A0A087Y4C9_POEFO Loading...

Elongation factor 2

Catalyzes the GTP-dependent ribosomal translocation step during translation elongation. During this step, the ribosome changes from the pre-translocational (PRE) to the post-translocational (POST) state as the newly formed A-site-bound peptidyl-tRNA and P-site-bound deacylated tRNA move to the P and E sites, respectively. Catalyzes the coordinated movement of the two tRNA molecules, the mRNA and conformational changes in the ribosome.

AlphaFold DB , UniProt , Accession A0A087Y4C9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 858 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
1M39.7Very low73.8Confident221 Ų22182.5 Ų82.5100%1.08945%0.445SS*.  0130.90-96.9179.9-102.300106.1
2V54.1Low75.2Confident67 Ų6776.9 Ų76.941%0.40642%0.415SS..  trans-62.7136.8176.2-171.10000108.1F4 I45V2-F4 HydrophobicContact CG1-CD1 3.6Å; V2-F4 HydrophobicContact CG1-CD2 4.01Å; V2-F4 HydrophobicContact CG1-CE1 3.3Å; V2-F4 HydrophobicContact CG1-CE2 3.74Å; V2-F4 HydrophobicContact CG1-CG 3.96Å; V2-F4 HydrophobicContact CG1-CZ 3.38Å; V2-F4 PolarHBondContact O-N 2.6Å; V2-F4 VanDerWaalsContact O-N 3.15Å; V2-I45 HydrophobicContact CG1-CG1 4.05Å
3N62.9Low76.5Confident127 Ų12771.2 Ų71.268%0.67938%0.383SS*.SBendtrans-77.58-173.1-71.4-17.9000114.1
4F70.4Confident77.6Confident23 Ų2371.3 Ų71.310%0.10138%0.384CS..  trans-143152-174.953.6-92.6000112.7V2 Q8 I9 I45 M454V2-F4 HydrophobicContact CG1-CD1 3.6Å; V2-F4 HydrophobicContact CG1-CD2 4.01Å; V2-F4 HydrophobicContact CG1-CE1 3.3Å; V2-F4 HydrophobicContact CG1-CE2 3.74Å; V2-F4 HydrophobicContact CG1-CG 3.96Å; V2-F4 HydrophobicContact CG1-CZ 3.38Å; V2-F4 PolarHBondContact O-N 2.6Å; V2-F4 VanDerWaalsContact O-N 3.15Å; F4-Q8 VanDerWaalsContact CA-OE1 3.28Å; F4-I9 HydrophobicContact CD2-CD1 3.65Å; F4-I9 HydrophobicContact CD2-CG1 3.6Å; F4-I9 HydrophobicContact CE2-CD1 3.56Å; F4-I9 HydrophobicContact CE2-CG1 3.94Å; F4-I45 HydrophobicContact CE1-CG1 4.36Å; F4-I45 HydrophobicContact CZ-CD1 4.29Å; F4-I45 HydrophobicContact CZ-CG1 4.3Å; F4-M454 HydrophobicContact CE2-CE 3.7Å; F4-M454 HydrophobicContact CZ-CE 3.76Å
5T80.1Confident78.8Confident73 Ų7370.5 Ų70.545%0.44838%0.376SS..  trans-100.3158.3179.959.20000111.6D7 Q8 I9T5-D7 PolarHBondContact O-N 3.1Å; T5-Q8 WeakPolarHBondContact O-CB 3.08Å; T5-Q8 PolarHBondContact O-N 3.22Å; T5-Q8 VanDerWaalsContact O-N 3.11Å; T5-Q8 VanDerWaalsContact OG1-CG 3.3Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.32Å; T5-Q8 PolarHBondContact OG1-N 3.09Å; T5-Q8 PolarHBondContact OG1-OE1 3.16Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 2.93Å; T5-I9 VanDerWaalsContact O-N 3.08Å
6V78.8Confident79.8Confident48 Ų4868.4 Ų68.429%0.29136%0.362SS..Hα-helixtrans-58.7-38.3177.4178.60000111.4Q8 I9 R10 E459V6-Q8 VanDerWaalsContact C-N 3.32Å; V6-Q8 PolarHBondContact O-N 3.16Å; V6-I9 PolarHBondContact O-N 2.93Å; V6-I9 VanDerWaalsContact O-N 3.14Å; V6-R10 PolarHBondContact O-N 2.83Å; V6-E459 HydrophobicContact CG2-CB 4.29Å; V6-E459 HydrophobicContact CG2-CG 4.15Å
7D83.5Confident80.7Confident132 Ų13265.9 Ų65.971%0.70635%0.351SS*.Hα-helixtrans-61.9-39.8176.8-62.4-29.6000112.1T5 R10 A11T5-D7 PolarHBondContact O-N 3.1Å; D7-R10 PolarHBondContact O-N 3.06Å; D7-A11 WeakPolarHBondContact O-CB 3.45Å; D7-A11 PolarHBondContact O-N 2.93Å
8Q82.1Confident81.6Confident96 Ų9662.2 Ų62.245%0.44933%0.332SS..Hα-helixtrans-64.3-44.1173.2-75.2169.1-35.300111.4F4 T5 V6 R10 A11 I12F4-Q8 VanDerWaalsContact CA-OE1 3.28Å; T5-Q8 WeakPolarHBondContact O-CB 3.08Å; T5-Q8 PolarHBondContact O-N 3.22Å; T5-Q8 VanDerWaalsContact O-N 3.11Å; T5-Q8 VanDerWaalsContact OG1-CG 3.3Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.32Å; T5-Q8 PolarHBondContact OG1-N 3.09Å; T5-Q8 PolarHBondContact OG1-OE1 3.16Å; V6-Q8 VanDerWaalsContact C-N 3.32Å; V6-Q8 PolarHBondContact O-N 3.16Å; Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.45Å; Q8-A11 PolarHBondContact O-N 3.48Å; Q8-I12 VanDerWaalsContact O-CG1 3.29Å; Q8-I12 WeakPolarHBondContact O-CG1 3.28Å; Q8-I12 PolarHBondContact O-N 3.14Å
9I82.4Confident82.4Confident12 Ų1258.9 Ų58.96%0.06231%0.314CS..Hα-helixtrans-59.8-48.7176.5-52.6173.2000109.4F4 T5 V6 A11 I12 M13 L99 L452F4-I9 HydrophobicContact CD2-CD1 3.65Å; F4-I9 HydrophobicContact CD2-CG1 3.6Å; F4-I9 HydrophobicContact CE2-CD1 3.56Å; F4-I9 HydrophobicContact CE2-CG1 3.94Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 2.93Å; T5-I9 VanDerWaalsContact O-N 3.08Å; V6-I9 PolarHBondContact O-N 2.93Å; V6-I9 VanDerWaalsContact O-N 3.14Å; I9-A11 VanDerWaalsContact C-N 3.3Å; I9-A11 PolarHBondContact O-N 3.38Å; I9-I12 PolarHBondContact O-N 3.31Å; I9-I12 VanDerWaalsContact O-N 3.07Å; I9-M13 HydrophobicContact CB-CE 4.31Å; I9-M13 HydrophobicContact CG2-CE 3.44Å; I9-M13 VanDerWaalsContact CG2-CE 3.44Å; I9-M13 HydrophobicContact CG2-CG 4.48Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 3.06Å; I9-L99 HydrophobicContact CG2-CD1 4.13Å; I9-L99 HydrophobicContact CG2-CD2 4.33Å; I9-L452 HydrophobicContact CD1-CD1 4.43Å; I9-L452 HydrophobicContact CG2-CD1 4.24Å
10R88.8Confident83.1Confident51 Ų5156.1 Ų56.119%0.19230%0.299CS..Hα-helixtrans-57-42.4178.5-178.960-16672.8-0.6111.8V6 D7 Q8 M13 D14 I461 D463V6-R10 PolarHBondContact O-N 2.83Å; D7-R10 PolarHBondContact O-N 3.06Å; Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.45Å; R10-M13 WeakPolarHBondContact O-CB 3.37Å; R10-M13 PolarHBondContact O-N 3.37Å; R10-D14 IonicContact CZ-OD2 2.65Å; R10-D14 VanDerWaalsContact NH1-CG 3.28Å; R10-D14 IonicContact NH1-OD1 3.95Å; R10-D14 IonicContact NH1-OD2 3.84Å; R10-D14 PolarHBondContact NH1-OD2 3.36Å; R10-D14 IonicContact NH2-OD2 3.22Å; R10-I461 HydrophobicContact CB-CD1 4.04Å; R10-I461 HydrophobicContact CG-CD1 4.24Å; R10-D463 IonicContact CZ-OD1 3.69Å; R10-D463 IonicContact CZ-OD2 2.66Å; R10-D463 PolarHBondContact NE-O 3.43Å; R10-D463 IonicContact NE-OD1 3.49Å; R10-D463 PolarHBondContact NE-OD1 3.47Å; R10-D463 IonicContact NE-OD2 3.09Å; R10-D463 IonicContact NH2-OD1 3.69Å; R10-D463 PolarHBondContact NH2-OD1 3.17Å; R10-D463 IonicContact NH2-OD2 3.46Å; R10-D463 PolarHBondContact NH2-OD2 2.87Å
11A89.6Confident83.7Confident57 Ų5753.4 Ų53.447%0.47129%0.285SS..Hα-helixtrans-65-38176.600000112.5D7 Q8 I9 D14D7-A11 WeakPolarHBondContact O-CB 3.45Å; D7-A11 PolarHBondContact O-N 2.93Å; Q8-A11 PolarHBondContact O-N 3.48Å; I9-A11 VanDerWaalsContact C-N 3.3Å; I9-A11 PolarHBondContact O-N 3.38Å; A11-D14 PolarHBondContact O-N 2.9Å
12I90.1Very high86.4Confident16 Ų1642.9 Ų42.98%0.08223%0.233CC..Hα-helixtrans-73.9-29.5177.6-60-66.8000111.9Q8 I9 D14 K15 Y78 L99Q8-I12 VanDerWaalsContact O-CG1 3.29Å; Q8-I12 WeakPolarHBondContact O-CG1 3.28Å; Q8-I12 PolarHBondContact O-N 3.14Å; I9-I12 PolarHBondContact O-N 3.31Å; I9-I12 VanDerWaalsContact O-N 3.07Å; I12-D14 PolarHBondContact O-N 3.1Å; I12-D14 VanDerWaalsContact O-N 3.11Å; I12-K15 HydrophobicContact CD1-CD 4.23Å; I12-K15 WeakPolarHBondContact O-CB 3.45Å; I12-K15 PolarHBondContact O-N 3.47Å; I12-Y78 HydrophobicContact CD1-CE2 3.88Å; I12-Y78 HydrophobicContact CG1-CD2 4.25Å; I12-Y78 HydrophobicContact CG1-CE2 3.78Å; I12-L99 HydrophobicContact CG2-CB 3.53Å
13M91.8Very high88.3Confident2 Ų239.7 Ų39.71%0.0121%0.214CC..Hα-helixtrans-58.2-24.8173.5-68.9-174.6-151.700113I9 R10 K15 K16 L99 L452 I461 V464 P465 N468I9-M13 HydrophobicContact CB-CE 4.31Å; I9-M13 HydrophobicContact CG2-CE 3.44Å; I9-M13 VanDerWaalsContact CG2-CE 3.44Å; I9-M13 HydrophobicContact CG2-CG 4.48Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 3.06Å; R10-M13 WeakPolarHBondContact O-CB 3.37Å; R10-M13 PolarHBondContact O-N 3.37Å; M13-K15 VanDerWaalsContact C-N 3.29Å; M13-K16 WeakPolarHBondContact O-CE 3.21Å; M13-L99 HydrophobicContact CG-CD2 3.91Å; M13-L452 HydrophobicContact CE-CD1 3.56Å; M13-L452 HydrophobicContact CE-CD2 3.22Å; M13-L452 HydrophobicContact CE-CG 3.88Å; M13-L452 HydrophobicContact SD-CD2 4.35Å; M13-I461 HydrophobicContact CE-CD1 3.66Å; M13-I461 HydrophobicContact SD-CD1 4.19Å; M13-V464 HydrophobicContact SD-CG1 4.21Å; M13-V464 HydrophobicContact SD-CG2 4.28Å; M13-P465 HydrophobicContact CB-CG 4.22Å; M13-N468 VanDerWaalsContact CG-OD1 3.27Å; M13-N468 WeakPolarHBondContact CG-OD1 3.43Å; M13-N468 PolarHBondContact O-ND2 2.94Å
14D92.8Very high89.8Confident73 Ų7333.7 Ų33.739%0.3918%0.182SC..THydrogen-bonded Turntrans-74.4-20.4175.1-81.4-40.7000113.7R10 A11 I12 K16R10-D14 IonicContact CZ-OD2 2.65Å; R10-D14 VanDerWaalsContact NH1-CG 3.28Å; R10-D14 IonicContact NH1-OD1 3.95Å; R10-D14 IonicContact NH1-OD2 3.84Å; R10-D14 PolarHBondContact NH1-OD2 3.36Å; R10-D14 IonicContact NH2-OD2 3.22Å; A11-D14 PolarHBondContact O-N 2.9Å; I12-D14 PolarHBondContact O-N 3.1Å; I12-D14 VanDerWaalsContact O-N 3.11Å; D14-K16 VanDerWaalsContact C-N 3.32Å; D14-K16 WeakPolarHBondContact O-CD 3.41Å; D14-K16 WeakPolarHBondContact O-CE 3.47Å; D14-K16 PolarHBondContact O-N 2.96Å; D14-K16 VanDerWaalsContact O-N 3.15Å; D14-K16 PolarHBondContact O-NZ 3.45Å; D14-K16 IonicContact OD1-NZ 2.64Å; D14-K16 PolarHBondContact OD1-NZ 2.92Å
15K94.9Very high90.7Very high60 Ų6032.7 Ų32.726%0.26118%0.177SC..  trans-89.667.3178.5-61.2-177.4166.3-159.50110.3I12 M13 S17 N18 D94I12-K15 HydrophobicContact CD1-CD 4.23Å; I12-K15 WeakPolarHBondContact O-CB 3.45Å; I12-K15 PolarHBondContact O-N 3.47Å; M13-K15 VanDerWaalsContact C-N 3.29Å; K15-S17 PolarHBondContact O-N 3.36Å; K15-N18 HydrophobicContact CB-CB 4.28Å; K15-N18 WeakPolarHBondContact O-CA 3.45Å; K15-N18 PolarHBondContact O-N 3.03Å; K15-D94 WeakPolarHBondContact CD-O 3.16Å; K15-D94 PolarHBondContact NZ-O 3.06Å; K15-D94 VanDerWaalsContact NZ-O 3.1Å
16K94.8Very high91.2Very high36 Ų3629.6 Ų29.616%0.15716%0.159CC..G310 helixtrans-54.4-30.6-173.9-6297.6-157.2171.50114.1M13 D14 N18 I19 P361 V362 S390 C466M13-K16 WeakPolarHBondContact O-CE 3.21Å; D14-K16 VanDerWaalsContact C-N 3.32Å; D14-K16 WeakPolarHBondContact O-CD 3.41Å; D14-K16 WeakPolarHBondContact O-CE 3.47Å; D14-K16 PolarHBondContact O-N 2.96Å; D14-K16 VanDerWaalsContact O-N 3.15Å; D14-K16 PolarHBondContact O-NZ 3.45Å; D14-K16 IonicContact OD1-NZ 2.64Å; D14-K16 PolarHBondContact OD1-NZ 2.92Å; K16-N18 PolarHBondContact O-N 2.82Å; K16-I19 HydrophobicContact CG-CD1 4.48Å; K16-I19 PolarHBondContact O-N 3.41Å; K16-P361 WeakPolarHBondContact O-CD 3.43Å; K16-V362 HydrophobicContact CB-CG2 3.62Å; K16-S390 WeakPolarHBondContact CE-OG 3.49Å; K16-S390 PolarHBondContact NZ-OG 3.13Å; K16-C466 WeakPolarHBondContact CG-O 3.4Å
17S95.8Very high91.5Very high26 Ų2628 Ų2818%0.18215%0.149CC..G310 helixtrans-65.1-23.8174.4-64.10000114.3K15 R20 S92 S360K15-S17 PolarHBondContact O-N 3.36Å; S17-R20 PolarHBondContact O-NH1 3.5Å; S17-S92 WeakPolarHBondContact CB-O 3.34Å; S17-S92 PolarHBondContact OG-OG 2.83Å; S17-S92 VanDerWaalsContact OG-OG 3.09Å; S17-S360 VanDerWaalsContact O-CB 3.26Å; S17-S360 WeakPolarHBondContact O-CB 3.49Å
18N95.8Very high91.4Very high0 Ų022.9 Ų22.90%012%0.122CC..G310 helixtrans-102.88.1-179.4-72.818000113.2K15 K16 K93 D94 G95 G97 F98 L99K15-N18 HydrophobicContact CB-CB 4.28Å; K15-N18 WeakPolarHBondContact O-CA 3.45Å; K15-N18 PolarHBondContact O-N 3.03Å; K16-N18 PolarHBondContact O-N 2.82Å; N18-K93 VanDerWaalsContact OD1-CA 3.27Å; N18-K93 WeakPolarHBondContact OD1-CA 3.33Å; N18-D94 PolarHBondContact ND2-O 3.38Å; N18-D94 PolarHBondContact OD1-N 3.34Å; N18-G95 PolarHBondContact ND2-O 3.43Å; N18-G97 WeakPolarHBondContact CB-O 3.1Å; N18-G97 PolarHBondContact ND2-O 3.15Å; N18-F98 HydrophobicContact CB-CD1 3.82Å; N18-F98 HydrophobicContact CB-CE1 3.98Å; N18-F98 HydrophobicContact CB-CG 4.31Å; N18-F98 WeakPolarHBondContact O-CA 3.31Å; N18-F98 VanDerWaalsContact O-CD1 3.3Å; N18-F98 WeakPolarHBondContact O-CD1 3.38Å; N18-L99 PolarHBondContact O-N 3.42Å
19I96.5Very high91.4Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-86.7141.6172.4-59.7171.6000109.4K16 L99 S360 P361 N468K16-I19 HydrophobicContact CG-CD1 4.48Å; K16-I19 PolarHBondContact O-N 3.41Å; I19-L99 CarbonylContact C-O 3.52Å; I19-L99 VanDerWaalsContact CA-O 3.25Å; I19-L99 WeakPolarHBondContact CA-O 3.34Å; I19-L99 HydrophobicContact CG1-CB 4.46Å; I19-S360 WeakPolarHBondContact O-CA 3.38Å; I19-P361 HydrophobicContact CB-CG 3.98Å; I19-P361 HydrophobicContact CG2-CG 3.96Å; I19-P361 WeakPolarHBondContact O-CD 3.44Å; I19-N468 WeakPolarHBondContact CD1-OD1 3.27Å
20R97Very high91.8Very high1 Ų122.7 Ų22.70%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-127.4112.1167.4-61.3-62.9179.2-89-0.5109.1S17 L99 I100 N101 I354 T355 L358 P359S17-R20 PolarHBondContact O-NH1 3.5Å; R20-L99 PolarHBondContact N-O 3.41Å; R20-I100 HydrophobicContact CB-CG1 4.25Å; R20-I100 HydrophobicContact CB-CG2 4.3Å; R20-I100 CarbonylContact O-C 2.97Å; R20-I100 WeakPolarHBondContact O-CA 3.47Å; R20-N101 PolarHBondContact O-N 3.2Å; R20-I354 HydrophobicContact CB-CG2 4.18Å; R20-I354 HydrophobicContact CG-CG2 4.24Å; R20-T355 PolarHBondContact NE-O 2.84Å; R20-T355 PolarHBondContact NH2-O 2.6Å; R20-L358 WeakPolarHBondContact CD-O 3.36Å; R20-L358 PolarHBondContact NE-O 3.07Å; R20-P359 WeakPolarHBondContact CD-O 3.43Å
21N96.9Very high91.7Very high1 Ų121 Ų211%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-93120.6170.6-57.3-57000108.1N101 D123 G124 P361 R415 G467 I469N21-N101 PolarHBondContact OD1-ND2 2.85Å; N21-D123 PolarHBondContact ND2-OD2 3.26Å; N21-D123 PolarHBondContact O-N 3.42Å; N21-G124 PolarHBondContact O-N 2.64Å; N21-G124 VanDerWaalsContact O-N 3.1Å; N21-P361 WeakPolarHBondContact ND2-CG 3.43Å; N21-R415 PolarHBondContact ND2-NH2 3.25Å; N21-G467 PolarHBondContact ND2-O 3.3Å; N21-I469 HydrophobicContact CB-CD1 4.18Å
22M95.7Very high91.6Very high0 Ų018.9 Ų18.90%010%0.103CC..EExtended strand (participates in β ladder)trans-147.9154.8-175.166.190.755.700113.5I100 N101 L102 I103 G124 L126 I354 L358M22-I100 HydrophobicContact CG-CG2 4.02Å; M22-N101 PolarHBondContact N-O 3.48Å; M22-L102 CarbonylContact O-C 3.43Å; M22-L102 WeakPolarHBondContact O-CA 3.38Å; M22-L102 HydrophobicContact SD-CB 4.28Å; M22-L102 HydrophobicContact SD-CD1 4.04Å; M22-L102 HydrophobicContact SD-CG 4.01Å; M22-I103 PolarHBondContact O-N 2.81Å; M22-G124 WeakPolarHBondContact CA-O 3.48Å; M22-G124 VanDerWaalsContact CB-O 3.31Å; M22-G124 WeakPolarHBondContact CB-O 3.37Å; M22-L126 HydrophobicContact CE-CB 3.33Å; M22-I354 HydrophobicContact CE-CD1 3.98Å; M22-I354 HydrophobicContact CE-CG1 4.19Å; M22-I354 HydrophobicContact SD-CD1 4.38Å; M22-L358 HydrophobicContact CB-CD1 3.76Å; M22-L358 HydrophobicContact CE-CD1 4.08Å; M22-L358 HydrophobicContact CG-CD1 4.23Å
23S94.4Very high91.3Very high0 Ų018.8 Ų18.80%010%0.103CC..EExtended strand (participates in β ladder)trans-118.5161.7172.251.90000111.1I103 L119 G124 A125 L126S23-I103 VanDerWaalsContact CA-O 3.23Å; S23-I103 WeakPolarHBondContact CA-O 3.47Å; S23-I103 WeakPolarHBondContact CB-O 3.47Å; S23-L119 WeakPolarHBondContact OG-CD2 3.5Å; S23-G124 PolarHBondContact N-O 3.29Å; S23-A125 CarbonylContact O-C 3.55Å; S23-A125 WeakPolarHBondContact O-CA 3.36Å; S23-L126 PolarHBondContact O-N 3.4Å
24V92.8Very high91Very high1 Ų119.9 Ų19.91%0.00611%0.11CC..EExtended strand (participates in β ladder)trans-106.4118.5173.7-166.30000109.4K32 T36 L102 I103 S105 L126 V128V24-K32 HydrophobicContact CB-CD 4.36Å; V24-K32 HydrophobicContact CB-CG 4Å; V24-K32 HydrophobicContact CG1-CD 4.36Å; V24-K32 HydrophobicContact CG1-CG 3.59Å; V24-T36 HydrophobicContact CB-CG2 4.37Å; V24-T36 HydrophobicContact CG2-CG2 3.8Å; V24-L102 HydrophobicContact CG2-CD1 4.04Å; V24-L102 HydrophobicContact CG2-CD2 4.46Å; V24-L102 HydrophobicContact CG2-CG 4.23Å; V24-I103 PolarHBondContact N-O 3.27Å; V24-S105 PolarHBondContact O-OG 3.49Å; V24-L126 CarbonylContact C-O 3.48Å; V24-L126 WeakPolarHBondContact CA-O 3.41Å; V24-L126 HydrophobicContact CG1-CB 4.4Å; V24-L126 HydrophobicContact CG1-CD2 4.25Å; V24-L126 HydrophobicContact CG1-CG 4.34Å; V24-L126 WeakPolarHBondContact CG1-O 3.27Å; V24-L126 HydrophobicContact CG2-CD2 4.46Å; V24-V128 HydrophobicContact CG1-CG2 3.63Å
25I91.1Very high90.8Very high2 Ų216.5 Ų16.51%0.019%0.092CC..EExtended strand (participates in β ladder)trans-101125.8179.4-61.4171.5000107.9L119 A125 L126 V127 V128 V142 A146I25-L119 HydrophobicContact CD1-CD2 4.1Å; I25-L119 HydrophobicContact CG1-CD2 4.45Å; I25-A125 HydrophobicContact CD1-CB 3.46Å; I25-A125 VanDerWaalsContact CD1-CB 3.46Å; I25-A125 HydrophobicContact CG1-CB 4.07Å; I25-L126 PolarHBondContact N-O 2.75Å; I25-V127 CarbonylContact O-C 3.51Å; I25-V127 WeakPolarHBondContact O-CA 3.47Å; I25-V128 PolarHBondContact O-N 3.28Å; I25-V142 HydrophobicContact CB-CG1 4.15Å; I25-V142 HydrophobicContact CD1-CG1 3.83Å; I25-V142 HydrophobicContact CG1-CG1 3.67Å; I25-V142 HydrophobicContact CG2-CB 3.68Å; I25-V142 HydrophobicContact CG2-CG1 3.48Å; I25-V142 VanDerWaalsContact CG2-CG1 3.48Å; I25-A146 HydrophobicContact CD1-CB 3.85Å
