6-37.2000115.1
352T35Very low35.5Very low137 Ų137142.7 Ų142.784%0.8482%0.815SS**  trans-90.1155.6-159.352.20000117.9
353T31.2Very low35.9Very low137 Ų137139.3 Ų139.384%0.8482%0.815SS**  trans-132.9138.7161.4210000111.8
354P47Very low36.8Very low127 Ų127141 Ų14183%0.82582%0.816SS**  trans-99.6166.9171.937.2-32.6000113.6
355T34.5Very low37.8Very low138 Ų138138 Ų13885%0.84782%0.818SS**  trans-109.2164.8-169.3-54.10000113.9
356S38.1Very low38.3Very low104 Ų104135 Ų13573%0.72781%0.813SS**  trans-47.1153.7-175.7-48.30000117.7
357P47.1Very low39.5Very low127 Ų127130.3 Ų130.383%0.82581%0.81SS**  trans-81.1161.1-179.934.4-37.1000114.4
358L35.5Very low40.8Very low173 Ų173130.6 Ų130.691%0.90681%0.813SS**  trans-120.5169.5174.1-76.5169.8000112
359S33.9Very low41.2Very low105 Ų105127.6 Ų127.673%0.73479%0.792SS**PPolyproline II helixtrans-58.4150.4-173.5-51.10000115.2S361S359-S361 PolarHBondContact O-N 2.88Å
360P47.3Very low41.9Very low116 Ų116119.5 Ų119.575%0.75377%0.774SS**PPolyproline II helixtrans-76.1123.4178.730.4-34.4000112.7
361S33.6Very low43Very low113 Ų113118.9 Ų118.979%0.7977%0.772SS**PPolyproline II helixtrans-78.5131.7165.6-73.40000111.1S359 S363S359-S361 PolarHBondContact O-N 2.88Å; S361-S363 PolarHBondContact O-N 3.11Å
362F38.9Very low43.7Very low203 Ų203121.5 Ų121.589%0.8977%0.773SS**  trans-81.391.2172.6-70.9-85.9000111.1
363S40.3Very low44.6Very low116 Ų116117.3 Ų117.381%0.81175%0.745SS**  trans-105.9114.4164.1-65.80000109.5S361S361-S363 PolarHBondContact O-N 3.11Å
364S47.3Very low46.3Very low110 Ų110113.4 Ų113.477%0.76973%0.727SS**  trans-109.7151.2172.1-76.90000110.5G366S364-G366 PolarHBondContact O-N 3.21Å; S364-G366 VanDerWaalsContact O-N 3.1Å
365P51.3Low47.6Very low144 Ų144110.2 Ų110.294%0.93571%0.705SS**  trans-77.2101.6-169.230.2-35.2000112.4
366G40.5Very low49.5Very low70 Ų70107.3 Ų107.372%0.72270%0.702SS**  trans-130.3118.5162.200000108.9S364S364-G366 PolarHBondContact O-N 3.21Å; S364-G366 VanDerWaalsContact O-N 3.1Å
367G54.8Low51.8Low69 Ų69104.6 Ų104.671%0.71168%0.68SS**PPolyproline II helixtrans-69.9158.8173.200000111.5
368P57.6Low53.9Low133 Ų133103 Ų10386%0.86467%0.671SS**PPolyproline II helixtrans-61149.7173.727.8-34.8000111.1
369L47.9Very low56.6Low40 Ų4096.9 Ų96.921%0.20964%0.641CS.*PPolyproline II helixtrans-58.9147.9175.5-61.1176.8000110.9D381 I384 E385L369-D381 HydrophobicContact CD1-CB 4.47Å; L369-D381 WeakPolarHBondContact CD1-O 3.44Å; L369-I384 HydrophobicContact CD1-CB 4.16Å; L369-I384 HydrophobicContact CD1-CG2 3.95Å; L369-E385 HydrophobicContact CD2-CB 4.44Å
370S51.5Low59.4Low83 Ų8392.8 Ų92.858%0.5861%0.61SS**PPolyproline II helixtrans-55.5133.4177.8-61.20000111.1H372 L373S370-H372 PolarHBondContact O-N 3.02Å; S370-L373 PolarHBondContact O-N 3.37Å
371P53.7Low61.5Low125 Ų12588.9 Ų88.981%0.81258%0.582SS**THydrogen-bonded Turntrans-56.8-16.7-170.7-30.336.1000117L373P371-L373 VanDerWaalsContact C-N 3.33Å
372H50Low64.4Low181 Ų18188.4 Ų88.484%0.83857%0.566SS**THydrogen-bonded Turntrans-82-6.6177.2-154.9-59.1000113.8S370S370-H372 PolarHBondContact O-N 3.02Å
373L55.2Low67Low50 Ų5079.4 Ų79.426%0.26253%0.528SS..SBendtrans-117.73.2177.2-58.6177.8000112.7S370 P371 D405 A409S370-L373 PolarHBondContact O-N 3.37Å; P371-L373 VanDerWaalsContact C-N 3.33Å; L373-D405 HydrophobicContact CD1-CB 4.3Å; L373-A409 HydrophobicContact CB-CB 4.44Å; L373-A409 HydrophobicContact CD2-CB 4.02Å
374A67.2Low69.6Low55 Ų5574 Ų7446%0.45549%0.49SS..  trans-79.3123.4176.600000109.9
375T72.3Confident71.9Confident60 Ų6072.4 Ų72.437%0.36847%0.471SS..  trans-93.5-5-174.1-430000112.6D377 R380 D381T375-D377 VanDerWaalsContact C-N 3.26Å; T375-D377 PolarHBondContact O-N 2.97Å; T375-R380 VanDerWaalsContact CG2-CZ 3.4Å; T375-R380 VanDerWaalsContact CG2-NH1 3.31Å; T375-D381 PolarHBondContact N-OD1 3.34Å
376G76Confident73.9Confident76 Ų7669.7 Ų69.778%0.78445%0.446SS*.SBendtrans82.3-4.4177.100000114.7
377D86.6Confident76.5Confident48 Ų4866.4 Ų66.426%0.25741%0.412SS..  trans-110.3111.4166.8-179.4-7000108.9T375 V379 R380 D381 T422T375-D377 VanDerWaalsContact C-N 3.26Å; T375-D377 PolarHBondContact O-N 2.97Å; D377-V379 PolarHBondContact O-N 3.02Å; D377-V379 VanDerWaalsContact OD1-CB 3.29Å; D377-V379 WeakPolarHBondContact OD1-CB 3.46Å; D377-V379 PolarHBondContact OD1-N 3.23Å; D377-R380 HydrophobicContact CB-CB 4.21Å; D377-R380 HydrophobicContact CB-CG 3.99Å; D377-R380 WeakPolarHBondContact O-CA 3.49Å; D377-R380 WeakPolarHBondContact O-CB 3.25Å; D377-R380 PolarHBondContact O-N 2.67Å; D377-D381 PolarHBondContact O-N 3.3Å; D377-T422 VanDerWaalsContact OD2-CG2 3.28Å; D377-T422 WeakPolarHBondContact OD2-CG2 3.33Å; D377-T422 PolarHBondContact OD2-OG1 3.21Å
378S90.6Very high78.4Confident93 Ų9363.1 Ų63.165%0.6538%0.378SS*.Hα-helixtrans-49.9-25.8175.463.40000114.8K382S378-K382 VanDerWaalsContact O-CB 3.29Å; S378-K382 WeakPolarHBondContact O-CB 3.34Å; S378-K382 PolarHBondContact O-N 3.15Å; S378-K382 VanDerWaalsContact O-N 3.12Å
379V91.1Very high80.1Confident45 Ų4559.1 Ų59.127%0.27336%0.357SS..Hα-helixtrans-74.2-42.5174.2179.10000111.2D377 C383 T422 Y426D377-V379 PolarHBondContact O-N 3.02Å; D377-V379 VanDerWaalsContact OD1-CB 3.29Å; D377-V379 WeakPolarHBondContact OD1-CB 3.46Å; D377-V379 PolarHBondContact OD1-N 3.23Å; V379-C383 PolarHBondContact O-N 3.29Å; V379-C383 VanDerWaalsContact O-N 3.11Å; V379-C383 PolarHBondContact O-SG 3.45Å; V379-T422 HydrophobicContact CG1-CG2 4.41Å; V379-Y426 HydrophobicContact CG1-CE1 4.48Å
380R92.9Very high82.3Confident18 Ų1857.2 Ų57.27%0.06835%0.347CS..Hα-helixtrans-67.4-48.2175.2-65.2-170.967.1-174.2-7.1110.2T375 D377 K382 C383 I384 E412 D413 T422T375-R380 VanDerWaalsContact CG2-CZ 3.4Å; T375-R380 VanDerWaalsContact CG2-NH1 3.31Å; D377-R380 HydrophobicContact CB-CB 4.21Å; D377-R380 HydrophobicContact CB-CG 3.99Å; D377-R380 WeakPolarHBondContact O-CA 3.49Å; D377-R380 WeakPolarHBondContact O-CB 3.25Å; D377-R380 PolarHBondContact O-N 2.67Å; R380-K382 VanDerWaalsContact C-N 3.28Å; R380-K382 PolarHBondContact O-N 3.13Å; R380-C383 CarbonylContact O-C 3.5Å; R380-C383 WeakPolarHBondContact O-CA 3.42Å; R380-C383 VanDerWaalsContact O-CB 3.31Å; R380-C383 WeakPolarHBondContact O-CB 3.48Å; R380-C383 PolarHBondContact O-N 2.89Å; R380-I384 WeakPolarHBondContact O-CG1 3.44Å; R380-I384 PolarHBondContact O-N 3.4Å; R380-E412 WeakPolarHBondContact CG-OE1 3.48Å; R380-E412 IonicContact CZ-OE1 3.32Å; R380-E412 IonicContact CZ-OE2 2.83Å; R380-E412 VanDerWaalsContact CZ-OE2 3.29Å; R380-E412 IonicContact NE-OE1 2.68Å; R380-E412 PolarHBondContact NE-OE1 2.88Å; R380-E412 IonicContact NE-OE2 2.64Å; R380-E412 PolarHBondContact NE-OE2 3.13Å; R380-E412 VanDerWaalsContact NE-OE2 3.08Å; R380-E412 IonicContact NH2-OE1 3.57Å; R380-E412 IonicContact NH2-OE2 2.67Å; R380-E412 PolarHBondContact NH2-OE2 3.37Å; R380-D413 IonicContact CZ-OD1 3.9Å; R380-D413 IonicContact NH1-OD1 3.31Å; R380-D413 IonicContact NH2-OD1 3.22Å; R380-D413 PolarHBondContact NH2-OD1 3.31Å; R380-T422 HydrophobicContact CG-CG2 3.65Å
381D92.4Very high84.1Confident34 Ų3453.3 Ų53.318%0.18232%0.319CS..Hα-helixtrans-56.9-41.7178.7-60.9-30.9000111.6L369 T375 D377 I384 E385L369-D381 HydrophobicContact CD1-CB 4.47Å; L369-D381 WeakPolarHBondContact CD1-O 3.44Å; T375-D381 PolarHBondContact N-OD1 3.34Å; D377-D381 PolarHBondContact O-N 3.3Å; D381-I384 PolarHBondContact O-N 3.11Å; D381-E385 PolarHBondContact O-N 2.83Å
382K93.8Very high85.9Confident104 Ų10451.6 Ų51.645%0.45230%0.297SS..Hα-helixtrans-70.8-29.3174.9-165.652.5158-177.90113.4S378 R380 E385 M386S378-K382 VanDerWaalsContact O-CB 3.29Å; S378-K382 WeakPolarHBondContact O-CB 3.34Å; S378-K382 PolarHBondContact O-N 3.15Å; S378-K382 VanDerWaalsContact O-N 3.12Å; R380-K382 VanDerWaalsContact C-N 3.28Å; R380-K382 PolarHBondContact O-N 3.13Å; K382-E385 HydrophobicContact CD-CB 4.38Å; K382-E385 WeakPolarHBondContact CD-OE2 2.9Å; K382-E385 IonicContact NZ-OE1 2.85Å; K382-E385 PolarHBondContact NZ-OE1 3.25Å; K382-E385 IonicContact NZ-OE2 3.13Å; K382-E385 PolarHBondContact NZ-OE2 2.94Å; K382-M386 WeakPolarHBondContact O-CB 3.37Å; K382-M386 VanDerWaalsContact O-CG 3.25Å; K382-M386 WeakPolarHBondContact O-CG 3.43Å; K382-M386 PolarHBondContact O-N 3.12Å; K382-M386 VanDerWaalsContact O-N 3.11Å
383C94.2Very high87.7Confident14 Ų1444.3 Ų44.310%0.09527%0.265CS..Hα-helixtrans-68.4-41.2171.6-72.20000111.7V379 R380 M386 L387 E412 Y426 V430V379-C383 PolarHBondContact O-N 3.29Å; V379-C383 VanDerWaalsContact O-N 3.11Å; V379-C383 PolarHBondContact O-SG 3.45Å; R380-C383 CarbonylContact O-C 3.5Å; R380-C383 WeakPolarHBondContact O-CA 3.42Å; R380-C383 VanDerWaalsContact O-CB 3.31Å; R380-C383 WeakPolarHBondContact O-CB 3.48Å; R380-C383 PolarHBondContact O-N 2.89Å; C383-M386 PolarHBondContact O-N 3.2Å; C383-L387 WeakPolarHBondContact O-CB 3.36Å; C383-L387 WeakPolarHBondContact O-CG 3.22Å; C383-L387 PolarHBondContact O-N 3.18Å; C383-E412 HydrophobicContact CB-CG 4.23Å; C383-Y426 WeakPolarHBondContact CB-OH 3.32Å; C383-V430 HydrophobicContact CB-CG1 3.86Å; C383-V430 HydrophobicContact CB-CG2 4.32Å
384I94.7Very high89Confident1 Ų147 Ų471%0.00528%0.279CS..Hα-helixtrans-59.9-50.2173.2-64.2172.1000110.2L369 R380 D381 M386 L387 A388 A408 A409 E412L369-I384 HydrophobicContact CD1-CB 4.16Å; L369-I384 HydrophobicContact CD1-CG2 3.95Å; R380-I384 WeakPolarHBondContact O-CG1 3.44Å; R380-I384 PolarHBondContact O-N 3.4Å; D381-I384 PolarHBondContact O-N 3.11Å; I384-M386 VanDerWaalsContact C-N 3.31Å; I384-M386 PolarHBondContact O-N 3.47Å; I384-L387 PolarHBondContact O-N 2.95Å; I384-L387 VanDerWaalsContact O-N 3.12Å; I384-A388 WeakPolarHBondContact O-CB 3.42Å; I384-A388 PolarHBondContact O-N 2.83Å; I384-A408 HydrophobicContact CG2-CB 4.17Å; I384-A409 HydrophobicContact CD1-CB 4.12Å; I384-A409 HydrophobicContact CG2-CB 4.08Å; I384-E412 HydrophobicContact CD1-CB 4.47Å; I384-E412 HydrophobicContact CG1-CB 3.67Å; I384-E412 HydrophobicContact CG1-CG 3.75Å
385E94.7Very high89.7Confident78 Ų7848 Ų4836%0.36428%0.277SS..Hα-helixtrans-55.6-44.5177.4-169.7-152114.400111.9L369 D381 K382 A388 A389L369-E385 HydrophobicContact CD2-CB 4.44Å; D381-E385 PolarHBondContact O-N 2.83Å; K382-E385 HydrophobicContact CD-CB 4.38Å; K382-E385 WeakPolarHBondContact CD-OE2 2.9Å; K382-E385 IonicContact NZ-OE1 2.85Å; K382-E385 PolarHBondContact NZ-OE1 3.25Å; K382-E385 IonicContact NZ-OE2 3.13Å; K382-E385 PolarHBondContact NZ-OE2 2.94Å; E385-A388 PolarHBondContact O-N 3.42Å; E385-A389 WeakPolarHBondContact O-CB 3.42Å; E385-A389 PolarHBondContact O-N 3.18Å
386M95.1Very high90.2Very high86 Ų8645.4 Ų45.442%0.42426%0.261SS..Hα-helixtrans-70.3-30.9178.6-70.1179.568.800113.5K382 C383 I384 A390 I434K382-M386 WeakPolarHBondContact O-CB 3.37Å; K382-M386 VanDerWaalsContact O-CG 3.25Å; K382-M386 WeakPolarHBondContact O-CG 3.43Å; K382-M386 PolarHBondContact O-N 3.12Å; K382-M386 VanDerWaalsContact O-N 3.11Å; C383-M386 PolarHBondContact O-N 3.2Å; I384-M386 VanDerWaalsContact C-N 3.31Å; I384-M386 PolarHBondContact O-N 3.47Å; M386-A390 PolarHBondContact O-N 3.12Å; M386-A390 VanDerWaalsContact O-N 3.09Å; M386-I434 HydrophobicContact CB-CD1 3.67Å; M386-I434 HydrophobicContact CE-CD1 4.26Å
387L94.8Very high90.4Very high1 Ų144.7 Ų44.71%0.00524%0.235CC..Hα-helixtrans-71.2-42.5171.9-77.6164.2000111.3C383 I384 A389 A390 L391 A408 I411 E412 V430 R433 I434 L437C383-L387 WeakPolarHBondContact O-CB 3.36Å; C383-L387 WeakPolarHBondContact O-CG 3.22Å; C383-L387 PolarHBondContact O-N 3.18Å; I384-L387 PolarHBondContact O-N 2.95Å; I384-L387 VanDerWaalsContact O-N 3.12Å; L387-A389 VanDerWaalsContact C-N 3.31Å; L387-A389 PolarHBondContact O-N 3.08Å; L387-A390 WeakPolarHBondContact O-CA 3.31Å; L387-A390 WeakPolarHBondContact O-CB 3.32Å; L387-A390 PolarHBondContact O-N 2.81Å; L387-L391 PolarHBondContact O-N 3.42Å; L387-A408 HydrophobicContact CB-CB 3.75Å; L387-I411 HydrophobicContact CD1-CG2 4.33Å; L387-I411 HydrophobicContact CD2-CG2 4.42Å; L387-E412 HydrophobicContact CD1-CB 3.92Å; L387-E412 HydrophobicContact CD1-CG 4.42Å; L387-V430 HydrophobicContact CD1-CG1 4.23Å; L387-V430 HydrophobicContact CG-CG1 4.26Å; L387-R433 HydrophobicContact CD2-CB 3.99Å; L387-I434 HydrophobicContact CD2-CG1 3.79Å; L387-I434 HydrophobicContact CG-CD1 4.46Å; L387-I434 HydrophobicContact CG-CG1 4.16Å; L387-L437 HydrophobicContact CD2-CD1 4.5Å
388A93.8Very high90.2Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-66.1-34.1175.500000112I384 E385 A390 R392 D405 A408I384-A388 WeakPolarHBondContact O-CB 3.42Å; I384-A388 PolarHBondContact O-N 2.83Å; E385-A388 PolarHBondContact O-N 3.42Å; A388-A390 VanDerWaalsContact C-N 3.33Å; A388-R392 VanDerWaalsContact CB-NH2 3.33Å; A388-R392 WeakPolarHBondContact O-CB 3.49Å; A388-R392 WeakPolarHBondContact O-CG 3.47Å; A388-R392 PolarHBondContact O-N 3.48Å; A388-R392 VanDerWaalsContact O-N 3.13Å; A388-R392 PolarHBondContact O-NE 3.49Å; A388-R392 VanDerWaalsContact O-NE 3.08Å; A388-D405 HydrophobicContact CB-CB 4.44Å; A388-D405 VanDerWaalsContact CB-OD1 3.22Å; A388-D405 WeakPolarHBondContact CB-OD1 3.36Å; A388-A408 HydrophobicContact CB-CB 3.66Å; A388-A408 VanDerWaalsContact N-CB 3.34Å
389A93.3Very high89.7Confident50 Ų5050.2 Ų50.241%0.41325%0.251SS..Hα-helixtrans-67.6-31.2169.700000112.7E385 L387 T393E385-A389 WeakPolarHBondContact O-CB 3.42Å; E385-A389 PolarHBondContact O-N 3.18Å; L387-A389 VanDerWaalsContact C-N 3.31Å; L387-A389 PolarHBondContact O-N 3.08Å; A389-T393 PolarHBondContact O-OG1 2.74Å
390A93.4Very high89Confident0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-70.8-45.6173.800000112M386 L387 A388 R392 T393 I434 L437 K438M386-A390 PolarHBondContact O-N 3.12Å; M386-A390 VanDerWaalsContact O-N 3.09Å; L387-A390 WeakPolarHBondContact O-CA 3.31Å; L387-A390 WeakPolarHBondContact O-CB 3.32Å; L387-A390 PolarHBondContact O-N 2.81Å; A388-A390 VanDerWaalsContact C-N 3.33Å; A390-R392 VanDerWaalsContact C-N 3.28Å; A390-R392 PolarHBondContact O-N 2.75Å; A390-T393 VanDerWaalsContact O-CB 3.28Å; A390-T393 WeakPolarHBondContact O-CB 3.32Å; A390-T393 PolarHBondContact O-N 3.33Å; A390-T393 PolarHBondContact O-OG1 2.99Å; A390-I434 HydrophobicContact CB-CG1 4.41Å; A390-I434 HydrophobicContact CB-CG2 4.28Å; A390-L437 HydrophobicContact CB-CB 4.1Å; A390-L437 HydrophobicContact CB-CD1 4.48Å; A390-K438 HydrophobicContact CB-CD 3.96Å; A390-K438 HydrophobicContact CB-CG 3.72Å
391L91.3Very high88.3Confident0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-63.9-30.3177.1-69.4173.9000113L387 T393 C404 M407 A408 I411 L437 V449L387-L391 PolarHBondContact O-N 3.42Å; L391-T393 VanDerWaalsContact C-N 3.27Å; L391-T393 PolarHBondContact O-N 2.78Å; L391-C404 HydrophobicContact CB-CB 4.03Å; L391-M407 HydrophobicContact CD1-CB 3.87Å; L391-A408 HydrophobicContact CD1-CB 4.36Å; L391-I411 HydrophobicContact CD1-CD1 4.37Å; L391-L437 HydrophobicContact CD2-CD1 3.97Å; L391-L437 HydrophobicContact CD2-CD2 4.13Å; L391-L437 HydrophobicContact CG-CD1 4.41Å; L391-V449 HydrophobicContact CD2-CG1 4.05Å
392R90.9Very high87.8Confident89 Ų8954.3 Ų54.334%0.33629%0.289SS..THydrogen-bonded Turntrans-78.7-0.1176.4-73.9-178.9-74.5-145-8.9115.3A388 A390 N395 Y397 C404 D405A388-R392 VanDerWaalsContact CB-NH2 3.33Å; A388-R392 WeakPolarHBondContact O-CB 3.49Å; A388-R392 WeakPolarHBondContact O-CG 3.47Å; A388-R392 PolarHBondContact O-N 3.48Å; A388-R392 VanDerWaalsContact O-N 3.13Å; A388-R392 PolarHBondContact O-NE 3.49Å; A388-R392 VanDerWaalsContact O-NE 3.08Å; A390-R392 VanDerWaalsContact C-N 3.28Å; A390-R392 PolarHBondContact O-N 2.75Å; R392-N395 PolarHBondContact O-N 2.69Å; R392-Y397 HydrophobicContact CB-CD1 4.03Å; R392-Y397 HydrophobicContact CB-CE1 3.82Å; R392-Y397 HydrophobicContact CG-CD1 3.93Å; R392-Y397 HydrophobicContact CG-CE1 3.82Å; R392-Y397 HydrophobicContact CG-CG 4.3Å; R392-C404 HydrophobicContact CG-CB 3.87Å; R392-D405 IonicContact CZ-OD1 3.62Å; R392-D405 VanDerWaalsContact CZ-OD1 3.31Å; R392-D405 IonicContact CZ-OD2 3.29Å; R392-D405 IonicContact NH1-OD1 3.08Å; R392-D405 PolarHBondContact NH1-OD1 3.16Å; R392-D405 IonicContact NH1-OD2 2.79Å; R392-D405 PolarHBondContact NH1-OD2 3.13Å; R392-D405 IonicContact NH2-OD1 3.59Å; R392-D405 PolarHBondContact NH2-OD1 3.44Å; R392-D405 IonicContact NH2-OD2 2.69Å
393T87.8Confident87.6Confident29 Ų2954.4 Ų54.418%0.17829%0.294CS..G310 helixtrans-60.9141.6179.5-51.30000111A389 A390 L391 N395 R446A389-T393 PolarHBondContact O-OG1 2.74Å; A390-T393 VanDerWaalsContact O-CB 3.28Å; A390-T393 WeakPolarHBondContact O-CB 3.32Å; A390-T393 PolarHBondContact O-N 3.33Å; A390-T393 PolarHBondContact O-OG1 2.99Å; L391-T393 VanDerWaalsContact C-N 3.27Å; L391-T393 PolarHBondContact O-N 2.78Å; T393-N395 PolarHBondContact O-N 3.32Å; T393-R446 PolarHBondContact O-NE 3.01Å
394D81.5Confident87.4Confident105 Ų10553.9 Ų53.956%0.56129%0.291SS*.G310 helixtrans54.49.1-179.3-45.3-38.7000117.2D396 R446D394-D396 VanDerWaalsContact C-N 3.33Å; D394-D396 PolarHBondContact O-N 2.9Å; D394-R446 IonicContact OD2-CZ 2.71Å; D394-R446 IonicContact OD2-NH1 3.8Å; D394-R446 PolarHBondContact OD2-NH1 3.27Å; D394-R446 IonicContact OD2-NH2 2.74Å; D394-R446 PolarHBondContact OD2-NH2 3.41Å
395N83.5Confident87.1Confident77 Ų7755.9 Ų55.941%0.41230%0.302SS..G310 helixtrans70.25177.9-59.3-97000117.7R392 T393 Y397 K398R392-N395 PolarHBondContact O-N 2.69Å; T393-N395 PolarHBondContact O-N 3.32Å; N395-Y397 HydrophobicContact CB-CE1 4.34Å; N395-Y397 PolarHBondContact O-N 3.36Å; N395-K398 HydrophobicContact CB-CD 4.13Å; N395-K398 WeakPolarHBondContact O-CB 3.45Å; N395-K398 PolarHBondContact O-N 3.38Å; N395-K398 WeakPolarHBondContact OD1-CE 3.35Å; N395-K398 PolarHBondContact OD1-NZ 3.32Å
396D80.9Confident86.9Confident5 Ų553 Ų533%0.02729%0.293CS..THydrogen-bonded Turntrans-50.7-30.5-178.9-59.7-70000113.5D394 K398 D399 F400 R446 R447 L450D394-D396 VanDerWaalsContact C-N 3.33Å; D394-D396 PolarHBondContact O-N 2.9Å; D396-K398 PolarHBondContact O-N 2.68Å; D396-K398 VanDerWaalsContact O-N 3.1Å; D396-D399 PolarHBondContact O-N 2.67Å; D396-D399 VanDerWaalsContact O-N 3.07Å; D396-F400 VanDerWaalsContact O-CD2 3.25Å; D396-F400 WeakPolarHBondContact O-CD2 3.24Å; D396-R446 IonicContact OD2-CZ 3.44Å; D396-R446 IonicContact OD2-NE 2.74Å; D396-R446 PolarHBondContact OD2-NE 3.25Å; D396-R446 IonicContact OD2-NH2 3.18Å; D396-R446 PolarHBondContact OD2-NH2 3.3Å; D396-R447 HydrophobicContact CB-CG 4.23Å; D396-R447 IonicContact OD1-CZ 3.95Å; D396-R447 IonicContact OD1-NE 3.81Å; D396-R447 PolarHBondContact OD1-NE 2.79Å; D396-R447 IonicContact OD1-NH2 3.5Å; D396-R447 PolarHBondContact OD1-NH2 3.08Å; D396-L450 HydrophobicContact CB-CD1 3.8Å
397Y81Confident86.7Confident61 Ų6150.2 Ų50.224%0.23928%0.279CS..Hα-helixtrans-57.5-23.3178.971.2-87.3000114.5R392 N395 D399 G401 A402 C404R392-Y397 HydrophobicContact CB-CD1 4.03Å; R392-Y397 HydrophobicContact CB-CE1 3.82Å; R392-Y397 HydrophobicContact CG-CD1 3.93Å; R392-Y397 HydrophobicContact CG-CE1 3.82Å; R392-Y397 HydrophobicContact CG-CG 4.3Å; N395-Y397 HydrophobicContact CB-CE1 4.34Å; N395-Y397 PolarHBondContact O-N 3.36Å; Y397-D399 VanDerWaalsContact C-N 3.34Å; Y397-G401 PolarHBondContact O-N 2.98Å; Y397-G401 VanDerWaalsContact O-N 3.1Å; Y397-A402 PolarHBondContact O-N 3.41Å; Y397-C404 WeakPolarHBondContact CB-SG 3.33Å
398K83.2Confident86.7Confident128 Ų12850.1 Ų50.156%0.55728%0.278SS*.Hα-helixtrans-68.7-34.5177-67.3179.9178.21620112.1N395 D396 F400N395-K398 HydrophobicContact CB-CD 4.13Å; N395-K398 WeakPolarHBondContact O-CB 3.45Å; N395-K398 PolarHBondContact O-N 3.38Å; N395-K398 WeakPolarHBondContact OD1-CE 3.35Å; N395-K398 PolarHBondContact OD1-NZ 3.32Å; D396-K398 PolarHBondContact O-N 2.68Å; D396-K398 VanDerWaalsContact O-N 3.1Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 2.92Å
399D79.6Confident86.7Confident129 Ų12950.9 Ų50.969%0.6928%0.284SS*.Hα-helixtrans-74.3-25.4-177-53.2-38.4000111.8D396 Y397D396-D399 PolarHBondContact O-N 2.67Å; D396-D399 VanDerWaalsContact O-N 3.07Å; Y397-D399 VanDerWaalsContact C-N 3.34Å
400F77.1Confident86.7Confident91 Ų9153.1 Ų53.140%0.39929%0.286SS..Hα-helixtrans-100.5-9.2178.2-57.9-75.4000114D396 K398 A402 R447 L450 A451D396-F400 VanDerWaalsContact O-CD2 3.25Å; D396-F400 WeakPolarHBondContact O-CD2 3.24Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 2.92Å; F400-A402 HydrophobicContact CB-CB 4.3Å; F400-A402 PolarHBondContact O-N 3.42Å; F400-R447 HydrophobicContact CE2-CB 4.31Å; F400-R447 HydrophobicContact CE2-CG 4.2Å; F400-R447 HydrophobicContact CZ-CB 4.32Å; F400-L450 HydrophobicContact CB-CB 4.41Å; F400-L450 HydrophobicContact CD2-CB 3.69Å; F400-L450 HydrophobicContact CD2-CD1 4.3Å; F400-L450 HydrophobicContact CE2-CB 4.25Å; F400-L450 HydrophobicContact CG-CB 4.13Å; F400-A451 HydrophobicContact CD1-CB 3.97Å; F400-A451 HydrophobicContact CE1-CB 3.71Å; F400-A451 HydrophobicContact CZ-CB 4.34Å
401G78Confident86.8Confident70 Ų7053.1 Ų53.172%0.72229%0.286SS*.THydrogen-bonded Turntrans62.219.1-175.600000114.8Y397Y397-G401 PolarHBondContact O-N 2.98Å; Y397-G401 VanDerWaalsContact O-N 3.1Å
402A81.7Confident86.9Confident22 Ų2253.1 Ų53.118%0.18229%0.286CS..  trans-79.7138.7-166.200000113.3Y397 F400 C404 M407 L450Y397-A402 PolarHBondContact O-N 3.41Å; F400-A402 HydrophobicContact CB-CB 4.3Å; F400-A402 PolarHBondContact O-N 3.42Å; A402-C404 PolarHBondContact O-N 2.93Å; A402-M407 HydrophobicContact CB-SD 3.89Å; A402-L450 HydrophobicContact CB-CD2 4.01Å
403N88.6Confident87Confident106 Ų10651.7 Ų51.757%0.56729%0.285SS*.  trans-76.684.7176.3-179.94.6000111.3D405 G406 M407N403-D405 VanDerWaalsContact C-N 3.26Å; N403-D405 PolarHBondContact O-N 2.94Å; N403-D405 PolarHBondContact OD1-N 2.94Å; N403-G406 PolarHBondContact O-N 3.49Å; N403-G406 PolarHBondContact OD1-N 2.88Å; N403-G406 VanDerWaalsContact OD1-N 3.07Å; N403-M407 WeakPolarHBondContact O-CG 3.32Å; N403-M407 PolarHBondContact O-N 2.88Å
404C89.5Confident87.3Confident4 Ų452.7 Ų52.73%0.02729%0.288CS..Hα-helixtrans-55.6-36.1-179.3-63.20000114.3L391 R392 Y397 A402 A408L391-C404 HydrophobicContact CB-CB 4.03Å; R392-C404 HydrophobicContact CG-CB 3.87Å; Y397-C404 WeakPolarHBondContact CB-SG 3.33Å; A402-C404 PolarHBondContact O-N 2.93Å; C404-A408 WeakPolarHBondContact O-CB 3.45Å; C404-A408 PolarHBondContact O-N 3.23Å
405D89.8Confident87.8Confident43 Ų4347.7 Ų47.723%0.2326%0.261CS..Hα-helixtrans-73.5-37.6-178.1-61-78000110.8L373 A388 R392 N403 A409L373-D405 HydrophobicContact CD1-CB 4.3Å; A388-D405 HydrophobicContact CB-CB 4.44Å; A388-D405 VanDerWaalsContact CB-OD1 3.22Å; A388-D405 WeakPolarHBondContact CB-OD1 3.36Å; R392-D405 IonicContact CZ-OD1 3.62Å; R392-D405 VanDerWaalsContact CZ-OD1 3.31Å; R392-D405 IonicContact CZ-OD2 3.29Å; R392-D405 IonicContact NH1-OD1 3.08Å; R392-D405 PolarHBondContact NH1-OD1 3.16Å; R392-D405 IonicContact NH1-OD2 2.79Å; R392-D405 PolarHBondContact NH1-OD2 3.13Å; R392-D405 IonicContact NH2-OD1 3.59Å; R392-D405 PolarHBondContact NH2-OD1 3.44Å; R392-D405 IonicContact NH2-OD2 2.69Å; N403-D405 VanDerWaalsContact C-N 3.26Å; N403-D405 PolarHBondContact O-N 2.94Å; N403-D405 PolarHBondContact OD1-N 2.94Å; D405-A409 PolarHBondContact O-N 2.65Å; D405-A409 VanDerWaalsContact O-N 3.16Å
406G90.4Very high88.3Confident17 Ų1747.4 Ų47.418%0.17526%0.255CS..Hα-helixtrans-66.1-47.317100000113.1N403 A408 A409 E410N403-G406 PolarHBondContact O-N 3.49Å; N403-G406 PolarHBondContact OD1-N 2.88Å; N403-G406 VanDerWaalsContact OD1-N 3.07Å; G406-A408 VanDerWaalsContact C-N 3.28Å; G406-A408 PolarHBondContact O-N 2.98Å; G406-A409 PolarHBondContact O-N 3.39Å; G406-E410 PolarHBondContact O-N 3.2Å
407M91.4Very high88.8Confident27 Ų2752 Ų5213%0.13328%0.276CS..Hα-helixtrans-60.7-37.4176-65.9173.178.300112.1L391 A402 N403 E410 I411 V449 L450 L456L391-M407 HydrophobicContact CD1-CB 3.87Å; A402-M407 HydrophobicContact CB-SD 3.89Å; N403-M407 WeakPolarHBondContact O-CG 3.32Å; N403-M407 PolarHBondContact O-N 2.88Å; M407-E410 PolarHBondContact O-N 3.14Å; M407-I411 WeakPolarHBondContact O-CB 3.28Å; M407-I411 VanDerWaalsContact O-CG1 3.22Å; M407-I411 WeakPolarHBondContact O-CG1 3.46Å; M407-I411 PolarHBondContact O-N 2.76Å; M407-V449 HydrophobicContact CE-CG1 3.89Å; M407-V449 VanDerWaalsContact CE-O 3.28Å; M407-V449 WeakPolarHBondContact CE-O 3.33Å; M407-L450 HydrophobicContact SD-CD2 4.31Å; M407-L456 HydrophobicContact CB-CD1 4.29Å; M407-L456 HydrophobicContact CB-CD2 4.46Å; M407-L456 HydrophobicContact CE-CD2 3.81Å; M407-L456 HydrophobicContact CG-CD1 4.22Å