26A89.1Confident90.4Very high8 Ų813.6 Ų13.67%0.0668%0.08CC..EExtended strand (participates in β ladder)trans-157.1147.217600000110H30 K32 G107 V128A26-H30 HydrophobicContact CB-CB 4.15Å; A26-K32 HydrophobicContact CB-CB 3.65Å; A26-K32 HydrophobicContact CB-CD 4.14Å; A26-K32 HydrophobicContact CB-CG 3.99Å; A26-G107 WeakPolarHBondContact O-CA 3.41Å; A26-V128 HydrophobicContact CB-CB 3.82Å; A26-V128 HydrophobicContact CB-CG2 4.42Å
27H84.9Confident89.9Confident15 Ų1511.9 Ų11.97%0.0697%0.072CC..  trans-67.3158.2163179.3-80.5000110.7D29 H30 C136 Q138 Q811H27-D29 PolarHBondContact O-N 2.98Å; H27-H30 AromaticContact CG-NE2 3.84Å; H27-H30 AromaticContact ND1-CD2 3.76Å; H27-H30 AromaticContact ND1-NE2 3.69Å; H27-H30 WeakPolarHBondContact O-CB 3.41Å; H27-H30 PolarHBondContact O-N 2.82Å; H27-H30 VanDerWaalsContact O-N 3.15Å; H27-C136 HydrophobicContact CB-CB 4.31Å; H27-C136 WeakPolarHBondContact CD2-CB 3.37Å; H27-Q138 VanDerWaalsContact CA-OE1 3.27Å; H27-Q138 HydrophobicContact CB-CB 4.06Å; H27-Q138 PolarHBondContact CD2-OE1 3.27Å; H27-Q138 VanDerWaalsContact CG-OE1 3.28Å; H27-Q811 PolarHBondContact CD2-OE1 3.38Å; H27-Q811 VanDerWaalsContact CD2-OE1 3.29Å; H27-Q811 PolarHBondContact CE1-NE2 2.8Å; H27-Q811 PolarHBondContact NE2-NE2 3.22Å; H27-Q811 PolarHBondContact NE2-OE1 3.34Å
28V81.7Confident89.4Confident23 Ų2311.1 Ų11.114%0.1397%0.067CC..THydrogen-bonded Turntrans-50.2140.6173.2-178.30000110.4H30 I68 H108V28-H30 PolarHBondContact O-CD2 2.94Å; V28-H30 PolarHBondContact O-N 3.35Å; V28-I68 HydrophobicContact CG1-CG2 4.25Å; V28-H108 HydrophobicContact CG2-CB 3.93Å
29D83.4Confident89Confident101 Ų10111.1 Ų11.154%0.547%0.067SC..THydrogen-bonded Turntrans61.45.9-178.1-60.7-27.9000117H27 G31 K159H27-D29 PolarHBondContact O-N 2.98Å; D29-G31 PolarHBondContact O-N 2.62Å; D29-K159 WeakPolarHBondContact O-CE 3.35Å; D29-K159 PolarHBondContact O-NZ 3.35Å
30H89.6Confident88.4Confident3 Ų311.2 Ų11.21%0.0147%0.067CC..SBendtrans-71.52.6173.4-76.7-155.3000113.8A26 H27 V28 V128 D130 G134 N158A26-H30 HydrophobicContact CB-CB 4.15Å; H27-H30 AromaticContact CG-NE2 3.84Å; H27-H30 AromaticContact ND1-CD2 3.76Å; H27-H30 AromaticContact ND1-NE2 3.69Å; H27-H30 WeakPolarHBondContact O-CB 3.41Å; H27-H30 PolarHBondContact O-N 2.82Å; H27-H30 VanDerWaalsContact O-N 3.15Å; V28-H30 PolarHBondContact O-CD2 2.94Å; V28-H30 PolarHBondContact O-N 3.35Å; H30-V128 HydrophobicContact CB-CG1 4.29Å; H30-V128 PolarHBondContact ND1-O 2.84Å; H30-V128 VanDerWaalsContact ND1-O 3.14Å; H30-V128 WeakPolarHBondContact O-CG1 3.42Å; H30-D130 PolarHBondContact ND1-N 3.44Å; H30-G134 PolarHBondContact CE1-O 3.23Å; H30-N158 PolarHBondContact O-ND2 2.96Å
31G87.6Confident87.6Confident16 Ų1611.9 Ų11.917%0.1657%0.072CC..SBendtrans8227.8174.900000114.6D29 T34 L35D29-G31 PolarHBondContact O-N 2.62Å; G31-T34 PolarHBondContact O-N 3.45Å; G31-L35 PolarHBondContact O-N 3.07Å; G31-L35 VanDerWaalsContact O-N 3.13Å
32K87.9Confident86.8Confident13 Ų1316 Ų166%0.0579%0.09CC..Hα-helixtrans-55.3-56.6177.2-173.7-164.866.8-179.20112.9V24 A26 T34 L35 T36 T69 D104 S105V24-K32 HydrophobicContact CB-CD 4.36Å; V24-K32 HydrophobicContact CB-CG 4Å; V24-K32 HydrophobicContact CG1-CD 4.36Å; V24-K32 HydrophobicContact CG1-CG 3.59Å; A26-K32 HydrophobicContact CB-CB 3.65Å; A26-K32 HydrophobicContact CB-CD 4.14Å; A26-K32 HydrophobicContact CB-CG 3.99Å; K32-T34 PolarHBondContact O-N 2.83Å; K32-L35 PolarHBondContact O-N 3.37Å; K32-T36 PolarHBondContact O-N 2.99Å; K32-T36 PolarHBondContact O-OG1 3.12Å; K32-T69 WeakPolarHBondContact CE-OG1 3.17Å; K32-T69 PolarHBondContact NZ-OG1 2.94Å; K32-D104 WeakPolarHBondContact CD-OD1 3.22Å; K32-D104 WeakPolarHBondContact CE-OD1 3.38Å; K32-D104 IonicContact NZ-OD1 3.15Å; K32-D104 PolarHBondContact NZ-OD1 3.01Å; K32-S105 PolarHBondContact NZ-O 3.18Å
33S83.1Confident85.9Confident13 Ų1316.3 Ų16.39%0.0919%0.092CC..Hα-helixtrans-60.7-29.3-178.7-480000112.6T36 D37 T69S33-T36 VanDerWaalsContact CA-OG1 3.26Å; S33-T36 WeakPolarHBondContact CA-OG1 3.49Å; S33-T36 PolarHBondContact O-OG1 3.32Å; S33-D37 WeakPolarHBondContact O-CB 3.39Å; S33-D37 PolarHBondContact O-N 3.1Å; S33-D37 VanDerWaalsContact O-N 3.1Å; S33-T69 PolarHBondContact OG-OG1 3.35Å
34T85.7Confident84.7Confident26 Ų2617 Ų1716%0.1610%0.1CC..Hα-helixtrans-73.6-36.3177.1-41.80000112.1G31 K32 S38 G217G31-T34 PolarHBondContact O-N 3.45Å; K32-T34 PolarHBondContact O-N 2.83Å; T34-S38 PolarHBondContact O-N 3.19Å; T34-S38 PolarHBondContact O-OG 3.1Å; T34-G217 VanDerWaalsContact CG2-C 3.4Å; T34-G217 VanDerWaalsContact CG2-O 3.3Å; T34-G217 WeakPolarHBondContact CG2-O 3.28Å
35L87.8Confident83.3Confident1 Ų118.5 Ų18.51%0.00511%0.107CC..Hα-helixtrans-73.7-40.1174.8-71.4172.6000111.8G31 K32 D37 S38 L39 V128 M156 N158 L350G31-L35 PolarHBondContact O-N 3.07Å; G31-L35 VanDerWaalsContact O-N 3.13Å; K32-L35 PolarHBondContact O-N 3.37Å; L35-D37 VanDerWaalsContact C-N 3.33Å; L35-D37 PolarHBondContact O-N 3Å; L35-S38 WeakPolarHBondContact O-CB 3.47Å; L35-S38 PolarHBondContact O-N 3.34Å; L35-S38 VanDerWaalsContact O-N 3.09Å; L35-L39 PolarHBondContact O-N 3.12Å; L35-L39 VanDerWaalsContact O-N 3.14Å; L35-V128 HydrophobicContact CD1-CB 4.32Å; L35-V128 HydrophobicContact CD1-CG1 3.54Å; L35-V128 HydrophobicContact CD1-CG2 3.75Å; L35-M156 HydrophobicContact CD1-CG 3.9Å; L35-M156 HydrophobicContact CD2-CE 4.4Å; L35-N158 HydrophobicContact CD1-CB 4.24Å; L35-L350 HydrophobicContact CD2-CD1 4.21Å
36T87.4Confident81.7Confident0 Ų019.7 Ų19.70%011%0.113CC..Hα-helixtrans-61.5-42.8175.154.50000110.8V24 K32 S33 S38 L39 V40 T57 L102V24-T36 HydrophobicContact CB-CG2 4.37Å; V24-T36 HydrophobicContact CG2-CG2 3.8Å; K32-T36 PolarHBondContact O-N 2.99Å; K32-T36 PolarHBondContact O-OG1 3.12Å; S33-T36 VanDerWaalsContact CA-OG1 3.26Å; S33-T36 WeakPolarHBondContact CA-OG1 3.49Å; S33-T36 PolarHBondContact O-OG1 3.32Å; T36-S38 VanDerWaalsContact C-N 3.27Å; T36-S38 PolarHBondContact O-N 3.06Å; T36-L39 WeakPolarHBondContact O-CB 3.4Å; T36-L39 PolarHBondContact O-N 2.94Å; T36-L39 VanDerWaalsContact O-N 3.09Å; T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.32Å; T36-V40 PolarHBondContact O-N 2.65Å; T36-T57 PolarHBondContact OG1-OG1 2.82Å; T36-L102 HydrophobicContact CG2-CD1 4.35Å; T36-L102 HydrophobicContact CG2-CD2 4.12Å
37D83.6Confident80.2Confident0 Ų022.2 Ų22.20%014%0.135CC..Hα-helixtrans-56.7-39.4171.7-97.517000112.9S33 L35 L39 V40 S41 I46 G52 T54 R55 F56S33-D37 WeakPolarHBondContact O-CB 3.39Å; S33-D37 PolarHBondContact O-N 3.1Å; S33-D37 VanDerWaalsContact O-N 3.1Å; L35-D37 VanDerWaalsContact C-N 3.33Å; L35-D37 PolarHBondContact O-N 3Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.19Å; D37-V40 PolarHBondContact O-N 3.31Å; D37-S41 WeakPolarHBondContact O-CB 3.41Å; D37-S41 PolarHBondContact O-N 3.06Å; D37-I46 HydrophobicContact CB-CD1 4.41Å; D37-G52 PolarHBondContact OD2-N 3.06Å; D37-G52 VanDerWaalsContact OD2-N 3.11Å; D37-T54 PolarHBondContact OD2-OG1 2.93Å; D37-T54 VanDerWaalsContact OD2-OG1 3.09Å; D37-R55 WeakPolarHBondContact OD1-CA 3.5Å; D37-R55 WeakPolarHBondContact OD2-CA 3.2Å; D37-R55 PolarHBondContact OD2-N 2.66Å; D37-F56 PolarHBondContact OD1-N 2.91Å
38S85.2Confident78.9Confident10 Ų1025.2 Ų25.27%0.0716%0.157CC..Hα-helixtrans-64.6-34.9178.1-62.80000112T34 L35 T36 K42T34-S38 PolarHBondContact O-N 3.19Å; T34-S38 PolarHBondContact O-OG 3.1Å; L35-S38 WeakPolarHBondContact O-CB 3.47Å; L35-S38 PolarHBondContact O-N 3.34Å; L35-S38 VanDerWaalsContact O-N 3.09Å; T36-S38 VanDerWaalsContact C-N 3.27Å; T36-S38 PolarHBondContact O-N 3.06Å; S38-K42 PolarHBondContact O-N 3.21Å
39L86.9Confident77.6Confident0 Ų028 Ų280%018%0.182CC..Hα-helixtrans-69.9-47.2173.5-68170.4000111.8L35 T36 D37 S41 K42 A43 L77 L102 L350 L351L35-L39 PolarHBondContact O-N 3.12Å; L35-L39 VanDerWaalsContact O-N 3.14Å; T36-L39 WeakPolarHBondContact O-CB 3.4Å; T36-L39 PolarHBondContact O-N 2.94Å; T36-L39 VanDerWaalsContact O-N 3.09Å; D37-L39 VanDerWaalsContact C-N 3.29Å; D37-L39 PolarHBondContact O-N 3.19Å; L39-S41 PolarHBondContact O-N 3.35Å; L39-K42 PolarHBondContact O-N 3.07Å; L39-A43 PolarHBondContact O-N 3.48Å; L39-L77 HydrophobicContact CB-CD1 4.04Å; L39-L102 HydrophobicContact CD1-CD1 3.53Å; L39-L350 HydrophobicContact CD2-CB 3.69Å; L39-L350 HydrophobicContact CD2-CD1 4.08Å; L39-L350 HydrophobicContact CG-CD1 4.19Å; L39-L351 HydrophobicContact CD2-CD2 3.91Å; L39-L351 HydrophobicContact CD2-CG 3.79Å
40V83.8Confident76.5Confident1 Ų131.4 Ų31.41%0.00619%0.187CC..Hα-helixtrans-60.9-37.3178.71770000111T36 D37 A43 G44 I45 I46 F56 I75 L77T36-V40 VanDerWaalsContact O-CG2 3.3Å; T36-V40 WeakPolarHBondContact O-CG2 3.32Å; T36-V40 PolarHBondContact O-N 2.65Å; D37-V40 PolarHBondContact O-N 3.31Å; V40-A43 PolarHBondContact O-N 3.44Å; V40-G44 PolarHBondContact O-N 3.09Å; V40-I45 HydrophobicContact CG1-CB 3.64Å; V40-I45 HydrophobicContact CG1-CD1 4.28Å; V40-I45 HydrophobicContact CG1-CG2 3.75Å; V40-I45 PolarHBondContact O-N 3.39Å; V40-I45 VanDerWaalsContact O-N 3.15Å; V40-I46 HydrophobicContact CB-CD1 4.32Å; V40-I46 HydrophobicContact CB-CG1 4.38Å; V40-I46 HydrophobicContact CG1-CB 4.43Å; V40-I46 HydrophobicContact CG1-CD1 4.17Å; V40-I46 HydrophobicContact CG1-CG1 3.96Å; V40-I46 HydrophobicContact CG1-CG2 3.85Å; V40-F56 HydrophobicContact CG1-CD1 4.18Å; V40-F56 HydrophobicContact CG1-CG 4.44Å; V40-I75 HydrophobicContact CG2-CD1 3.76Å; V40-I75 HydrophobicContact CG2-CG2 4.45Å; V40-L77 HydrophobicContact CG2-CD2 4.34Å
41S81.6Confident75Confident16 Ų1631.4 Ų31.411%0.11219%0.188CC..Hα-helixtrans-63.4-49.3173.7171.40000112.6D37 L39 A43 G44 I46 S48D37-S41 WeakPolarHBondContact O-CB 3.41Å; D37-S41 PolarHBondContact O-N 3.06Å; L39-S41 PolarHBondContact O-N 3.35Å; S41-A43 VanDerWaalsContact C-N 3.25Å; S41-A43 PolarHBondContact O-N 3.48Å; S41-G44 PolarHBondContact O-N 3.38Å; S41-I46 VanDerWaalsContact CA-CG1 3.48Å; S41-S48 VanDerWaalsContact OG-CA 3.23Å; S41-S48 WeakPolarHBondContact OG-CA 3.23Å
42K80.4Confident73.4Confident87 Ų8731.3 Ų31.338%0.37819%0.187SC..Hα-helixtrans-65.1-30.8179.3-173.466.5171.7-163.90112S38 L39 G44 E348 L351S38-K42 PolarHBondContact O-N 3.21Å; L39-K42 PolarHBondContact O-N 3.07Å; K42-G44 PolarHBondContact O-N 2.83Å; K42-E348 IonicContact NZ-OE2 3.44Å; K42-E348 PolarHBondContact NZ-OE2 3.44Å; K42-L351 HydrophobicContact CB-CD1 4.19Å; K42-L351 HydrophobicContact CG-CD1 3.73Å
43A75.5Confident72.2Confident6 Ų636.9 Ų36.95%0.0521%0.213CC..THydrogen-bonded Turntrans-71.5-3.2172.300000114.1L39 V40 S41 I45 L77L39-A43 PolarHBondContact O-N 3.48Å; V40-A43 PolarHBondContact O-N 3.44Å; S41-A43 VanDerWaalsContact C-N 3.25Å; S41-A43 PolarHBondContact O-N 3.48Å; A43-I45 VanDerWaalsContact C-N 3.29Å; A43-I45 HydrophobicContact CB-CD1 4.27Å; A43-I45 HydrophobicContact CB-CG1 4.31Å; A43-I45 PolarHBondContact O-N 2.89Å; A43-L77 HydrophobicContact CB-CB 4.1Å; A43-L77 HydrophobicContact CB-CD2 3.52Å; A43-L77 HydrophobicContact CB-CG 4.38Å
44G69.7Low71.2Confident15 Ų1538.7 Ų38.716%0.15522%0.224CC..THydrogen-bonded Turntrans76.911.7178.300000114.4V40 S41 K42V40-G44 PolarHBondContact O-N 3.09Å; S41-G44 PolarHBondContact O-N 3.38Å; K42-G44 PolarHBondContact O-N 2.83Å
45I63.7Low70.3Confident33 Ų3340.4 Ų40.417%0.16923%0.227CC..SBendtrans-76.9-39.2178.9-61.7171000110.4V2 F4 V40 A43 F56 I75 L77 M454V2-I45 HydrophobicContact CG1-CG1 4.05Å; F4-I45 HydrophobicContact CE1-CG1 4.36Å; F4-I45 HydrophobicContact CZ-CD1 4.29Å; F4-I45 HydrophobicContact CZ-CG1 4.3Å; V40-I45 HydrophobicContact CG1-CB 3.64Å; V40-I45 HydrophobicContact CG1-CD1 4.28Å; V40-I45 HydrophobicContact CG1-CG2 3.75Å; V40-I45 PolarHBondContact O-N 3.39Å; V40-I45 VanDerWaalsContact O-N 3.15Å; A43-I45 VanDerWaalsContact C-N 3.29Å; A43-I45 HydrophobicContact CB-CD1 4.27Å; A43-I45 HydrophobicContact CB-CG1 4.31Å; A43-I45 PolarHBondContact O-N 2.89Å; I45-F56 HydrophobicContact CG2-CE1 4.41Å; I45-F56 HydrophobicContact CG2-CZ 4.38Å; I45-I75 HydrophobicContact CD1-CG2 3.88Å; I45-L77 HydrophobicContact CD1-CD2 3.83Å; I45-M454 HydrophobicContact CD1-CE 4.36Å
46I57.8Low69.3Low26 Ų2641.9 Ų41.913%0.13323%0.234CC..SBendtrans-121.3157.7176.566.6175000111.4D37 V40 S41 A51 F56D37-I46 HydrophobicContact CB-CD1 4.41Å; V40-I46 HydrophobicContact CB-CD1 4.32Å; V40-I46 HydrophobicContact CB-CG1 4.38Å; V40-I46 HydrophobicContact CG1-CB 4.43Å; V40-I46 HydrophobicContact CG1-CD1 4.17Å; V40-I46 HydrophobicContact CG1-CG1 3.96Å; V40-I46 HydrophobicContact CG1-CG2 3.85Å; S41-I46 VanDerWaalsContact CA-CG1 3.48Å; I46-A51 HydrophobicContact CD1-CB 4.34Å; I46-F56 HydrophobicContact CG2-CB 4.35Å; I46-F56 HydrophobicContact CG2-CD2 3.79Å; I46-F56 HydrophobicContact CG2-CE2 4.3Å; I46-F56 HydrophobicContact CG2-CG 4.09Å
47A57.2Low68.6Low62 Ų6241.9 Ų41.951%0.51223%0.234SC..  trans-70.6134175.600000111.5A49 R50 A51A47-A49 PolarHBondContact O-N 3.15Å; A47-R50 PolarHBondContact O-N 2.98Å; A47-A51 PolarHBondContact O-N 2.81Å
48S58.3Low68.3Low77 Ų7741.9 Ų41.954%0.53823%0.234SC..G310 helixtrans-58.2-31.5-178-176.50000114.8S41 R50 A51 R341S41-S48 VanDerWaalsContact OG-CA 3.23Å; S41-S48 WeakPolarHBondContact OG-CA 3.23Å; S48-R50 PolarHBondContact O-N 2.9Å; S48-A51 WeakPolarHBondContact O-CB 3.08Å; S48-A51 PolarHBondContact O-N 2.88Å; S48-R341 PolarHBondContact O-NH1 3.34Å
49A53.5Low67.8Low81 Ų8143.8 Ų43.867%0.66925%0.245SC*.G310 helixtrans-63.3-27.9175.400000113.3A47A47-A49 PolarHBondContact O-N 3.15Å
50R60.2Low67.3Low173 Ų17345.7 Ų45.765%0.65325%0.252SS*.G310 helixtrans-97.4-6.9-177.8-65.8-170.4-178.9-1790.4113.8A47 S48 G52 E53 T54A47-R50 PolarHBondContact O-N 2.98Å; S48-R50 PolarHBondContact O-N 2.9Å; R50-G52 PolarHBondContact O-N 3.24Å; R50-E53 PolarHBondContact O-N 2.94Å; R50-T54 HydrophobicContact CB-CG2 3.73Å; R50-T54 PolarHBondContact O-N 3.49Å; R50-T54 PolarHBondContact O-OG1 3.29Å
51A57.3Low66.9Low4 Ų453 Ų533%0.03328%0.284CS..THydrogen-bonded Turntrans-63.5125.2-178.600000111.6I46 A47 S48 R341I46-A51 HydrophobicContact CD1-CB 4.34Å; A47-A51 PolarHBondContact O-N 2.81Å; S48-A51 WeakPolarHBondContact O-CB 3.08Å; S48-A51 PolarHBondContact O-N 2.88Å; A51-R341 PolarHBondContact O-NH2 2.95Å
52G55.8Low66.7Low13 Ų1352.8 Ų52.813%0.13428%0.282CS..THydrogen-bonded Turntrans96.7-16.8-179.500000114D37 R50D37-G52 PolarHBondContact OD2-N 3.06Å; D37-G52 VanDerWaalsContact OD2-N 3.11Å; R50-G52 PolarHBondContact O-N 3.24Å
53E62.4Low66.6Low130 Ų13048.7 Ų48.761%0.60726%0.264SS*.THydrogen-bonded Turntrans-101.9-34.5176.5-70.2167.8-153.500111.4R50 K337R50-E53 PolarHBondContact O-N 2.94Å; E53-K337 IonicContact OE1-NZ 3Å; E53-K337 PolarHBondContact OE1-NZ 2.8Å
54T60.4Low66.6Low52 Ų5251.8 Ų51.832%0.31928%0.277SS..SBendtrans-73.4-32.3-176.838.10000115.3D37 R50D37-T54 PolarHBondContact OD2-OG1 2.93Å; D37-T54 VanDerWaalsContact OD2-OG1 3.09Å; R50-T54 HydrophobicContact CB-CG2 3.73Å; R50-T54 PolarHBondContact O-N 3.49Å; R50-T54 PolarHBondContact O-OG1 3.29Å
55R67.3Low67Low61 Ų6157.1 Ų57.123%0.2330%0.298CS..  trans46.164.5-174.6-68.1178.6-98.1154.5-12.9111.4D37 T57 D58 Q64 C67D37-R55 WeakPolarHBondContact OD1-CA 3.5Å; D37-R55 WeakPolarHBondContact OD2-CA 3.2Å; D37-R55 PolarHBondContact OD2-N 2.66Å; R55-T57 PolarHBondContact O-N 3.02Å; R55-D58 HydrophobicContact CB-CB 4.16Å; R55-D58 WeakPolarHBondContact CB-OD2 3.47Å; R55-D58 WeakPolarHBondContact CD-OD2 3.41Å; R55-D58 WeakPolarHBondContact O-CB 3.41Å; R55-D58 PolarHBondContact O-N 2.91Å; R55-D58 VanDerWaalsContact O-N 3.08Å; R55-Q64 PolarHBondContact NH1-O 3.44Å; R55-C67 VanDerWaalsContact CZ-SG 3.59Å; R55-C67 VanDerWaalsContact NH1-CA 3.26Å; R55-C67 VanDerWaalsContact NH1-CB 3.32Å; R55-C67 PolarHBondContact NH1-SG 3.01Å; R55-C67 PolarHBondContact NH2-SG 3.13Å
56F68.1Low67.5Low33 Ų3360.3 Ų60.315%0.14531%0.308CS..THydrogen-bonded Turntrans-61.2-32.3-170.2-175.3-96.3000112.9D37 V40 I45 I46 D58 I75 Y457D37-F56 PolarHBondContact OD1-N 2.91Å; V40-F56 HydrophobicContact CG1-CD1 4.18Å; V40-F56 HydrophobicContact CG1-CG 4.44Å; I45-F56 HydrophobicContact CG2-CE1 4.41Å; I45-F56 HydrophobicContact CG2-CZ 4.38Å; I46-F56 HydrophobicContact CG2-CB 4.35Å; I46-F56 HydrophobicContact CG2-CD2 3.79Å; I46-F56 HydrophobicContact CG2-CE2 4.3Å; I46-F56 HydrophobicContact CG2-CG 4.09Å; F56-D58 VanDerWaalsContact C-N 3.34Å; F56-I75 HydrophobicContact CD1-CD1 3.89Å; F56-I75 HydrophobicContact CE1-CD1 4.24Å; F56-Y457 HydrophobicContact CZ-CE2 4.39Å
57T72.8Confident68.4Low0 Ų061.9 Ų61.90%032%0.321CS..THydrogen-bonded Turntrans-73.9-22.5178.249.50000113.7T36 R55 T59 T73 I75 D104T36-T57 PolarHBondContact OG1-OG1 2.82Å; R55-T57 PolarHBondContact O-N 3.02Å; T57-T59 PolarHBondContact O-N 3.35Å; T57-T59 VanDerWaalsContact O-N 3.11Å; T57-T73 PolarHBondContact O-OG1 2.84Å; T57-I75 HydrophobicContact CG2-CD1 3.39Å; T57-I75 HydrophobicContact CG2-CG1 4.42Å; T57-D104 WeakPolarHBondContact CB-OD2 3.33Å; T57-D104 HydrophobicContact CG2-CB 3.95Å; T57-D104 PolarHBondContact OG1-OD2 3.33Å
58D77.1Confident69.3Low0 Ų060.1 Ų60.10%030%0.303CS..  trans-79.492.2171.7-63.9-18.6000107.1R55 F56 E63 Q64 T69 R456R55-D58 HydrophobicContact CB-CB 4.16Å; R55-D58 WeakPolarHBondContact CB-OD2 3.47Å; R55-D58 WeakPolarHBondContact CD-OD2 3.41Å; R55-D58 WeakPolarHBondContact O-CB 3.41Å; R55-D58 PolarHBondContact O-N 2.91Å; R55-D58 VanDerWaalsContact O-N 3.08Å; F56-D58 VanDerWaalsContact C-N 3.34Å; D58-E63 WeakPolarHBondContact CA-OE2 3.38Å; D58-E63 HydrophobicContact CB-CB 3.84Å; D58-Q64 HydrophobicContact CB-CG 4.18Å; D58-Q64 PolarHBondContact O-NE2 3.46Å; D58-Q64 VanDerWaalsContact O-NE2 3.12Å; D58-T69 PolarHBondContact OD1-OG1 2.86Å; D58-T69 VanDerWaalsContact OD1-OG1 3.09Å; D58-R456 PolarHBondContact O-NH2 3.19Å
59T74.4Confident70.2Confident49 Ų4956.6 Ų56.630%0.30128%0.278SS..  trans-84.4-26.9-171.261.70000112.8T57 E63 T73 R456T57-T59 PolarHBondContact O-N 3.35Å; T57-T59 VanDerWaalsContact O-N 3.11Å; T59-E63 PolarHBondContact N-OE2 3.03Å; T59-T73 HydrophobicContact CG2-CG2 4.06Å; T59-R456 HydrophobicContact CG2-CG 3.59Å
60R75.9Confident71.3Confident40 Ų4052.9 Ų52.915%0.15125%0.247CC..SBendtrans-89.6153.3-177.7-54167.552.2120.23111.1D62 E63 Q64 D560R60-D62 WeakPolarHBondContact CB-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 3.62Å; R60-D62 IonicContact CZ-OD2 3.47Å; R60-D62 IonicContact NE-OD1 2.67Å; R60-D62 PolarHBondContact NE-OD1 3.39Å; R60-D62 IonicContact NE-OD2 3.77Å; R60-D62 PolarHBondContact NE-OD2 3.46Å; R60-D62 IonicContact NH2-OD1 2.73Å; R60-D62 IonicContact NH2-OD2 3.78Å; R60-D62 PolarHBondContact NH2-OD2 3.05Å; R60-E63 HydrophobicContact CB-CB 4.29Å; R60-E63 HydrophobicContact CB-CG 3.9Å; R60-E63 HydrophobicContact CG-CG 4.36Å; R60-E63 PolarHBondContact N-OE2 3.3Å; R60-E63 PolarHBondContact O-N 3.22Å; R60-Q64 WeakPolarHBondContact O-CG 3.45Å; R60-Q64 PolarHBondContact O-N 2.91Å; R60-D560 IonicContact CZ-OD1 3.59Å; R60-D560 IonicContact CZ-OD2 3.6Å; R60-D560 IonicContact NH1-OD1 3.77Å; R60-D560 PolarHBondContact NH1-OD1 3.33Å; R60-D560 IonicContact NH1-OD2 3Å; R60-D560 PolarHBondContact NH1-OD2 3.09Å; R60-D560 IonicContact NH2-OD1 3.05Å; R60-D560 PolarHBondContact NH2-OD1 3.48Å; R60-D560 IonicContact NH2-OD2 3.34Å
61K75.8Confident72.2Confident154 Ų15445.7 Ų45.767%0.6722%0.22SC*.Hα-helixtrans-66.9-39.8-179-167.5-174.9-179.8-157.20112.2Q64 E65K61-Q64 PolarHBondContact O-N 2.9Å; K61-E65 WeakPolarHBondContact CE-OE1 3.23Å; K61-E65 IonicContact NZ-OE1 2.79Å; K61-E65 WeakPolarHBondContact O-CG 3.45Å; K61-E65 PolarHBondContact O-N 2.71Å
62D77.3Confident73.3Confident13 Ų1346.1 Ų46.17%0.0722%0.223CC..Hα-helixtrans-68-35.4177.354.5-7.5000112.9R60 Q64 E65 R66R60-D62 WeakPolarHBondContact CB-OD1 3.33Å; R60-D62 IonicContact CZ-OD1 3.62Å; R60-D62 IonicContact CZ-OD2 3.47Å; R60-D62 IonicContact NE-OD1 2.67Å; R60-D62 PolarHBondContact NE-OD1 3.39Å; R60-D62 IonicContact NE-OD2 3.77Å; R60-D62 PolarHBondContact NE-OD2 3.46Å; R60-D62 IonicContact NH2-OD1 2.73Å; R60-D62 IonicContact NH2-OD2 3.78Å; R60-D62 PolarHBondContact NH2-OD2 3.05Å; D62-Q64 VanDerWaalsContact C-N 3.32Å; D62-Q64 PolarHBondContact O-N 2.57Å; D62-E65 PolarHBondContact O-N 3.28Å; D62-R66 VanDerWaalsContact O-CB 3.29Å; D62-R66 WeakPolarHBondContact O-CB 3.36Å; D62-R66 WeakPolarHBondContact O-CG 3.44Å; D62-R66 PolarHBondContact O-N 3.19Å
63E78Confident74.4Confident0 Ų046.1 Ų46.10%022%0.22CC..Hα-helixtrans-57.8-45.8170.9-70.4178.2148.500111.3D58 T59 R60 C67 I68 I70 K71D58-E63 WeakPolarHBondContact CA-OE2 3.38Å; D58-E63 HydrophobicContact CB-CB 3.84Å; T59-E63 PolarHBondContact N-OE2 3.03Å; R60-E63 HydrophobicContact CB-CB 4.29Å; R60-E63 HydrophobicContact CB-CG 3.9Å; R60-E63 HydrophobicContact CG-CG 4.36Å; R60-E63 PolarHBondContact N-OE2 3.3Å; R60-E63 PolarHBondContact O-N 3.22Å; E63-C67 VanDerWaalsContact O-CA 3.3Å; E63-C67 WeakPolarHBondContact O-CA 3.39Å; E63-C67 PolarHBondContact O-N 3.15Å; E63-I68 VanDerWaalsContact CA-O 3.26Å; E63-I68 WeakPolarHBondContact CA-O 3.32Å; E63-I68 VanDerWaalsContact CB-O 3.29Å; E63-I68 WeakPolarHBondContact CB-O 3.4Å; E63-I68 WeakPolarHBondContact CG-O 3.27Å; E63-I68 PolarHBondContact O-N 3Å; E63-I70 HydrophobicContact CG-CB 3.71Å; E63-I70 HydrophobicContact CG-CD1 3.71Å; E63-I70 HydrophobicContact CG-CG1 3.72Å; E63-I70 WeakPolarHBondContact OE1-CA 3.3Å; E63-I70 WeakPolarHBondContact OE1-CB 3.48Å; E63-I70 PolarHBondContact OE1-N 2.81Å; E63-K71 PolarHBondContact OE1-N 3.09Å
64Q75.8Confident75.5Confident72 Ų7240.6 Ų40.634%0.33620%0.197SC..Hα-helixtrans-66.4-44.9179.7-65.4-175.9-1000112.3R55 D58 R60 K61 D62R55-Q64 PolarHBondContact NH1-O 3.44Å; D58-Q64 HydrophobicContact CB-CG 4.18Å; D58-Q64 PolarHBondContact O-NE2 3.46Å; D58-Q64 VanDerWaalsContact O-NE2 3.12Å; R60-Q64 WeakPolarHBondContact O-CG 3.45Å; R60-Q64 PolarHBondContact O-N 2.91Å; K61-Q64 PolarHBondContact O-N 2.9Å; D62-Q64 VanDerWaalsContact C-N 3.32Å; D62-Q64 PolarHBondContact O-N 2.57Å
65E77.4Confident76.6Confident126 Ų12638.3 Ų38.359%0.58918%0.182SC*.Hα-helixtrans-65-46178.5-73.6174.3-173.400111.9K61 D62 C67K61-E65 WeakPolarHBondContact CE-OE1 3.23Å; K61-E65 IonicContact NZ-OE1 2.79Å; K61-E65 WeakPolarHBondContact O-CG 3.45Å; K61-E65 PolarHBondContact O-N 2.71Å; D62-E65 PolarHBondContact O-N 3.28Å; E65-C67 VanDerWaalsContact C-N 3.34Å
66R74.6Confident77.5Confident100 Ų10035.9 Ų35.938%0.37718%0.175SC..Hα-helixtrans-81.8-12-179.1-63.7-173.3-174.9-148.70113.4D62 I68 E555D62-R66 VanDerWaalsContact O-CB 3.29Å; D62-R66 WeakPolarHBondContact O-CB 3.36Å; D62-R66 WeakPolarHBondContact O-CG 3.44Å; D62-R66 PolarHBondContact O-N 3.19Å; R66-I68 VanDerWaalsContact C-N 3.25Å; R66-I68 HydrophobicContact CB-CD1 4.27Å; R66-I68 HydrophobicContact CB-CG1 3.82Å; R66-I68 PolarHBondContact O-N 3.27Å; R66-E555 IonicContact CZ-OE1 3.6Å; R66-E555 IonicContact CZ-OE2 3.69Å; R66-E555 IonicContact NH1-OE1 3.59Å; R66-E555 IonicContact NH1-OE2 3.39Å; R66-E555 PolarHBondContact NH1-OE2 3.46Å; R66-E555 IonicContact NH2-OE1 3.48Å; R66-E555 PolarHBondContact NH2-OE1 2.63Å; R66-E555 IonicContact NH2-OE2 2.82Å; R66-E555 PolarHBondContact NH2-OE2 3.29Å
67C76.4Confident78.3Confident60 Ų6034.4 Ų34.441%0.40517%0.169SC..THydrogen-bonded Turntrans58.732.8-176.2-49.70000114.6R55 E63 E65R55-C67 VanDerWaalsContact CZ-SG 3.59Å; R55-C67 VanDerWaalsContact NH1-CA 3.26Å; R55-C67 VanDerWaalsContact NH1-CB 3.32Å; R55-C67 PolarHBondContact NH1-SG 3.01Å; R55-C67 PolarHBondContact NH2-SG 3.13Å; E63-C67 VanDerWaalsContact O-CA 3.3Å; E63-C67 WeakPolarHBondContact O-CA 3.39Å; E63-C67 PolarHBondContact O-N 3.15Å; E65-C67 VanDerWaalsContact C-N 3.34Å
68I77Confident79Confident25 Ų2537.2 Ų37.213%0.12818%0.18CC..SBendtrans-128.3143.4176.460.5172.1000110V28 E63 R66 I70 L552V28-I68 HydrophobicContact CG1-CG2 4.25Å; E63-I68 VanDerWaalsContact CA-O 3.26Å; E63-I68 WeakPolarHBondContact CA-O 3.32Å; E63-I68 VanDerWaalsContact CB-O 3.29Å; E63-I68 WeakPolarHBondContact CB-O 3.4Å; E63-I68 WeakPolarHBondContact CG-O 3.27Å; E63-I68 PolarHBondContact O-N 3Å; R66-I68 VanDerWaalsContact C-N 3.25Å; R66-I68 HydrophobicContact CB-CD1 4.27Å; R66-I68 HydrophobicContact CB-CG1 3.82Å; R66-I68 PolarHBondContact O-N 3.27Å; I68-I70 HydrophobicContact CD1-CG1 4.32Å; I68-I70 HydrophobicContact CG1-CG1 4.22Å; I68-L552 HydrophobicContact CD1-CD2 4.08Å
69T76.8Confident79.5Confident3 Ų338.7 Ų38.72%0.01819%0.186CC..  trans-80.9127.1170.5-44.70000109.4K32 S33 D58 P106K32-T69 WeakPolarHBondContact CE-OG1 3.17Å; K32-T69 PolarHBondContact NZ-OG1 2.94Å; S33-T69 PolarHBondContact OG-OG1 3.35Å; D58-T69 PolarHBondContact OD1-OG1 2.86Å; D58-T69 VanDerWaalsContact OD1-OG1 3.09Å; T69-P106 WeakPolarHBondContact O-CB 3.47Å
70I76.3Confident80.2Confident2 Ų241.8 Ų41.81%0.0120%0.196CC..  trans-107.3-46-176.5-65.5168.4000110.4E63 I68 P106 F111 I556E63-I70 HydrophobicContact CG-CB 3.71Å; E63-I70 HydrophobicContact CG-CD1 3.71Å; E63-I70 HydrophobicContact CG-CG1 3.72Å; E63-I70 WeakPolarHBondContact OE1-CA 3.3Å; E63-I70 WeakPolarHBondContact OE1-CB 3.48Å; E63-I70 PolarHBondContact OE1-N 2.81Å; I68-I70 HydrophobicContact CD1-CG1 4.32Å; I68-I70 HydrophobicContact CG1-CG1 4.22Å; I70-P106 WeakPolarHBondContact O-CG 3.13Å; I70-F111 HydrophobicContact CB-CE2 4.43Å; I70-F111 HydrophobicContact CG1-CE2 4.04Å; I70-F111 HydrophobicContact CG1-CZ 4.26Å; I70-F111 HydrophobicContact CG2-CD1 4.15Å; I70-F111 HydrophobicContact CG2-CE1 3.79Å; I70-F111 HydrophobicContact CG2-CE2 4.24Å; I70-F111 HydrophobicContact CG2-CZ 3.88Å; I70-I556 HydrophobicContact CD1-CD1 3.61Å; I70-I556 HydrophobicContact CD1-CG1 4.49Å; I70-I556 HydrophobicContact CG1-CD1 4.17Å; I70-I556 HydrophobicContact CG2-CD1 4.36Å; I70-I556 HydrophobicContact CG2-CG2 4.21Å
71K80.1Confident80.8Confident23 Ų2340.2 Ų40.210%0.119%0.191CC..SBendtrans-114.2143.2179.8-68.8-167.1175.4172.80111.3E63 T73 S530 D560E63-K71 PolarHBondContact OE1-N 3.09Å; K71-T73 PolarHBondContact O-N 2.85Å; K71-S530 PolarHBondContact NZ-OG 3.38Å; K71-D560 IonicContact NZ-OD2 2.77Å; K71-D560 PolarHBondContact NZ-OD2 3.32Å
72S79.1Confident81.3Confident13 Ų1339 Ų399%0.09119%0.188CC..  trans-70.5130178-50.30000111.7D104 P106 E114 K400S72-D104 WeakPolarHBondContact CA-O 3.5Å; S72-P106 WeakPolarHBondContact OG-CD 3.43Å; S72-E114 VanDerWaalsContact CB-OE2 3.29Å; S72-E114 WeakPolarHBondContact CB-OE2 3.3Å; S72-E114 PolarHBondContact N-OE2 3.12Å; S72-E114 PolarHBondContact OG-O 2.84Å; S72-E114 PolarHBondContact OG-OE2 3.44Å; S72-K400 PolarHBondContact O-NZ 3.21Å
73T80.7Confident81.5Confident13 Ų1346.1 Ų46.18%0.0822%0.221CC..EExtended strand (participates in β ladder)trans-119.4131.7179.5-60.80000110.4T57 T59 K71 D104T57-T73 PolarHBondContact O-OG1 2.84Å; T59-T73 HydrophobicContact CG2-CG2 4.06Å; K71-T73 PolarHBondContact O-N 2.85Å; T73-D104 PolarHBondContact N-O 3.29Å; T73-D104 PolarHBondContact O-N 3.37Å
74A83.8Confident81.7Confident14 Ų1448.7 Ų48.712%0.11623%0.234CC..EExtended strand (participates in β ladder)trans-99.8135.5178.700000111.8L102 I103 F413 M453 G455A74-L102 CarbonylContact C-O 3.5Å; A74-L102 WeakPolarHBondContact CA-O 3.29Å; A74-I103 HydrophobicContact CB-CG1 4.17Å; A74-F413 HydrophobicContact CB-CE2 3.45Å; A74-F413 VanDerWaalsContact CB-CE2 3.45Å; A74-F413 HydrophobicContact CB-CZ 3.65Å; A74-M453 HydrophobicContact CB-CB 4.39Å; A74-G455 WeakPolarHBondContact O-CA 3.33Å; A74-G455 PolarHBondContact O-N 2.79Å
75I84.3Confident82.2Confident3 Ų345.6 Ų45.62%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-134.2135.4176.8-58.1-179.6000108.8V40 I45 F56 T57 L77 L102V40-I75 HydrophobicContact CG2-CD1 3.76Å; V40-I75 HydrophobicContact CG2-CG2 4.45Å; I45-I75 HydrophobicContact CD1-CG2 3.88Å; F56-I75 HydrophobicContact CD1-CD1 3.89Å; F56-I75 HydrophobicContact CE1-CD1 4.24Å; T57-I75 HydrophobicContact CG2-CD1 3.39Å; T57-I75 HydrophobicContact CG2-CG1 4.42Å; I75-L77 HydrophobicContact CG2-CD2 3.82Å; I75-L77 HydrophobicContact CG2-CG 4.42Å; I75-L102 PolarHBondContact N-O 2.99Å; I75-L102 PolarHBondContact O-N 2.74Å
76S85.4Confident82.5Confident11 Ų1140.9 Ų40.98%0.07720%0.199CC..EExtended strand (participates in β ladder)trans-97.8131170.8-49.90000110.1I100 N101S76-I100 CarbonylContact C-O 3.56Å; S76-N101 PolarHBondContact OG-OD1 3.05Å
77L86.4Confident83Confident2 Ų238.2 Ų38.21%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-117.9135.8180-51.4169.1000109L39 V40 A43 I45 I75 I100 L102L39-L77 HydrophobicContact CB-CD1 4.04Å; V40-L77 HydrophobicContact CG2-CD2 4.34Å; A43-L77 HydrophobicContact CB-CB 4.1Å; A43-L77 HydrophobicContact CB-CD2 3.52Å; A43-L77 HydrophobicContact CB-CG 4.38Å; I45-L77 HydrophobicContact CD1-CD2 3.83Å; I75-L77 HydrophobicContact CG2-CD2 3.82Å; I75-L77 HydrophobicContact CG2-CG 4.42Å; L77-I100 HydrophobicContact CB-CB 4.27Å; L77-I100 PolarHBondContact N-O 2.97Å; L77-I100 PolarHBondContact O-N 2.74Å; L77-L102 HydrophobicContact CD1-CB 4.36Å; L77-L102 HydrophobicContact CD1-CD1 4.37Å
78Y87.3Confident83.4Confident58 Ų5836.5 Ų36.523%0.22718%0.184CC..EExtended strand (participates in β ladder)trans-102.9131.9171.1-178.5-108.9000110I12 E80I12-Y78 HydrophobicContact CD1-CE2 3.88Å; I12-Y78 HydrophobicContact CG1-CD2 4.25Å; I12-Y78 HydrophobicContact CG1-CE2 3.78Å; Y78-E80 HydrophobicContact CE1-CG 3.62Å; Y78-E80 WeakPolarHBondContact CE1-OE1 3.49Å; Y78-E80 VanDerWaalsContact OH-CG 3.29Å; Y78-E80 WeakPolarHBondContact OH-CG 3.33Å; Y78-E80 PolarHBondContact OH-OE1 2.8Å
79Y87.8Confident84Confident32 Ų3235.6 Ų35.613%0.12518%0.179CC..EExtended strand (participates in β ladder)trans-144135.4177.9-175.4-119.9000111L81 F98 L351 T355Y79-L81 HydrophobicContact CD1-CD2 4.19Å; Y79-L81 HydrophobicContact CD1-CG 4.4Å; Y79-L81 HydrophobicContact CE1-CD2 3.49Å; Y79-L81 VanDerWaalsContact CE1-CD2 3.49Å; Y79-L81 HydrophobicContact CE1-CG 4.16Å; Y79-F98 PolarHBondContact N-O 3.16Å; Y79-F98 PolarHBondContact O-N 3.17Å; Y79-L351 HydrophobicContact CD1-CB 3.68Å; Y79-L351 HydrophobicContact CD1-CD1 4.37Å; Y79-L351 HydrophobicContact CD1-CG 4.47Å; Y79-L351 HydrophobicContact CD2-CB 4.35Å; Y79-L351 HydrophobicContact CD2-CD1 3.6Å; Y79-L351 HydrophobicContact CE1-CB 3.63Å; Y79-L351 HydrophobicContact CE2-CB 4.37Å; Y79-L351 HydrophobicContact CE2-CD1 3.93Å; Y79-L351 HydrophobicContact CG-CB 4.04Å; Y79-L351 HydrophobicContact CG-CD1 3.85Å; Y79-L351 HydrophobicContact CG-CD2 4.48Å; Y79-L351 HydrophobicContact CG-CG 4.35Å; Y79-T355 HydrophobicContact CD1-CG2 4.29Å
80E88.7Confident84.5Confident113 Ų11344.3 Ų44.353%0.52822%0.217SC..EExtended strand (participates in β ladder)trans-104.7127.7175.4-67.9-178.1179.400109.6Y78 S96Y78-E80 HydrophobicContact CE1-CG 3.62Å; Y78-E80 WeakPolarHBondContact CE1-OE1 3.49Å; Y78-E80 VanDerWaalsContact OH-CG 3.29Å; Y78-E80 WeakPolarHBondContact OH-CG 3.33Å; Y78-E80 PolarHBondContact OH-OE1 2.8Å; E80-S96 WeakPolarHBondContact CA-O 3.36Å
81L86.9Confident85.1Confident7 Ų746.1 Ų46.14%0.03723%0.225CC..  trans-88.6146171.9-77.8179.9000111.2Y79 D85 L86 I89 S96 F98 T355Y79-L81 HydrophobicContact CD1-CD2 4.19Å; Y79-L81 HydrophobicContact CD1-CG 4.4Å; Y79-L81 HydrophobicContact CE1-CD2 3.49Å; Y79-L81 VanDerWaalsContact CE1-CD2 3.49Å; Y79-L81 HydrophobicContact CE1-CG 4.16Å; L81-D85 HydrophobicContact CB-CB 4.22Å; L81-D85 HydrophobicContact CD1-CB 4.46Å; L81-D85 HydrophobicContact CD2-CB 4Å; L81-D85 HydrophobicContact CG-CB 4.49Å; L81-L86 HydrophobicContact CB-CD2 4.17Å; L81-L86 HydrophobicContact CB-CG 4.43Å; L81-L86 HydrophobicContact CD1-CD2 4.32Å; L81-I89 HydrophobicContact CD1-CD1 3.68Å; L81-S96 PolarHBondContact N-O 3.16Å; L81-S96 WeakPolarHBondContact O-CB 3.45Å; L81-F98 HydrophobicContact CB-CD2 4.47Å; L81-F98 HydrophobicContact CB-CE2 4.15Å; L81-F98 HydrophobicContact CD1-CD2 4.08Å; L81-F98 HydrophobicContact CD1-CE2 3.59Å; L81-F98 HydrophobicContact CD1-CZ 4.06Å; L81-F98 HydrophobicContact CG-CD2 4.12Å; L81-F98 HydrophobicContact CG-CE2 4Å; L81-T355 HydrophobicContact CD1-CG2 4.49Å; L81-T355 WeakPolarHBondContact CD1-OG1 3.17Å
82E86.4Confident85.6Confident129 Ų12947.8 Ų47.860%0.60324%0.24SC*.  trans-64.4153169.3-61.3-167.6173.600111.5N84 D85 L86E82-N84 PolarHBondContact O-N 3.21Å; E82-D85 WeakPolarHBondContact O-CB 3.47Å; E82-D85 PolarHBondContact O-N 2.92Å; E82-L86 PolarHBondContact O-N 2.74Å; E82-L86 VanDerWaalsContact O-N 3.12Å
83E82.5Confident86.1Confident163 Ų16351.2 Ų51.276%0.76225%0.253SS*.Hα-helixtrans-57.6-34.5179.6-69.2-168.6159.200113.2D85 L86E83-D85 VanDerWaalsContact C-N 3.3Å; E83-D85 PolarHBondContact O-N 3.37Å; E83-L86 PolarHBondContact O-N 2.99Å
84N82.6Confident86.6Confident53 Ų5354.8 Ų54.828%0.28327%0.271SS..Hα-helixtrans-65.7-35.8176.6-66.4-43.3000111.7E82 A87 F88E82-N84 PolarHBondContact O-N 3.21Å; N84-A87 WeakPolarHBondContact O-CB 3.38Å; N84-A87 PolarHBondContact O-N 3.02Å; N84-F88 WeakPolarHBondContact O-CD2 3.26Å
85D84.7Confident86.9Confident8 Ų855.9 Ų55.94%0.04329%0.285CS..Hα-helixtrans-73.4-33.8-179.7-75.9-9.7000112.1L81 E82 E83 A87 F88 K226 Q352L81-D85 HydrophobicContact CB-CB 4.22Å; L81-D85 HydrophobicContact CD1-CB 4.46Å; L81-D85 HydrophobicContact CD2-CB 4Å; L81-D85 HydrophobicContact CG-CB 4.49Å; E82-D85 WeakPolarHBondContact O-CB 3.47Å; E82-D85 PolarHBondContact O-N 2.92Å; E83-D85 VanDerWaalsContact C-N 3.3Å; E83-D85 PolarHBondContact O-N 3.37Å; D85-A87 PolarHBondContact O-N 3.13Å; D85-F88 WeakPolarHBondContact O-CB 3.16Å; D85-F88 PolarHBondContact O-N 2.8Å; D85-F88 VanDerWaalsContact O-N 3.07Å; D85-K226 IonicContact OD1-NZ 2.6Å; D85-K226 PolarHBondContact OD1-NZ 3.42Å; D85-K226 IonicContact OD2-NZ 3.87Å; D85-Q352 VanDerWaalsContact CG-NE2 3.34Å; D85-Q352 PolarHBondContact OD1-NE2 3.37Å; D85-Q352 PolarHBondContact OD2-NE2 3.42Å
86L85.6Confident87.1Confident27 Ų2758 Ų5814%0.14130%0.3CS..Hα-helixtrans-55.9-34.7173.5-67.5174.8000111.1L81 E82 E83 F88 I89 K93 F98L81-L86 HydrophobicContact CB-CD2 4.17Å; L81-L86 HydrophobicContact CB-CG 4.43Å; L81-L86 HydrophobicContact CD1-CD2 4.32Å; E82-L86 PolarHBondContact O-N 2.74Å; E82-L86 VanDerWaalsContact O-N 3.12Å; E83-L86 PolarHBondContact O-N 2.99Å; L86-F88 PolarHBondContact O-N 3.12Å; L86-I89 HydrophobicContact CD2-CD1 4.11Å; L86-I89 WeakPolarHBondContact O-CB 3.43Å; L86-I89 PolarHBondContact O-N 3.09Å; L86-I89 VanDerWaalsContact O-N 3.1Å; L86-K93 HydrophobicContact CD2-CD 4.45Å; L86-K93 WeakPolarHBondContact O-CE 3.34Å; L86-K93 PolarHBondContact O-NZ 2.81Å; L86-F98 HydrophobicContact CD2-CE2 3.76Å; L86-F98 HydrophobicContact CD2-CZ 3.96Å