408A94.1Very high89.2Confident0 Ų053.8 Ų53.80%029%0.287CS..Hα-helixtrans-66.3-39.417700000112.7I384 L387 A388 L391 C404 G406 E412I384-A408 HydrophobicContact CG2-CB 4.17Å; L387-A408 HydrophobicContact CB-CB 3.75Å; A388-A408 HydrophobicContact CB-CB 3.66Å; A388-A408 VanDerWaalsContact N-CB 3.34Å; L391-A408 HydrophobicContact CD1-CB 4.36Å; C404-A408 WeakPolarHBondContact O-CB 3.45Å; C404-A408 PolarHBondContact O-N 3.23Å; G406-A408 VanDerWaalsContact C-N 3.28Å; G406-A408 PolarHBondContact O-N 2.98Å; A408-E412 WeakPolarHBondContact O-CB 3.48Å; A408-E412 PolarHBondContact O-N 2.94Å
409A94.1Very high89.4Confident15 Ų1549.5 Ų49.512%0.12427%0.27CS..Hα-helixtrans-63.8-43.5174.200000111.4L373 I384 D405 G406 E412 D413L373-A409 HydrophobicContact CB-CB 4.44Å; L373-A409 HydrophobicContact CD2-CB 4.02Å; I384-A409 HydrophobicContact CD1-CB 4.12Å; I384-A409 HydrophobicContact CG2-CB 4.08Å; D405-A409 PolarHBondContact O-N 2.65Å; D405-A409 VanDerWaalsContact O-N 3.16Å; G406-A409 PolarHBondContact O-N 3.39Å; A409-E412 PolarHBondContact O-N 3.24Å; A409-D413 PolarHBondContact O-N 2.93Å
410E93.8Very high89.8Confident97 Ų9752.7 Ų52.745%0.45327%0.272SS..Hα-helixtrans-68.1-39.3178.7-172.2176158.900112.9G406 M407 E412 H414 L456G406-E410 PolarHBondContact O-N 3.2Å; M407-E410 PolarHBondContact O-N 3.14Å; E410-E412 VanDerWaalsContact C-N 3.33Å; E410-H414 PolarHBondContact O-N 3.24Å; E410-H414 VanDerWaalsContact O-N 3.09Å; E410-H414 PolarHBondContact O-ND1 2.99Å; E410-H414 IonicContact OE1-CE1 2.72Å; E410-L456 HydrophobicContact CB-CD1 4.09Å; E410-L456 HydrophobicContact CG-CB 4.22Å; E410-L456 HydrophobicContact CG-CD1 4.07Å; E410-L456 WeakPolarHBondContact OE2-CD1 3.17Å
411I93.9Very high90.4Very high0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-63.2-40.7172.9-68.6168000110.8L387 L391 M407 I415 L456 I459L387-I411 HydrophobicContact CD1-CG2 4.33Å; L387-I411 HydrophobicContact CD2-CG2 4.42Å; L391-I411 HydrophobicContact CD1-CD1 4.37Å; M407-I411 WeakPolarHBondContact O-CB 3.28Å; M407-I411 VanDerWaalsContact O-CG1 3.22Å; M407-I411 WeakPolarHBondContact O-CG1 3.46Å; M407-I411 PolarHBondContact O-N 2.76Å; I411-I415 HydrophobicContact CG2-CD1 4Å; I411-I415 WeakPolarHBondContact O-CD1 3.46Å; I411-I415 VanDerWaalsContact O-CG1 3.29Å; I411-I415 WeakPolarHBondContact O-CG1 3.33Å; I411-I415 PolarHBondContact O-N 2.8Å; I411-L456 HydrophobicContact CD1-CD2 3.94Å; I411-L456 HydrophobicContact CG1-CB 4.13Å; I411-L456 HydrophobicContact CG1-CD2 3.89Å; I411-I459 HydrophobicContact CD1-CG2 3.75Å; I411-I459 HydrophobicContact CG1-CG2 3.69Å; I411-I459 HydrophobicContact CG2-CG2 4.35Å
412E94.8Very high90.9Very high1 Ų149 Ų491%0.00525%0.248CC..Hα-helixtrans-67.2-43.8178.9-168.2-80.1151.500111.8R380 C383 I384 L387 A408 A409 E410 I415 Y416 Y426R380-E412 WeakPolarHBondContact CG-OE1 3.48Å; R380-E412 IonicContact CZ-OE1 3.32Å; R380-E412 IonicContact CZ-OE2 2.83Å; R380-E412 VanDerWaalsContact CZ-OE2 3.29Å; R380-E412 IonicContact NE-OE1 2.68Å; R380-E412 PolarHBondContact NE-OE1 2.88Å; R380-E412 IonicContact NE-OE2 2.64Å; R380-E412 PolarHBondContact NE-OE2 3.13Å; R380-E412 VanDerWaalsContact NE-OE2 3.08Å; R380-E412 IonicContact NH2-OE1 3.57Å; R380-E412 IonicContact NH2-OE2 2.67Å; R380-E412 PolarHBondContact NH2-OE2 3.37Å; C383-E412 HydrophobicContact CB-CG 4.23Å; I384-E412 HydrophobicContact CD1-CB 4.47Å; I384-E412 HydrophobicContact CG1-CB 3.67Å; I384-E412 HydrophobicContact CG1-CG 3.75Å; L387-E412 HydrophobicContact CD1-CB 3.92Å; L387-E412 HydrophobicContact CD1-CG 4.42Å; A408-E412 WeakPolarHBondContact O-CB 3.48Å; A408-E412 PolarHBondContact O-N 2.94Å; A409-E412 PolarHBondContact O-N 3.24Å; E410-E412 VanDerWaalsContact C-N 3.33Å; E412-I415 WeakPolarHBondContact O-CB 3.2Å; E412-I415 PolarHBondContact O-N 2.94Å; E412-I415 VanDerWaalsContact O-N 3.14Å; E412-Y416 PolarHBondContact O-N 3.21Å; E412-Y426 WeakPolarHBondContact OE1-CE2 3.41Å; E412-Y426 VanDerWaalsContact OE1-CZ 3.23Å; E412-Y426 PolarHBondContact OE1-OH 3.01Å
413D93.2Very high91.2Very high58 Ų5850.6 Ų50.631%0.3125%0.253SS..Hα-helixtrans-67.7-38.1179.7-165.168.6000112.1R380 A409 I415 Y416 Q417R380-D413 IonicContact CZ-OD1 3.9Å; R380-D413 IonicContact NH1-OD1 3.31Å; R380-D413 IonicContact NH2-OD1 3.22Å; R380-D413 PolarHBondContact NH2-OD1 3.31Å; A409-D413 PolarHBondContact O-N 2.93Å; D413-I415 VanDerWaalsContact C-N 3.31Å; D413-I415 PolarHBondContact O-N 2.69Å; D413-Y416 CarbonylContact O-C 3.56Å; D413-Y416 WeakPolarHBondContact O-CA 3.49Å; D413-Y416 PolarHBondContact O-N 3.42Å; D413-Y416 VanDerWaalsContact O-N 3.07Å; D413-Q417 WeakPolarHBondContact O-CB 3.22Å; D413-Q417 VanDerWaalsContact O-CG 3.3Å; D413-Q417 WeakPolarHBondContact O-CG 3.27Å; D413-Q417 PolarHBondContact O-N 3.21Å; D413-Q417 PolarHBondContact OD2-NE2 3.11Å
414H93.8Very high91.4Very high50 Ų5051.5 Ų51.523%0.23126%0.255CS..Hα-helixtrans-60-38.8170.6-77.398000112.5E410 Y416 Q417 E418 S457 A460E410-H414 PolarHBondContact O-N 3.24Å; E410-H414 VanDerWaalsContact O-N 3.09Å; E410-H414 PolarHBondContact O-ND1 2.99Å; E410-H414 IonicContact OE1-CE1 2.72Å; H414-Y416 VanDerWaalsContact C-N 3.33Å; H414-Q417 PolarHBondContact O-N 2.87Å; H414-E418 PolarHBondContact O-N 2.98Å; H414-S457 WeakPolarHBondContact NE2-CB 3.48Å; H414-A460 HydrophobicContact CB-CB 3.34Å
415I92.4Very high91.5Very high0 Ų058.5 Ų58.50%029%0.285CS..Hα-helixtrans-65.6-37.9173.5-69165.6000110.9I411 E412 D413 I419 Y426 R429 V430 R433 A460I411-I415 HydrophobicContact CG2-CD1 4Å; I411-I415 WeakPolarHBondContact O-CD1 3.46Å; I411-I415 VanDerWaalsContact O-CG1 3.29Å; I411-I415 WeakPolarHBondContact O-CG1 3.33Å; I411-I415 PolarHBondContact O-N 2.8Å; E412-I415 WeakPolarHBondContact O-CB 3.2Å; E412-I415 PolarHBondContact O-N 2.94Å; E412-I415 VanDerWaalsContact O-N 3.14Å; D413-I415 VanDerWaalsContact C-N 3.31Å; D413-I415 PolarHBondContact O-N 2.69Å; I415-I419 HydrophobicContact CG2-CD1 4.09Å; I415-I419 PolarHBondContact O-N 2.91Å; I415-Y426 HydrophobicContact CG2-CD2 3.82Å; I415-Y426 HydrophobicContact CG2-CE2 4.12Å; I415-R429 HydrophobicContact CB-CG 4.5Å; I415-R429 HydrophobicContact CD1-CG 4.16Å; I415-R429 HydrophobicContact CG1-CG 4.04Å; I415-R429 HydrophobicContact CG2-CB 4.15Å; I415-R429 HydrophobicContact CG2-CG 3.67Å; I415-V430 HydrophobicContact CD1-CG2 4.26Å; I415-V430 HydrophobicContact CG2-CG2 4.22Å; I415-R433 HydrophobicContact CD1-CG 3.89Å; I415-A460 HydrophobicContact CG1-CB 3.87Å
416Y92.6Very high91.7Very high71 Ų7156.4 Ų56.428%0.27827%0.274SS..Hα-helixtrans-71.9-36.4177.2-171.4-93.3000112.8E412 D413 H414 E418 I419 R420 T422 Y426E412-Y416 PolarHBondContact O-N 3.21Å; D413-Y416 CarbonylContact O-C 3.56Å; D413-Y416 WeakPolarHBondContact O-CA 3.49Å; D413-Y416 PolarHBondContact O-N 3.42Å; D413-Y416 VanDerWaalsContact O-N 3.07Å; H414-Y416 VanDerWaalsContact C-N 3.33Å; Y416-E418 VanDerWaalsContact C-N 3.27Å; Y416-E418 PolarHBondContact O-N 2.93Å; Y416-I419 PolarHBondContact O-N 3.26Å; Y416-R420 WeakPolarHBondContact O-CA 3.33Å; Y416-R420 PolarHBondContact O-N 2.87Å; Y416-T422 HydrophobicContact CD2-CG2 4.39Å; Y416-T422 HydrophobicContact CE2-CG2 4.06Å; Y416-Y426 HydrophobicContact CD2-CD2 4.49Å; Y416-Y426 HydrophobicContact CD2-CE2 4.31Å
417Q91.9Very high91.8Very high101 Ų10158.3 Ų58.347%0.47228%0.277SS..Hα-helixtrans-62.7-33.4175.8-74.2177.337.800112.4D413 H414 R420D413-Q417 WeakPolarHBondContact O-CB 3.22Å; D413-Q417 VanDerWaalsContact O-CG 3.3Å; D413-Q417 WeakPolarHBondContact O-CG 3.27Å; D413-Q417 PolarHBondContact O-N 3.21Å; D413-Q417 PolarHBondContact OD2-NE2 3.11Å; H414-Q417 PolarHBondContact O-N 2.87Å; Q417-R420 VanDerWaalsContact O-CG 3.32Å; Q417-R420 WeakPolarHBondContact O-CG 3.48Å; Q417-R420 PolarHBondContact O-NE 3.43Å
418E88.7Confident91.8Very high100 Ų10061.1 Ų61.147%0.46729%0.293SS..Hα-helixtrans-73.5-46.2175.4-167.8-165.9131.600112.2H414 Y416 R429H414-E418 PolarHBondContact O-N 2.98Å; Y416-E418 VanDerWaalsContact C-N 3.27Å; Y416-E418 PolarHBondContact O-N 2.93Å; E418-R429 VanDerWaalsContact CD-NH1 3.34Å; E418-R429 IonicContact OE1-CZ 3.43Å; E418-R429 IonicContact OE1-NH1 2.7Å; E418-R429 PolarHBondContact OE1-NH1 2.98Å; E418-R429 IonicContact OE1-NH2 2.92Å; E418-R429 PolarHBondContact OE1-NH2 3.1Å; E418-R429 IonicContact OE2-CZ 3.18Å; E418-R429 IonicContact OE2-NH1 2.7Å; E418-R429 PolarHBondContact OE2-NH1 2.9Å; E418-R429 IonicContact OE2-NH2 2.97Å
419I88.8Confident91.8Very high38 Ų3863.8 Ų63.820%0.19530%0.303CS..Hα-helixtrans-97.3-28.6-168.4-58.7172.7000112.9I415 Y416 A421 R429I415-I419 HydrophobicContact CG2-CD1 4.09Å; I415-I419 PolarHBondContact O-N 2.91Å; Y416-I419 PolarHBondContact O-N 3.26Å; I419-A421 PolarHBondContact O-N 3.49Å; I419-A421 VanDerWaalsContact O-N 3.09Å; I419-R429 HydrophobicContact CD1-CB 4.07Å; I419-R429 HydrophobicContact CD1-CG 4.34Å
420R87.5Confident91.8Very high196 Ų19663.1 Ų63.174%0.7430%0.298SS*.  trans55.819.8174.7-54.4-174.9-176.4-178.6-1.7116.3Y416 Q417Y416-R420 WeakPolarHBondContact O-CA 3.33Å; Y416-R420 PolarHBondContact O-N 2.87Å; Q417-R420 VanDerWaalsContact O-CG 3.32Å; Q417-R420 WeakPolarHBondContact O-CG 3.48Å; Q417-R420 PolarHBondContact O-NE 3.43Å
421A89.3Confident91.7Very high44 Ų4464.1 Ų64.136%0.36430%0.297SS..SBendtrans-155145.4175.700000110.3I419 D423 Y426I419-A421 PolarHBondContact O-N 3.49Å; I419-A421 VanDerWaalsContact O-N 3.09Å; A421-D423 HydrophobicContact CB-CB 4.37Å; A421-D423 PolarHBondContact O-N 3.05Å; A421-Y426 VanDerWaalsContact O-CB 3.22Å; A421-Y426 WeakPolarHBondContact O-CB 3.48Å
422T88.4Confident91.7Very high40 Ų4065.6 Ų65.625%0.24531%0.308CS..  trans-81.241.8175.548.50000113.1D377 V379 R380 Y416 Y426 K427D377-T422 VanDerWaalsContact OD2-CG2 3.28Å; D377-T422 WeakPolarHBondContact OD2-CG2 3.33Å; D377-T422 PolarHBondContact OD2-OG1 3.21Å; V379-T422 HydrophobicContact CG1-CG2 4.41Å; R380-T422 HydrophobicContact CG-CG2 3.65Å; Y416-T422 HydrophobicContact CD2-CG2 4.39Å; Y416-T422 HydrophobicContact CE2-CG2 4.06Å; T422-Y426 HydrophobicContact CG2-CD1 4.25Å; T422-Y426 HydrophobicContact CG2-CE1 4.03Å; T422-K427 WeakPolarHBondContact O-CE 3.38Å; T422-K427 PolarHBondContact O-NZ 3.25Å
423D89.3Confident91.6Very high55 Ų5565.7 Ų65.729%0.29431%0.308SS..SBendtrans-75.5-173.1-176.296.1-45.9000113.1A421 K425 Y426 K427A421-D423 HydrophobicContact CB-CB 4.37Å; A421-D423 PolarHBondContact O-N 3.05Å; D423-K425 WeakPolarHBondContact OD1-CA 3.33Å; D423-K425 VanDerWaalsContact OD1-CB 3.3Å; D423-K425 WeakPolarHBondContact OD1-CB 3.44Å; D423-K425 PolarHBondContact OD1-N 3.36Å; D423-K425 WeakPolarHBondContact OD2-CB 3.49Å; D423-K425 VanDerWaalsContact OD2-CG 3.31Å; D423-K425 WeakPolarHBondContact OD2-CG 3.38Å; D423-K425 PolarHBondContact OD2-N 3.16Å; D423-Y426 PolarHBondContact OD1-N 2.95Å; D423-K427 WeakPolarHBondContact O-CD 3.26Å; D423-K427 WeakPolarHBondContact O-CG 3.15Å; D423-K427 PolarHBondContact O-N 3.29Å
424M91.4Very high91.6Very high124 Ų12463.9 Ų63.961%0.61130%0.298SS*.Hα-helixtrans-73.7-25.1176.6-70.1-61.5163.400113.7K427 N428M424-K427 HydrophobicContact CE-CD 4.27Å; M424-K427 HydrophobicContact SD-CB 4.45Å; M424-K427 HydrophobicContact SD-CD 4.07Å; M424-N428 WeakPolarHBondContact O-CB 3.34Å; M424-N428 PolarHBondContact O-N 3Å; M424-N428 PolarHBondContact O-ND2 2.96Å; M424-N428 PolarHBondContact O-OD1 3.16Å
425K91.2Very high91.6Very high151 Ų15165.3 Ų65.366%0.65731%0.313SS*.Hα-helixtrans-67.4-45.9171.5-58.8166.5-174.51730110.5D423 N428 R429D423-K425 WeakPolarHBondContact OD1-CA 3.33Å; D423-K425 VanDerWaalsContact OD1-CB 3.3Å; D423-K425 WeakPolarHBondContact OD1-CB 3.44Å; D423-K425 PolarHBondContact OD1-N 3.36Å; D423-K425 WeakPolarHBondContact OD2-CB 3.49Å; D423-K425 VanDerWaalsContact OD2-CG 3.31Å; D423-K425 WeakPolarHBondContact OD2-CG 3.38Å; D423-K425 PolarHBondContact OD2-N 3.16Å; K425-N428 PolarHBondContact O-N 2.58Å; K425-R429 WeakPolarHBondContact O-CB 3.46Å; K425-R429 PolarHBondContact O-N 3.34Å
426Y93.9Very high91.5Very high0 Ų066.3 Ų66.30%032%0.319CS..Hα-helixtrans-56.3-52.8171.9164.9-89.7000111.3V379 C383 E412 I415 Y416 A421 T422 D423 N428 R429 V430V379-Y426 HydrophobicContact CG1-CE1 4.48Å; C383-Y426 WeakPolarHBondContact CB-OH 3.32Å; E412-Y426 WeakPolarHBondContact OE1-CE2 3.41Å; E412-Y426 VanDerWaalsContact OE1-CZ 3.23Å; E412-Y426 PolarHBondContact OE1-OH 3.01Å; I415-Y426 HydrophobicContact CG2-CD2 3.82Å; I415-Y426 HydrophobicContact CG2-CE2 4.12Å; Y416-Y426 HydrophobicContact CD2-CD2 4.49Å; Y416-Y426 HydrophobicContact CD2-CE2 4.31Å; A421-Y426 VanDerWaalsContact O-CB 3.22Å; A421-Y426 WeakPolarHBondContact O-CB 3.48Å; T422-Y426 HydrophobicContact CG2-CD1 4.25Å; T422-Y426 HydrophobicContact CG2-CE1 4.03Å; D423-Y426 PolarHBondContact OD1-N 2.95Å; Y426-N428 VanDerWaalsContact C-N 3.28Å; Y426-N428 PolarHBondContact O-N 3.43Å; Y426-R429 WeakPolarHBondContact O-CB 3.29Å; Y426-R429 PolarHBondContact O-N 3.27Å; Y426-R429 VanDerWaalsContact O-N 3.1Å; Y426-V430 HydrophobicContact CD2-CG2 4.49Å; Y426-V430 HydrophobicContact CE1-CG2 4.34Å; Y426-V430 HydrophobicContact CE2-CG2 4.06Å; Y426-V430 PolarHBondContact O-N 3.3Å