87A84.1Confident87.4Confident44 Ų4457.7 Ų57.736%0.36430%0.298SS..THydrogen-bonded Turntrans-61.4-26.2179.900000113.9N84 D85 I89 C250N84-A87 WeakPolarHBondContact O-CB 3.38Å; N84-A87 PolarHBondContact O-N 3.02Å; D85-A87 PolarHBondContact O-N 3.13Å; A87-I89 VanDerWaalsContact C-N 3.34Å; A87-C250 HydrophobicContact CB-CB 4.5Å
88F85.7Confident87.8Confident24 Ų2457.6 Ų57.611%0.10530%0.297CS..THydrogen-bonded Turntrans-77-19.9177.9-70-96.5000113.2N84 D85 L86 K90 C250 V253 E254 I356N84-F88 WeakPolarHBondContact O-CD2 3.26Å; D85-F88 WeakPolarHBondContact O-CB 3.16Å; D85-F88 PolarHBondContact O-N 2.8Å; D85-F88 VanDerWaalsContact O-N 3.07Å; L86-F88 PolarHBondContact O-N 3.12Å; F88-K90 PolarHBondContact O-N 2.92Å; F88-C250 VanDerWaalsContact CD1-SG 3.56Å; F88-C250 VanDerWaalsContact CE1-SG 3.51Å; F88-C250 HydrophobicContact CE2-CB 4.26Å; F88-C250 HydrophobicContact CZ-CB 4.17Å; F88-V253 HydrophobicContact CE1-CB 4.26Å; F88-V253 HydrophobicContact CE1-CG1 3.98Å; F88-V253 HydrophobicContact CZ-CB 3.8Å; F88-V253 HydrophobicContact CZ-CG1 3.68Å; F88-V253 HydrophobicContact CZ-CG2 4.38Å; F88-E254 HydrophobicContact CE1-CG 4.18Å; F88-I356 HydrophobicContact CB-CD1 4.11Å; F88-I356 HydrophobicContact CB-CG2 4.23Å
89I89.4Confident88Confident5 Ų555 Ų553%0.02629%0.287CS..  trans-74.5111.1-179.7-55.8-177.9000109.4L81 L86 A87 Q91 K93 F98 I356L81-I89 HydrophobicContact CD1-CD1 3.68Å; L86-I89 HydrophobicContact CD2-CD1 4.11Å; L86-I89 WeakPolarHBondContact O-CB 3.43Å; L86-I89 PolarHBondContact O-N 3.09Å; L86-I89 VanDerWaalsContact O-N 3.1Å; A87-I89 VanDerWaalsContact C-N 3.34Å; I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 HydrophobicContact CG2-CB 4.2Å; I89-K93 HydrophobicContact CB-CD 3.92Å; I89-K93 HydrophobicContact CD1-CD 4.44Å; I89-K93 HydrophobicContact CG2-CD 4.11Å; I89-K93 PolarHBondContact O-NZ 3.4Å; I89-F98 HydrophobicContact CD1-CE1 4.03Å; I89-F98 HydrophobicContact CD1-CE2 4.25Å; I89-F98 HydrophobicContact CD1-CZ 3.45Å; I89-F98 VanDerWaalsContact CD1-CZ 3.45Å; I89-I356 HydrophobicContact CG1-CG1 4.15Å
90K86.3Confident88.3Confident187 Ų18753.5 Ų53.581%0.81328%0.282SS*.  trans-76.9-16.3177.3-62.4-178.1-178.7175.90113.8F88F88-K90 PolarHBondContact O-N 2.92Å
91Q89.9Confident88.5Confident40 Ų4048.5 Ų48.519%0.18726%0.259CS..SBendtrans-88.9168.7-177.8-59.6179.656.700111.8I89 L358 P359 S360 T363I89-Q91 VanDerWaalsContact C-N 3.31Å; I89-Q91 HydrophobicContact CG2-CB 4.2Å; Q91-L358 PolarHBondContact NE2-O 3.05Å; Q91-L358 VanDerWaalsContact NE2-O 3.09Å; Q91-P359 VanDerWaalsContact OE1-CA 3.25Å; Q91-S360 VanDerWaalsContact OE1-N 3.11Å; Q91-T363 PolarHBondContact OE1-OG1 3.33Å
92S89.4Confident88.8Confident57 Ų5748.3 Ų48.340%0.39926%0.257SS..  trans-55.9140.5168.758.90000110.5S17S17-S92 WeakPolarHBondContact CB-O 3.34Å; S17-S92 PolarHBondContact OG-OG 2.83Å; S17-S92 VanDerWaalsContact OG-OG 3.09Å
93K90.7Very high88.9Confident85 Ų8542.2 Ų42.237%0.3723%0.229SC..  trans-150.1151.6179.463.2-158.4173.1-145.60110.3N18 L86 I89N18-K93 VanDerWaalsContact OD1-CA 3.27Å; N18-K93 WeakPolarHBondContact OD1-CA 3.33Å; L86-K93 HydrophobicContact CD2-CD 4.45Å; L86-K93 WeakPolarHBondContact O-CE 3.34Å; L86-K93 PolarHBondContact O-NZ 2.81Å; I89-K93 HydrophobicContact CB-CD 3.92Å; I89-K93 HydrophobicContact CD1-CD 4.44Å; I89-K93 HydrophobicContact CG2-CD 4.11Å; I89-K93 PolarHBondContact O-NZ 3.4Å
94D90.9Very high89.1Confident88 Ų8834.5 Ų34.547%0.47119%0.193SC..  trans-135.187.5-179.5-1783.8000111.7K15 N18K15-D94 WeakPolarHBondContact CD-O 3.16Å; K15-D94 PolarHBondContact NZ-O 3.06Å; K15-D94 VanDerWaalsContact NZ-O 3.1Å; N18-D94 PolarHBondContact ND2-O 3.38Å; N18-D94 PolarHBondContact OD1-N 3.34Å
95G89.7Confident89.1Confident38 Ų3832 Ų3239%0.39218%0.18SC..SBendtrans78.2-172.9-17500000113.6N18N18-G95 PolarHBondContact ND2-O 3.43Å
96S89.7Confident88.9Confident48 Ų4832 Ų3234%0.33618%0.18SC..SBendtrans-89.3-21.8-170.651.30000115.5E80 L81 F98E80-S96 WeakPolarHBondContact CA-O 3.36Å; L81-S96 PolarHBondContact N-O 3.16Å; L81-S96 WeakPolarHBondContact O-CB 3.45Å; S96-F98 WeakPolarHBondContact O-CD2 3.47Å; S96-F98 WeakPolarHBondContact O-CE2 3.4Å
97G91.7Very high88.3Confident3 Ų331.2 Ų31.23%0.03118%0.179CC..EExtended strand (participates in β ladder)trans-82.5129.8-176.700000112.8N18N18-G97 WeakPolarHBondContact CB-O 3.1Å; N18-G97 PolarHBondContact ND2-O 3.15Å
98F93.1Very high88Confident0 Ų031.2 Ų31.20%017%0.171CC..EExtended strand (participates in β ladder)trans-118.5140.5178.2-69.2-96.8000111.2N18 Y79 L81 L86 I89 S96 T355N18-F98 HydrophobicContact CB-CD1 3.82Å; N18-F98 HydrophobicContact CB-CE1 3.98Å; N18-F98 HydrophobicContact CB-CG 4.31Å; N18-F98 WeakPolarHBondContact O-CA 3.31Å; N18-F98 VanDerWaalsContact O-CD1 3.3Å; N18-F98 WeakPolarHBondContact O-CD1 3.38Å; Y79-F98 PolarHBondContact N-O 3.16Å; Y79-F98 PolarHBondContact O-N 3.17Å; L81-F98 HydrophobicContact CB-CD2 4.47Å; L81-F98 HydrophobicContact CB-CE2 4.15Å; L81-F98 HydrophobicContact CD1-CD2 4.08Å; L81-F98 HydrophobicContact CD1-CE2 3.59Å; L81-F98 HydrophobicContact CD1-CZ 4.06Å; L81-F98 HydrophobicContact CG-CD2 4.12Å; L81-F98 HydrophobicContact CG-CE2 4Å; L86-F98 HydrophobicContact CD2-CE2 3.76Å; L86-F98 HydrophobicContact CD2-CZ 3.96Å; I89-F98 HydrophobicContact CD1-CE1 4.03Å; I89-F98 HydrophobicContact CD1-CE2 4.25Å; I89-F98 HydrophobicContact CD1-CZ 3.45Å; I89-F98 VanDerWaalsContact CD1-CZ 3.45Å; S96-F98 WeakPolarHBondContact O-CD2 3.47Å; S96-F98 WeakPolarHBondContact O-CE2 3.4Å; F98-T355 HydrophobicContact CB-CG2 3.88Å; F98-T355 HydrophobicContact CD1-CG2 4.01Å; F98-T355 HydrophobicContact CD2-CG2 4.24Å; F98-T355 HydrophobicContact CG-CG2 3.77Å
99L93.1Very high87.3Confident4 Ų431 Ų312%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-107.2119171.1178.266.7000108.9I9 I12 M13 N18 I19 R20I9-L99 HydrophobicContact CG2-CD1 4.13Å; I9-L99 HydrophobicContact CG2-CD2 4.33Å; I12-L99 HydrophobicContact CG2-CB 3.53Å; M13-L99 HydrophobicContact CG-CD2 3.91Å; N18-L99 PolarHBondContact O-N 3.42Å; I19-L99 CarbonylContact C-O 3.52Å; I19-L99 VanDerWaalsContact CA-O 3.25Å; I19-L99 WeakPolarHBondContact CA-O 3.34Å; I19-L99 HydrophobicContact CG1-CB 4.46Å; R20-L99 PolarHBondContact N-O 3.41Å
100I93.6Very high86.6Confident1 Ų131.6 Ų31.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-112.9112.2-178.9-53.4171.8000107.6R20 M22 S76 L77 L351 I354 T355R20-I100 HydrophobicContact CB-CG1 4.25Å; R20-I100 HydrophobicContact CB-CG2 4.3Å; R20-I100 CarbonylContact O-C 2.97Å; R20-I100 WeakPolarHBondContact O-CA 3.47Å; M22-I100 HydrophobicContact CG-CG2 4.02Å; S76-I100 CarbonylContact C-O 3.56Å; L77-I100 HydrophobicContact CB-CB 4.27Å; L77-I100 PolarHBondContact N-O 2.97Å; L77-I100 PolarHBondContact O-N 2.74Å; I100-L351 HydrophobicContact CD1-CD2 3.41Å; I100-L351 VanDerWaalsContact CD1-CD2 3.41Å; I100-I354 HydrophobicContact CD1-CG2 3.9Å; I100-I354 HydrophobicContact CG1-CG2 4.32Å; I100-I354 HydrophobicContact CG2-CG2 4.01Å; I100-T355 HydrophobicContact CD1-CG2 3.94Å
101N92.9Very high86.3Confident8 Ų822.8 Ų22.84%0.04314%0.137CC..EExtended strand (participates in β ladder)trans-91.3104.6173.7-58.7-39.4000107.8R20 N21 M22 S76 I469R20-N101 PolarHBondContact O-N 3.2Å; N21-N101 PolarHBondContact OD1-ND2 2.85Å; M22-N101 PolarHBondContact N-O 3.48Å; S76-N101 PolarHBondContact OG-OD1 3.05Å; N101-I469 HydrophobicContact CB-CD1 3.77Å
102L92.1Very high85.5Confident2 Ų221.4 Ų21.41%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-94.2123.8177.8-175.7149.8000109.1M22 V24 T36 L39 A74 I75 L77 D104M22-L102 CarbonylContact O-C 3.43Å; M22-L102 WeakPolarHBondContact O-CA 3.38Å; M22-L102 HydrophobicContact SD-CB 4.28Å; M22-L102 HydrophobicContact SD-CD1 4.04Å; M22-L102 HydrophobicContact SD-CG 4.01Å; V24-L102 HydrophobicContact CG2-CD1 4.04Å; V24-L102 HydrophobicContact CG2-CD2 4.46Å; V24-L102 HydrophobicContact CG2-CG 4.23Å; T36-L102 HydrophobicContact CG2-CD1 4.35Å; T36-L102 HydrophobicContact CG2-CD2 4.12Å; L39-L102 HydrophobicContact CD1-CD1 3.53Å; A74-L102 CarbonylContact C-O 3.5Å; A74-L102 WeakPolarHBondContact CA-O 3.29Å; I75-L102 PolarHBondContact N-O 2.99Å; I75-L102 PolarHBondContact O-N 2.74Å; L77-L102 HydrophobicContact CD1-CB 4.36Å; L77-L102 HydrophobicContact CD1-CD1 4.37Å; L102-D104 HydrophobicContact CD2-CB 4.1Å
103I90.3Very high85Confident2 Ų218.7 Ų18.71%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-106.4112.1167.9-61.1163.8000107.9M22 S23 V24 A74 S105 A118 V121 T122 F413 I469M22-I103 PolarHBondContact O-N 2.81Å; S23-I103 VanDerWaalsContact CA-O 3.23Å; S23-I103 WeakPolarHBondContact CA-O 3.47Å; S23-I103 WeakPolarHBondContact CB-O 3.47Å; V24-I103 PolarHBondContact N-O 3.27Å; A74-I103 HydrophobicContact CB-CG1 4.17Å; I103-S105 PolarHBondContact O-N 3.36Å; I103-A118 HydrophobicContact CB-CB 4.33Å; I103-A118 HydrophobicContact CG2-CB 3.53Å; I103-V121 HydrophobicContact CD1-CG2 3.46Å; I103-V121 VanDerWaalsContact CD1-CG2 3.46Å; I103-T122 HydrophobicContact CB-CG2 4.48Å; I103-T122 HydrophobicContact CD1-CG2 3.69Å; I103-T122 HydrophobicContact CG1-CG2 4.43Å; I103-F413 HydrophobicContact CD1-CE1 4.08Å; I103-F413 HydrophobicContact CD1-CZ 3.89Å; I103-F413 HydrophobicContact CG1-CZ 4.12Å; I103-I469 HydrophobicContact CD1-CD1 3.71Å; I103-I469 HydrophobicContact CG1-CD1 4.3Å
104D85.1Confident84.7Confident1 Ų114.7 Ų14.71%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-78.9110.1174.1-166.60.1000108.5K32 T57 S72 T73 L102K32-D104 WeakPolarHBondContact CD-OD1 3.22Å; K32-D104 WeakPolarHBondContact CE-OD1 3.38Å; K32-D104 IonicContact NZ-OD1 3.15Å; K32-D104 PolarHBondContact NZ-OD1 3.01Å; T57-D104 WeakPolarHBondContact CB-OD2 3.33Å; T57-D104 HydrophobicContact CG2-CB 3.95Å; T57-D104 PolarHBondContact OG1-OD2 3.33Å; S72-D104 WeakPolarHBondContact CA-O 3.5Å; T73-D104 PolarHBondContact N-O 3.29Å; T73-D104 PolarHBondContact O-N 3.37Å; L102-D104 HydrophobicContact CD2-CB 4.1Å
105S83.8Confident84.3Confident1 Ų110.7 Ų10.71%0.0077%0.074CC..  trans-100.9142-176.552.90000111.1V24 K32 I103V24-S105 PolarHBondContact O-OG 3.49Å; K32-S105 PolarHBondContact NZ-O 3.18Å; I103-S105 PolarHBondContact O-N 3.36Å
106P80.9Confident84Confident6 Ų69.2 Ų9.24%0.0396%0.057CC..  trans-49.5144.2-179.5-32.840.3000115.1T69 I70 S72 F111 E114 V115T69-P106 WeakPolarHBondContact O-CB 3.47Å; I70-P106 WeakPolarHBondContact O-CG 3.13Å; S72-P106 WeakPolarHBondContact OG-CD 3.43Å; P106-F111 HydrophobicContact CB-CB 3.52Å; P106-F111 HydrophobicContact CB-CD2 4.44Å; P106-F111 HydrophobicContact CB-CG 4.36Å; P106-F111 HydrophobicContact CG-CB 3.86Å; P106-E114 HydrophobicContact CG-CB 3.66Å; P106-E114 HydrophobicContact CG-CG 4.36Å; P106-V115 HydrophobicContact CB-CG2 4.31Å; P106-V115 WeakPolarHBondContact O-CG2 3.37Å
107G71.6Confident83.8Confident12 Ų127 Ų712%0.1244%0.041CC..  trans-90.7-25.8175.300000113.2A26 Q138A26-G107 WeakPolarHBondContact O-CA 3.41Å; G107-Q138 PolarHBondContact O-NE2 2.93Å; G107-Q138 PolarHBondContact O-OE1 3.05Å
108H78.5Confident83.6Confident43 Ų437 Ų720%0.1994%0.041CC..SBendtrans-80.7135.8-176.1-166-70.6000111.6V28 D110 F111 L552V28-H108 HydrophobicContact CG2-CB 3.93Å; H108-D110 VanDerWaalsContact C-N 3.3Å; H108-D110 VanDerWaalsContact CE1-CG 3.46Å; H108-D110 IonicContact CE1-OD1 3.76Å; H108-D110 PolarHBondContact CE1-OD1 2.88Å; H108-D110 VanDerWaalsContact CE1-OD1 3.3Å; H108-D110 IonicContact CE1-OD2 2.78Å; H108-D110 PolarHBondContact ND1-N 2.75Å; H108-D110 IonicContact ND1-OD1 2.72Å; H108-D110 PolarHBondContact O-N 3.19Å; H108-F111 HydrophobicContact CB-CD2 3.93Å; H108-F111 HydrophobicContact CB-CE2 4.26Å; H108-F111 PolarHBondContact O-N 3.16Å; H108-L552 WeakPolarHBondContact NE2-CD2 3.37Å
109V71.8Confident83.5Confident19 Ų197 Ų712%0.1154%0.041CC..G310 helixtrans-54.1-39.1-176.6-80.20000114.9F111 S112 Q138 C812 V813V109-F111 PolarHBondContact O-N 2.83Å; V109-F111 VanDerWaalsContact O-N 3.09Å; V109-S112 WeakPolarHBondContact O-CB 3.04Å; V109-S112 PolarHBondContact O-N 3.18Å; V109-S112 PolarHBondContact O-OG 2.93Å; V109-Q138 HydrophobicContact CG1-CG 3.46Å; V109-Q138 VanDerWaalsContact CG1-CG 3.46Å; V109-C812 WeakPolarHBondContact CG2-O 3.49Å; V109-V813 HydrophobicContact CB-CG2 4.04Å; V109-V813 HydrophobicContact CG1-CG2 3.45Å; V109-V813 VanDerWaalsContact CG1-CG2 3.45Å; V109-V813 HydrophobicContact CG2-CG2 4.5Å
110D74.1Confident83.4Confident18 Ų187.2 Ų7.210%0.0964%0.042CC..G310 helixtrans-59.5-21.4178.1-64.622000113.9H108 A549 L552 H553H108-D110 VanDerWaalsContact C-N 3.3Å; H108-D110 VanDerWaalsContact CE1-CG 3.46Å; H108-D110 IonicContact CE1-OD1 3.76Å; H108-D110 PolarHBondContact CE1-OD1 2.88Å; H108-D110 VanDerWaalsContact CE1-OD1 3.3Å; H108-D110 IonicContact CE1-OD2 2.78Å; H108-D110 PolarHBondContact ND1-N 2.75Å; H108-D110 IonicContact ND1-OD1 2.72Å; H108-D110 PolarHBondContact O-N 3.19Å; D110-A549 HydrophobicContact CB-CB 4.49Å; D110-A549 WeakPolarHBondContact O-CB 3.26Å; D110-L552 WeakPolarHBondContact OD2-CB 3.4Å; D110-L552 PolarHBondContact OD2-N 2.52Å; D110-H553 HydrophobicContact CB-CB 3.6Å; D110-H553 PolarHBondContact O-ND1 2.81Å; D110-H553 PolarHBondContact OD2-N 3.26Å
111F79.8Confident83.4Confident3 Ų37.1 Ų7.11%0.0134%0.041CC..G310 helixtrans-105.923.5176.7-51.2-63.7000112.5I70 P106 H108 V109 S113 E114 V115 L552 H553 I556I70-F111 HydrophobicContact CB-CE2 4.43Å; I70-F111 HydrophobicContact CG1-CE2 4.04Å; I70-F111 HydrophobicContact CG1-CZ 4.26Å; I70-F111 HydrophobicContact CG2-CD1 4.15Å; I70-F111 HydrophobicContact CG2-CE1 3.79Å; I70-F111 HydrophobicContact CG2-CE2 4.24Å; I70-F111 HydrophobicContact CG2-CZ 3.88Å; P106-F111 HydrophobicContact CB-CB 3.52Å; P106-F111 HydrophobicContact CB-CD2 4.44Å; P106-F111 HydrophobicContact CB-CG 4.36Å; P106-F111 HydrophobicContact CG-CB 3.86Å; H108-F111 HydrophobicContact CB-CD2 3.93Å; H108-F111 HydrophobicContact CB-CE2 4.26Å; H108-F111 PolarHBondContact O-N 3.16Å; V109-F111 PolarHBondContact O-N 2.83Å; V109-F111 VanDerWaalsContact O-N 3.09Å; F111-S113 PolarHBondContact O-N 3.38Å; F111-S113 VanDerWaalsContact O-N 3.1Å; F111-E114 WeakPolarHBondContact O-CB 3.29Å; F111-E114 PolarHBondContact O-N 3.35Å; F111-E114 VanDerWaalsContact O-N 3.11Å; F111-V115 PolarHBondContact O-N 2.65Å; F111-L552 HydrophobicContact CE2-CD2 4.29Å; F111-L552 HydrophobicContact CZ-CG 4.31Å; F111-H553 HydrophobicContact CD1-CB 4.3Å; F111-H553 HydrophobicContact CE1-CB 3.77Å; F111-H553 AromaticContact CE1-CD2 3.82Å; F111-H553 HydrophobicContact CZ-CB 4.28Å; F111-I556 HydrophobicContact CE1-CD1 4.28Å; F111-I556 HydrophobicContact CE2-CD1 4.35Å; F111-I556 HydrophobicContact CZ-CD1 3.51Å
112S74Confident83.5Confident11 Ų116.8 Ų6.88%0.0774%0.039CC..Hα-helixtrans-57.4-23.5177.851.80000114.3V109 V115 T116 V501V109-S112 WeakPolarHBondContact O-CB 3.04Å; V109-S112 PolarHBondContact O-N 3.18Å; V109-S112 PolarHBondContact O-OG 2.93Å; S112-V115 WeakPolarHBondContact O-CB 3.28Å; S112-V115 PolarHBondContact O-N 3.36Å; S112-T116 PolarHBondContact O-N 3.43Å; S112-T116 PolarHBondContact O-OG1 3.28Å; S112-V501 VanDerWaalsContact OG-CG2 3.26Å; S112-V501 WeakPolarHBondContact OG-CG2 3.48Å
113S77.3Confident83.7Confident0 Ų06.7 Ų6.70%04%0.039CC..Hα-helixtrans-67.7-37.9176.2660000113.2F111 V115 T116 A117 M533F111-S113 PolarHBondContact O-N 3.38Å; F111-S113 VanDerWaalsContact O-N 3.1Å; S113-V115 VanDerWaalsContact C-N 3.29Å; S113-T116 PolarHBondContact O-N 2.68Å; S113-A117 WeakPolarHBondContact O-CB 3.39Å; S113-A117 PolarHBondContact O-N 2.91Å; S113-M533 VanDerWaalsContact CB-CB 3.44Å; S113-M533 WeakPolarHBondContact CB-SD 3.46Å; S113-M533 WeakPolarHBondContact OG-CG 3.35Å; S113-M533 PolarHBondContact OG-SD 3.45Å
114E84Confident84Confident1 Ų16.6 Ų6.61%0.0054%0.039CC..Hα-helixtrans-63.9-37.9172.3-81.4-78.6-172.600110.9S72 P106 F111 A117 A118 K400S72-E114 VanDerWaalsContact CB-OE2 3.29Å; S72-E114 WeakPolarHBondContact CB-OE2 3.3Å; S72-E114 PolarHBondContact N-OE2 3.12Å; S72-E114 PolarHBondContact OG-O 2.84Å; S72-E114 PolarHBondContact OG-OE2 3.44Å; P106-E114 HydrophobicContact CG-CB 3.66Å; P106-E114 HydrophobicContact CG-CG 4.36Å; F111-E114 WeakPolarHBondContact O-CB 3.29Å; F111-E114 PolarHBondContact O-N 3.35Å; F111-E114 VanDerWaalsContact O-N 3.11Å; E114-A117 WeakPolarHBondContact O-CB 3.16Å; E114-A117 PolarHBondContact O-N 2.76Å; E114-A118 PolarHBondContact O-N 2.87Å; E114-K400 WeakPolarHBondContact OE1-CE 3.37Å; E114-K400 IonicContact OE1-NZ 2.69Å; E114-K400 PolarHBondContact OE1-NZ 3.36Å; E114-K400 WeakPolarHBondContact OE2-CE 3.43Å; E114-K400 IonicContact OE2-NZ 3.81Å; E114-K400 PolarHBondContact OE2-NZ 2.95Å
115V84.1Confident84.5Confident3 Ų36.6 Ų6.62%0.0184%0.039CC..Hα-helixtrans-64.9-46.6174.2-173.50000111P106 F111 S112 S113 A117 A118 L119 V142P106-V115 HydrophobicContact CB-CG2 4.31Å; P106-V115 WeakPolarHBondContact O-CG2 3.37Å; F111-V115 PolarHBondContact O-N 2.65Å; S112-V115 WeakPolarHBondContact O-CB 3.28Å; S112-V115 PolarHBondContact O-N 3.36Å; S113-V115 VanDerWaalsContact C-N 3.29Å; V115-A117 VanDerWaalsContact C-N 3.28Å; V115-A117 PolarHBondContact O-N 3.37Å; V115-A118 WeakPolarHBondContact O-CB 3.18Å; V115-A118 PolarHBondContact O-N 3.38Å; V115-A118 VanDerWaalsContact O-N 3.12Å; V115-L119 HydrophobicContact CG1-CD1 4.12Å; V115-L119 HydrophobicContact CG1-CG 4.31Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 3.11Å; V115-V142 HydrophobicContact CG1-CB 4.4Å; V115-V142 HydrophobicContact CG1-CG1 3.37Å; V115-V142 HydrophobicContact CG1-CG2 4.07Å