427K92.7Very high91.4Very high57 Ų5763 Ų6325%0.24831%0.306CS..Hα-helixtrans-61.5-33.9177.4-76.5156.3-179151.10112.8T422 D423 M424 R431T422-K427 WeakPolarHBondContact O-CE 3.38Å; T422-K427 PolarHBondContact O-NZ 3.25Å; D423-K427 WeakPolarHBondContact O-CD 3.26Å; D423-K427 WeakPolarHBondContact O-CG 3.15Å; D423-K427 PolarHBondContact O-N 3.29Å; M424-K427 HydrophobicContact CE-CD 4.27Å; M424-K427 HydrophobicContact SD-CB 4.45Å; M424-K427 HydrophobicContact SD-CD 4.07Å; K427-R431 WeakPolarHBondContact O-CB 3.4Å; K427-R431 WeakPolarHBondContact O-CG 3.49Å; K427-R431 VanDerWaalsContact O-CZ 3.24Å; K427-R431 PolarHBondContact O-N 3.09Å; K427-R431 VanDerWaalsContact O-N 3.15Å; K427-R431 PolarHBondContact O-NE 3.04Å; K427-R431 PolarHBondContact O-NH2 3.15Å
428N93.1Very high91.4Very high86 Ų8663.3 Ų63.346%0.4631%0.306SS..Hα-helixtrans-69.7-42173.6-74.3-17000112M424 K425 Y426 R431 S432M424-N428 WeakPolarHBondContact O-CB 3.34Å; M424-N428 PolarHBondContact O-N 3Å; M424-N428 PolarHBondContact O-ND2 2.96Å; M424-N428 PolarHBondContact O-OD1 3.16Å; K425-N428 PolarHBondContact O-N 2.58Å; Y426-N428 VanDerWaalsContact C-N 3.28Å; Y426-N428 PolarHBondContact O-N 3.43Å; N428-R431 PolarHBondContact O-N 3.18Å; N428-R431 VanDerWaalsContact OD1-CZ 3.23Å; N428-R431 PolarHBondContact OD1-NH1 3.48Å; N428-R431 PolarHBondContact OD1-NH2 3.45Å; N428-S432 WeakPolarHBondContact O-CB 3.3Å; N428-S432 PolarHBondContact O-N 3.3Å
429R92.1Very high91.4Very high55 Ų5560.6 Ų60.621%0.20829%0.294CS..Hα-helixtrans-62.4-50.3178-179.767.173.879.65.8111.1I415 E418 I419 K425 Y426 R431 S432 R433 A460I415-R429 HydrophobicContact CB-CG 4.5Å; I415-R429 HydrophobicContact CD1-CG 4.16Å; I415-R429 HydrophobicContact CG1-CG 4.04Å; I415-R429 HydrophobicContact CG2-CB 4.15Å; I415-R429 HydrophobicContact CG2-CG 3.67Å; E418-R429 VanDerWaalsContact CD-NH1 3.34Å; E418-R429 IonicContact OE1-CZ 3.43Å; E418-R429 IonicContact OE1-NH1 2.7Å; E418-R429 PolarHBondContact OE1-NH1 2.98Å; E418-R429 IonicContact OE1-NH2 2.92Å; E418-R429 PolarHBondContact OE1-NH2 3.1Å; E418-R429 IonicContact OE2-CZ 3.18Å; E418-R429 IonicContact OE2-NH1 2.7Å; E418-R429 PolarHBondContact OE2-NH1 2.9Å; E418-R429 IonicContact OE2-NH2 2.97Å; I419-R429 HydrophobicContact CD1-CB 4.07Å; I419-R429 HydrophobicContact CD1-CG 4.34Å; K425-R429 WeakPolarHBondContact O-CB 3.46Å; K425-R429 PolarHBondContact O-N 3.34Å; Y426-R429 WeakPolarHBondContact O-CB 3.29Å; Y426-R429 PolarHBondContact O-N 3.27Å; Y426-R429 VanDerWaalsContact O-N 3.1Å; R429-R431 PolarHBondContact O-N 3.15Å; R429-S432 WeakPolarHBondContact O-CB 3.34Å; R429-S432 PolarHBondContact O-N 3.47Å; R429-S432 VanDerWaalsContact O-N 3.14Å; R429-R433 VanDerWaalsContact CD-CZ 3.49Å; R429-R433 WeakPolarHBondContact O-CG 3.49Å; R429-R433 PolarHBondContact O-N 3.14Å; R429-A460 PolarHBondContact NH1-O 2.88Å
430V94.1Very high91.3Very high2 Ų263.9 Ų63.91%0.01232%0.318CS..Hα-helixtrans-58-49.2175.6172.40000111.1C383 L387 I415 Y426 S432 R433 I434C383-V430 HydrophobicContact CB-CG1 3.86Å; C383-V430 HydrophobicContact CB-CG2 4.32Å; L387-V430 HydrophobicContact CD1-CG1 4.23Å; L387-V430 HydrophobicContact CG-CG1 4.26Å; I415-V430 HydrophobicContact CD1-CG2 4.26Å; I415-V430 HydrophobicContact CG2-CG2 4.22Å; Y426-V430 HydrophobicContact CD2-CG2 4.49Å; Y426-V430 HydrophobicContact CE1-CG2 4.34Å; Y426-V430 HydrophobicContact CE2-CG2 4.06Å; Y426-V430 PolarHBondContact O-N 3.3Å; V430-S432 VanDerWaalsContact C-N 3.27Å; V430-S432 PolarHBondContact O-N 3.02Å; V430-R433 PolarHBondContact O-N 2.89Å; V430-R433 VanDerWaalsContact O-N 3.15Å; V430-I434 HydrophobicContact CG1-CD1 3.67Å; V430-I434 HydrophobicContact CG1-CG1 4.46Å; V430-I434 WeakPolarHBondContact O-CG1 3.44Å; V430-I434 PolarHBondContact O-N 3.07Å
431R93.4Very high91.1Very high118 Ų11862.9 Ų62.945%0.44532%0.319SS..Hα-helixtrans-60.4-33.9176.4-79.3-175.9-86.798.6-1113.1K427 N428 R429 S435K427-R431 WeakPolarHBondContact O-CB 3.4Å; K427-R431 WeakPolarHBondContact O-CG 3.49Å; K427-R431 VanDerWaalsContact O-CZ 3.24Å; K427-R431 PolarHBondContact O-N 3.09Å; K427-R431 VanDerWaalsContact O-N 3.15Å; K427-R431 PolarHBondContact O-NE 3.04Å; K427-R431 PolarHBondContact O-NH2 3.15Å; N428-R431 PolarHBondContact O-N 3.18Å; N428-R431 VanDerWaalsContact OD1-CZ 3.23Å; N428-R431 PolarHBondContact OD1-NH1 3.48Å; N428-R431 PolarHBondContact OD1-NH2 3.45Å; R429-R431 PolarHBondContact O-N 3.15Å; R431-S435 WeakPolarHBondContact O-CB 3.49Å; R431-S435 PolarHBondContact O-N 3.37Å
432S92.7Very high90.9Very high31 Ų3162 Ų6222%0.21731%0.308CS..Hα-helixtrans-65-45.4173.7-178.90000112N428 R429 V430 S435 N436 A464N428-S432 WeakPolarHBondContact O-CB 3.3Å; N428-S432 PolarHBondContact O-N 3.3Å; R429-S432 WeakPolarHBondContact O-CB 3.34Å; R429-S432 PolarHBondContact O-N 3.47Å; R429-S432 VanDerWaalsContact O-N 3.14Å; V430-S432 VanDerWaalsContact C-N 3.27Å; V430-S432 PolarHBondContact O-N 3.02Å; S432-S435 PolarHBondContact O-N 2.86Å; S432-N436 PolarHBondContact O-N 3.14Å; S432-N436 PolarHBondContact O-ND2 2.82Å; S432-A464 WeakPolarHBondContact OG-CB 3.47Å
433R93.2Very high90.8Very high3 Ų362.1 Ų62.11%0.01131%0.31CS..Hα-helixtrans-61.3-48.5176.3-56.8-39.6-178.5-156.29.7111.5L387 I415 R429 V430 S435 N436 L437 I459 A460 S461 M462L387-R433 HydrophobicContact CD2-CB 3.99Å; I415-R433 HydrophobicContact CD1-CG 3.89Å; R429-R433 VanDerWaalsContact CD-CZ 3.49Å; R429-R433 WeakPolarHBondContact O-CG 3.49Å; R429-R433 PolarHBondContact O-N 3.14Å; V430-R433 PolarHBondContact O-N 2.89Å; V430-R433 VanDerWaalsContact O-N 3.15Å; R433-S435 VanDerWaalsContact C-N 3.26Å; R433-S435 PolarHBondContact O-N 2.72Å; R433-N436 PolarHBondContact O-N 3.23Å; R433-N436 VanDerWaalsContact O-N 3.08Å; R433-L437 WeakPolarHBondContact O-CG 3.18Å; R433-L437 PolarHBondContact O-N 3.27Å; R433-I459 WeakPolarHBondContact CD-O 3.49Å; R433-I459 VanDerWaalsContact CZ-O 3.22Å; R433-I459 PolarHBondContact NE-O 3.24Å; R433-I459 PolarHBondContact NH2-O 3.35Å; R433-A460 PolarHBondContact NE-O 2.74Å; R433-A460 VanDerWaalsContact NH2-C 3.26Å; R433-A460 PolarHBondContact NH2-O 3.13Å; R433-S461 PolarHBondContact NH2-O 3.46Å; R433-M462 PolarHBondContact NH1-O 3.48Å; R433-M462 PolarHBondContact NH2-O 2.89Å
434I93.8Very high90.8Very high19 Ų1960.9 Ų60.910%0.09731%0.31CS..Hα-helixtrans-55.3-42.3176.1-67.4163.6000111M386 L387 A390 V430 N436 K438M386-I434 HydrophobicContact CB-CD1 3.67Å; M386-I434 HydrophobicContact CE-CD1 4.26Å; L387-I434 HydrophobicContact CD2-CG1 3.79Å; L387-I434 HydrophobicContact CG-CD1 4.46Å; L387-I434 HydrophobicContact CG-CG1 4.16Å; A390-I434 HydrophobicContact CB-CG1 4.41Å; A390-I434 HydrophobicContact CB-CG2 4.28Å; V430-I434 HydrophobicContact CG1-CD1 3.67Å; V430-I434 HydrophobicContact CG1-CG1 4.46Å; V430-I434 WeakPolarHBondContact O-CG1 3.44Å; V430-I434 PolarHBondContact O-N 3.07Å; I434-N436 VanDerWaalsContact C-N 3.32Å; I434-N436 PolarHBondContact O-N 2.95Å; I434-K438 HydrophobicContact CG2-CD 3.83Å; I434-K438 VanDerWaalsContact O-CB 3.27Å; I434-K438 WeakPolarHBondContact O-CB 3.19Å; I434-K438 WeakPolarHBondContact O-CG 3.47Å; I434-K438 PolarHBondContact O-N 2.72Å
435S92.3Very high90.7Very high80 Ų8055.5 Ų55.556%0.55928%0.283SS*.Hα-helixtrans-69.3-25.5-179.9-167.70000114.3R431 S432 R433R431-S435 WeakPolarHBondContact O-CB 3.49Å; R431-S435 PolarHBondContact O-N 3.37Å; S432-S435 PolarHBondContact O-N 2.86Å; R433-S435 VanDerWaalsContact C-N 3.26Å; R433-S435 PolarHBondContact O-N 2.72Å
436N91.3Very high90.6Very high22 Ų2248.4 Ų48.412%0.11825%0.253CS..Hα-helixtrans-89-41.7179-76.5-98.3000111.5S432 R433 I434 K438 D439 L445 M467S432-N436 PolarHBondContact O-N 3.14Å; S432-N436 PolarHBondContact O-ND2 2.82Å; R433-N436 PolarHBondContact O-N 3.23Å; R433-N436 VanDerWaalsContact O-N 3.08Å; I434-N436 VanDerWaalsContact C-N 3.32Å; I434-N436 PolarHBondContact O-N 2.95Å; N436-K438 PolarHBondContact O-N 3.1Å; N436-D439 PolarHBondContact O-N 3.38Å; N436-D439 VanDerWaalsContact O-N 3.12Å; N436-L445 HydrophobicContact CB-CD2 3.84Å; N436-M467 HydrophobicContact CB-CB 4.16Å; N436-M467 HydrophobicContact CB-CE 3.91Å; N436-M467 HydrophobicContact CB-SD 4.12Å; N436-M467 WeakPolarHBondContact ND2-CE 3.39Å
437L90.5Very high90.4Very high1 Ų154.1 Ų54.11%0.00527%0.274CS..Hα-helixtrans-63.8-21174.6-66.7171.1000113.2L387 A390 L391 R433 R446 V449L387-L437 HydrophobicContact CD2-CD1 4.5Å; A390-L437 HydrophobicContact CB-CB 4.1Å; A390-L437 HydrophobicContact CB-CD1 4.48Å; L391-L437 HydrophobicContact CD2-CD1 3.97Å; L391-L437 HydrophobicContact CD2-CD2 4.13Å; L391-L437 HydrophobicContact CG-CD1 4.41Å; R433-L437 WeakPolarHBondContact O-CG 3.18Å; R433-L437 PolarHBondContact O-N 3.27Å; L437-R446 PolarHBondContact O-NH1 3.11Å; L437-V449 HydrophobicContact CD2-CG2 4.31Å
438K91.4Very high90.3Very high108 Ų10855 Ų5547%0.4728%0.282SS..THydrogen-bonded Turntrans-103.69.9176.3-61.8-176.666.9172.30114.1A390 I434 N436 P440A390-K438 HydrophobicContact CB-CD 3.96Å; A390-K438 HydrophobicContact CB-CG 3.72Å; I434-K438 HydrophobicContact CG2-CD 3.83Å; I434-K438 VanDerWaalsContact O-CB 3.27Å; I434-K438 WeakPolarHBondContact O-CB 3.19Å; I434-K438 WeakPolarHBondContact O-CG 3.47Å; I434-K438 PolarHBondContact O-N 2.72Å; N436-K438 PolarHBondContact O-N 3.1Å; K438-P440 WeakPolarHBondContact O-CD 3.3Å
439D89Confident90.2Very high42 Ų4251 Ų5123%0.22526%0.26CS..  trans-72.6113.3177.1-171.3-9.8000109.9N436 K441 N442N436-D439 PolarHBondContact O-N 3.38Å; N436-D439 VanDerWaalsContact O-N 3.12Å; D439-K441 PolarHBondContact O-N 2.82Å; D439-K441 VanDerWaalsContact O-N 3.11Å; D439-K441 VanDerWaalsContact OD1-CB 3.32Å; D439-K441 WeakPolarHBondContact OD1-CB 3.39Å; D439-K441 PolarHBondContact OD1-N 3.21Å; D439-N442 HydrophobicContact CB-CB 4.42Å; D439-N442 CarbonylContact O-C 3.32Å; D439-N442 PolarHBondContact O-N 2.72Å
440P86.6Confident90.1Very high107 Ų10748.8 Ų48.870%0.69525%0.253SS*.THydrogen-bonded Turntrans-65.2-13.4177.929.9-36.9000112.7K438K438-P440 WeakPolarHBondContact O-CD 3.3Å
441K84.3Confident89.9Confident176 Ų17651.1 Ų51.177%0.76527%0.272SS*.THydrogen-bonded Turntrans-86.9-7173.3-56.1-171.3175.5-1650113.5D439D439-K441 PolarHBondContact O-N 2.82Å; D439-K441 VanDerWaalsContact O-N 3.11Å; D439-K441 VanDerWaalsContact OD1-CB 3.32Å; D439-K441 WeakPolarHBondContact OD1-CB 3.39Å; D439-K441 PolarHBondContact OD1-N 3.21Å
442N85.3Confident89.5Confident24 Ų2448.2 Ų48.213%0.12828%0.278CS..  trans-13960.3177.5-164.12.2000113.3D439 G444 L445 M467 S469D439-N442 HydrophobicContact CB-CB 4.42Å; D439-N442 CarbonylContact O-C 3.32Å; D439-N442 PolarHBondContact O-N 2.72Å; N442-G444 PolarHBondContact O-N 3.1Å; N442-L445 PolarHBondContact O-N 3.03Å; N442-L445 PolarHBondContact OD1-N 3.36Å; N442-L445 VanDerWaalsContact OD1-N 3.07Å; N442-M467 PolarHBondContact ND2-O 2.97Å; N442-S469 WeakPolarHBondContact ND2-CA 3.36Å; N442-S469 PolarHBondContact ND2-N 2.92Å
443P86.2Confident89.3Confident44 Ų4451 Ų5129%0.28630%0.298SS..Hα-helixtrans-62-23.1170.328.3-35.1000112.1L445 R446 R447P443-L445 PolarHBondContact O-N 2.78Å; P443-R446 PolarHBondContact O-N 3.12Å; P443-R447 WeakPolarHBondContact O-CG 3.35Å; P443-R447 PolarHBondContact O-N 3.07Å
444G87.9Confident89.2Confident28 Ų2852.4 Ų52.429%0.28931%0.306SS..Hα-helixtrans-57.2-42.6175.400000113.3N442 R446 R447 N448N442-G444 PolarHBondContact O-N 3.1Å; G444-R446 PolarHBondContact O-N 3.47Å; G444-R447 PolarHBondContact O-N 3.38Å; G444-N448 VanDerWaalsContact O-CB 3.32Å; G444-N448 WeakPolarHBondContact O-CB 3.39Å; G444-N448 PolarHBondContact O-N 2.89Å; G444-N448 PolarHBondContact O-ND2 3.04Å; G444-N448 PolarHBondContact O-OD1 3.16Å
445L89.1Confident89Confident11 Ų1157.6 Ų57.66%0.05833%0.329CS..Hα-helixtrans-58-47.8175.1-179.673.7000111.8N436 N442 P443 N448 V449 I454 I459 M467N436-L445 HydrophobicContact CB-CD2 3.84Å; N442-L445 PolarHBondContact O-N 3.03Å; N442-L445 PolarHBondContact OD1-N 3.36Å; N442-L445 VanDerWaalsContact OD1-N 3.07Å; P443-L445 PolarHBondContact O-N 2.78Å; L445-N448 PolarHBondContact O-N 3.44Å; L445-V449 WeakPolarHBondContact O-CG2 3.31Å; L445-V449 PolarHBondContact O-N 3.28Å; L445-I454 HydrophobicContact CD1-CD1 3.81Å; L445-I459 HydrophobicContact CD1-CD1 4.26Å; L445-M467 HydrophobicContact CD1-CB 4.48Å; L445-M467 HydrophobicContact CD2-CB 4.05Å
446R89.9Confident88.9Confident2 Ų254.8 Ų54.81%0.00831%0.308CS..Hα-helixtrans-63.9-44.5179.9-178.9175.458.7-122.13.2111.2T393 D394 D396 L437 P443 G444 V449 L450T393-R446 PolarHBondContact O-NE 3.01Å; D394-R446 IonicContact OD2-CZ 2.71Å; D394-R446 IonicContact OD2-NH1 3.8Å; D394-R446 PolarHBondContact OD2-NH1 3.27Å; D394-R446 IonicContact OD2-NH2 2.74Å; D394-R446 PolarHBondContact OD2-NH2 3.41Å; D396-R446 IonicContact OD2-CZ 3.44Å; D396-R446 IonicContact OD2-NE 2.74Å; D396-R446 PolarHBondContact OD2-NE 3.25Å; D396-R446 IonicContact OD2-NH2 3.18Å; D396-R446 PolarHBondContact OD2-NH2 3.3Å; L437-R446 PolarHBondContact O-NH1 3.11Å; P443-R446 PolarHBondContact O-N 3.12Å; G444-R446 PolarHBondContact O-N 3.47Å; R446-V449 PolarHBondContact O-N 2.97Å; R446-L450 HydrophobicContact CG-CD1 3.89Å; R446-L450 HydrophobicContact CG-CG 4.48Å; R446-L450 VanDerWaalsContact O-CG 3.3Å; R446-L450 WeakPolarHBondContact O-CG 3.43Å; R446-L450 PolarHBondContact O-N 3.23Å
447R90Very high88.9Confident120 Ų12055.4 Ų55.445%0.45331%0.314SS..Hα-helixtrans-60.9-42.9175-70.2176.6179.1-174.7-4.6112.3D396 F400 P443 G444 V449 L450 A451D396-R447 HydrophobicContact CB-CG 4.23Å; D396-R447 IonicContact OD1-CZ 3.95Å; D396-R447 IonicContact OD1-NE 3.81Å; D396-R447 PolarHBondContact OD1-NE 2.79Å; D396-R447 IonicContact OD1-NH2 3.5Å; D396-R447 PolarHBondContact OD1-NH2 3.08Å; F400-R447 HydrophobicContact CE2-CB 4.31Å; F400-R447 HydrophobicContact CE2-CG 4.2Å; F400-R447 HydrophobicContact CZ-CB 4.32Å; P443-R447 WeakPolarHBondContact O-CG 3.35Å; P443-R447 PolarHBondContact O-N 3.07Å; G444-R447 PolarHBondContact O-N 3.38Å; R447-V449 VanDerWaalsContact C-N 3.31Å; R447-V449 PolarHBondContact O-N 2.96Å; R447-L450 PolarHBondContact O-N 3.22Å; R447-A451 VanDerWaalsContact O-CB 3.25Å; R447-A451 WeakPolarHBondContact O-CB 3.35Å; R447-A451 PolarHBondContact O-N 3.1Å
448N90.3Very high88.9Confident77 Ų7761.4 Ų61.441%0.41234%0.336SS..Hα-helixtrans-66.8-30.8178.9-69.8-11.1000112.8G444 L445 S453 I454G444-N448 VanDerWaalsContact O-CB 3.32Å; G444-N448 WeakPolarHBondContact O-CB 3.39Å; G444-N448 PolarHBondContact O-N 2.89Å; G444-N448 PolarHBondContact O-ND2 3.04Å; G444-N448 PolarHBondContact O-OD1 3.16Å; L445-N448 PolarHBondContact O-N 3.44Å; N448-S453 CarbonylContact O-C 3.56Å; N448-S453 WeakPolarHBondContact O-CA 3.47Å; N448-S453 WeakPolarHBondContact O-CB 3.12Å; N448-S453 PolarHBondContact O-N 2.84Å; N448-I454 HydrophobicContact CB-CD1 3.67Å; N448-I454 HydrophobicContact CB-CG1 3.98Å; N448-I454 PolarHBondContact O-N 3.09Å
449V90.8Very high88.9Confident0 Ų056.2 Ų56.20%031%0.314CS..Hα-helixtrans-72-46.4170.2171.70000111L391 M407 L437 L445 R446 R447 A451 G452 I454 L456 I459L391-V449 HydrophobicContact CD2-CG1 4.05Å; M407-V449 HydrophobicContact CE-CG1 3.89Å; M407-V449 VanDerWaalsContact CE-O 3.28Å; M407-V449 WeakPolarHBondContact CE-O 3.33Å; L437-V449 HydrophobicContact CD2-CG2 4.31Å; L445-V449 WeakPolarHBondContact O-CG2 3.31Å; L445-V449 PolarHBondContact O-N 3.28Å; R446-V449 PolarHBondContact O-N 2.97Å; R447-V449 VanDerWaalsContact C-N 3.31Å; R447-V449 PolarHBondContact O-N 2.96Å; V449-A451 VanDerWaalsContact C-N 3.3Å; V449-A451 PolarHBondContact O-N 3.37Å; V449-G452 PolarHBondContact O-N 2.92Å; V449-G452 VanDerWaalsContact O-N 3.11Å; V449-I454 HydrophobicContact CG2-CB 3.97Å; V449-I454 HydrophobicContact CG2-CD1 4.38Å; V449-I454 HydrophobicContact CG2-CG2 4.09Å; V449-L456 HydrophobicContact CG1-CD2 4.11Å; V449-I459 HydrophobicContact CG2-CB 4.41Å; V449-I459 HydrophobicContact CG2-CD1 4.18Å; V449-I459 HydrophobicContact CG2-CG1 4.16Å
450L90.2Very high89Confident10 Ų1054.3 Ų54.35%0.05230%0.304CS..Hα-helixtrans-63.2-32.7178.5-69.7167.1000113.3D396 F400 A402 M407 R446 R447 G452D396-L450 HydrophobicContact CB-CD1 3.8Å; F400-L450 HydrophobicContact CB-CB 4.41Å; F400-L450 HydrophobicContact CD2-CB 3.69Å; F400-L450 HydrophobicContact CD2-CD1 4.3Å; F400-L450 HydrophobicContact CE2-CB 4.25Å; F400-L450 HydrophobicContact CG-CB 4.13Å; A402-L450 HydrophobicContact CB-CD2 4.01Å; M407-L450 HydrophobicContact SD-CD2 4.31Å; R446-L450 HydrophobicContact CG-CD1 3.89Å; R446-L450 HydrophobicContact CG-CG 4.48Å; R446-L450 VanDerWaalsContact O-CG 3.3Å; R446-L450 WeakPolarHBondContact O-CG 3.43Å; R446-L450 PolarHBondContact O-N 3.23Å; R447-L450 PolarHBondContact O-N 3.22Å; L450-G452 VanDerWaalsContact C-N 3.31Å
451A89.1Confident89Confident50 Ų5052.1 Ų52.141%0.41329%0.291SS..THydrogen-bonded Turntrans-82.5-1.2175.900000114.2F400 R447 V449 S453F400-A451 HydrophobicContact CD1-CB 3.97Å; F400-A451 HydrophobicContact CE1-CB 3.71Å; F400-A451 HydrophobicContact CZ-CB 4.34Å; R447-A451 VanDerWaalsContact O-CB 3.25Å; R447-A451 WeakPolarHBondContact O-CB 3.35Å; R447-A451 PolarHBondContact O-N 3.1Å; V449-A451 VanDerWaalsContact C-N 3.3Å; V449-A451 PolarHBondContact O-N 3.37Å; A451-S453 PolarHBondContact O-N 3.12Å
452G86.8Confident89Confident57 Ų5744.7 Ų44.759%0.58826%0.259SS*.THydrogen-bonded Turntrans72.82.7-176.700000115.4V449 L450 I454V449-G452 PolarHBondContact O-N 2.92Å; V449-G452 VanDerWaalsContact O-N 3.11Å; L450-G452 VanDerWaalsContact C-N 3.31Å; G452-I454 PolarHBondContact O-N 3.41Å
453S88.3Confident89Confident91 Ų9145.7 Ų45.764%0.63627%0.269SS*.SBendtrans-66.1-19.8175.3-53.50000113.3N448 A451N448-S453 CarbonylContact O-C 3.56Å; N448-S453 WeakPolarHBondContact O-CA 3.47Å; N448-S453 WeakPolarHBondContact O-CB 3.12Å; N448-S453 PolarHBondContact O-N 2.84Å; A451-S453 PolarHBondContact O-N 3.12Å
454I90Very high88.7Confident32 Ų3245.1 Ų45.116%0.16427%0.267CS..SBendtrans-121117.6169.5-62.7171.5000108.1L445 N448 V449 G452 I459 M462L445-I454 HydrophobicContact CD1-CD1 3.81Å; N448-I454 HydrophobicContact CB-CD1 3.67Å; N448-I454 HydrophobicContact CB-CG1 3.98Å; N448-I454 PolarHBondContact O-N 3.09Å; V449-I454 HydrophobicContact CG2-CB 3.97Å; V449-I454 HydrophobicContact CG2-CD1 4.38Å; V449-I454 HydrophobicContact CG2-CG2 4.09Å; G452-I454 PolarHBondContact O-N 3.41Å; I454-I459 HydrophobicContact CG2-CB 4.16Å; I454-M462 HydrophobicContact CG2-SD 4.44Å
455E90.4Very high88.2Confident127 Ų12749.3 Ų49.359%0.59328%0.279SS*.  trans-63.6147-179.8-161.5-170.3137.700112.5S457 R458 I459E455-S457 VanDerWaalsContact C-N 3.31Å; E455-S457 PolarHBondContact O-N 2.95Å; E455-S457 WeakPolarHBondContact OE1-CB 3.36Å; E455-S457 PolarHBondContact OE1-OG 3.45Å; E455-R458 HydrophobicContact CB-CB 4.14Å; E455-R458 WeakPolarHBondContact O-CA 3.33Å; E455-R458 WeakPolarHBondContact O-CB 3.21Å; E455-R458 PolarHBondContact O-N 3.31Å; E455-I459 PolarHBondContact O-N 3.11Å
456L90.7Very high87.7Confident22 Ų2251.3 Ų51.312%0.11529%0.288CS..Hα-helixtrans-66.8-31.9-177.4-56.1-179.1000112.3M407 E410 I411 V449 I459 A460M407-L456 HydrophobicContact CB-CD1 4.29Å; M407-L456 HydrophobicContact CB-CD2 4.46Å; M407-L456 HydrophobicContact CE-CD2 3.81Å; M407-L456 HydrophobicContact CG-CD1 4.22Å; E410-L456 HydrophobicContact CB-CD1 4.09Å; E410-L456 HydrophobicContact CG-CB 4.22Å; E410-L456 HydrophobicContact CG-CD1 4.07Å; E410-L456 WeakPolarHBondContact OE2-CD1 3.17Å; I411-L456 HydrophobicContact CD1-CD2 3.94Å; I411-L456 HydrophobicContact CG1-CB 4.13Å; I411-L456 HydrophobicContact CG1-CD2 3.89Å; V449-L456 HydrophobicContact CG1-CD2 4.11Å; L456-I459 WeakPolarHBondContact O-CG2 3.32Å; L456-A460 VanDerWaalsContact O-CB 3.31Å; L456-A460 WeakPolarHBondContact O-CB 3.22Å; L456-A460 PolarHBondContact O-N 3.36Å; L456-A460 VanDerWaalsContact O-N 3.12Å
457S91.2Very high87.2Confident34 Ų3451.3 Ų51.324%0.23829%0.289CS..Hα-helixtrans-66.2-35.1169.279.20000112.7H414 E455 S461H414-S457 WeakPolarHBondContact NE2-CB 3.48Å; E455-S457 VanDerWaalsContact C-N 3.31Å; E455-S457 PolarHBondContact O-N 2.95Å; E455-S457 WeakPolarHBondContact OE1-CB 3.36Å; E455-S457 PolarHBondContact OE1-OG 3.45Å; S457-S461 PolarHBondContact O-N 2.92Å; S457-S461 PolarHBondContact O-OG 3.13Å
458R90.4Very high86.5Confident127 Ų12746 Ų4648%0.47927%0.27SS..Hα-helixtrans-74.3-45.4-179.6-177.254.8172.5-88.72.1111.3E455 A460 S461 M462 E466E455-R458 HydrophobicContact CB-CB 4.14Å; E455-R458 WeakPolarHBondContact O-CA 3.33Å; E455-R458 WeakPolarHBondContact O-CB 3.21Å; E455-R458 PolarHBondContact O-N 3.31Å; R458-A460 PolarHBondContact O-N 2.96Å; R458-S461 PolarHBondContact O-N 2.95Å; R458-S461 PolarHBondContact O-OG 3.12Å; R458-M462 HydrophobicContact CG-SD 4.24Å; R458-M462 VanDerWaalsContact O-CB 3.25Å; R458-M462 WeakPolarHBondContact O-CB 3.23Å; R458-M462 WeakPolarHBondContact O-CG 3.44Å; R458-M462 PolarHBondContact O-N 3.33Å; R458-E466 IonicContact CZ-OE1 3.69Å; R458-E466 IonicContact NE-OE1 2.8Å; R458-E466 PolarHBondContact NE-OE1 3Å; R458-E466 IonicContact NH2-OE1 3.23Å; R458-E466 PolarHBondContact NH2-OE1 2.83Å
459I90.9Very high86.1Confident0 Ų043.1 Ų43.10%026%0.256CS..Hα-helixtrans-65.5-29.3174.5-165.569.2000111.6I411 R433 L445 V449 I454 E455 L456 M462 M467I411-I459 HydrophobicContact CD1-CG2 3.75Å; I411-I459 HydrophobicContact CG1-CG2 3.69Å; I411-I459 HydrophobicContact CG2-CG2 4.35Å; R433-I459 WeakPolarHBondContact CD-O 3.49Å; R433-I459 VanDerWaalsContact CZ-O 3.22Å; R433-I459 PolarHBondContact NE-O 3.24Å; R433-I459 PolarHBondContact NH2-O 3.35Å; L445-I459 HydrophobicContact CD1-CD1 4.26Å; V449-I459 HydrophobicContact CG2-CB 4.41Å; V449-I459 HydrophobicContact CG2-CD1 4.18Å; V449-I459 HydrophobicContact CG2-CG1 4.16Å; I454-I459 HydrophobicContact CG2-CB 4.16Å; E455-I459 PolarHBondContact O-N 3.11Å; L456-I459 WeakPolarHBondContact O-CG2 3.32Å; I459-M462 HydrophobicContact CD1-SD 3.81Å; I459-M467 HydrophobicContact CD1-CG 4.05Å; I459-M467 HydrophobicContact CD1-SD 3.55Å; I459-M467 VanDerWaalsContact CD1-SD 3.55Å; I459-M467 HydrophobicContact CG1-SD 4.49Å
460A90.4Very high85.6Confident2 Ų249 Ų492%0.01729%0.287CS..Hα-helixtrans-66.3-34.4172.700000113.5H414 I415 R429 R433 L456 R458H414-A460 HydrophobicContact CB-CB 3.34Å; I415-A460 HydrophobicContact CG1-CB 3.87Å; R429-A460 PolarHBondContact NH1-O 2.88Å; R433-A460 PolarHBondContact NE-O 2.74Å; R433-A460 VanDerWaalsContact NH2-C 3.26Å; R433-A460 PolarHBondContact NH2-O 3.13Å; L456-A460 VanDerWaalsContact O-CB 3.31Å; L456-A460 WeakPolarHBondContact O-CB 3.22Å; L456-A460 PolarHBondContact O-N 3.36Å; L456-A460 VanDerWaalsContact O-N 3.12Å; R458-A460 PolarHBondContact O-N 2.96Å
461S87.6Confident85.3Confident60 Ų6056.3 Ų56.342%0.4232%0.321SS..Hα-helixtrans-100.9-40.3-172.652.60000115.7R433 S457 R458R433-S461 PolarHBondContact NH2-O 3.46Å; S457-S461 PolarHBondContact O-N 2.92Å; S457-S461 PolarHBondContact O-OG 3.13Å; R458-S461 PolarHBondContact O-N 2.95Å; R458-S461 PolarHBondContact O-OG 3.12Å
462M84.4Confident85Confident20 Ų2056.9 Ų56.910%0.09932%0.317CS..SBendtrans-55.9156.6-171.568.6-170.6-58.100115.6R433 I454 R458 I459 E466 M467R433-M462 PolarHBondContact NH1-O 3.48Å; R433-M462 PolarHBondContact NH2-O 2.89Å; I454-M462 HydrophobicContact CG2-SD 4.44Å; R458-M462 HydrophobicContact CG-SD 4.24Å; R458-M462 VanDerWaalsContact O-CB 3.25Å; R458-M462 WeakPolarHBondContact O-CB 3.23Å; R458-M462 WeakPolarHBondContact O-CG 3.44Å; R458-M462 PolarHBondContact O-N 3.33Å; I459-M462 HydrophobicContact CD1-SD 3.81Å; M462-E466 WeakPolarHBondContact CB-OE2 3.46Å; M462-E466 HydrophobicContact CE-CB 4.34Å; M462-E466 HydrophobicContact CE-CG 3.9Å; M462-M467 HydrophobicContact CE-CG 3.92Å; M462-M467 HydrophobicContact CG-CG 3.62Å; M462-M467 HydrophobicContact CG-SD 4.17Å; M462-M467 HydrophobicContact SD-CG 3.73Å
463S83.8Confident85Confident46 Ų4657 Ų5732%0.32230%0.302SS..  trans-73.9160.3-171.8113.10000114E465 E466 M467S463-E465 VanDerWaalsContact CB-OE2 3.27Å; S463-E465 WeakPolarHBondContact CB-OE2 3.37Å; S463-E465 PolarHBondContact O-N 3.4Å; S463-E465 WeakPolarHBondContact OG-CB 3.48Å; S463-E465 PolarHBondContact OG-N 3.48Å; S463-E465 VanDerWaalsContact OG-N 3.11Å; S463-E465 PolarHBondContact OG-OE2 2.68Å; S463-E466 PolarHBondContact N-OE2 2.52Å; S463-E466 WeakPolarHBondContact O-CB 3.5Å; S463-E466 PolarHBondContact O-N 2.69Å; S463-E466 PolarHBondContact OG-N 3.08Å; S463-M467 WeakPolarHBondContact O-CG 3.45Å; S463-M467 PolarHBondContact O-N 3.02Å; S463-M467 VanDerWaalsContact O-N 3.16Å