116T81.9Confident85.1Confident8 Ų86.6 Ų6.65%0.0494%0.039CC..Hα-helixtrans-58.7-42.2176.9-52.80000111.1S112 S113 A118 L119 R120 M497 F499S112-T116 PolarHBondContact O-N 3.43Å; S112-T116 PolarHBondContact O-OG1 3.28Å; S113-T116 PolarHBondContact O-N 2.68Å; T116-A118 PolarHBondContact O-N 3.14Å; T116-L119 PolarHBondContact O-N 3.07Å; T116-R120 PolarHBondContact O-N 3.33Å; T116-M497 HydrophobicContact CG2-CB 4.24Å; T116-M497 HydrophobicContact CG2-CG 4.41Å; T116-M497 HydrophobicContact CG2-SD 4.2Å; T116-F499 HydrophobicContact CG2-CD1 4.36Å
117A85.5Confident85.9Confident0 Ų06.3 Ų6.30%04%0.037CC..Hα-helixtrans-57.8-45.8173.900000112.9S113 E114 V115 S399 M497 P532S113-A117 WeakPolarHBondContact O-CB 3.39Å; S113-A117 PolarHBondContact O-N 2.91Å; E114-A117 WeakPolarHBondContact O-CB 3.16Å; E114-A117 PolarHBondContact O-N 2.76Å; V115-A117 VanDerWaalsContact C-N 3.28Å; V115-A117 PolarHBondContact O-N 3.37Å; A117-S399 WeakPolarHBondContact CA-OG 3.48Å; A117-S399 WeakPolarHBondContact CB-OG 3.39Å; A117-S399 PolarHBondContact O-OG 3.19Å; A117-M497 WeakPolarHBondContact CA-SD 3.4Å; A117-M497 HydrophobicContact CB-CE 4.01Å; A117-M497 HydrophobicContact CB-SD 4.15Å; A117-P532 HydrophobicContact CB-CG 4.49Å
118A88.6Confident87Confident3 Ų35.8 Ų5.83%0.0253%0.031CC..Hα-helixtrans-63.9-47.8176.300000112.1I103 E114 V115 T116 R120 V121 T122I103-A118 HydrophobicContact CB-CB 4.33Å; I103-A118 HydrophobicContact CG2-CB 3.53Å; E114-A118 PolarHBondContact O-N 2.87Å; V115-A118 WeakPolarHBondContact O-CB 3.18Å; V115-A118 PolarHBondContact O-N 3.38Å; V115-A118 VanDerWaalsContact O-N 3.12Å; T116-A118 PolarHBondContact O-N 3.14Å; A118-R120 VanDerWaalsContact C-N 3.27Å; A118-R120 PolarHBondContact O-N 3.28Å; A118-V121 VanDerWaalsContact O-CG2 3.24Å; A118-V121 WeakPolarHBondContact O-CG2 3.07Å; A118-V121 PolarHBondContact O-N 2.89Å; A118-T122 WeakPolarHBondContact O-CG2 3.25Å; A118-T122 PolarHBondContact O-N 3.42Å; A118-T122 PolarHBondContact O-OG1 2.73Å
119L90.8Very high87.8Confident1 Ų13.7 Ų3.71%0.0052%0.022CC..Hα-helixtrans-59.6-35.6-176.2-68.4176.1000112.7S23 I25 V115 T116 V121 T122 V142 Q145 A146 I151S23-L119 WeakPolarHBondContact OG-CD2 3.5Å; I25-L119 HydrophobicContact CD1-CD2 4.1Å; I25-L119 HydrophobicContact CG1-CD2 4.45Å; V115-L119 HydrophobicContact CG1-CD1 4.12Å; V115-L119 HydrophobicContact CG1-CG 4.31Å; V115-L119 VanDerWaalsContact O-CG 3.31Å; V115-L119 WeakPolarHBondContact O-CG 3.44Å; V115-L119 PolarHBondContact O-N 3.11Å; T116-L119 PolarHBondContact O-N 3.07Å; L119-V121 PolarHBondContact O-N 3.47Å; L119-T122 WeakPolarHBondContact CA-OG1 3.21Å; L119-T122 PolarHBondContact O-N 3.11Å; L119-T122 PolarHBondContact O-OG1 2.99Å; L119-V142 HydrophobicContact CD1-CG1 4.11Å; L119-Q145 HydrophobicContact CD1-CB 3.86Å; L119-A146 HydrophobicContact CD1-CB 4.31Å; L119-A146 HydrophobicContact CD2-CB 3.98Å; L119-I151 HydrophobicContact CB-CD1 3.67Å; L119-I151 HydrophobicContact CD2-CD1 3.69Å; L119-I151 HydrophobicContact CG-CD1 4.22Å; L119-I151 WeakPolarHBondContact O-CD1 3.3Å
120R90.4Very high88.8Confident8 Ų82.9 Ų2.93%0.032%0.016CC..Hα-helixtrans-60.1-32.1-179.5-177.453.861.576.9-5.2113.6T116 A118 E149 Y397 R495 M497T116-R120 PolarHBondContact O-N 3.33Å; A118-R120 VanDerWaalsContact C-N 3.27Å; A118-R120 PolarHBondContact O-N 3.28Å; R120-E149 IonicContact CZ-OE1 3.82Å; R120-E149 IonicContact CZ-OE2 2.66Å; R120-E149 VanDerWaalsContact NE-CD 3.31Å; R120-E149 IonicContact NE-OE1 3.39Å; R120-E149 PolarHBondContact NE-OE1 2.93Å; R120-E149 IonicContact NE-OE2 3.29Å; R120-E149 PolarHBondContact NE-OE2 3.37Å; R120-E149 IonicContact NH2-OE1 3.48Å; R120-E149 PolarHBondContact NH2-OE1 2.85Å; R120-E149 IonicContact NH2-OE2 2.76Å; R120-Y397 HydrophobicContact CB-CE1 4.28Å; R120-Y397 HydrophobicContact CG-CD1 3.78Å; R120-Y397 HydrophobicContact CG-CE1 3.43Å; R120-Y397 VanDerWaalsContact CG-CE1 3.43Å; R120-R495 PolarHBondContact NH1-O 3.23Å; R120-M497 HydrophobicContact CB-CG 4.19Å; R120-M497 HydrophobicContact CB-SD 3.93Å; R120-M497 HydrophobicContact CG-CG 4.27Å; R120-M497 HydrophobicContact CG-SD 4.48Å
121V93.7Very high89.6Confident0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-100.3-7.3-176.1-65.40000113.6I103 A118 L119 Y397 F413 R415I103-V121 HydrophobicContact CD1-CG2 3.46Å; I103-V121 VanDerWaalsContact CD1-CG2 3.46Å; A118-V121 VanDerWaalsContact O-CG2 3.24Å; A118-V121 WeakPolarHBondContact O-CG2 3.07Å; A118-V121 PolarHBondContact O-N 2.89Å; L119-V121 PolarHBondContact O-N 3.47Å; V121-Y397 HydrophobicContact CG1-CD1 4.2Å; V121-F413 HydrophobicContact CG2-CE1 4.25Å; V121-R415 HydrophobicContact CB-CB 4Å; V121-R415 HydrophobicContact CG1-CB 3.88Å; V121-R415 WeakPolarHBondContact O-CD 3.26Å; V121-R415 PolarHBondContact O-NH1 3.13Å
122T95.3Very high89.9Confident0 Ų02.6 Ų2.60%02%0.016CC..  trans-96.2151.1179.956.30000112.6I103 A118 L119 R368I103-T122 HydrophobicContact CB-CG2 4.48Å; I103-T122 HydrophobicContact CD1-CG2 3.69Å; I103-T122 HydrophobicContact CG1-CG2 4.43Å; A118-T122 WeakPolarHBondContact O-CG2 3.25Å; A118-T122 PolarHBondContact O-N 3.42Å; A118-T122 PolarHBondContact O-OG1 2.73Å; L119-T122 WeakPolarHBondContact CA-OG1 3.21Å; L119-T122 PolarHBondContact O-N 3.11Å; L119-T122 PolarHBondContact O-OG1 2.99Å; T122-R368 PolarHBondContact O-NH1 2.91Å
123D96.6Very high90.3Very high0 Ų03.2 Ų3.20%02%0.02CC..SBendtrans-101.9-23.6-179.8-62.7-44.8000112.5N21 K152 P359 A364 R368 R415N21-D123 PolarHBondContact ND2-OD2 3.26Å; N21-D123 PolarHBondContact O-N 3.42Å; D123-K152 PolarHBondContact O-N 3.17Å; D123-P359 HydrophobicContact CB-CG 4.26Å; D123-P359 WeakPolarHBondContact O-CG 3.45Å; D123-A364 HydrophobicContact CB-CB 3.85Å; D123-A364 WeakPolarHBondContact OD1-CB 3.03Å; D123-R368 IonicContact OD1-NH1 2.83Å; D123-R368 PolarHBondContact OD1-NH1 2.84Å; D123-R415 IonicContact OD1-CZ 3.28Å; D123-R415 IonicContact OD1-NH1 3.52Å; D123-R415 PolarHBondContact OD1-NH1 3.35Å; D123-R415 IonicContact OD1-NH2 2.91Å; D123-R415 PolarHBondContact OD1-NH2 2.98Å; D123-R415 VanDerWaalsContact OD1-NH2 3.14Å; D123-R415 IonicContact OD2-CZ 3.71Å; D123-R415 VanDerWaalsContact OD2-CZ 3.29Å; D123-R415 IonicContact OD2-NH1 2.73Å; D123-R415 PolarHBondContact OD2-NH1 3.19Å; D123-R415 VanDerWaalsContact OD2-NH1 3.14Å; D123-R415 IonicContact OD2-NH2 3.77Å; D123-R415 PolarHBondContact OD2-NH2 2.77Å
124G96.4Very high90.8Very high1 Ų13.7 Ų3.71%0.013%0.025CC..EExtended strand (participates in β ladder)trans-139.8166.8176.400000112.7N21 M22 S23 I151 K152N21-G124 PolarHBondContact O-N 2.64Å; N21-G124 VanDerWaalsContact O-N 3.1Å; M22-G124 WeakPolarHBondContact CA-O 3.48Å; M22-G124 VanDerWaalsContact CB-O 3.31Å; M22-G124 WeakPolarHBondContact CB-O 3.37Å; S23-G124 PolarHBondContact N-O 3.29Å; G124-I151 VanDerWaalsContact CA-CG2 3.45Å; G124-K152 CarbonylContact C-O 3.51Å; G124-K152 VanDerWaalsContact CA-O 3.26Å; G124-K152 WeakPolarHBondContact CA-O 3.38Å
125A96.1Very high91Very high0 Ų05.2 Ų5.20%04%0.035CC..EExtended strand (participates in β ladder)trans-137.5136.7177.200000111.9S23 I25 I151 K152 P153 V154S23-A125 CarbonylContact O-C 3.55Å; S23-A125 WeakPolarHBondContact O-CA 3.36Å; I25-A125 HydrophobicContact CD1-CB 3.46Å; I25-A125 VanDerWaalsContact CD1-CB 3.46Å; I25-A125 HydrophobicContact CG1-CB 4.07Å; A125-I151 HydrophobicContact CB-CG2 3.9Å; A125-K152 PolarHBondContact N-O 2.91Å; A125-P153 CarbonylContact O-C 3.58Å; A125-P153 WeakPolarHBondContact O-CA 3.34Å; A125-V154 WeakPolarHBondContact O-CG2 3.34Å; A125-V154 PolarHBondContact O-N 2.98Å
126L96.6Very high91Very high1 Ų15.3 Ų5.31%0.0054%0.035CC..EExtended strand (participates in β ladder)trans-93.7107.8168.5174.466.8000108.9M22 S23 V24 I25 V128 V154 M156 L350 M353M22-L126 HydrophobicContact CE-CB 3.33Å; S23-L126 PolarHBondContact O-N 3.4Å; V24-L126 CarbonylContact C-O 3.48Å; V24-L126 WeakPolarHBondContact CA-O 3.41Å; V24-L126 HydrophobicContact CG1-CB 4.4Å; V24-L126 HydrophobicContact CG1-CD2 4.25Å; V24-L126 HydrophobicContact CG1-CG 4.34Å; V24-L126 WeakPolarHBondContact CG1-O 3.27Å; V24-L126 HydrophobicContact CG2-CD2 4.46Å; I25-L126 PolarHBondContact N-O 2.75Å; L126-V128 HydrophobicContact CG-CG2 4.34Å; L126-V154 CarbonylContact C-O 3.59Å; L126-V154 HydrophobicContact CB-CG2 4.31Å; L126-V154 HydrophobicContact CD1-CG2 3.91Å; L126-M156 HydrophobicContact CD1-CB 3.89Å; L126-L350 HydrophobicContact CD1-CD2 4.24Å; L126-L350 HydrophobicContact CD2-CD2 4.23Å; L126-M353 HydrophobicContact CD1-CE 3.52Å
127V96.3Very high90.6Very high1 Ų15.6 Ų5.61%0.0064%0.037CC..EExtended strand (participates in β ladder)trans-84.6125.1176.6-172.20000108.6I25 V129 T139 L143 P153 V154 L155 M156I25-V127 CarbonylContact O-C 3.51Å; I25-V127 WeakPolarHBondContact O-CA 3.47Å; V127-V129 HydrophobicContact CG1-CG2 4.15Å; V127-T139 HydrophobicContact CG1-CG2 3.64Å; V127-L143 HydrophobicContact CG2-CD1 4.08Å; V127-P153 HydrophobicContact CG2-CB 4.01Å; V127-V154 PolarHBondContact N-O 3.44Å; V127-L155 HydrophobicContact CB-CD1 4.11Å; V127-L155 HydrophobicContact CG1-CD1 4.09Å; V127-L155 CarbonylContact O-C 3.6Å; V127-L155 WeakPolarHBondContact O-CA 3.22Å; V127-M156 PolarHBondContact O-N 2.88Å
128V95.9Very high90.2Very high0 Ų05.8 Ų5.80%04%0.038CC..EExtended strand (participates in β ladder)trans-109.8120.3179.4-174.70000109.6V24 I25 A26 H30 L35 L126 M156 N158V24-V128 HydrophobicContact CG1-CG2 3.63Å; I25-V128 PolarHBondContact O-N 3.28Å; A26-V128 HydrophobicContact CB-CB 3.82Å; A26-V128 HydrophobicContact CB-CG2 4.42Å; H30-V128 HydrophobicContact CB-CG1 4.29Å; H30-V128 PolarHBondContact ND1-O 2.84Å; H30-V128 VanDerWaalsContact ND1-O 3.14Å; H30-V128 WeakPolarHBondContact O-CG1 3.42Å; L35-V128 HydrophobicContact CD1-CB 4.32Å; L35-V128 HydrophobicContact CD1-CG1 3.54Å; L35-V128 HydrophobicContact CD1-CG2 3.75Å; L126-V128 HydrophobicContact CG-CG2 4.34Å; V128-M156 WeakPolarHBondContact CA-O 3.3Å; V128-N158 HydrophobicContact CG1-CB 3.75Å
129V94.9Very high90.1Very high0 Ų05.7 Ų5.70%04%0.037CC..EExtended strand (participates in β ladder)trans-122.1131.6-178.11760000109.6V127 G134 V135 T139 L155 M156 M157 N158 I181V127-V129 HydrophobicContact CG1-CG2 4.15Å; V129-G134 VanDerWaalsContact CG1-C 3.44Å; V129-G134 WeakPolarHBondContact CG1-O 3.33Å; V129-V135 HydrophobicContact CG1-CG2 4.45Å; V129-V135 HydrophobicContact CG2-CG2 4.41Å; V129-T139 HydrophobicContact CG2-CG2 4.05Å; V129-L155 HydrophobicContact CB-CD1 4.02Å; V129-L155 HydrophobicContact CG2-CD1 3.52Å; V129-M156 PolarHBondContact N-O 3.27Å; V129-M157 CarbonylContact O-C 3.53Å; V129-M157 WeakPolarHBondContact O-CA 3.28Å; V129-N158 PolarHBondContact O-N 3.28Å; V129-I181 HydrophobicContact CB-CG2 4.27Å; V129-I181 HydrophobicContact CG1-CD1 4.41Å; V129-I181 HydrophobicContact CG1-CG2 3.68Å
130D92.9Very high89.7Confident1 Ų18.7 Ų8.71%0.0055%0.051CC..EExtended strand (participates in β ladder)trans-69.9129.4172.6-170.8-25.7000109.6H30 V132 G134 K159 R162H30-D130 PolarHBondContact ND1-N 3.44Å; D130-V132 PolarHBondContact O-N 3.18Å; D130-V132 PolarHBondContact OD1-N 3.24Å; D130-G134 WeakPolarHBondContact O-CA 3.42Å; D130-G134 PolarHBondContact O-N 3.13Å; D130-K159 VanDerWaalsContact OD2-CD 3.27Å; D130-K159 WeakPolarHBondContact OD2-CD 3.34Å; D130-K159 WeakPolarHBondContact OD2-CE 3.44Å; D130-K159 IonicContact OD2-NZ 3.97Å; D130-K159 PolarHBondContact OD2-NZ 3.47Å; D130-R162 IonicContact OD2-NH1 3.78Å
131C90.1Very high89.1Confident4 Ų49.6 Ų9.63%0.0276%0.057CC..THydrogen-bonded Turntrans-58.3-25.4176.3-66.60000113.2N158 T177 F178C131-N158 PolarHBondContact N-O 3.45Å; C131-N158 PolarHBondContact SG-O 2.98Å; C131-T177 WeakPolarHBondContact O-CG2 3.24Å; C131-F178 HydrophobicContact CB-CE1 4.31Å
132V85.6Confident88.7Confident12 Ų1210.5 Ų10.57%0.0736%0.063CC..THydrogen-bonded Turntrans-90.3-53.9-179.2-179.50000110.5D130 R162 L167 T779D130-V132 PolarHBondContact O-N 3.18Å; D130-V132 PolarHBondContact OD1-N 3.24Å; V132-R162 HydrophobicContact CG2-CB 3.94Å; V132-L167 HydrophobicContact CG1-CD1 4.07Å; V132-L167 HydrophobicContact CG2-CD1 3.89Å; V132-T779 HydrophobicContact CG1-CG2 3.58Å; V132-T779 WeakPolarHBondContact O-CG2 3.29Å
133S83.2Confident88.4Confident24 Ų2410.6 Ų10.617%0.1686%0.063CC..THydrogen-bonded Turntrans-76.2-26.8-175.8-54.60000113.7
134G88.8Confident87.8Confident10 Ų1015.2 Ų15.210%0.1038%0.081CC..BIsolated β-bridgetrans69.7-155.4-175.200000113.4H30 V129 D130 C136H30-G134 PolarHBondContact CE1-O 3.23Å; V129-G134 VanDerWaalsContact CG1-C 3.44Å; V129-G134 WeakPolarHBondContact CG1-O 3.33Å; D130-G134 WeakPolarHBondContact O-CA 3.42Å; D130-G134 PolarHBondContact O-N 3.13Å; G134-C136 PolarHBondContact O-SG 2.91Å
135V86.3Confident87.1Confident33 Ų3316.3 Ų16.320%0.29%0.085CC..SBendtrans-79124.8-178.5-174.90000109.6V129 T139 N184 V185 I188V129-V135 HydrophobicContact CG1-CG2 4.45Å; V129-V135 HydrophobicContact CG2-CG2 4.41Å; V135-T139 HydrophobicContact CG1-CG2 4.07Å; V135-N184 HydrophobicContact CG2-CB 4.11Å; V135-V185 HydrophobicContact CG2-CG2 3.55Å; V135-I188 HydrophobicContact CG1-CD1 3.68Å
136C84.4Confident86.8Confident4 Ų416.3 Ų16.33%0.0279%0.086CC..  trans-113.1167.9-179-51.10000110.4H27 G134 Q138 T139 E140 Q750H27-C136 HydrophobicContact CB-CB 4.31Å; H27-C136 WeakPolarHBondContact CD2-CB 3.37Å; G134-C136 PolarHBondContact O-SG 2.91Å; C136-Q138 VanDerWaalsContact C-N 3.27Å; C136-Q138 PolarHBondContact O-N 2.72Å; C136-Q138 VanDerWaalsContact O-N 3.11Å; C136-T139 WeakPolarHBondContact O-CB 3.41Å; C136-T139 PolarHBondContact O-N 2.86Å; C136-E140 PolarHBondContact O-N 3.34Å; C136-Q750 PolarHBondContact SG-NE2 2.77Å
137V74.4Confident86.5Confident14 Ų1416.5 Ų16.59%0.0859%0.087CC..Hα-helixtrans-51.9-37.3-177.5-86.10000115.1E140 T141 L746 E748V137-E140 PolarHBondContact O-N 2.9Å; V137-T141 VanDerWaalsContact O-CB 3.23Å; V137-T141 WeakPolarHBondContact O-CB 3.27Å; V137-T141 PolarHBondContact O-N 2.95Å; V137-T141 PolarHBondContact O-OG1 3.21Å; V137-L746 HydrophobicContact CG1-CD2 4.41Å; V137-E748 HydrophobicContact CG1-CB 4.3Å; V137-E748 WeakPolarHBondContact CG1-OE2 3.32Å; V137-E748 HydrophobicContact CG2-CB 3.69Å; V137-E748 HydrophobicContact CG2-CG 4.22Å
138Q77.6Confident85.9Confident5 Ų519.6 Ų19.62%0.02311%0.112CC..Hα-helixtrans-68.2-43.7178.7-62.6-177.6-24.200111.8H27 G107 V109 C136 E140 T141 V142 Q811H27-Q138 VanDerWaalsContact CA-OE1 3.27Å; H27-Q138 HydrophobicContact CB-CB 4.06Å; H27-Q138 PolarHBondContact CD2-OE1 3.27Å; H27-Q138 VanDerWaalsContact CG-OE1 3.28Å; G107-Q138 PolarHBondContact O-NE2 2.93Å; G107-Q138 PolarHBondContact O-OE1 3.05Å; V109-Q138 HydrophobicContact CG1-CG 3.46Å; V109-Q138 VanDerWaalsContact CG1-CG 3.46Å; C136-Q138 VanDerWaalsContact C-N 3.27Å; C136-Q138 PolarHBondContact O-N 2.72Å; C136-Q138 VanDerWaalsContact O-N 3.11Å; Q138-E140 VanDerWaalsContact C-N 3.31Å; Q138-E140 PolarHBondContact O-N 3.36Å; Q138-T141 PolarHBondContact O-N 3.15Å; Q138-V142 WeakPolarHBondContact O-CB 3.37Å; Q138-V142 VanDerWaalsContact O-CG2 3.29Å; Q138-V142 WeakPolarHBondContact O-CG2 3.46Å; Q138-V142 PolarHBondContact O-N 3.4Å; Q138-Q811 VanDerWaalsContact CD-NE2 3.35Å; Q138-Q811 VanDerWaalsContact NE2-NE2 3.12Å
139T85.3Confident85.5Confident0 Ų020.9 Ų20.90%012%0.118CC..Hα-helixtrans-59.9-46.4176.8-54.60000109.6V127 V129 V135 C136 L143V127-T139 HydrophobicContact CG1-CG2 3.64Å; V129-T139 HydrophobicContact CG2-CG2 4.05Å; V135-T139 HydrophobicContact CG1-CG2 4.07Å; C136-T139 WeakPolarHBondContact O-CB 3.41Å; C136-T139 PolarHBondContact O-N 2.86Å; T139-L143 WeakPolarHBondContact O-CB 3.47Å; T139-L143 PolarHBondContact O-N 2.82Å
140E83Confident85.4Confident64 Ų6422.2 Ų22.230%0.29912%0.123SC..Hα-helixtrans-62.5-50.5176.1-179.4-179.5168.700112C136 V137 Q138 V142 L143 R144 I188 Y192C136-E140 PolarHBondContact O-N 3.34Å; V137-E140 PolarHBondContact O-N 2.9Å; Q138-E140 VanDerWaalsContact C-N 3.31Å; Q138-E140 PolarHBondContact O-N 3.36Å; E140-V142 PolarHBondContact O-N 3.36Å; E140-L143 PolarHBondContact O-N 3.03Å; E140-R144 VanDerWaalsContact O-CB 3.3Å; E140-R144 WeakPolarHBondContact O-CB 3.19Å; E140-R144 PolarHBondContact O-N 3.06Å; E140-I188 HydrophobicContact CB-CD1 3.86Å; E140-I188 HydrophobicContact CG-CD1 3.81Å; E140-I188 HydrophobicContact CG-CG1 4.03Å; E140-I188 HydrophobicContact CG-CG2 4.15Å; E140-Y192 PolarHBondContact OE1-OH 2.79Å
141T78.8Confident85.5Confident27 Ų2722.2 Ų22.217%0.16612%0.123CC..Hα-helixtrans-59.6-46.5-175.7-630000111.4V137 Q138 Q145V137-T141 VanDerWaalsContact O-CB 3.23Å; V137-T141 WeakPolarHBondContact O-CB 3.27Å; V137-T141 PolarHBondContact O-N 2.95Å; V137-T141 PolarHBondContact O-OG1 3.21Å; Q138-T141 PolarHBondContact O-N 3.15Å; T141-Q145 WeakPolarHBondContact O-CG 3.24Å; T141-Q145 PolarHBondContact O-N 3.04Å; T141-Q145 VanDerWaalsContact O-N 3.12Å