464A79.9Confident84.9Confident31 Ų3158.2 Ų58.226%0.25630%0.297SS..THydrogen-bonded Turntrans-69.2-23.7175.500000112.7S432 M467S432-A464 WeakPolarHBondContact OG-CB 3.47Å; A464-M467 HydrophobicContact CB-CE 4.43Å
465E77.5Confident84.9Confident116 Ų11661.1 Ų61.154%0.54231%0.312SS..THydrogen-bonded Turntrans-81.5-30.7174.4-52.167.4-146.100110.7S463S463-E465 VanDerWaalsContact CB-OE2 3.27Å; S463-E465 WeakPolarHBondContact CB-OE2 3.37Å; S463-E465 PolarHBondContact O-N 3.4Å; S463-E465 WeakPolarHBondContact OG-CB 3.48Å; S463-E465 PolarHBondContact OG-N 3.48Å; S463-E465 VanDerWaalsContact OG-N 3.11Å; S463-E465 PolarHBondContact OG-OE2 2.68Å
466E80.3Confident84.8Confident54 Ų5460 Ų6025%0.25230%0.303SS..THydrogen-bonded Turntrans-75.5-33.3179.4-164.3-173.4162.500113.4R458 M462 S463 K473R458-E466 IonicContact CZ-OE1 3.69Å; R458-E466 IonicContact NE-OE1 2.8Å; R458-E466 PolarHBondContact NE-OE1 3Å; R458-E466 IonicContact NH2-OE1 3.23Å; R458-E466 PolarHBondContact NH2-OE1 2.83Å; M462-E466 WeakPolarHBondContact CB-OE2 3.46Å; M462-E466 HydrophobicContact CE-CB 4.34Å; M462-E466 HydrophobicContact CE-CG 3.9Å; S463-E466 PolarHBondContact N-OE2 2.52Å; S463-E466 WeakPolarHBondContact O-CB 3.5Å; S463-E466 PolarHBondContact O-N 2.69Å; S463-E466 PolarHBondContact OG-N 3.08Å; E466-K473 PolarHBondContact O-NZ 3.03Å
467M77.7Confident84.7Confident2 Ų262.7 Ų62.71%0.0132%0.317CS..SBendtrans-78.5-13.1175.7-67.4-177.4-60.200114.7N436 N442 L445 I459 M462 S463 A464N436-M467 HydrophobicContact CB-CB 4.16Å; N436-M467 HydrophobicContact CB-CE 3.91Å; N436-M467 HydrophobicContact CB-SD 4.12Å; N436-M467 WeakPolarHBondContact ND2-CE 3.39Å; N442-M467 PolarHBondContact ND2-O 2.97Å; L445-M467 HydrophobicContact CD1-CB 4.48Å; L445-M467 HydrophobicContact CD2-CB 4.05Å; I459-M467 HydrophobicContact CD1-CG 4.05Å; I459-M467 HydrophobicContact CD1-SD 3.55Å; I459-M467 VanDerWaalsContact CD1-SD 3.55Å; I459-M467 HydrophobicContact CG1-SD 4.49Å; M462-M467 HydrophobicContact CE-CG 3.92Å; M462-M467 HydrophobicContact CG-CG 3.62Å; M462-M467 HydrophobicContact CG-SD 4.17Å; M462-M467 HydrophobicContact SD-CG 3.73Å; S463-M467 WeakPolarHBondContact O-CG 3.45Å; S463-M467 PolarHBondContact O-N 3.02Å; S463-M467 VanDerWaalsContact O-N 3.16Å; A464-M467 HydrophobicContact CB-CE 4.43Å
468A77.1Confident84.9Confident7 Ų763.3 Ų63.36%0.05832%0.32CS..SBendtrans-59.5155.8177.400000110.8D470 L472A468-D470 PolarHBondContact O-N 2.78Å; A468-L472 HydrophobicContact CB-CD2 4.32Å; A468-L472 HydrophobicContact CB-CG 4.5Å
469S81.5Confident85.1Confident18 Ų1861.9 Ų61.913%0.12632%0.321CS..  trans-54.1142.7175.361.50000110.6N442 E471 L472 K473N442-S469 WeakPolarHBondContact ND2-CA 3.36Å; N442-S469 PolarHBondContact ND2-N 2.92Å; S469-E471 PolarHBondContact O-N 3.46Å; S469-E471 VanDerWaalsContact O-N 3.13Å; S469-L472 PolarHBondContact O-N 2.81Å; S469-L472 WeakPolarHBondContact OG-CB 3.42Å; S469-L472 PolarHBondContact OG-N 3.2Å; S469-K473 WeakPolarHBondContact O-CB 3.37Å; S469-K473 PolarHBondContact O-N 2.86Å
470D79.9Confident85.2Confident122 Ų12265.8 Ų65.865%0.65235%0.345SS*.Hα-helixtrans-60.5-29.4-173.4-67.6-57.6000112.5A468 K473 Q474A468-D470 PolarHBondContact O-N 2.78Å; D470-K473 IonicContact OD1-NZ 3.75Å; D470-Q474 WeakPolarHBondContact O-CB 3.18Å; D470-Q474 PolarHBondContact O-N 3.1Å
471E84.8Confident85.2Confident164 Ų16471.5 Ų71.577%0.76637%0.371SS*.Hα-helixtrans-61.5-51.1168.8-174.3-170.6-164.100112.4S469 K473 Q474 L475S469-E471 PolarHBondContact O-N 3.46Å; S469-E471 VanDerWaalsContact O-N 3.13Å; E471-K473 VanDerWaalsContact C-N 3.32Å; E471-K473 PolarHBondContact O-N 3.25Å; E471-Q474 PolarHBondContact O-N 3.4Å; E471-L475 WeakPolarHBondContact O-CB 3.31Å; E471-L475 PolarHBondContact O-N 3.06Å
472L82.2Confident85.4Confident62 Ų6272.5 Ų72.533%0.32537%0.369SS..Hα-helixtrans-68-34.1-179.8179.658.5000111.8A468 S469 R476A468-L472 HydrophobicContact CB-CD2 4.32Å; A468-L472 HydrophobicContact CB-CG 4.5Å; S469-L472 PolarHBondContact O-N 2.81Å; S469-L472 WeakPolarHBondContact OG-CB 3.42Å; S469-L472 PolarHBondContact OG-N 3.2Å; L472-R476 WeakPolarHBondContact O-CB 3.35Å; L472-R476 VanDerWaalsContact O-CG 3.23Å; L472-R476 WeakPolarHBondContact O-CG 3.37Å; L472-R476 PolarHBondContact O-N 3.46Å
473K85.6Confident85.9Confident61 Ų6174.1 Ų74.127%0.26539%0.386SS..Hα-helixtrans-65.6-45.9173.7-172.6173.6177.5176.90110.7E466 S469 D470 E471 R476 N477E466-K473 PolarHBondContact O-NZ 3.03Å; S469-K473 WeakPolarHBondContact O-CB 3.37Å; S469-K473 PolarHBondContact O-N 2.86Å; D470-K473 IonicContact OD1-NZ 3.75Å; E471-K473 VanDerWaalsContact C-N 3.32Å; E471-K473 PolarHBondContact O-N 3.25Å; K473-R476 PolarHBondContact O-N 2.96Å; K473-N477 WeakPolarHBondContact O-CB 3.35Å; K473-N477 PolarHBondContact O-N 3.09Å; K473-N477 PolarHBondContact O-ND2 2.94Å
474Q87.3Confident86.2Confident115 Ų11576.1 Ų76.154%0.53739%0.392SS..Hα-helixtrans-65.2-43.1174.6-177.66010.800112D470 E471 R476 N477 V478D470-Q474 WeakPolarHBondContact O-CB 3.18Å; D470-Q474 PolarHBondContact O-N 3.1Å; E471-Q474 PolarHBondContact O-N 3.4Å; Q474-R476 PolarHBondContact O-N 3.32Å; Q474-N477 WeakPolarHBondContact O-CB 3.46Å; Q474-N477 PolarHBondContact O-N 2.98Å; Q474-V478 WeakPolarHBondContact O-CG2 3.21Å; Q474-V478 PolarHBondContact O-N 3.16Å
475L89.3Confident86.6Confident93 Ų9380.5 Ų80.549%0.48740%0.402SS..Hα-helixtrans-61-44.1175.7179.560.9000111.7E471 V478 L479E471-L475 WeakPolarHBondContact O-CB 3.31Å; E471-L475 PolarHBondContact O-N 3.06Å; L475-V478 PolarHBondContact O-N 3.41Å; L475-L479 HydrophobicContact CD1-CD1 3.99Å; L475-L479 HydrophobicContact CD1-CG 4.17Å; L475-L479 HydrophobicContact CG-CD1 4Å; L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 VanDerWaalsContact O-CG 3.31Å; L475-L479 WeakPolarHBondContact O-CG 3.28Å; L475-L479 PolarHBondContact O-N 2.96Å
476R89.2Confident87Confident105 Ų10582.1 Ų82.140%0.39641%0.409SS..Hα-helixtrans-60.5-43.2173-76.8169.5177.3169.2-0.6111.9L472 K473 Q474 T480L472-R476 WeakPolarHBondContact O-CB 3.35Å; L472-R476 VanDerWaalsContact O-CG 3.23Å; L472-R476 WeakPolarHBondContact O-CG 3.37Å; L472-R476 PolarHBondContact O-N 3.46Å; K473-R476 PolarHBondContact O-N 2.96Å; Q474-R476 PolarHBondContact O-N 3.32Å; R476-T480 VanDerWaalsContact O-CB 3.24Å; R476-T480 WeakPolarHBondContact O-CB 3.24Å; R476-T480 PolarHBondContact O-N 3.02Å; R476-T480 PolarHBondContact O-OG1 3.31Å
477N89.1Confident87.3Confident77 Ų7787 Ų8741%0.41243%0.432SS..Hα-helixtrans-62.1-46176.7-71.2-21.6000111.8K473 Q474 T480 Q481K473-N477 WeakPolarHBondContact O-CB 3.35Å; K473-N477 PolarHBondContact O-N 3.09Å; K473-N477 PolarHBondContact O-ND2 2.94Å; Q474-N477 WeakPolarHBondContact O-CB 3.46Å; Q474-N477 PolarHBondContact O-N 2.98Å; N477-T480 PolarHBondContact O-N 3.03Å; N477-Q481 WeakPolarHBondContact O-CB 3.42Å; N477-Q481 VanDerWaalsContact O-CG 3.31Å; N477-Q481 WeakPolarHBondContact O-CG 3.42Å; N477-Q481 PolarHBondContact O-N 3.21Å
478V94.6Very high87.5Confident48 Ų4893.4 Ų93.429%0.29146%0.462SS..Hα-helixtrans-60.9-53.1177.7169.90000110.7Q474 L475 T480 Q481 E482Q474-V478 WeakPolarHBondContact O-CG2 3.21Å; Q474-V478 PolarHBondContact O-N 3.16Å; L475-V478 PolarHBondContact O-N 3.41Å; V478-T480 VanDerWaalsContact C-N 3.29Å; V478-T480 PolarHBondContact O-N 3.23Å; V478-Q481 PolarHBondContact O-N 2.87Å; V478-E482 HydrophobicContact CG1-CG 4.48Å; V478-E482 WeakPolarHBondContact O-CB 3.46Å; V478-E482 WeakPolarHBondContact O-CG 3.24Å; V478-E482 PolarHBondContact O-N 2.93Å
479L93.8Very high87.1Confident97 Ų9798.7 Ų98.751%0.50849%0.487SS..Hα-helixtrans-61.3-36.7179.3-68.7170.8000112.5L475 E482 A483L475-L479 HydrophobicContact CD1-CD1 3.99Å; L475-L479 HydrophobicContact CD1-CG 4.17Å; L475-L479 HydrophobicContact CG-CD1 4Å; L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 VanDerWaalsContact O-CG 3.31Å; L475-L479 WeakPolarHBondContact O-CG 3.28Å; L475-L479 PolarHBondContact O-N 2.96Å; L479-E482 PolarHBondContact O-N 3.48Å; L479-A483 WeakPolarHBondContact O-CB 3.5Å; L479-A483 PolarHBondContact O-N 3.45Å
480T92.8Very high86.3Confident82 Ų82101.3 Ų101.350%0.50351%0.509SS..Hα-helixtrans-69.2-43.8176.7-56.60000111.1R476 N477 V478 E482 I484R476-T480 VanDerWaalsContact O-CB 3.24Å; R476-T480 WeakPolarHBondContact O-CB 3.24Å; R476-T480 PolarHBondContact O-N 3.02Å; R476-T480 PolarHBondContact O-OG1 3.31Å; N477-T480 PolarHBondContact O-N 3.03Å; V478-T480 VanDerWaalsContact C-N 3.29Å; V478-T480 PolarHBondContact O-N 3.23Å; T480-E482 VanDerWaalsContact C-N 3.31Å; T480-E482 PolarHBondContact O-N 2.92Å; T480-I484 HydrophobicContact CG2-CD1 3.93Å; T480-I484 WeakPolarHBondContact O-CB 3.31Å; T480-I484 WeakPolarHBondContact O-CD1 3.45Å; T480-I484 WeakPolarHBondContact O-CG1 3.22Å; T480-I484 PolarHBondContact O-N 3.17Å
481Q92.1Very high85.6Confident121 Ų121103.8 Ų103.857%0.56551%0.514SS*.Hα-helixtrans-64.9-34.6174.4-73.3-179.712.600112.3N477 V478 R485N477-Q481 WeakPolarHBondContact O-CB 3.42Å; N477-Q481 VanDerWaalsContact O-CG 3.31Å; N477-Q481 WeakPolarHBondContact O-CG 3.42Å; N477-Q481 PolarHBondContact O-N 3.21Å; V478-Q481 PolarHBondContact O-N 2.87Å; Q481-R485 WeakPolarHBondContact O-CB 3.42Å; Q481-R485 PolarHBondContact O-N 3.44Å
482E91.9Very high84.7Confident82 Ų82103.4 Ų103.438%0.38352%0.523SS..Hα-helixtrans-67.3-48.9176-81.6170.1172.300112V478 L479 T480 I484 R485 E486V478-E482 HydrophobicContact CG1-CG 4.48Å; V478-E482 WeakPolarHBondContact O-CB 3.46Å; V478-E482 WeakPolarHBondContact O-CG 3.24Å; V478-E482 PolarHBondContact O-N 2.93Å; L479-E482 PolarHBondContact O-N 3.48Å; T480-E482 VanDerWaalsContact C-N 3.31Å; T480-E482 PolarHBondContact O-N 2.92Å; E482-I484 VanDerWaalsContact C-N 3.32Å; E482-I484 PolarHBondContact O-N 3.25Å; E482-R485 VanDerWaalsContact CG-NH1 3.34Å; E482-R485 PolarHBondContact O-N 3.03Å; E482-R485 VanDerWaalsContact O-N 3.16Å; E482-E486 WeakPolarHBondContact O-CB 3.38Å; E482-E486 PolarHBondContact O-N 2.82Å
483A92.9Very high84.1Confident54 Ų54103.1 Ų103.145%0.44654%0.535SS..Hα-helixtrans-61.1-39.7175.200000112.3L479 H487L479-A483 WeakPolarHBondContact O-CB 3.5Å; L479-A483 PolarHBondContact O-N 3.45Å; A483-H487 VanDerWaalsContact O-CB 3.27Å; A483-H487 WeakPolarHBondContact O-CB 3.4Å; A483-H487 PolarHBondContact O-N 3.45Å
484I90.4Very high83.7Confident87 Ų87101.8 Ų101.845%0.44654%0.539SS..Hα-helixtrans-63.3-45.1173.9-71.2167.7000110.8T480 E482 H487 Q488T480-I484 HydrophobicContact CG2-CD1 3.93Å; T480-I484 WeakPolarHBondContact O-CB 3.31Å; T480-I484 WeakPolarHBondContact O-CD1 3.45Å; T480-I484 WeakPolarHBondContact O-CG1 3.22Å; T480-I484 PolarHBondContact O-N 3.17Å; E482-I484 VanDerWaalsContact C-N 3.32Å; E482-I484 PolarHBondContact O-N 3.25Å; I484-H487 PolarHBondContact O-N 2.97Å; I484-Q488 WeakPolarHBondContact O-CB 3.36Å; I484-Q488 VanDerWaalsContact O-CG 3.28Å; I484-Q488 WeakPolarHBondContact O-CG 3.45Å; I484-Q488 PolarHBondContact O-N 3.45Å
485R89Confident83.7Confident123 Ų123100 Ų10046%0.46454%0.536SS..Hα-helixtrans-64.9-47179.8-168.8-167.7-47.7130.18.6111.4Q481 E482 Q488 M489Q481-R485 WeakPolarHBondContact O-CB 3.42Å; Q481-R485 PolarHBondContact O-N 3.44Å; E482-R485 VanDerWaalsContact CG-NH1 3.34Å; E482-R485 PolarHBondContact O-N 3.03Å; E482-R485 VanDerWaalsContact O-N 3.16Å; R485-Q488 PolarHBondContact O-N 3.3Å; R485-M489 WeakPolarHBondContact O-CG 3.2Å; R485-M489 PolarHBondContact O-N 3.33Å
486E85.6Confident83.7Confident151 Ų151100.5 Ų100.571%0.70654%0.543SS*.Hα-helixtrans-58-49.2176.1-177.8177.7-149.800110.9E482 Q488 M489 A490E482-E486 WeakPolarHBondContact O-CB 3.38Å; E482-E486 PolarHBondContact O-N 2.82Å; E486-Q488 VanDerWaalsContact C-N 3.33Å; E486-Q488 PolarHBondContact O-N 3.39Å; E486-M489 PolarHBondContact O-N 2.87Å; E486-A490 PolarHBondContact O-N 2.67Å
487H85.8Confident83.7Confident155 Ų15596.5 Ų96.572%0.71853%0.53SS*.Hα-helixtrans-62.5-37.7179.3-167.167.4000112.8A483 I484 M489 A490A483-H487 VanDerWaalsContact O-CB 3.27Å; A483-H487 WeakPolarHBondContact O-CB 3.4Å; A483-H487 PolarHBondContact O-N 3.45Å; I484-H487 PolarHBondContact O-N 2.97Å; H487-M489 VanDerWaalsContact C-N 3.3Å; H487-M489 PolarHBondContact O-N 2.92Å; H487-A490 WeakPolarHBondContact O-CB 3.23Å