142V85.1Confident85.7Confident20 Ų2024.5 Ų24.512%0.12113%0.133CC..Hα-helixtrans-75.1-35.7-179.2-178.70000111.2I25 V115 L119 Q138 E140 Q145 A146I25-V142 HydrophobicContact CB-CG1 4.15Å; I25-V142 HydrophobicContact CD1-CG1 3.83Å; I25-V142 HydrophobicContact CG1-CG1 3.67Å; I25-V142 HydrophobicContact CG2-CB 3.68Å; I25-V142 HydrophobicContact CG2-CG1 3.48Å; I25-V142 VanDerWaalsContact CG2-CG1 3.48Å; V115-V142 HydrophobicContact CG1-CB 4.4Å; V115-V142 HydrophobicContact CG1-CG1 3.37Å; V115-V142 HydrophobicContact CG1-CG2 4.07Å; L119-V142 HydrophobicContact CD1-CG1 4.11Å; Q138-V142 WeakPolarHBondContact O-CB 3.37Å; Q138-V142 VanDerWaalsContact O-CG2 3.29Å; Q138-V142 WeakPolarHBondContact O-CG2 3.46Å; Q138-V142 PolarHBondContact O-N 3.4Å; E140-V142 PolarHBondContact O-N 3.36Å; V142-Q145 WeakPolarHBondContact O-CB 3.2Å; V142-Q145 PolarHBondContact O-N 2.79Å; V142-A146 WeakPolarHBondContact O-CB 3.42Å; V142-A146 PolarHBondContact O-N 3.22Å
143L88.2Confident86.3Confident1 Ų124.5 Ų24.51%0.00513%0.133CC..Hα-helixtrans-63.6-42.4173.5179.857.4000111.4V127 T139 E140 Q145 A146 I147 P153 V185 I188 I189V127-L143 HydrophobicContact CG2-CD1 4.08Å; T139-L143 WeakPolarHBondContact O-CB 3.47Å; T139-L143 PolarHBondContact O-N 2.82Å; E140-L143 PolarHBondContact O-N 3.03Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; L143-Q145 PolarHBondContact O-N 3.46Å; L143-A146 WeakPolarHBondContact O-CB 3.31Å; L143-A146 PolarHBondContact O-N 2.91Å; L143-A146 VanDerWaalsContact O-N 3.15Å; L143-I147 HydrophobicContact CD1-CD1 4.14Å; L143-I147 HydrophobicContact CD1-CG1 4.29Å; L143-I147 HydrophobicContact CG-CD1 3.93Å; L143-I147 WeakPolarHBondContact O-CD1 3.27Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.33Å; L143-I147 PolarHBondContact O-N 3.21Å; L143-P153 HydrophobicContact CD1-CB 3.9Å; L143-P153 HydrophobicContact CD1-CG 4.28Å; L143-V185 HydrophobicContact CD2-CG1 3.91Å; L143-I188 HydrophobicContact CD2-CB 4.31Å; L143-I188 HydrophobicContact CD2-CG2 3.91Å; L143-I188 HydrophobicContact CG-CG2 4.17Å; L143-I189 HydrophobicContact CD2-CG1 4.36Å
144R83.6Confident86.9Confident98 Ų9823.4 Ų23.437%0.3713%0.125SC..Hα-helixtrans-57.4-45.4173.1179.7179.574.1-174.62111.5E140 I147 A148 Y192E140-R144 VanDerWaalsContact O-CB 3.3Å; E140-R144 WeakPolarHBondContact O-CB 3.19Å; E140-R144 PolarHBondContact O-N 3.06Å; R144-I147 PolarHBondContact O-N 3.35Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 2.99Å; R144-Y192 HydrophobicContact CB-CD2 4.08Å; R144-Y192 HydrophobicContact CB-CE2 4.29Å; R144-Y192 HydrophobicContact CB-CG 4.37Å; R144-Y192 VanDerWaalsContact CD-CE1 3.41Å; R144-Y192 VanDerWaalsContact CD-CZ 3.48Å; R144-Y192 HydrophobicContact CG-CD1 3.8Å; R144-Y192 HydrophobicContact CG-CD2 3.87Å; R144-Y192 HydrophobicContact CG-CE1 4.03Å; R144-Y192 HydrophobicContact CG-CE2 4.1Å; R144-Y192 HydrophobicContact CG-CG 3.71Å
145Q82.8Confident87.4Confident23 Ų2323 Ų2311%0.10712%0.12CC..Hα-helixtrans-62.2-43174.8-71170.87.600112L119 T141 V142 L143 I147 A148 E149 S500L119-Q145 HydrophobicContact CD1-CB 3.86Å; T141-Q145 WeakPolarHBondContact O-CG 3.24Å; T141-Q145 PolarHBondContact O-N 3.04Å; T141-Q145 VanDerWaalsContact O-N 3.12Å; V142-Q145 WeakPolarHBondContact O-CB 3.2Å; V142-Q145 PolarHBondContact O-N 2.79Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; L143-Q145 PolarHBondContact O-N 3.46Å; Q145-I147 VanDerWaalsContact C-N 3.32Å; Q145-I147 PolarHBondContact O-N 3.36Å; Q145-A148 PolarHBondContact O-N 3.29Å; Q145-E149 WeakPolarHBondContact O-CB 3.23Å; Q145-E149 WeakPolarHBondContact O-CG 3.47Å; Q145-E149 PolarHBondContact O-N 3.34Å; Q145-S500 PolarHBondContact NE2-OG 3.11Å
146A90Very high87.9Confident1 Ų121.4 Ų21.41%0.00811%0.111CC..Hα-helixtrans-61.5-43178.900000111.3I25 L119 V142 L143 E149 R150 I151I25-A146 HydrophobicContact CD1-CB 3.85Å; L119-A146 HydrophobicContact CD1-CB 4.31Å; L119-A146 HydrophobicContact CD2-CB 3.98Å; V142-A146 WeakPolarHBondContact O-CB 3.42Å; V142-A146 PolarHBondContact O-N 3.22Å; L143-A146 WeakPolarHBondContact O-CB 3.31Å; L143-A146 PolarHBondContact O-N 2.91Å; L143-A146 VanDerWaalsContact O-N 3.15Å; A146-E149 CarbonylContact O-C 3.49Å; A146-E149 PolarHBondContact O-N 2.85Å; A146-R150 PolarHBondContact O-N 2.83Å; A146-I151 HydrophobicContact CB-CB 4.12Å; A146-I151 HydrophobicContact CB-CD1 4.25Å; A146-I151 HydrophobicContact CB-CG2 4.47Å; A146-I151 VanDerWaalsContact O-CB 3.22Å; A146-I151 WeakPolarHBondContact O-CB 3.43Å; A146-I151 WeakPolarHBondContact O-CG1 3.25Å; A146-I151 PolarHBondContact O-N 3.33Å
147I89.4Confident88.5Confident5 Ų521.2 Ų21.23%0.02611%0.11CC..Hα-helixtrans-64.4-43.9176.2-65.1159.1000111L143 R144 Q145 E149 R150 I189 Y192 I203L143-I147 HydrophobicContact CD1-CD1 4.14Å; L143-I147 HydrophobicContact CD1-CG1 4.29Å; L143-I147 HydrophobicContact CG-CD1 3.93Å; L143-I147 WeakPolarHBondContact O-CD1 3.27Å; L143-I147 VanDerWaalsContact O-CG1 3.27Å; L143-I147 WeakPolarHBondContact O-CG1 3.33Å; L143-I147 PolarHBondContact O-N 3.21Å; R144-I147 PolarHBondContact O-N 3.35Å; Q145-I147 VanDerWaalsContact C-N 3.32Å; Q145-I147 PolarHBondContact O-N 3.36Å; I147-E149 PolarHBondContact O-N 2.9Å; I147-R150 WeakPolarHBondContact O-CA 3.21Å; I147-R150 PolarHBondContact O-N 3.04Å; I147-I189 HydrophobicContact CD1-CB 4.43Å; I147-I189 HydrophobicContact CD1-CG1 4.02Å; I147-Y192 WeakPolarHBondContact CG2-O 3.47Å; I147-I203 HydrophobicContact CG2-CD1 4.37Å
148A84.1Confident89.5Confident66 Ų6620.6 Ų20.655%0.54511%0.106SC..Hα-helixtrans-61.1-31175.200000112.6R144 Q145 R150 L371R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 2.99Å; Q145-A148 PolarHBondContact O-N 3.29Å; A148-R150 PolarHBondContact O-N 2.81Å; A148-L371 WeakPolarHBondContact O-CD2 3.22Å
149E87.6Confident90.3Very high26 Ų2622.4 Ų22.412%0.12111%0.114CC..THydrogen-bonded Turntrans-81.95.7172.8-72.3-68.5159.500113.6R120 Q145 A146 I147 I151 R368R120-E149 IonicContact CZ-OE1 3.82Å; R120-E149 IonicContact CZ-OE2 2.66Å; R120-E149 VanDerWaalsContact NE-CD 3.31Å; R120-E149 IonicContact NE-OE1 3.39Å; R120-E149 PolarHBondContact NE-OE1 2.93Å; R120-E149 IonicContact NE-OE2 3.29Å; R120-E149 PolarHBondContact NE-OE2 3.37Å; R120-E149 IonicContact NH2-OE1 3.48Å; R120-E149 PolarHBondContact NH2-OE1 2.85Å; R120-E149 IonicContact NH2-OE2 2.76Å; Q145-E149 WeakPolarHBondContact O-CB 3.23Å; Q145-E149 WeakPolarHBondContact O-CG 3.47Å; Q145-E149 PolarHBondContact O-N 3.34Å; A146-E149 CarbonylContact O-C 3.49Å; A146-E149 PolarHBondContact O-N 2.85Å; I147-E149 PolarHBondContact O-N 2.9Å; E149-I151 HydrophobicContact CB-CD1 3.81Å; E149-I151 HydrophobicContact CB-CG1 3.95Å; E149-R368 VanDerWaalsContact O-CZ 3.25Å; E149-R368 PolarHBondContact O-NE 2.75Å; E149-R368 PolarHBondContact O-NH2 2.88Å; E149-R368 IonicContact OE2-NH2 3.87Å
150R92.9Very high90.8Very high28 Ų2822.4 Ų22.411%0.10611%0.114CC..THydrogen-bonded Turntrans56.644.8-176.4-68.1-177.3172.5168.23.3113A146 I147 A148 E194 M200 Y367 R368 E370 L371A146-R150 PolarHBondContact O-N 2.83Å; I147-R150 WeakPolarHBondContact O-CA 3.21Å; I147-R150 PolarHBondContact O-N 3.04Å; A148-R150 PolarHBondContact O-N 2.81Å; R150-E194 IonicContact CZ-OE1 2.65Å; R150-E194 IonicContact NE-OE1 2.82Å; R150-E194 PolarHBondContact NE-OE1 2.84Å; R150-E194 IonicContact NH2-OE1 3.46Å; R150-E194 PolarHBondContact NH2-OE1 3.04Å; R150-E194 IonicContact NH2-OE2 3.64Å; R150-M200 WeakPolarHBondContact CA-SD 3.25Å; R150-M200 HydrophobicContact CB-CG 4.32Å; R150-M200 HydrophobicContact CB-SD 3.63Å; R150-M200 HydrophobicContact CG-CE 4.33Å; R150-M200 HydrophobicContact CG-CG 4.42Å; R150-M200 HydrophobicContact CG-SD 3.98Å; R150-Y367 HydrophobicContact CB-CD2 4.16Å; R150-Y367 HydrophobicContact CB-CE2 3.94Å; R150-Y367 PolarHBondContact NH1-O 2.95Å; R150-Y367 WeakPolarHBondContact O-CE2 3.4Å; R150-R368 HydrophobicContact CB-CG 3.92Å; R150-E370 IonicContact CZ-OE2 3.76Å; R150-E370 IonicContact NH1-OE2 3.66Å; R150-E370 PolarHBondContact NH1-OE2 2.83Å; R150-E370 IonicContact NH2-OE2 3.54Å; R150-L371 HydrophobicContact CB-CD2 4.37Å; R150-L371 HydrophobicContact CG-CD2 4.2Å
151I94.4Very high91.2Very high1 Ų120 Ų201%0.00510%0.103CC..PPolyproline II helixtrans-99.2134.9179.6-58.7173.6000109.8L119 G124 A125 A146 E149 P153L119-I151 HydrophobicContact CB-CD1 3.67Å; L119-I151 HydrophobicContact CD2-CD1 3.69Å; L119-I151 HydrophobicContact CG-CD1 4.22Å; L119-I151 WeakPolarHBondContact O-CD1 3.3Å; G124-I151 VanDerWaalsContact CA-CG2 3.45Å; A125-I151 HydrophobicContact CB-CG2 3.9Å; A146-I151 HydrophobicContact CB-CB 4.12Å; A146-I151 HydrophobicContact CB-CD1 4.25Å; A146-I151 HydrophobicContact CB-CG2 4.47Å; A146-I151 VanDerWaalsContact O-CB 3.22Å; A146-I151 WeakPolarHBondContact O-CB 3.43Å; A146-I151 WeakPolarHBondContact O-CG1 3.25Å; A146-I151 PolarHBondContact O-N 3.33Å; E149-I151 HydrophobicContact CB-CD1 3.81Å; E149-I151 HydrophobicContact CB-CG1 3.95Å; I151-P153 WeakPolarHBondContact O-CD 3.45Å
152K95.3Very high91.8Very high53 Ų5322.1 Ų22.123%0.2311%0.108CC..EExtended strand (participates in β ladder)trans-83.7124.6178.4-68.1-160171.6-156.20111.8D123 G124 A125 M200 I203 L358 P359D123-K152 PolarHBondContact O-N 3.17Å; G124-K152 CarbonylContact C-O 3.51Å; G124-K152 VanDerWaalsContact CA-O 3.26Å; G124-K152 WeakPolarHBondContact CA-O 3.38Å; A125-K152 PolarHBondContact N-O 2.91Å; K152-M200 WeakPolarHBondContact CE-O 3.42Å; K152-M200 PolarHBondContact NZ-O 3.25Å; K152-I203 HydrophobicContact CD-CG2 4.48Å; K152-I203 HydrophobicContact CG-CG2 4.27Å; K152-L358 WeakPolarHBondContact O-CD2 3.46Å; K152-P359 HydrophobicContact CB-CG 4.37Å; K152-P359 HydrophobicContact CD-CG 4.23Å; K152-P359 HydrophobicContact CG-CG 4.23Å
153P96.4Very high92Very high11 Ų1121.3 Ų21.37%0.07110%0.103CC..EExtended strand (participates in β ladder)trans-85150177.133.7-33.7000112.5A125 V127 L143 I151 I189 I205A125-P153 CarbonylContact O-C 3.58Å; A125-P153 WeakPolarHBondContact O-CA 3.34Å; V127-P153 HydrophobicContact CG2-CB 4.01Å; L143-P153 HydrophobicContact CD1-CB 3.9Å; L143-P153 HydrophobicContact CD1-CG 4.28Å; I151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-I189 HydrophobicContact CG-CD1 3.78Å; P153-I189 HydrophobicContact CG-CG1 4.4Å; P153-I205 HydrophobicContact CG-CG2 4.49Å
154V97.7Very high92.2Very high2 Ų222 Ų221%0.01211%0.106CC..EExtended strand (participates in β ladder)trans-129.3148.9158.5-69.40000108.1A125 L126 V127 M353 H357 L358A125-V154 WeakPolarHBondContact O-CG2 3.34Å; A125-V154 PolarHBondContact O-N 2.98Å; L126-V154 CarbonylContact C-O 3.59Å; L126-V154 HydrophobicContact CB-CG2 4.31Å; L126-V154 HydrophobicContact CD1-CG2 3.91Å; V127-V154 PolarHBondContact N-O 3.44Å; V154-M353 HydrophobicContact CB-CE 4.03Å; V154-M353 HydrophobicContact CB-CG 4.18Å; V154-M353 HydrophobicContact CB-SD 4.07Å; V154-M353 HydrophobicContact CG1-CG 4.22Å; V154-M353 HydrophobicContact CG2-CE 3.9Å; V154-H357 HydrophobicContact CG1-CB 3.92Å; V154-L358 HydrophobicContact CB-CD2 4.45Å; V154-L358 HydrophobicContact CG1-CD2 3.72Å; V154-L358 HydrophobicContact CG1-CG 4.32Å; V154-L358 HydrophobicContact CG2-CD1 4.37Å; V154-L358 HydrophobicContact CG2-CD2 4.02Å; V154-L358 HydrophobicContact CG2-CG 4.31Å
155L97.9Very high92.4Very high0 Ų019.4 Ų19.40%010%0.1CC..EExtended strand (participates in β ladder)trans-110.7138.9-172.1179.468.3000111.7V127 V129 M157 I181 V185 I205 T211 V212 G213V127-L155 HydrophobicContact CB-CD1 4.11Å; V127-L155 HydrophobicContact CG1-CD1 4.09Å; V127-L155 CarbonylContact O-C 3.6Å; V127-L155 WeakPolarHBondContact O-CA 3.22Å; V129-L155 HydrophobicContact CB-CD1 4.02Å; V129-L155 HydrophobicContact CG2-CD1 3.52Å; L155-M157 HydrophobicContact CD2-CE 3.75Å; L155-M157 HydrophobicContact CD2-CG 4.15Å; L155-M157 HydrophobicContact CG-CG 4.41Å; L155-I181 HydrophobicContact CD2-CG2 4.21Å; L155-V185 HydrophobicContact CD1-CG2 4.4Å; L155-V185 HydrophobicContact CD2-CG2 4.41Å; L155-I205 HydrophobicContact CB-CD1 3.71Å; L155-I205 HydrophobicContact CD2-CD1 3.33Å; L155-I205 HydrophobicContact CG-CD1 4.07Å; L155-T211 PolarHBondContact N-O 2.86Å; L155-V212 HydrophobicContact CB-CG1 4.46Å; L155-V212 HydrophobicContact CB-CG2 4.32Å; L155-V212 HydrophobicContact CD2-CG1 4.08Å; L155-V212 HydrophobicContact CD2-CG2 4.47Å; L155-V212 HydrophobicContact CG-CG1 4.38Å; L155-V212 CarbonylContact O-C 3.58Å; L155-V212 WeakPolarHBondContact O-CA 3.44Å; L155-G213 PolarHBondContact O-N 3.02Å
156M97.6Very high92.7Very high0 Ų024 Ų240%012%0.122CC..EExtended strand (participates in β ladder)trans-123117165.4177.163.3-170.300109.8L35 L126 V127 V128 V129 N158 G213 G215 A222 L350L35-M156 HydrophobicContact CD1-CG 3.9Å; L35-M156 HydrophobicContact CD2-CE 4.4Å; L126-M156 HydrophobicContact CD1-CB 3.89Å; V127-M156 PolarHBondContact O-N 2.88Å; V128-M156 WeakPolarHBondContact CA-O 3.3Å; V129-M156 PolarHBondContact N-O 3.27Å; M156-N158 PolarHBondContact O-N 3.04Å; M156-G213 WeakPolarHBondContact CA-O 3.31Å; M156-G215 VanDerWaalsContact CE-N 3.34Å; M156-A222 HydrophobicContact CE-CB 3.43Å; M156-A222 VanDerWaalsContact CE-CB 3.43Å; M156-A222 HydrophobicContact SD-CB 4.17Å; M156-L350 HydrophobicContact CB-CD2 4.18Å; M156-L350 HydrophobicContact CG-CD2 4.05Å; M156-L350 HydrophobicContact SD-CD2 3.95Å
157M96.7Very high92.5Very high0 Ų026.8 Ų26.80%014%0.136CC..EExtended strand (participates in β ladder)trans-84.7110.2170.6-61.7-175.4-166.700109.4V129 L155 F178 I181 V182 V212 G213 F214 G215V129-M157 CarbonylContact O-C 3.53Å; V129-M157 WeakPolarHBondContact O-CA 3.28Å; L155-M157 HydrophobicContact CD2-CE 3.75Å; L155-M157 HydrophobicContact CD2-CG 4.15Å; L155-M157 HydrophobicContact CG-CG 4.41Å; M157-F178 HydrophobicContact CE-CB 4.16Å; M157-F178 VanDerWaalsContact CE-O 3.25Å; M157-F178 WeakPolarHBondContact CE-O 3.36Å; M157-F178 HydrophobicContact SD-CB 3.87Å; M157-F178 HydrophobicContact SD-CD1 3.34Å; M157-F178 WeakPolarHBondContact SD-CD1 3.38Å; M157-F178 HydrophobicContact SD-CE1 4.09Å; M157-F178 HydrophobicContact SD-CG 3.8Å; M157-I181 HydrophobicContact CE-CB 3.9Å; M157-I181 HydrophobicContact CE-CG2 3.81Å; M157-I181 HydrophobicContact CG-CG2 4.34Å; M157-I181 HydrophobicContact SD-CB 4.38Å; M157-I181 HydrophobicContact SD-CD1 4.37Å; M157-I181 HydrophobicContact SD-CG2 4.32Å; M157-V182 HydrophobicContact CE-CG2 3.41Å; M157-V182 VanDerWaalsContact CE-CG2 3.41Å; M157-V212 HydrophobicContact CE-CG1 3.86Å; M157-V212 HydrophobicContact CG-CG1 4.5Å; M157-G213 PolarHBondContact N-O 3.16Å; M157-F214 HydrophobicContact CB-CD1 4.15Å; M157-F214 HydrophobicContact CE-CE1 3.86Å; M157-F214 HydrophobicContact CG-CD1 4.3Å; M157-F214 HydrophobicContact CG-CE1 4.44Å; M157-F214 HydrophobicContact SD-CD1 3.66Å; M157-F214 HydrophobicContact SD-CE1 3.46Å; M157-F214 WeakPolarHBondContact SD-CE1 3.46Å; M157-G215 PolarHBondContact O-N 2.66Å
158N95.6Very high92.5Very high2 Ų233.7 Ų33.71%0.01117%0.168CC..EExtended strand (participates in β ladder)trans-105.3165.9-172.1-163.921.3000111.8H30 L35 V128 V129 C131 M156 M160 G215 S216 G217H30-N158 PolarHBondContact O-ND2 2.96Å; L35-N158 HydrophobicContact CD1-CB 4.24Å; V128-N158 HydrophobicContact CG1-CB 3.75Å; V129-N158 PolarHBondContact O-N 3.28Å; C131-N158 PolarHBondContact N-O 3.45Å; C131-N158 PolarHBondContact SG-O 2.98Å; M156-N158 PolarHBondContact O-N 3.04Å; N158-M160 VanDerWaalsContact C-N 3.28Å; N158-M160 PolarHBondContact O-N 3.44Å; N158-G215 CarbonylContact C-O 3.6Å; N158-G215 WeakPolarHBondContact CA-O 3.48Å; N158-S216 WeakPolarHBondContact OD1-CA 3.47Å; N158-G217 PolarHBondContact OD1-N 3.14Å
159K94Very high92.8Very high42 Ų4231.5 Ų31.518%0.18315%0.147CC..  trans60.832.3-177.3-48.7-162.2-159.7153.80114.7D29 D130 D161 R162 G215D29-K159 WeakPolarHBondContact O-CE 3.35Å; D29-K159 PolarHBondContact O-NZ 3.35Å; D130-K159 VanDerWaalsContact OD2-CD 3.27Å; D130-K159 WeakPolarHBondContact OD2-CD 3.34Å; D130-K159 WeakPolarHBondContact OD2-CE 3.44Å; D130-K159 IonicContact OD2-NZ 3.97Å; D130-K159 PolarHBondContact OD2-NZ 3.47Å; K159-D161 VanDerWaalsContact CA-OD1 3.28Å; K159-D161 WeakPolarHBondContact CA-OD1 3.38Å; K159-D161 PolarHBondContact O-N 2.85Å; K159-D161 VanDerWaalsContact O-N 3.09Å; K159-R162 HydrophobicContact CB-CG 4.26Å; K159-R162 PolarHBondContact O-N 3.47Å; K159-G215 PolarHBondContact N-O 2.97Å
160M94.8Very high93Very high0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-57.1-24.4172.9-170.4175.3178.600112.5N158 R162 A163 L164 L174 F178 F214 G215 W221 F223 L294N158-M160 VanDerWaalsContact C-N 3.28Å; N158-M160 PolarHBondContact O-N 3.44Å; M160-R162 VanDerWaalsContact C-N 3.29Å; M160-R162 PolarHBondContact O-N 3.38Å; M160-A163 PolarHBondContact O-N 3.2Å; M160-L164 HydrophobicContact CG-CD1 4.27Å; M160-L164 WeakPolarHBondContact O-CG 3.26Å; M160-L164 PolarHBondContact O-N 3.13Å; M160-L174 HydrophobicContact CE-CD2 3.72Å; M160-F178 HydrophobicContact CE-CE2 3.93Å; M160-F178 HydrophobicContact CE-CZ 3.73Å; M160-F178 HydrophobicContact CG-CZ 4.1Å; M160-F178 HydrophobicContact SD-CE2 4.47Å; M160-F178 HydrophobicContact SD-CZ 3.87Å; M160-F214 HydrophobicContact SD-CB 4.35Å; M160-G215 VanDerWaalsContact CB-O 3.28Å; M160-G215 WeakPolarHBondContact CB-O 3.46Å; M160-G215 PolarHBondContact N-O 2.85Å; M160-W221 HydrophobicContact CB-CH2 4.39Å; M160-W221 HydrophobicContact CB-CZ2 4.4Å; M160-W221 HydrophobicContact CE-CH2 4.42Å; M160-W221 HydrophobicContact CG-CH2 4.21Å; M160-W221 HydrophobicContact SD-CH2 3.57Å; M160-W221 VanDerWaalsContact SD-CH2 3.57Å; M160-W221 HydrophobicContact SD-CZ2 4.43Å; M160-W221 HydrophobicContact SD-CZ3 4.23Å; M160-F223 HydrophobicContact SD-CE1 4.27Å; M160-L294 HydrophobicContact CE-CD2 3.35Å