488Q82.1Confident83.8Confident137 Ų13797.1 Ų97.164%0.6453%0.534SS*.Hα-helixtrans-69.6-24.2173.8-73.3177.11600113.6I484 R485 E486I484-Q488 WeakPolarHBondContact O-CB 3.36Å; I484-Q488 VanDerWaalsContact O-CG 3.28Å; I484-Q488 WeakPolarHBondContact O-CG 3.45Å; I484-Q488 PolarHBondContact O-N 3.45Å; R485-Q488 PolarHBondContact O-N 3.3Å; E486-Q488 VanDerWaalsContact C-N 3.33Å; E486-Q488 PolarHBondContact O-N 3.39Å
489M70Confident83.5Confident119 Ų119102.2 Ų102.259%0.58656%0.558SS**Hα-helixtrans-88.3-1.7-179.6-66.8-62.5152.500113.8R485 E486 H487 K491R485-M489 WeakPolarHBondContact O-CG 3.2Å; R485-M489 PolarHBondContact O-N 3.33Å; E486-M489 PolarHBondContact O-N 2.87Å; H487-M489 VanDerWaalsContact C-N 3.3Å; H487-M489 PolarHBondContact O-N 2.92Å; M489-K491 PolarHBondContact O-N 2.98Å
490A63.4Low83.3Confident72 Ų7299.4 Ų99.460%0.59554%0.544SS*.  trans-69.762.3174.400000112.9E486 H487 T492E486-A490 PolarHBondContact O-N 2.67Å; H487-A490 WeakPolarHBondContact O-CB 3.23Å; A490-T492 PolarHBondContact O-N 3.48Å
491K66.5Low83.3Confident175 Ų175101.3 Ų101.376%0.76155%0.547SS*.  trans-65125.8174.2-72.3172.7179.5168.50109.8M489 G493M489-K491 PolarHBondContact O-N 2.98Å; K491-G493 PolarHBondContact O-N 3.01Å
492T65.9Low83.4Confident156 Ų15695.5 Ų95.596%0.95752%0.52SS*.  trans-71.563.9175.3-36.90000111.9A490A490-T492 PolarHBondContact O-N 3.48Å
493G68.3Low83.4Confident56 Ų5695.2 Ų95.258%0.57754%0.538SS*.  trans-84.6140.3171.200000111.3K491K491-G493 PolarHBondContact O-N 3.01Å
494G78.1Confident83.4Confident33 Ų33100 Ų10034%0.3455%0.549SS..  trans-73.9-162.8155.700000111T496 T511 Y512G494-T496 PolarHBondContact O-N 3.06Å; G494-T511 VanDerWaalsContact C-CG2 3.49Å; G494-T511 WeakPolarHBondContact O-CG2 3.28Å; G494-Y512 CarbonylContact C-O 3.53Å; G494-Y512 WeakPolarHBondContact CA-O 3.43Å
495T87.2Confident83.6Confident76 Ų7697.9 Ų97.947%0.46654%0.542SS..EExtended strand (participates in β ladder)trans-69.9115.4176.733.90000111.2Y512T495-Y512 PolarHBondContact N-O 2.83Å; T495-Y512 WeakPolarHBondContact O-CD1 3.25Å; T495-Y512 PolarHBondContact O-N 3.37Å; T495-Y512 VanDerWaalsContact OG1-CD1 3.3Å; T495-Y512 WeakPolarHBondContact OG1-CD1 3.4Å; T495-Y512 WeakPolarHBondContact OG1-CE1 3.2Å; T495-Y512 WeakPolarHBondContact OG1-CE2 3.36Å; T495-Y512 PolarHBondContact OG1-O 2.97Å
496T89.1Confident83.8Confident105 Ų10599.6 Ų99.664%0.64455%0.553SS**EExtended strand (participates in β ladder)trans-67.5137.3172.249.20000110.9G494 C510G494-T496 PolarHBondContact O-N 3.06Å; T496-C510 CarbonylContact C-O 3.5Å; T496-C510 WeakPolarHBondContact CA-O 3.39Å
497T89.2Confident84.2Confident21 Ų2197.6 Ų97.613%0.12954%0.542CS..EExtended strand (participates in β ladder)trans-145.9140.5-176.7-1750000111.5L499 L500 C510 Y512T497-L499 WeakPolarHBondContact OG1-CD1 3.49Å; T497-L499 PolarHBondContact OG1-N 2.75Å; T497-L500 HydrophobicContact CG2-CB 4.29Å; T497-L500 HydrophobicContact CG2-CD1 3.76Å; T497-L500 HydrophobicContact CG2-CG 3.94Å; T497-C510 HydrophobicContact CG2-CB 4.48Å; T497-C510 PolarHBondContact N-O 3.06Å; T497-C510 PolarHBondContact O-N 3.48Å; T497-Y512 HydrophobicContact CG2-CD1 3.6Å; T497-Y512 HydrophobicContact CG2-CE1 4.3Å; T497-Y512 HydrophobicContact CG2-CG 4.48Å
498D90.8Very high84.5Confident90 Ų9094.6 Ų94.648%0.48153%0.526SS..SBendtrans-96.1-3.1170.8-162.673.5000112.4L500 K508D498-L500 PolarHBondContact O-N 3.45Å; D498-K508 WeakPolarHBondContact O-CE 3.29Å; D498-K508 PolarHBondContact O-NZ 3.12Å; D498-K508 WeakPolarHBondContact OD1-CB 3.43Å; D498-K508 WeakPolarHBondContact OD2-CE 3.39Å; D498-K508 IonicContact OD2-NZ 2.73Å; D498-K508 PolarHBondContact OD2-NZ 3.2Å
499L89.7Confident85Confident154 Ų15491.1 Ų91.181%0.80651%0.512SS*.SBendtrans-70.4-14.8-179-7673000112.4T497T497-L499 WeakPolarHBondContact OG1-CD1 3.49Å; T497-L499 PolarHBondContact OG1-N 2.75Å
500L88.9Confident86Confident38 Ų3885.4 Ų85.420%0.19948%0.484CS..SBendtrans-117.3107.2-170.3-58.8179.6000111T497 D498 C510 V528 W537 F539T497-L500 HydrophobicContact CG2-CB 4.29Å; T497-L500 HydrophobicContact CG2-CD1 3.76Å; T497-L500 HydrophobicContact CG2-CG 3.94Å; D498-L500 PolarHBondContact O-N 3.45Å; L500-C510 HydrophobicContact CB-CB 4.35Å; L500-C510 PolarHBondContact O-SG 2.9Å; L500-V528 HydrophobicContact CB-CG1 4.48Å; L500-V528 HydrophobicContact CD1-CB 4.43Å; L500-V528 HydrophobicContact CD1-CG1 3.74Å; L500-V528 HydrophobicContact CD1-CG2 3.73Å; L500-W537 HydrophobicContact CB-CZ2 4.49Å; L500-F539 HydrophobicContact CD1-CE2 4.21Å; L500-F539 HydrophobicContact CD2-CE2 3.81Å; L500-F539 HydrophobicContact CD2-CZ 4.14Å
501Q93.3Very high87.4Confident122 Ų12282.7 Ų82.757%0.5746%0.46SS*.  trans-79.9132177-165.4173.818.300111.4G503 K506 K508Q501-G503 PolarHBondContact O-N 2.91Å; Q501-K506 VanDerWaalsContact CG-O 3.31Å; Q501-K506 WeakPolarHBondContact CG-O 3.15Å; Q501-K506 PolarHBondContact NE2-O 3.31Å; Q501-K508 HydrophobicContact CB-CG 4.09Å; Q501-K508 HydrophobicContact CG-CG 4.03Å
502C94.3Very high88.6Confident0 Ų077.7 Ų77.70%044%0.437CS..  trans-79.2121.2177.2-174.20000111.9K504 K506 K507 C530 C533 W537C502-K504 PolarHBondContact O-N 3.11Å; C502-K504 VanDerWaalsContact O-N 3.1Å; C502-K506 WeakPolarHBondContact O-CA 3.18Å; C502-K506 PolarHBondContact O-N 3.12Å; C502-K507 WeakPolarHBondContact CB-O 3.48Å; C502-K507 PolarHBondContact N-O 3.12Å; C502-C530 HydrophobicContact CB-CB 3.71Å; C502-C530 VanDerWaalsContact CB-SG 3.56Å; C502-C530 WeakPolarHBondContact SG-CB 3.29Å; C502-C533 VanDerWaalsContact SG-SG 3.6Å; C502-W537 HydrophobicContact CB-CH2 3.93Å; C502-W537 HydrophobicContact CB-CZ3 4.29Å
503G91.9Very high89.7Confident75 Ų7574.5 Ų74.577%0.77341%0.414SS*.THydrogen-bonded Turntrans-60.1-20.4179.300000115.9Q501Q501-G503 PolarHBondContact O-N 2.91Å
504K92.7Very high90.6Very high154 Ų15476.3 Ų76.367%0.6741%0.408SS*.THydrogen-bonded Turntrans-85.3-55.7178.4-74.5-171.6179.1157.70113.4C502 N535C502-K504 PolarHBondContact O-N 3.11Å; C502-K504 VanDerWaalsContact O-N 3.1Å; K504-N535 HydrophobicContact CD-CB 4.12Å; K504-N535 VanDerWaalsContact CD-OD1 3.28Å; K504-N535 WeakPolarHBondContact CD-OD1 3.43Å; K504-N535 WeakPolarHBondContact CE-OD1 3.27Å; K504-N535 PolarHBondContact NZ-OD1 3.13Å
505C94.3Very high91Very high44 Ų4477.6 Ų77.630%0.29741%0.408SS..THydrogen-bonded Turntrans-100.2-1.9-174.966.30000114.2K507 C530 C533C505-K507 PolarHBondContact O-N 3.26Å; C505-C530 VanDerWaalsContact SG-SG 3.61Å; C505-C533 HydrophobicContact CB-CB 4.18Å; C505-C533 VanDerWaalsContact SG-SG 3.62Å
506K93Very high90.8Very high159 Ų15979.7 Ų79.769%0.69141%0.413SS*.  trans57.70.7-175.9-58.8-176.1-179.4-179.30115.9Q501 C502Q501-K506 VanDerWaalsContact CG-O 3.31Å; Q501-K506 WeakPolarHBondContact CG-O 3.15Å; Q501-K506 PolarHBondContact NE2-O 3.31Å; C502-K506 WeakPolarHBondContact O-CA 3.18Å; C502-K506 PolarHBondContact O-N 3.12Å
507K93.4Very high90.3Very high109 Ų10978.3 Ų78.347%0.47441%0.405SS..  trans-74.8156.3170.2-61.5178.5174.7178.20110.8C502 C505 E532C502-K507 WeakPolarHBondContact CB-O 3.48Å; C502-K507 PolarHBondContact N-O 3.12Å; C505-K507 PolarHBondContact O-N 3.26Å; K507-E532 HydrophobicContact CB-CG 4Å; K507-E532 HydrophobicContact CD-CB 3.82Å; K507-E532 HydrophobicContact CD-CG 3.51Å; K507-E532 WeakPolarHBondContact CD-OE2 3.09Å; K507-E532 WeakPolarHBondContact CE-OE2 3.47Å; K507-E532 HydrophobicContact CG-CG 4.42Å; K507-E532 IonicContact NZ-OE2 2.65Å; K507-E532 PolarHBondContact NZ-OE2 2.7Å
508K93.4Very high89.9Confident91 Ų9184.9 Ų84.940%0.39643%0.427SS..  trans-105.4-9.7-174.9-63.9168.496.7-145.80114.1D498 Q501 C510D498-K508 WeakPolarHBondContact O-CE 3.29Å; D498-K508 PolarHBondContact O-NZ 3.12Å; D498-K508 WeakPolarHBondContact OD1-CB 3.43Å; D498-K508 WeakPolarHBondContact OD2-CE 3.39Å; D498-K508 IonicContact OD2-NZ 2.73Å; D498-K508 PolarHBondContact OD2-NZ 3.2Å; Q501-K508 HydrophobicContact CB-CG 4.09Å; Q501-K508 HydrophobicContact CG-CG 4.03Å; K508-C510 PolarHBondContact O-N 3.18Å
509N91.4Very high89.5Confident64 Ų6484.3 Ų84.334%0.34243%0.43SS..  trans-63.292.8175179.711.3000111.3N531 E532N509-N531 PolarHBondContact O-N 2.9Å; N509-N531 PolarHBondContact OD1-ND2 3.08Å; N509-E532 HydrophobicContact CB-CG 3.9Å; N509-E532 PolarHBondContact ND2-OE1 2.86Å
510C91.6Very high88.8Confident0 Ų081.1 Ų81.10%043%0.426CS..EExtended strand (participates in β ladder)trans-130.7160.7-176-64.90000111T496 T497 L500 K508 V528 L529T496-C510 CarbonylContact C-O 3.5Å; T496-C510 WeakPolarHBondContact CA-O 3.39Å; T497-C510 HydrophobicContact CG2-CB 4.48Å; T497-C510 PolarHBondContact N-O 3.06Å; T497-C510 PolarHBondContact O-N 3.48Å; L500-C510 HydrophobicContact CB-CB 4.35Å; L500-C510 PolarHBondContact O-SG 2.9Å; K508-C510 PolarHBondContact O-N 3.18Å; C510-V528 HydrophobicContact CB-CG1 4.11Å; C510-L529 CarbonylContact C-O 3.58Å; C510-L529 VanDerWaalsContact CA-O 3.27Å; C510-L529 WeakPolarHBondContact CA-O 3.49Å
511T92.5Very high88.6Confident14 Ų1486.6 Ų86.69%0.08646%0.456CS..EExtended strand (participates in β ladder)trans-127123.7178.6-59.40000107.8G494 V528 L529 N531G494-T511 VanDerWaalsContact C-CG2 3.49Å; G494-T511 WeakPolarHBondContact O-CG2 3.28Å; T511-V528 CarbonylContact O-C 3.6Å; T511-V528 WeakPolarHBondContact O-CA 3.46Å; T511-L529 PolarHBondContact N-O 2.99Å; T511-L529 PolarHBondContact O-N 3.5Å; T511-N531 PolarHBondContact OG1-ND2 3.23Å; T511-N531 PolarHBondContact OG1-OD1 2.97Å
512Y91Very high87.9Confident70 Ų7084.4 Ų84.428%0.27545%0.445SS..EExtended strand (participates in β ladder)trans-107.7155.7175.980.5-83.4000112G494 T495 T497 Q514 T526 F527G494-Y512 CarbonylContact C-O 3.53Å; G494-Y512 WeakPolarHBondContact CA-O 3.43Å; T495-Y512 PolarHBondContact N-O 2.83Å; T495-Y512 WeakPolarHBondContact O-CD1 3.25Å; T495-Y512 PolarHBondContact O-N 3.37Å; T495-Y512 VanDerWaalsContact OG1-CD1 3.3Å; T495-Y512 WeakPolarHBondContact OG1-CD1 3.4Å; T495-Y512 WeakPolarHBondContact OG1-CE1 3.2Å; T495-Y512 WeakPolarHBondContact OG1-CE2 3.36Å; T495-Y512 PolarHBondContact OG1-O 2.97Å; T497-Y512 HydrophobicContact CG2-CD1 3.6Å; T497-Y512 HydrophobicContact CG2-CE1 4.3Å; T497-Y512 HydrophobicContact CG2-CG 4.48Å; Y512-Q514 HydrophobicContact CD2-CG 4.25Å; Y512-Q514 HydrophobicContact CE2-CG 4.36Å; Y512-T526 HydrophobicContact CD2-CG2 4.01Å; Y512-T526 HydrophobicContact CG-CG2 4.5Å; Y512-F527 CarbonylContact C-O 3.51Å; Y512-F527 VanDerWaalsContact CA-O 3.23Å; Y512-F527 WeakPolarHBondContact CA-O 3.42Å
513N89.3Confident87.2Confident90 Ų9088.6 Ų88.648%0.48147%0.472SS..EExtended strand (participates in β ladder)trans-145.7135.6171.1-172.815.9000108.9F527N513-F527 PolarHBondContact N-O 2.64Å; N513-F527 PolarHBondContact O-N 3.41Å
514Q87.5Confident86.9Confident94 Ų9490 Ų9044%0.43946%0.46SS..EExtended strand (participates in β ladder)trans-105.9123-177-82.2170.8-32.100110.2Y512 M524 T526Y512-Q514 HydrophobicContact CD2-CG 4.25Å; Y512-Q514 HydrophobicContact CE2-CG 4.36Å; Q514-M524 HydrophobicContact CB-CG 4.26Å; Q514-M524 HydrophobicContact CB-SD 3.74Å; Q514-M524 VanDerWaalsContact CD-SD 3.52Å; Q514-M524 HydrophobicContact CG-CG 4.24Å; Q514-M524 HydrophobicContact CG-SD 3.89Å; Q514-T526 HydrophobicContact CG-CG2 3.99Å; Q514-T526 WeakPolarHBondContact CG-OG1 3.49Å; Q514-T526 PolarHBondContact NE2-OG1 2.96Å
515V85.8Confident86.8Confident59 Ų5982.9 Ų82.936%0.35843%0.43SS..EExtended strand (participates in β ladder)trans-137.2127.8-175.2-171.40000109.2T517 T525 F527V515-T517 HydrophobicContact CB-CG2 4.08Å; V515-T517 HydrophobicContact CG1-CG2 3.73Å; V515-T517 PolarHBondContact O-N 3.47Å; V515-T517 VanDerWaalsContact O-N 3.11Å; V515-T525 PolarHBondContact N-O 2.84Å; V515-T525 PolarHBondContact O-N 2.81Å; V515-F527 HydrophobicContact CB-CD2 4.26Å; V515-F527 HydrophobicContact CB-CE2 4.13Å; V515-F527 HydrophobicContact CG2-CD2 4.28Å
516Q84.9Confident86.6Confident121 Ų12181.9 Ų81.957%0.56542%0.422SS*.  trans-7893.6170.5-170.5168.526.800108.9
517T77.8Confident86.5Confident76 Ų7678.1 Ų78.147%0.46641%0.406SS..  trans-9310.2-17748.40000114.1V515 T525 F527V515-T517 HydrophobicContact CB-CG2 4.08Å; V515-T517 HydrophobicContact CG1-CG2 3.73Å; V515-T517 PolarHBondContact O-N 3.47Å; V515-T517 VanDerWaalsContact O-N 3.11Å; T517-T525 PolarHBondContact OG1-OG1 2.93Å; T517-F527 HydrophobicContact CG2-CE2 3.74Å; T517-F527 HydrophobicContact CG2-CZ 3.92Å
518R80.8Confident86.4Confident159 Ų15973.1 Ų73.160%0.639%0.385SS*.SBendtrans-148.7-179-172.8-74.1-169.1157.5-154.5-7.3111.3E522R518-E522 HydrophobicContact CB-CB 4.2Å; R518-E522 WeakPolarHBondContact CD-OE1 3.38Å; R518-E522 WeakPolarHBondContact CD-OE2 3.16Å; R518-E522 IonicContact CZ-OE1 2.63Å; R518-E522 IonicContact CZ-OE2 3.62Å; R518-E522 IonicContact NE-OE1 2.9Å; R518-E522 IonicContact NE-OE2 3.61Å; R518-E522 VanDerWaalsContact NH1-CD 3.27Å; R518-E522 IonicContact NH1-OE1 3.72Å; R518-E522 PolarHBondContact NH1-OE1 2.85Å; R518-E522 IonicContact NH1-OE2 2.72Å; R518-E522 PolarHBondContact NH1-OE2 2.94Å
519S81.4Confident86.4Confident77 Ų7770.6 Ų70.654%0.53838%0.375SS..  trans-51.4161.3-180-53.20000113.8D521 E522S519-D521 PolarHBondContact O-N 3.15Å; S519-D521 VanDerWaalsContact O-N 3.11Å; S519-E522 PolarHBondContact O-N 3.46Å; S519-E522 VanDerWaalsContact O-N 3.13Å
520A75.2Confident86.4Confident88 Ų8867.5 Ų67.573%0.72736%0.359SS*.THydrogen-bonded Turntrans-58.7-24.4179.700000113.7E522A520-E522 VanDerWaalsContact C-N 3.34Å
521D84.7Confident86.4Confident153 Ų15370.7 Ų70.782%0.81838%0.376SS*.THydrogen-bonded Turntrans-81.5-7.3-178-39.9-85.4000113.9S519S519-D521 PolarHBondContact O-N 3.15Å; S519-D521 VanDerWaalsContact O-N 3.11Å
522E78.7Confident86.3Confident75 Ų7574 Ų7435%0.3539%0.39SS..SBendtrans-107.3142.7175.5-76.7-171.4-126.600112.4R518 S519 A520R518-E522 HydrophobicContact CB-CB 4.2Å; R518-E522 WeakPolarHBondContact CD-OE1 3.38Å; R518-E522 WeakPolarHBondContact CD-OE2 3.16Å; R518-E522 IonicContact CZ-OE1 2.63Å; R518-E522 IonicContact CZ-OE2 3.62Å; R518-E522 IonicContact NE-OE1 2.9Å; R518-E522 IonicContact NE-OE2 3.61Å; R518-E522 VanDerWaalsContact NH1-CD 3.27Å; R518-E522 IonicContact NH1-OE1 3.72Å; R518-E522 PolarHBondContact NH1-OE1 2.85Å; R518-E522 IonicContact NH1-OE2 2.72Å; R518-E522 PolarHBondContact NH1-OE2 2.94Å; S519-E522 PolarHBondContact O-N 3.46Å; S519-E522 VanDerWaalsContact O-N 3.13Å; A520-E522 VanDerWaalsContact C-N 3.34Å
523P80.9Confident86.4Confident88 Ų8873.4 Ų73.457%0.57140%0.396SS*.PPolyproline II helixtrans-67.3162.1179.529.3-35.8000112.8T525P523-T525 PolarHBondContact O-N 3.1Å
524M85.6Confident86.4Confident105 Ų10571.4 Ų71.452%0.51740%0.396SS..PPolyproline II helixtrans-63128.5-18075-174.784.400111.4Q514 T526Q514-M524 HydrophobicContact CB-CG 4.26Å; Q514-M524 HydrophobicContact CB-SD 3.74Å; Q514-M524 VanDerWaalsContact CD-SD 3.52Å; Q514-M524 HydrophobicContact CG-CG 4.24Å; Q514-M524 HydrophobicContact CG-SD 3.89Å; M524-T526 PolarHBondContact O-N 2.81Å
525T89.3Confident86.7Confident5 Ų568.5 Ų68.53%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-78.5124.1177.4-63.90000109.4V515 T517 P523 F527 K538V515-T525 PolarHBondContact N-O 2.84Å; V515-T525 PolarHBondContact O-N 2.81Å; T517-T525 PolarHBondContact OG1-OG1 2.93Å; P523-T525 PolarHBondContact O-N 3.1Å; T525-F527 HydrophobicContact CG2-CD2 4.01Å; T525-F527 HydrophobicContact CG2-CE1 4.31Å; T525-F527 HydrophobicContact CG2-CE2 3.48Å; T525-F527 VanDerWaalsContact CG2-CE2 3.48Å; T525-F527 HydrophobicContact CG2-CZ 3.66Å; T525-K538 HydrophobicContact CG2-CB 3.96Å; T525-K538 HydrophobicContact CG2-CD 3.77Å; T525-K538 HydrophobicContact CG2-CG 4.47Å
526T90.1Very high87Confident22 Ų2274.6 Ų74.614%0.13540%0.4CS..EExtended strand (participates in β ladder)trans-93103.5178.6-58.20000109.2Y512 Q514 M524 V528 K538 F539Y512-T526 HydrophobicContact CD2-CG2 4.01Å; Y512-T526 HydrophobicContact CG-CG2 4.5Å; Q514-T526 HydrophobicContact CG-CG2 3.99Å; Q514-T526 WeakPolarHBondContact CG-OG1 3.49Å; Q514-T526 PolarHBondContact NE2-OG1 2.96Å; M524-T526 PolarHBondContact O-N 2.81Å; T526-V528 HydrophobicContact CG2-CG2 4.26Å; T526-K538 CarbonylContact O-C 3.47Å; T526-K538 VanDerWaalsContact O-CA 3.23Å; T526-K538 WeakPolarHBondContact O-CA 3.34Å; T526-F539 PolarHBondContact N-O 3.49Å; T526-F539 PolarHBondContact O-N 3.13Å
527F91.1Very high87.3Confident81 Ų8171.6 Ų71.636%0.35538%0.384SS..EExtended strand (participates in β ladder)trans-82.2140.8173.6-67.1-90.5000110.4Y512 N513 V515 T517 T525 K538Y512-F527 CarbonylContact C-O 3.51Å; Y512-F527 VanDerWaalsContact CA-O 3.23Å; Y512-F527 WeakPolarHBondContact CA-O 3.42Å; N513-F527 PolarHBondContact N-O 2.64Å; N513-F527 PolarHBondContact O-N 3.41Å; V515-F527 HydrophobicContact CB-CD2 4.26Å; V515-F527 HydrophobicContact CB-CE2 4.13Å; V515-F527 HydrophobicContact CG2-CD2 4.28Å; T517-F527 HydrophobicContact CG2-CE2 3.74Å; T517-F527 HydrophobicContact CG2-CZ 3.92Å; T525-F527 HydrophobicContact CG2-CD2 4.01Å; T525-F527 HydrophobicContact CG2-CE1 4.31Å; T525-F527 HydrophobicContact CG2-CE2 3.48Å; T525-F527 VanDerWaalsContact CG2-CE2 3.48Å; T525-F527 HydrophobicContact CG2-CZ 3.66Å; F527-K538 HydrophobicContact CD1-CB 4.18Å; F527-K538 HydrophobicContact CE1-CB 4.37Å
528V92.4Very high87.9Confident4 Ų473.7 Ų73.72%0.02439%0.386CS..EExtended strand (participates in β ladder)trans-134137.4-175.7-1690000110L500 C510 T511 T526 R536 W537 F539L500-V528 HydrophobicContact CB-CG1 4.48Å; L500-V528 HydrophobicContact CD1-CB 4.43Å; L500-V528 HydrophobicContact CD1-CG1 3.74Å; L500-V528 HydrophobicContact CD1-CG2 3.73Å; C510-V528 HydrophobicContact CB-CG1 4.11Å; T511-V528 CarbonylContact O-C 3.6Å; T511-V528 WeakPolarHBondContact O-CA 3.46Å; T526-V528 HydrophobicContact CG2-CG2 4.26Å; V528-R536 CarbonylContact O-C 3.48Å; V528-R536 WeakPolarHBondContact O-CA 3.49Å; V528-W537 HydrophobicContact CB-CD2 3.93Å; V528-W537 HydrophobicContact CB-CE3 4.37Å; V528-W537 HydrophobicContact CB-CG 4.33Å; V528-W537 HydrophobicContact CB-CZ2 4.1Å; V528-W537 HydrophobicContact CG1-CD2 4.21Å; V528-W537 HydrophobicContact CG1-CE3 4.41Å; V528-W537 HydrophobicContact CG1-CH2 3.76Å; V528-W537 HydrophobicContact CG1-CZ2 3.5Å; V528-W537 VanDerWaalsContact CG1-CZ2 3.5Å; V528-W537 HydrophobicContact CG1-CZ3 4.2Å; V528-W537 PolarHBondContact N-O 3.39Å; V528-W537 PolarHBondContact O-N 3.06Å; V528-F539 HydrophobicContact CG2-CD2 3.9Å; V528-F539 HydrophobicContact CG2-CE2 3.89Å
529L92.1Very high88Confident37 Ų3771.1 Ų71.119%0.19438%0.38CS..EExtended strand (participates in β ladder)trans-123.4125.4174.9166.363.9000108.8C510 T511 G534 N535 R536C510-L529 CarbonylContact C-O 3.58Å; C510-L529 VanDerWaalsContact CA-O 3.27Å; C510-L529 WeakPolarHBondContact CA-O 3.49Å; T511-L529 PolarHBondContact N-O 2.99Å; T511-L529 PolarHBondContact O-N 3.5Å; L529-G534 WeakPolarHBondContact CD1-O 3.07Å; L529-N535 WeakPolarHBondContact CA-O 3.43Å; L529-R536 HydrophobicContact CB-CG 4.27Å; L529-R536 HydrophobicContact CD1-CG 3.69Å
530C92.8Very high87.1Confident0 Ų073.3 Ų73.30%039%0.393CS..EExtended strand (participates in β ladder)trans-78.8122.8165.1179.90000110.1C502 C505 E532 C533 G534 N535 W537C502-C530 HydrophobicContact CB-CB 3.71Å; C502-C530 VanDerWaalsContact CB-SG 3.56Å; C502-C530 WeakPolarHBondContact SG-CB 3.29Å; C505-C530 VanDerWaalsContact SG-SG 3.61Å; C530-E532 PolarHBondContact O-N 3.37Å; C530-C533 VanDerWaalsContact SG-SG 3.64Å; C530-G534 WeakPolarHBondContact O-CA 3.15Å; C530-G534 PolarHBondContact O-N 2.85Å; C530-N535 HydrophobicContact CB-CB 4.41Å; C530-N535 PolarHBondContact N-O 3.17Å; C530-W537 HydrophobicContact CB-CH2 4.25Å; C530-W537 HydrophobicContact CB-CZ3 3.9Å
531N90.1Very high87.7Confident67 Ų6772.6 Ų72.636%0.35838%0.377SS..THydrogen-bonded Turntrans-71.2-19.9-177.4-61.1-32.9000112.5N509 T511N509-N531 PolarHBondContact O-N 2.9Å; N509-N531 PolarHBondContact OD1-ND2 3.08Å; T511-N531 PolarHBondContact OG1-ND2 3.23Å; T511-N531 PolarHBondContact OG1-OD1 2.97Å
532E91.5Very high87.9Confident84 Ų8468.3 Ų68.339%0.39335%0.354SS..THydrogen-bonded Turntrans-88.7-26.4-172.7-59-77.4145.600114.1K507 N509 C530K507-E532 HydrophobicContact CB-CG 4Å; K507-E532 HydrophobicContact CD-CB 3.82Å; K507-E532 HydrophobicContact CD-CG 3.51Å; K507-E532 WeakPolarHBondContact CD-OE2 3.09Å; K507-E532 WeakPolarHBondContact CE-OE2 3.47Å; K507-E532 HydrophobicContact CG-CG 4.42Å; K507-E532 IonicContact NZ-OE2 2.65Å; K507-E532 PolarHBondContact NZ-OE2 2.7Å; N509-E532 HydrophobicContact CB-CG 3.9Å; N509-E532 PolarHBondContact ND2-OE1 2.86Å; C530-E532 PolarHBondContact O-N 3.37Å
533C92.4Very high88.4Confident57 Ų5767.9 Ų67.939%0.38535%0.354SS..THydrogen-bonded Turntrans-139.58.1-174.667.70000113.8C502 C505 C530 N535C502-C533 VanDerWaalsContact SG-SG 3.6Å; C505-C533 HydrophobicContact CB-CB 4.18Å; C505-C533 VanDerWaalsContact SG-SG 3.62Å; C530-C533 VanDerWaalsContact SG-SG 3.64Å; C533-N535 PolarHBondContact O-N 3.06Å
534G89.9Confident88.8Confident48 Ų4866.8 Ų66.850%0.49534%0.341SS..  trans67.7-0179.100000115.7L529 C530 R536L529-G534 WeakPolarHBondContact CD1-O 3.07Å; C530-G534 WeakPolarHBondContact O-CA 3.15Å; C530-G534 PolarHBondContact O-N 2.85Å; G534-R536 PolarHBondContact O-N 2.95Å
535N92.6Very high89.1Confident32 Ų3264.4 Ų64.417%0.17133%0.33CS..  trans-63.6128.8-175.8-168.469.2000111.4K504 L529 C530 C533 W537K504-N535 HydrophobicContact CD-CB 4.12Å; K504-N535 VanDerWaalsContact CD-OD1 3.28Å; K504-N535 WeakPolarHBondContact CD-OD1 3.43Å; K504-N535 WeakPolarHBondContact CE-OD1 3.27Å; K504-N535 PolarHBondContact NZ-OD1 3.13Å; L529-N535 WeakPolarHBondContact CA-O 3.43Å; C530-N535 HydrophobicContact CB-CB 4.41Å; C530-N535 PolarHBondContact N-O 3.17Å; C533-N535 PolarHBondContact O-N 3.06Å; N535-W537 HydrophobicContact CB-CZ3 4.49Å; N535-W537 WeakPolarHBondContact O-CZ3 3.17Å
536R92.1Very high89Confident188 Ų18868.3 Ų68.371%0.70935%0.35SS*.EExtended strand (participates in β ladder)trans-113.1141.2177.1-64178.5-169.7-106.60.7111.1V528 L529 G534V528-R536 CarbonylContact O-C 3.48Å; V528-R536 WeakPolarHBondContact O-CA 3.49Å; L529-R536 HydrophobicContact CB-CG 4.27Å; L529-R536 HydrophobicContact CD1-CG 3.69Å; G534-R536 PolarHBondContact O-N 2.95Å
537W92.4Very high89Confident58 Ų5871.6 Ų71.622%0.2237%0.365CS..EExtended strand (participates in β ladder)trans-148.8-179.9172.766.7102.9000110.2L500 C502 V528 C530 N535 F539L500-W537 HydrophobicContact CB-CZ2 4.49Å; C502-W537 HydrophobicContact CB-CH2 3.93Å; C502-W537 HydrophobicContact CB-CZ3 4.29Å; V528-W537 HydrophobicContact CB-CD2 3.93Å; V528-W537 HydrophobicContact CB-CE3 4.37Å; V528-W537 HydrophobicContact CB-CG 4.33Å; V528-W537 HydrophobicContact CB-CZ2 4.1Å; V528-W537 HydrophobicContact CG1-CD2 4.21Å; V528-W537 HydrophobicContact CG1-CE3 4.41Å; V528-W537 HydrophobicContact CG1-CH2 3.76Å; V528-W537 HydrophobicContact CG1-CZ2 3.5Å; V528-W537 VanDerWaalsContact CG1-CZ2 3.5Å; V528-W537 HydrophobicContact CG1-CZ3 4.2Å; V528-W537 PolarHBondContact N-O 3.39Å; V528-W537 PolarHBondContact O-N 3.06Å; C530-W537 HydrophobicContact CB-CH2 4.25Å; C530-W537 HydrophobicContact CB-CZ3 3.9Å; N535-W537 HydrophobicContact CB-CZ3 4.49Å; N535-W537 WeakPolarHBondContact O-CZ3 3.17Å; W537-F539 AromaticContact NE1-CE2 3.46Å; W537-F539 AromaticContact NE1-CZ 3.57Å
538K90.9Very high88.8Confident120 Ų12070.9 Ų70.952%0.52237%0.366SS..EExtended strand (participates in β ladder)trans-138.1153.6175.259.3164.2-175.1156.60111.3T525 T526 F527T525-K538 HydrophobicContact CG2-CB 3.96Å; T525-K538 HydrophobicContact CG2-CD 3.77Å; T525-K538 HydrophobicContact CG2-CG 4.47Å; T526-K538 CarbonylContact O-C 3.47Å; T526-K538 VanDerWaalsContact O-CA 3.23Å; T526-K538 WeakPolarHBondContact O-CA 3.34Å; F527-K538 HydrophobicContact CD1-CB 4.18Å; F527-K538 HydrophobicContact CE1-CB 4.37Å
539F81.6Confident88.5Confident104 Ų10476.5 Ų76.546%0.45639%0.394SS..EExtended strand (participates in β ladder)trans-107143.1160-60.6-80.8000108.9L500 T526 V528 W537L500-F539 HydrophobicContact CD1-CE2 4.21Å; L500-F539 HydrophobicContact CD2-CE2 3.81Å; L500-F539 HydrophobicContact CD2-CZ 4.14Å; T526-F539 PolarHBondContact N-O 3.49Å; T526-F539 PolarHBondContact O-N 3.13Å; V528-F539 HydrophobicContact CG2-CD2 3.9Å; V528-F539 HydrophobicContact CG2-CE2 3.89Å; W537-F539 AromaticContact NE1-CE2 3.46Å; W537-F539 AromaticContact NE1-CZ 3.57Å
540C63.7Low88.2Confident123 Ų12380.1 Ų80.183%0.83141%0.413SS*.  trans-115.90170-69.90000107.7

Retrieved 540 of 540 residues in 397.7 ms (Link to these results)

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