161D92.3Very high93Very high13 Ų1336.4 Ų36.47%0.0717%0.173CC..Hα-helixtrans-60.3-33.117456.2-70.5000113.8K159 L164 L165 S216 H219K159-D161 VanDerWaalsContact CA-OD1 3.28Å; K159-D161 WeakPolarHBondContact CA-OD1 3.38Å; K159-D161 PolarHBondContact O-N 2.85Å; K159-D161 VanDerWaalsContact O-N 3.09Å; D161-L164 PolarHBondContact O-N 3.46Å; D161-L165 VanDerWaalsContact O-CB 3.26Å; D161-L165 WeakPolarHBondContact O-CB 3.32Å; D161-L165 WeakPolarHBondContact O-CG 3.26Å; D161-L165 PolarHBondContact O-N 3.29Å; D161-S216 VanDerWaalsContact CG-OG 3.3Å; D161-S216 WeakPolarHBondContact OD1-CB 3.21Å; D161-S216 PolarHBondContact OD1-OG 3.2Å; D161-H219 IonicContact OD2-NE2 2.78Å
162R91Very high92.8Very high73 Ų7340 Ų4028%0.27519%0.193SC..Hα-helixtrans-68.6-41.6176.7-63.8-176.365.6-1570.8111.7D130 V132 K159 M160 L164 E166 L167D130-R162 IonicContact OD2-NH1 3.78Å; V132-R162 HydrophobicContact CG2-CB 3.94Å; K159-R162 HydrophobicContact CB-CG 4.26Å; K159-R162 PolarHBondContact O-N 3.47Å; M160-R162 VanDerWaalsContact C-N 3.29Å; M160-R162 PolarHBondContact O-N 3.38Å; R162-L164 VanDerWaalsContact C-N 3.26Å; R162-L164 PolarHBondContact O-N 3.06Å; R162-E166 HydrophobicContact CB-CG 4.46Å; R162-E166 IonicContact CZ-OE2 2.66Å; R162-E166 IonicContact NE-OE1 3.65Å; R162-E166 IonicContact NE-OE2 3.68Å; R162-E166 PolarHBondContact NE-OE2 3.48Å; R162-E166 IonicContact NH2-OE2 3.17Å; R162-E166 PolarHBondContact NH2-OE2 2.9Å; R162-E166 WeakPolarHBondContact O-CA 3.36Å; R162-E166 VanDerWaalsContact O-CB 3.28Å; R162-E166 WeakPolarHBondContact O-CB 3.42Å; R162-E166 PolarHBondContact O-N 3.44Å; R162-L167 PolarHBondContact O-N 2.85Å
163A90.8Very high92.7Very high2 Ų242.5 Ų42.52%0.01721%0.205CC..Hα-helixtrans-61-37.217500000112.1M160 Q168 L169 L174M160-A163 PolarHBondContact O-N 3.2Å; A163-Q168 PolarHBondContact O-N 3.35Å; A163-Q168 VanDerWaalsContact O-N 3.12Å; A163-L169 HydrophobicContact CB-CD1 4.13Å; A163-L169 PolarHBondContact O-N 2.96Å; A163-L169 VanDerWaalsContact O-N 3.12Å; A163-L174 HydrophobicContact CB-CD1 3.73Å
164L91.1Very high92.5Very high15 Ų1542 Ų428%0.07920%0.202CC..Hα-helixtrans-80.5-42-178.9-63.4172.8000113.3M160 D161 R162 L174 W221 I297 F298 F301M160-L164 HydrophobicContact CG-CD1 4.27Å; M160-L164 WeakPolarHBondContact O-CG 3.26Å; M160-L164 PolarHBondContact O-N 3.13Å; D161-L164 PolarHBondContact O-N 3.46Å; R162-L164 VanDerWaalsContact C-N 3.26Å; R162-L164 PolarHBondContact O-N 3.06Å; L164-L174 HydrophobicContact CD2-CD2 3.96Å; L164-W221 HydrophobicContact CD1-CH2 4.49Å; L164-W221 HydrophobicContact CD1-CZ2 4.36Å; L164-I297 HydrophobicContact CD1-CG2 4.01Å; L164-F298 HydrophobicContact CD2-CD1 4.18Å; L164-F298 HydrophobicContact CD2-CD2 3.78Å; L164-F298 HydrophobicContact CD2-CE1 3.71Å; L164-F298 HydrophobicContact CD2-CE2 3.28Å; L164-F298 HydrophobicContact CD2-CG 4.23Å; L164-F298 HydrophobicContact CD2-CZ 3.25Å; L164-F301 HydrophobicContact CB-CD1 3.98Å; L164-F301 HydrophobicContact CB-CE1 4.06Å; L164-F301 HydrophobicContact CD1-CD1 4.04Å; L164-F301 HydrophobicContact CD1-CD2 4.15Å; L164-F301 HydrophobicContact CD1-CE1 3.73Å; L164-F301 HydrophobicContact CD1-CE2 3.84Å; L164-F301 HydrophobicContact CD1-CG 4.25Å; L164-F301 HydrophobicContact CD1-CZ 3.63Å
165L88.7Confident92.4Very high45 Ų4542 Ų4224%0.23620%0.202CC..Hα-helixtrans-98.4-37.6-171.1-65175.1000113.7D161 F301 M305D161-L165 VanDerWaalsContact O-CB 3.26Å; D161-L165 WeakPolarHBondContact O-CB 3.32Å; D161-L165 WeakPolarHBondContact O-CG 3.26Å; D161-L165 PolarHBondContact O-N 3.29Å; L165-F301 HydrophobicContact CD1-CD1 4.48Å; L165-F301 HydrophobicContact CD1-CE1 4.2Å; L165-F301 HydrophobicContact CD2-CD1 3.71Å; L165-F301 HydrophobicContact CD2-CE1 4.25Å; L165-F301 HydrophobicContact CG-CD1 3.95Å; L165-F301 HydrophobicContact CG-CE1 4.02Å; L165-M305 HydrophobicContact CD2-CE 4.32Å; L165-M305 HydrophobicContact CD2-CG 3.85Å; L165-M305 HydrophobicContact CD2-SD 4.4Å
166E88.3Confident92.2Very high120 Ų12044.4 Ų44.456%0.56121%0.213SC*.THydrogen-bonded Turntrans-94-52.9-174.9-58175.5-178.800111R162R162-E166 HydrophobicContact CB-CG 4.46Å; R162-E166 IonicContact CZ-OE2 2.66Å; R162-E166 IonicContact NE-OE1 3.65Å; R162-E166 IonicContact NE-OE2 3.68Å; R162-E166 PolarHBondContact NE-OE2 3.48Å; R162-E166 IonicContact NH2-OE2 3.17Å; R162-E166 PolarHBondContact NH2-OE2 2.9Å; R162-E166 WeakPolarHBondContact O-CA 3.36Å; R162-E166 VanDerWaalsContact O-CB 3.28Å; R162-E166 WeakPolarHBondContact O-CB 3.42Å; R162-E166 PolarHBondContact O-N 3.44Å
167L86.3Confident92Very high58 Ų5845.2 Ų45.230%0.30422%0.218SC..SBendtrans-83.7-21.7-177.7-62.2177000113.1V132 R162 L169 T779V132-L167 HydrophobicContact CG1-CD1 4.07Å; V132-L167 HydrophobicContact CG2-CD1 3.89Å; R162-L167 PolarHBondContact O-N 2.85Å; L167-L169 HydrophobicContact CB-CD1 4.5Å; L167-L169 HydrophobicContact CB-CD2 4.29Å; L167-L169 HydrophobicContact CB-CG 3.87Å; L167-L169 HydrophobicContact CD1-CD1 4.25Å; L167-L169 HydrophobicContact CD1-CG 4.46Å; L167-L169 PolarHBondContact O-N 2.77Å; L167-T779 HydrophobicContact CD1-CG2 4.31Å
168Q88.3Confident92Very high150 Ų15045.2 Ų45.270%0.70122%0.218SC*.  trans49.143.5-176.9-60.6-173.8-2500112.7A163A163-Q168 PolarHBondContact O-N 3.35Å; A163-Q168 VanDerWaalsContact O-N 3.12Å
169L90.3Very high92Very high21 Ų2148.4 Ų48.411%0.1123%0.233CC..  trans-63.6142.9-179.1-67.2177.7000111.1A163 L167 L174 F298A163-L169 HydrophobicContact CB-CD1 4.13Å; A163-L169 PolarHBondContact O-N 2.96Å; A163-L169 VanDerWaalsContact O-N 3.12Å; L167-L169 HydrophobicContact CB-CD1 4.5Å; L167-L169 HydrophobicContact CB-CD2 4.29Å; L167-L169 HydrophobicContact CB-CG 3.87Å; L167-L169 HydrophobicContact CD1-CD1 4.25Å; L167-L169 HydrophobicContact CD1-CG 4.46Å; L167-L169 PolarHBondContact O-N 2.77Å; L169-L174 HydrophobicContact CB-CB 4.46Å; L169-L174 HydrophobicContact CD1-CD1 4.37Å; L169-F298 WeakPolarHBondContact O-CE1 3.41Å; L169-F298 VanDerWaalsContact O-CZ 3.22Å; L169-F298 WeakPolarHBondContact O-CZ 3.35Å
170E92.7Very high91.9Very high128 Ų12850.1 Ų50.160%0.59824%0.238SC*.  trans-67.6151.1172.4-72.9-65.5155.400111D172 E173 L174E170-D172 VanDerWaalsContact C-N 3.29Å; E170-D172 PolarHBondContact O-N 2.94Å; E170-E173 HydrophobicContact CB-CG 4.22Å; E170-E173 PolarHBondContact O-N 2.89Å; E170-L174 PolarHBondContact O-N 2.9Å
171P92.5Very high91.9Very high28 Ų2850.4 Ų50.418%0.18224%0.24CC..Hα-helixtrans-56.2-36.9-176.7-28.135000114.8Y175 C290 L294 F298P171-Y175 WeakPolarHBondContact O-CB 3.4Å; P171-Y175 PolarHBondContact O-N 3.37Å; P171-C290 HydrophobicContact CB-CB 4.09Å; P171-C290 PolarHBondContact O-SG 2.93Å; P171-L294 HydrophobicContact CB-CB 4.21Å; P171-L294 HydrophobicContact CB-CD1 4.05Å; P171-L294 WeakPolarHBondContact O-CD1 3.48Å; P171-F298 HydrophobicContact CB-CE2 4.26Å; P171-F298 HydrophobicContact CG-CD1 4.41Å; P171-F298 HydrophobicContact CG-CD2 4.17Å; P171-F298 HydrophobicContact CG-CE1 4.22Å; P171-F298 HydrophobicContact CG-CE2 3.96Å; P171-F298 HydrophobicContact CG-CG 4.37Å; P171-F298 HydrophobicContact CG-CZ 3.98Å
172D91.3Very high92.1Very high76 Ų7650.4 Ų50.441%0.40624%0.24SC..Hα-helixtrans-71.3-39.4177.4-165.473.8000111.6E170 Y175 Q176 R287E170-D172 VanDerWaalsContact C-N 3.29Å; E170-D172 PolarHBondContact O-N 2.94Å; D172-Y175 WeakPolarHBondContact O-CB 3.4Å; D172-Y175 PolarHBondContact O-N 3.24Å; D172-Q176 WeakPolarHBondContact O-CG 3.44Å; D172-Q176 PolarHBondContact O-N 3.32Å; D172-R287 WeakPolarHBondContact OD1-CD 3.36Å; D172-R287 IonicContact OD1-NE 3.52Å; D172-R287 PolarHBondContact OD1-NE 3.18Å
173E92.1Very high92.3Very high106 Ų10652.4 Ų52.450%0.49525%0.253SS..Hα-helixtrans-63-43.8175.2-64.8-175.8164.400111.3E170 Y175 Q176 T177E170-E173 HydrophobicContact CB-CG 4.22Å; E170-E173 PolarHBondContact O-N 2.89Å; E173-Y175 VanDerWaalsContact C-N 3.33Å; E173-Y175 PolarHBondContact O-N 2.85Å; E173-Q176 PolarHBondContact O-N 3.31Å; E173-T177 PolarHBondContact O-N 3.23Å; E173-T177 PolarHBondContact O-OG1 2.87Å
174L93.6Very high92.4Very high0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-62.6-40176-175.455.5000111.9M160 A163 L164 L169 E170 T177 F178 L294 F298M160-L174 HydrophobicContact CE-CD2 3.72Å; A163-L174 HydrophobicContact CB-CD1 3.73Å; L164-L174 HydrophobicContact CD2-CD2 3.96Å; L169-L174 HydrophobicContact CB-CB 4.46Å; L169-L174 HydrophobicContact CD1-CD1 4.37Å; E170-L174 PolarHBondContact O-N 2.9Å; L174-T177 PolarHBondContact O-N 3.45Å; L174-F178 HydrophobicContact CD1-CD1 4.37Å; L174-F178 HydrophobicContact CD1-CE1 3.65Å; L174-F178 HydrophobicContact CD1-CE2 4.23Å; L174-F178 HydrophobicContact CD1-CZ 3.58Å; L174-F178 HydrophobicContact CD2-CE2 4.35Å; L174-F178 HydrophobicContact CD2-CZ 4.08Å; L174-F178 HydrophobicContact CG-CE1 4.17Å; L174-F178 HydrophobicContact CG-CE2 3.81Å; L174-F178 HydrophobicContact CG-CZ 3.62Å; L174-F178 WeakPolarHBondContact O-CD2 3.36Å; L174-F178 VanDerWaalsContact O-CG 3.31Å; L174-F178 WeakPolarHBondContact O-CG 3.49Å; L174-F178 PolarHBondContact O-N 3.07Å; L174-L294 HydrophobicContact CD2-CD2 4.39Å; L174-F298 HydrophobicContact CD2-CE2 4.1Å; L174-F298 HydrophobicContact CD2-CZ 4.2Å
175Y95.3Very high92.5Very high2 Ų255.8 Ų55.81%0.00827%0.27CS..Hα-helixtrans-61.8-44.5172.9171.2-92000112.1P171 D172 E173 T177 F178 Q179 W261 G262 F289P171-Y175 WeakPolarHBondContact O-CB 3.4Å; P171-Y175 PolarHBondContact O-N 3.37Å; D172-Y175 WeakPolarHBondContact O-CB 3.4Å; D172-Y175 PolarHBondContact O-N 3.24Å; E173-Y175 VanDerWaalsContact C-N 3.33Å; E173-Y175 PolarHBondContact O-N 2.85Å; Y175-T177 VanDerWaalsContact C-N 3.31Å; Y175-T177 PolarHBondContact O-N 3.47Å; Y175-F178 WeakPolarHBondContact O-CB 3.37Å; Y175-F178 PolarHBondContact O-N 2.87Å; Y175-Q179 PolarHBondContact O-N 2.82Å; Y175-W261 HydrophobicContact CD2-CE3 4.32Å; Y175-W261 HydrophobicContact CD2-CH2 4.04Å; Y175-W261 AromaticContact CD2-CZ3 3.89Å; Y175-W261 HydrophobicContact CD2-CZ3 3.89Å; Y175-W261 AromaticContact CE2-CD2 3.9Å; Y175-W261 HydrophobicContact CE2-CD2 3.9Å; Y175-W261 AromaticContact CE2-CE2 3.98Å; Y175-W261 AromaticContact CE2-CE3 3.74Å; Y175-W261 HydrophobicContact CE2-CE3 3.74Å; Y175-W261 AromaticContact CE2-CH2 3.74Å; Y175-W261 HydrophobicContact CE2-CH2 3.74Å; Y175-W261 AromaticContact CE2-CZ2 3.9Å; Y175-W261 HydrophobicContact CE2-CZ2 3.9Å; Y175-W261 AromaticContact CE2-CZ3 3.66Å; Y175-W261 HydrophobicContact CE2-CZ3 3.66Å; Y175-G262 WeakPolarHBondContact OH-CA 3.31Å; Y175-G262 PolarHBondContact OH-N 3.35Å; Y175-G262 VanDerWaalsContact OH-N 3.16Å; Y175-F289 HydrophobicContact CD2-CB 3.93Å; Y175-F289 AromaticContact CD2-CD1 3.5Å; Y175-F289 HydrophobicContact CD2-CD1 3.5Å; Y175-F289 VanDerWaalsContact CD2-CD1 3.5Å; Y175-F289 HydrophobicContact CD2-CE1 4.2Å; Y175-F289 AromaticContact CD2-CG 3.87Å; Y175-F289 HydrophobicContact CD2-CG 3.87Å; Y175-F289 HydrophobicContact CE2-CB 4.11Å; Y175-F289 HydrophobicContact CE2-CD1 4.33Å; Y175-F289 HydrophobicContact CE2-CG 4.28Å; Y175-F289 HydrophobicContact CG-CD1 4.34Å
176Q93.9Very high92.8Very high51 Ų5155 Ų5524%0.23827%0.267CS..Hα-helixtrans-61.5-40.9176.2-67.6-60.6-30.100111.4D172 E173 F178 Q179 R180D172-Q176 WeakPolarHBondContact O-CG 3.44Å; D172-Q176 PolarHBondContact O-N 3.32Å; E173-Q176 PolarHBondContact O-N 3.31Å; Q176-F178 VanDerWaalsContact C-N 3.35Å; Q176-F178 PolarHBondContact O-N 3.43Å; Q176-Q179 PolarHBondContact O-N 3.09Å; Q176-R180 VanDerWaalsContact O-CG 3.31Å; Q176-R180 WeakPolarHBondContact O-CG 3Å; Q176-R180 PolarHBondContact O-N 2.94Å
177T93Very high92.9Very high17 Ų1752.9 Ų52.910%0.10426%0.262CS..Hα-helixtrans-59-46.1174.3-62.20000111.3C131 E173 L174 Y175 Q179 R180 I181C131-T177 WeakPolarHBondContact O-CG2 3.24Å; E173-T177 PolarHBondContact O-N 3.23Å; E173-T177 PolarHBondContact O-OG1 2.87Å; L174-T177 PolarHBondContact O-N 3.45Å; Y175-T177 VanDerWaalsContact C-N 3.31Å; Y175-T177 PolarHBondContact O-N 3.47Å; T177-Q179 PolarHBondContact O-N 3.46Å; T177-R180 PolarHBondContact O-N 3.4Å; T177-I181 HydrophobicContact CG2-CD1 4.06Å; T177-I181 WeakPolarHBondContact O-CG1 3.22Å; T177-I181 PolarHBondContact O-N 2.67Å
178F95.6Very high92.9Very high0 Ų050.7 Ų50.70%025%0.25CS..Hα-helixtrans-60-45175.1-64.9-22.5000112.6C131 M157 M160 L174 Y175 Q176 R180 I181 V182 F214 W261 F289 L294C131-F178 HydrophobicContact CB-CE1 4.31Å; M157-F178 HydrophobicContact CE-CB 4.16Å; M157-F178 VanDerWaalsContact CE-O 3.25Å; M157-F178 WeakPolarHBondContact CE-O 3.36Å; M157-F178 HydrophobicContact SD-CB 3.87Å; M157-F178 HydrophobicContact SD-CD1 3.34Å; M157-F178 WeakPolarHBondContact SD-CD1 3.38Å; M157-F178 HydrophobicContact SD-CE1 4.09Å; M157-F178 HydrophobicContact SD-CG 3.8Å; M160-F178 HydrophobicContact CE-CE2 3.93Å; M160-F178 HydrophobicContact CE-CZ 3.73Å; M160-F178 HydrophobicContact CG-CZ 4.1Å; M160-F178 HydrophobicContact SD-CE2 4.47Å; M160-F178 HydrophobicContact SD-CZ 3.87Å; L174-F178 HydrophobicContact CD1-CD1 4.37Å; L174-F178 HydrophobicContact CD1-CE1 3.65Å; L174-F178 HydrophobicContact CD1-CE2 4.23Å; L174-F178 HydrophobicContact CD1-CZ 3.58Å; L174-F178 HydrophobicContact CD2-CE2 4.35Å; L174-F178 HydrophobicContact CD2-CZ 4.08Å; L174-F178 HydrophobicContact CG-CE1 4.17Å; L174-F178 HydrophobicContact CG-CE2 3.81Å; L174-F178 HydrophobicContact CG-CZ 3.62Å; L174-F178 WeakPolarHBondContact O-CD2 3.36Å; L174-F178 VanDerWaalsContact O-CG 3.31Å; L174-F178 WeakPolarHBondContact O-CG 3.49Å; L174-F178 PolarHBondContact O-N 3.07Å; Y175-F178 WeakPolarHBondContact O-CB 3.37Å; Y175-F178 PolarHBondContact O-N 2.87Å; Q176-F178 VanDerWaalsContact C-N 3.35Å; Q176-F178 PolarHBondContact O-N 3.43Å; F178-R180 VanDerWaalsContact C-N 3.34Å; F178-R180 PolarHBondContact O-N 3.48Å; F178-I181 PolarHBondContact O-N 3.08Å; F178-V182 WeakPolarHBondContact O-CG2 3.43Å; F178-V182 PolarHBondContact O-N 3.16Å; F178-F214 HydrophobicContact CB-CE1 3.89Å; F178-F214 HydrophobicContact CD1-CD1 4.13Å; F178-F214 HydrophobicContact CD1-CE1 4.25Å; F178-F214 AromaticContact CD2-CD1 3.77Å; F178-F214 HydrophobicContact CD2-CD1 3.77Å; F178-F214 AromaticContact CD2-CE1 3.73Å; F178-F214 HydrophobicContact CD2-CE1 3.73Å; F178-F214 HydrophobicContact CE1-CD1 4.2Å; F178-F214 AromaticContact CE2-CD1 3.84Å; F178-F214 HydrophobicContact CE2-CD1 3.84Å; F178-F214 HydrophobicContact CE2-CE1 4.28Å; F178-F214 AromaticContact CG-CD1 3.92Å; F178-F214 HydrophobicContact CG-CD1 3.92Å; F178-F214 AromaticContact CG-CE1 3.7Å; F178-F214 HydrophobicContact CG-CE1 3.7Å; F178-F214 HydrophobicContact CZ-CD1 4.06Å; F178-W261 HydrophobicContact CB-CH2 3.89Å; F178-F289 HydrophobicContact CD2-CE1 4.01Å; F178-F289 HydrophobicContact CD2-CZ 4.32Å; F178-F289 HydrophobicContact CE2-CE1 4.14Å; F178-F289 HydrophobicContact CE2-CZ 4.39Å; F178-L294 HydrophobicContact CE2-CD2 4.4Å
179Q95.6Very high93Very high70 Ų7043.7 Ų43.733%0.32722%0.218SC..Hα-helixtrans-59.3-45178.3-177.1172.8-8.500111.6Y175 Q176 T177 I181 V182 E183Y175-Q179 PolarHBondContact O-N 2.82Å; Q176-Q179 PolarHBondContact O-N 3.09Å; T177-Q179 PolarHBondContact O-N 3.46Å; Q179-I181 PolarHBondContact O-N 2.91Å; Q179-V182 PolarHBondContact O-N 3.36Å; Q179-E183 WeakPolarHBondContact O-CB 3.47Å; Q179-E183 PolarHBondContact O-N 2.99Å
180R93.8Very high92.9Very high77 Ų7745.9 Ų45.929%0.29124%0.235SC..Hα-helixtrans-62.9-40.2176.8-68.1178.5-138.7153.41.6112.7Q176 T177 F178 E183 N184 M777Q176-R180 VanDerWaalsContact O-CG 3.31Å; Q176-R180 WeakPolarHBondContact O-CG 3Å; Q176-R180 PolarHBondContact O-N 2.94Å; T177-R180 PolarHBondContact O-N 3.4Å; F178-R180 VanDerWaalsContact C-N 3.34Å; F178-R180 PolarHBondContact O-N 3.48Å; R180-E183 PolarHBondContact O-N 2.98Å; R180-N184 WeakPolarHBondContact O-CB 3.01Å; R180-N184 PolarHBondContact O-N 3.34Å; R180-M777 VanDerWaalsContact CD-CE 3.47Å; R180-M777 VanDerWaalsContact NH1-CB 3.28Å; R180-M777 PolarHBondContact NH1-O 2.81Å
181I94.7Very high92.5Very high6 Ų644 Ų443%0.03123%0.232CC..Hα-helixtrans-63.1-44.5176.8-68.4168.3000110.4V129 L155 M157 T177 F178 Q179 E183 N184 V185V129-I181 HydrophobicContact CB-CG2 4.27Å; V129-I181 HydrophobicContact CG1-CD1 4.41Å; V129-I181 HydrophobicContact CG1-CG2 3.68Å; L155-I181 HydrophobicContact CD2-CG2 4.21Å; M157-I181 HydrophobicContact CE-CB 3.9Å; M157-I181 HydrophobicContact CE-CG2 3.81Å; M157-I181 HydrophobicContact CG-CG2 4.34Å; M157-I181 HydrophobicContact SD-CB 4.38Å; M157-I181 HydrophobicContact SD-CD1 4.37Å; M157-I181 HydrophobicContact SD-CG2 4.32Å; T177-I181 HydrophobicContact CG2-CD1 4.06Å; T177-I181 WeakPolarHBondContact O-CG1 3.22Å; T177-I181 PolarHBondContact O-N 2.67Å; F178-I181 PolarHBondContact O-N 3.08Å; Q179-I181 PolarHBondContact O-N 2.91Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 2.87Å; I181-N184 PolarHBondContact O-N 3.32Å; I181-V185 WeakPolarHBondContact O-CG2 2.99Å; I181-V185 PolarHBondContact O-N 3.06Å; I181-V185 VanDerWaalsContact O-N 3.08Å
182V96.3Very high92Very high13 Ų1347.1 Ų47.18%0.07924%0.241CC..Hα-helixtrans-59.5-45.1175.1174.40000110.8M157 F178 Q179 V185 N186 I205 P207 V212M157-V182 HydrophobicContact CE-CG2 3.41Å; M157-V182 VanDerWaalsContact CE-CG2 3.41Å; F178-V182 WeakPolarHBondContact O-CG2 3.43Å; F178-V182 PolarHBondContact O-N 3.16Å; Q179-V182 PolarHBondContact O-N 3.36Å; V182-V185 PolarHBondContact O-N 3.31Å; V182-N186 WeakPolarHBondContact O-CB 3.46Å; V182-N186 PolarHBondContact O-N 3.14Å; V182-N186 PolarHBondContact O-ND2 3.3Å; V182-I205 HydrophobicContact CG1-CD1 4.26Å; V182-I205 HydrophobicContact CG1-CG1 4.24Å; V182-P207 HydrophobicContact CG2-CG 3.92Å; V182-V212 HydrophobicContact CG2-CG1 4.44Å; V182-V212 HydrophobicContact CG2-CG2 4.25Å
183E94.9Very high91.3Very high115 Ų11544.2 Ų44.254%0.53723%0.229SC..Hα-helixtrans-61.8-49179.5-172.6168.8-166.400111.8Q179 R180 I181 V185 N186 V187Q179-E183 WeakPolarHBondContact O-CB 3.47Å; Q179-E183 PolarHBondContact O-N 2.99Å; R180-E183 PolarHBondContact O-N 2.98Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 2.87Å; E183-V185 VanDerWaalsContact C-N 3.33Å; E183-V185 PolarHBondContact O-N 2.86Å; E183-N186 CarbonylContact O-C 3.48Å; E183-N186 PolarHBondContact O-N 3.08Å; E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 2.9Å
184N91.8Very high90.4Very high87 Ų8743 Ų4347%0.46522%0.223SC..Hα-helixtrans-58.6-42.8177.6-75.5-2.8000112.3V135 R180 I181 N186 V187 I188V135-N184 HydrophobicContact CG2-CB 4.11Å; R180-N184 WeakPolarHBondContact O-CB 3.01Å; R180-N184 PolarHBondContact O-N 3.34Å; I181-N184 PolarHBondContact O-N 3.32Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N184-V187 PolarHBondContact O-N 2.74Å; N184-I188 WeakPolarHBondContact O-CG1 3.34Å; N184-I188 PolarHBondContact O-N 3.03Å
185V93.4Very high89.2Confident1 Ų149.8 Ų49.81%0.00626%0.26CS..Hα-helixtrans-64.7-41.2175.5173.90000111V135 L143 L155 I181 V182 E183 I188 I189 I205V135-V185 HydrophobicContact CG2-CG2 3.55Å; L143-V185 HydrophobicContact CD2-CG1 3.91Å; L155-V185 HydrophobicContact CD1-CG2 4.4Å; L155-V185 HydrophobicContact CD2-CG2 4.41Å; I181-V185 WeakPolarHBondContact O-CG2 2.99Å; I181-V185 PolarHBondContact O-N 3.06Å; I181-V185 VanDerWaalsContact O-N 3.08Å; V182-V185 PolarHBondContact O-N 3.31Å; E183-V185 VanDerWaalsContact C-N 3.33Å; E183-V185 PolarHBondContact O-N 2.86Å; V185-I188 PolarHBondContact O-N 2.77Å; V185-I189 HydrophobicContact CG1-CD1 3.84Å; V185-I189 HydrophobicContact CG1-CG1 4.46Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 3Å; V185-I205 HydrophobicContact CB-CD1 3.73Å; V185-I205 HydrophobicContact CB-CG1 4.37Å; V185-I205 HydrophobicContact CG1-CD1 3.51Å; V185-I205 HydrophobicContact CG1-CG1 3.94Å; V185-I205 HydrophobicContact CG2-CD1 4.38Å
186N94.5Very high87.7Confident30 Ų3055.7 Ų55.716%0.1629%0.287CS..Hα-helixtrans-67.7-32.6177.7-79-23.9000113.1V182 E183 N184 I188 I189 S190 M204 I205V182-N186 WeakPolarHBondContact O-CB 3.46Å; V182-N186 PolarHBondContact O-N 3.14Å; V182-N186 PolarHBondContact O-ND2 3.3Å; E183-N186 CarbonylContact O-C 3.48Å; E183-N186 PolarHBondContact O-N 3.08Å; N184-N186 VanDerWaalsContact C-N 3.35Å; N186-I188 VanDerWaalsContact C-N 3.34Å; N186-I189 PolarHBondContact O-N 2.56Å; N186-S190 WeakPolarHBondContact O-CB 3.38Å; N186-S190 PolarHBondContact O-N 2.78Å; N186-S190 PolarHBondContact O-OG 3.15Å; N186-M204 WeakPolarHBondContact OD1-CA 3.48Å; N186-M204 WeakPolarHBondContact OD1-CB 3.37Å; N186-I205 PolarHBondContact ND2-O 3.5Å; N186-I205 WeakPolarHBondContact OD1-CG1 3.41Å; N186-I205 PolarHBondContact OD1-N 3.24Å; N186-I205 PolarHBondContact OD1-O 3.25Å
187V91.4Very high86.5Confident75 Ų7557.2 Ų57.246%0.45532%0.317SS..Hα-helixtrans-61.3-43.9171.8169.20000110.6E183 N184 S190 T191E183-V187 WeakPolarHBondContact O-CG2 3.46Å; E183-V187 PolarHBondContact O-N 2.9Å; N184-V187 PolarHBondContact O-N 2.74Å; V187-S190 WeakPolarHBondContact CA-OG 3.27Å; V187-S190 PolarHBondContact O-N 3.14Å; V187-S190 PolarHBondContact O-OG 3.13Å; V187-T191 VanDerWaalsContact O-CB 3.29Å; V187-T191 WeakPolarHBondContact O-CB 3.13Å; V187-T191 PolarHBondContact O-N 2.9Å; V187-T191 PolarHBondContact O-OG1 2.74Å
188I87.1Confident85.7Confident12 Ų1257.4 Ų57.46%0.06232%0.323CS..Hα-helixtrans-62.6-46.5175.5-63.5163.6000109.9V135 E140 L143 N184 V185 N186 S190 T191 Y192V135-I188 HydrophobicContact CG1-CD1 3.68Å; E140-I188 HydrophobicContact CB-CD1 3.86Å; E140-I188 HydrophobicContact CG-CD1 3.81Å; E140-I188 HydrophobicContact CG-CG1 4.03Å; E140-I188 HydrophobicContact CG-CG2 4.15Å; L143-I188 HydrophobicContact CD2-CB 4.31Å; L143-I188 HydrophobicContact CD2-CG2 3.91Å; L143-I188 HydrophobicContact CG-CG2 4.17Å; N184-I188 WeakPolarHBondContact O-CG1 3.34Å; N184-I188 PolarHBondContact O-N 3.03Å; V185-I188 PolarHBondContact O-N 2.77Å; N186-I188 VanDerWaalsContact C-N 3.34Å; I188-S190 PolarHBondContact O-N 3.27Å; I188-T191 PolarHBondContact O-N 2.83Å; I188-Y192 HydrophobicContact CG2-CD2 3.83Å; I188-Y192 HydrophobicContact CG2-CE2 4.1Å; I188-Y192 VanDerWaalsContact O-CD2 3.27Å; I188-Y192 WeakPolarHBondContact O-CD2 3.44Å; I188-Y192 PolarHBondContact O-N 2.96Å; I188-Y192 VanDerWaalsContact O-N 3.13Å
189I89.3Confident84.9Confident3 Ų360.8 Ų60.82%0.01534%0.344CS..Hα-helixtrans-60.4-43.7178.4-69.3167.8000111.5L143 I147 P153 V185 N186 T191 G193 I203 M204 I205L143-I189 HydrophobicContact CD2-CG1 4.36Å; I147-I189 HydrophobicContact CD1-CB 4.43Å; I147-I189 HydrophobicContact CD1-CG1 4.02Å; P153-I189 HydrophobicContact CG-CD1 3.78Å; P153-I189 HydrophobicContact CG-CG1 4.4Å; V185-I189 HydrophobicContact CG1-CD1 3.84Å; V185-I189 HydrophobicContact CG1-CG1 4.46Å; V185-I189 WeakPolarHBondContact O-CG1 3.34Å; V185-I189 PolarHBondContact O-N 3Å; N186-I189 PolarHBondContact O-N 2.56Å; I189-T191 VanDerWaalsContact C-N 3.33Å; I189-G193 WeakPolarHBondContact O-CA 3.26Å; I189-G193 PolarHBondContact O-N 2.79Å; I189-I203 HydrophobicContact CG2-CB 4.47Å; I189-I203 HydrophobicContact CG2-CD1 3.62Å; I189-I203 HydrophobicContact CG2-CG1 3.57Å; I189-M204 HydrophobicContact CG2-CG 4.39Å; I189-I205 HydrophobicContact CD1-CG1 4.47Å; I189-I205 HydrophobicContact CD1-CG2 4.28Å
190S88.7Confident84.3Confident67 Ų6758 Ų5847%0.46933%0.331SS..Hα-helixtrans-71.8-28.6179.762.50000113N186 V187 I188N186-S190 WeakPolarHBondContact O-CB 3.38Å; N186-S190 PolarHBondContact O-N 2.78Å; N186-S190 PolarHBondContact O-OG 3.15Å; V187-S190 WeakPolarHBondContact CA-OG 3.27Å; V187-S190 PolarHBondContact O-N 3.14Å; V187-S190 PolarHBondContact O-OG 3.13Å; I188-S190 PolarHBondContact O-N 3.27Å
191T83.8Confident84Confident89 Ų8955.5 Ų55.555%0.54633%0.33SS..Hα-helixtrans-74.4-39.7-178.9-59.40000111.7V187 I188 I189V187-T191 VanDerWaalsContact O-CB 3.29Å; V187-T191 WeakPolarHBondContact O-CB 3.13Å; V187-T191 PolarHBondContact O-N 2.9Å; V187-T191 PolarHBondContact O-OG1 2.74Å; I188-T191 PolarHBondContact O-N 2.83Å; I189-T191 VanDerWaalsContact C-N 3.33Å
192Y82.4Confident83.7Confident92 Ų9259.3 Ų59.336%0.36135%0.35SS..Hα-helixtrans-110.3-12.8-173.6-58-68.6000114.2E140 R144 I147 I188E140-Y192 PolarHBondContact OE1-OH 2.79Å; R144-Y192 HydrophobicContact CB-CD2 4.08Å; R144-Y192 HydrophobicContact CB-CE2 4.29Å; R144-Y192 HydrophobicContact CB-CG 4.37Å; R144-Y192 VanDerWaalsContact CD-CE1 3.41Å; R144-Y192 VanDerWaalsContact CD-CZ 3.48Å; R144-Y192 HydrophobicContact CG-CD1 3.8Å; R144-Y192 HydrophobicContact CG-CD2 3.87Å; R144-Y192 HydrophobicContact CG-CE1 4.03Å; R144-Y192 HydrophobicContact CG-CE2 4.1Å; R144-Y192 HydrophobicContact CG-CG 3.71Å; I147-Y192 WeakPolarHBondContact CG2-O 3.47Å; I188-Y192 HydrophobicContact CG2-CD2 3.83Å; I188-Y192 HydrophobicContact CG2-CE2 4.1Å; I188-Y192 VanDerWaalsContact O-CD2 3.27Å; I188-Y192 WeakPolarHBondContact O-CD2 3.44Å; I188-Y192 PolarHBondContact O-N 2.96Å; I188-Y192 VanDerWaalsContact O-N 3.13Å
193G77.2Confident83.5Confident16 Ų1659.4 Ų59.417%0.16535%0.35CS..SBendtrans-79155.8175.700000112.2I189I189-G193 WeakPolarHBondContact O-CA 3.26Å; I189-G193 PolarHBondContact O-N 2.79Å
194E72.1Confident83.4Confident80 Ų8057.8 Ų57.837%0.37434%0.344SS..PPolyproline II helixtrans-71.9151.9166.8-61.7169.6-179.500109R150 P199R150-E194 IonicContact CZ-OE1 2.65Å; R150-E194 IonicContact NE-OE1 2.82Å; R150-E194 PolarHBondContact NE-OE1 2.84Å; R150-E194 IonicContact NH2-OE1 3.46Å; R150-E194 PolarHBondContact NH2-OE1 3.04Å; R150-E194 IonicContact NH2-OE2 3.64Å; E194-P199 WeakPolarHBondContact OE2-CD 3.18Å; E194-P199 WeakPolarHBondContact OE2-CG 3.44Å
195D67.9Low83.6Confident142 Ų14253.8 Ų53.876%0.75932%0.322SS*.PPolyproline II helixtrans-54163.8-179.3-69.8-38.1000112.8G197 G198D195-G197 PolarHBondContact O-N 3.5Å; D195-G198 WeakPolarHBondContact O-CA 3.35Å; D195-G198 PolarHBondContact O-N 2.98Å
196E64.9Low83.7Confident126 Ų12656.3 Ų56.359%0.58934%0.336SS*.THydrogen-bonded Turntrans-56.1-23.2-179.8-72.3-162.3141.400114.4G198 N202E196-G198 VanDerWaalsContact C-N 3.3Å; E196-N202 HydrophobicContact CG-CB 4.24Å; E196-N202 VanDerWaalsContact OE1-CG 3.3Å; E196-N202 PolarHBondContact OE1-ND2 3.42Å
197G67.6Low83.7Confident84 Ų8455 Ų5587%0.86633%0.329SS*.THydrogen-bonded Turntrans-82.2-2.7173.500000114.7D195D195-G197 PolarHBondContact O-N 3.5Å
198G75.8Confident83.9Confident21 Ų2152.9 Ų52.922%0.21632%0.316CS..SBendtrans-71.4167179.300000113.3D195 E196 M200 G201D195-G198 WeakPolarHBondContact O-CA 3.35Å; D195-G198 PolarHBondContact O-N 2.98Å; E196-G198 VanDerWaalsContact C-N 3.3Å; G198-M200 PolarHBondContact O-N 3.34Å; G198-G201 PolarHBondContact O-N 2.95Å
199P79.1Confident84.2Confident70 Ų7056.6 Ų56.646%0.45534%0.335SS..THydrogen-bonded Turntrans-58.6-20.2-176.523.6-38000115.3E194E194-P199 WeakPolarHBondContact OE2-CD 3.18Å; E194-P199 WeakPolarHBondContact OE2-CG 3.44Å
200M83.1Confident84.4Confident11 Ų1156.5 Ų56.55%0.05434%0.335CS..THydrogen-bonded Turntrans-86.8-14.9174.5-65.3-164.6-70.900114.2R150 K152 G198 I203 Y367R150-M200 WeakPolarHBondContact CA-SD 3.25Å; R150-M200 HydrophobicContact CB-CG 4.32Å; R150-M200 HydrophobicContact CB-SD 3.63Å; R150-M200 HydrophobicContact CG-CE 4.33Å; R150-M200 HydrophobicContact CG-CG 4.42Å; R150-M200 HydrophobicContact CG-SD 3.98Å; K152-M200 WeakPolarHBondContact CE-O 3.42Å; K152-M200 PolarHBondContact NZ-O 3.25Å; G198-M200 PolarHBondContact O-N 3.34Å; M200-I203 HydrophobicContact CB-CG2 3.7Å; M200-I203 HydrophobicContact CE-CD1 3.83Å; M200-I203 HydrophobicContact SD-CG2 4.38Å; M200-Y367 HydrophobicContact CG-CD2 3.95Å; M200-Y367 HydrophobicContact CG-CE2 3.82Å; M200-Y367 HydrophobicContact SD-CE2 4.3Å
201G87.2Confident84.7Confident25 Ų2554 Ų5426%0.25832%0.317SS..  trans63.9-159.8-167.800000112.3G198 I203G198-G201 PolarHBondContact O-N 2.95Å; G201-I203 PolarHBondContact O-N 3.49Å
202N89.4Confident85.4Confident86 Ų8649.8 Ų49.846%0.4629%0.291SS..  trans-65.9118.6174.2-174.1-15.8000110.8E196 M204E196-N202 HydrophobicContact CG-CB 4.24Å; E196-N202 VanDerWaalsContact OE1-CG 3.3Å; E196-N202 PolarHBondContact OE1-ND2 3.42Å; N202-M204 VanDerWaalsContact OD1-CB 3.26Å; N202-M204 WeakPolarHBondContact OD1-CB 3.38Å; N202-M204 PolarHBondContact OD1-N 2.96Å
203I92.1Very high86.1Confident15 Ų1545.5 Ų45.58%0.07727%0.274CS..  trans-111.54.6178.554.6161000113.1I147 K152 I189 M200 G201I147-I203 HydrophobicContact CG2-CD1 4.37Å; K152-I203 HydrophobicContact CD-CG2 4.48Å; K152-I203 HydrophobicContact CG-CG2 4.27Å; I189-I203 HydrophobicContact CG2-CB 4.47Å; I189-I203 HydrophobicContact CG2-CD1 3.62Å; I189-I203 HydrophobicContact CG2-CG1 3.57Å; M200-I203 HydrophobicContact CB-CG2 3.7Å; M200-I203 HydrophobicContact CE-CD1 3.83Å; M200-I203 HydrophobicContact SD-CG2 4.38Å; G201-I203 PolarHBondContact O-N 3.49Å
204M93.4Very high87.1Confident82 Ų8244.7 Ų44.740%0.40427%0.266SS..  trans-62.9145.8175-64-175.9-17800110.4N186 I189 N202N186-M204 WeakPolarHBondContact OD1-CA 3.48Å; N186-M204 WeakPolarHBondContact OD1-CB 3.37Å; I189-M204 HydrophobicContact CG2-CG 4.39Å; N202-M204 VanDerWaalsContact OD1-CB 3.26Å; N202-M204 WeakPolarHBondContact OD1-CB 3.38Å; N202-M204 PolarHBondContact OD1-N 2.96Å
205I94.9Very high88.2Confident3 Ų340.9 Ų40.92%0.01525%0.249CC..  trans-85.8136.8173.757157.7000109.9P153 L155 V182 V185 N186 I189 V212P153-I205 HydrophobicContact CG-CG2 4.49Å; L155-I205 HydrophobicContact CB-CD1 3.71Å; L155-I205 HydrophobicContact CD2-CD1 3.33Å; L155-I205 HydrophobicContact CG-CD1 4.07Å; V182-I205 HydrophobicContact CG1-CD1 4.26Å; V182-I205 HydrophobicContact CG1-CG1 4.24Å; V185-I205 HydrophobicContact CB-CD1 3.73Å; V185-I205 HydrophobicContact CB-CG1 4.37Å; V185-I205 HydrophobicContact CG1-CD1 3.51Å; V185-I205 HydrophobicContact CG1-CG1 3.94Å; V185-I205 HydrophobicContact CG2-CD1 4.38Å; N186-I205 PolarHBondContact ND2-O 3.5Å; N186-I205 WeakPolarHBondContact OD1-CG1 3.41Å; N186-I205 PolarHBondContact OD1-N 3.24Å; N186-I205 PolarHBondContact OD1-O 3.25Å; I189-I205 HydrophobicContact CD1-CG1 4.47Å; I189-I205 HydrophobicContact CD1-CG2 4.28Å; I205-V212 HydrophobicContact CB-CG2 4.18Å; I205-V212 HydrophobicContact CD1-CG2 4.2Å
206D95.4Very high89.5Confident54 Ų5434.1 Ų34.129%0.28921%0.213SC..  trans-140.4121.2179.7-174.5-8.1000110.2V208 I209 G210 T211D206-V208 VanDerWaalsContact C-N 3.26Å; D206-V208 PolarHBondContact O-N 2.97Å; D206-V208 VanDerWaalsContact OD1-CB 3.3Å; D206-V208 WeakPolarHBondContact OD1-CB 3.38Å; D206-V208 PolarHBondContact OD1-N 2.92Å; D206-I209 HydrophobicContact CB-CB 4.23Å; D206-I209 HydrophobicContact CB-CD1 3.88Å; D206-I209 HydrophobicContact CB-CG1 3.96Å; D206-I209 PolarHBondContact O-N 3.35Å; D206-G210 PolarHBondContact O-N 2.98Å; D206-T211 PolarHBondContact N-OG1 3.1Å; D206-T211 PolarHBondContact O-N 3.14Å; D206-T211 PolarHBondContact O-OG1 2.72Å
207P95.8Very high90.7Very high2 Ų228.1 Ų28.11%0.01318%0.184CC..THydrogen-bonded Turntrans-54.9-39171.7-26.836.4000113.3V182 I209 G210 V212 F214 L225 W261V182-P207 HydrophobicContact CG2-CG 3.92Å; P207-I209 VanDerWaalsContact C-N 3.26Å; P207-I209 PolarHBondContact O-N 3.5Å; P207-G210 PolarHBondContact O-N 2.67Å; P207-V212 HydrophobicContact CB-CB 4.28Å; P207-V212 HydrophobicContact CB-CG2 4.48Å; P207-V212 HydrophobicContact CG-CB 4.01Å; P207-V212 HydrophobicContact CG-CG1 4.44Å; P207-V212 HydrophobicContact CG-CG2 3.84Å; P207-F214 HydrophobicContact CB-CZ 4.34Å; P207-F214 HydrophobicContact CG-CZ 4.39Å; P207-L225 HydrophobicContact CB-CD1 3.95Å; P207-L225 VanDerWaalsContact O-CD1 3.28Å; P207-L225 WeakPolarHBondContact O-CD1 3.34Å; P207-W261 HydrophobicContact CB-CD2 3.69Å; P207-W261 HydrophobicContact CB-CE3 3.98Å; P207-W261 HydrophobicContact CB-CG 4.06Å; P207-W261 HydrophobicContact CB-CZ2 4.26Å; P207-W261 HydrophobicContact CB-CZ3 4.37Å; P207-W261 HydrophobicContact CG-CD2 4.03Å; P207-W261 HydrophobicContact CG-CE3 4.43Å; P207-W261 HydrophobicContact CG-CH2 4.14Å; P207-W261 HydrophobicContact CG-CZ2 3.68Å; P207-W261 HydrophobicContact CG-CZ3 4.48Å
208V95.1Very high91.6Very high31 Ų3129 Ų2919%0.18817%0.169CC..THydrogen-bonded Turntrans-62.7-34.7-1781750000111.7D206 G210 M257 K258 W261D206-V208 VanDerWaalsContact C-N 3.26Å; D206-V208 PolarHBondContact O-N 2.97Å; D206-V208 VanDerWaalsContact OD1-CB 3.3Å; D206-V208 WeakPolarHBondContact OD1-CB 3.38Å; D206-V208 PolarHBondContact OD1-N 2.92Å; V208-G210 VanDerWaalsContact C-N 3.29Å; V208-M257 WeakPolarHBondContact O-CE 3.41Å; V208-K258 HydrophobicContact CG1-CB 4.21Å; V208-K258 HydrophobicContact CG1-CG 3.49Å; V208-K258 VanDerWaalsContact CG1-CG 3.49Å; V208-W261 HydrophobicContact CG2-CB 3.8Å; V208-W261 HydrophobicContact CG2-CG 4.08Å
209I92.1Very high92.2Very high89 Ų8928.8 Ų28.846%0.45616%0.162SC..THydrogen-bonded Turntrans-78.7-19.9178.4-60.1176.1000110.9D206 P207 T211 H357D206-I209 HydrophobicContact CB-CB 4.23Å; D206-I209 HydrophobicContact CB-CD1 3.88Å; D206-I209 HydrophobicContact CB-CG1 3.96Å; D206-I209 PolarHBondContact O-N 3.35Å; P207-I209 VanDerWaalsContact C-N 3.26Å; P207-I209 PolarHBondContact O-N 3.5Å; I209-T211 HydrophobicContact CB-CG2 4.45Å; I209-T211 HydrophobicContact CG2-CG2 4.15Å; I209-H357 PolarHBondContact O-CE1 3.35Å; I209-H357 PolarHBondContact O-NE2 3.09Å
210G94.1Very high92.7Very high2 Ų225.9 Ų25.92%0.02115%0.145CC..THydrogen-bonded Turntrans95.613.4-178.100000114.2D206 P207 V208 V212 M353 H357D206-G210 PolarHBondContact O-N 2.98Å; P207-G210 PolarHBondContact O-N 2.67Å; V208-G210 VanDerWaalsContact C-N 3.29Å; G210-V212 VanDerWaalsContact C-N 3.26Å; G210-V212 PolarHBondContact O-N 2.77Å; G210-M353 WeakPolarHBondContact O-CG 3.41Å; G210-H357 PolarHBondContact O-NE2 3.29Å
211T95.9Very high93.3Very high15 Ų1525.4 Ų25.49%0.09214%0.142CC..  trans-82.6-2.2178.460.40000114L155 D206 I209 M353 H357L155-T211 PolarHBondContact N-O 2.86Å; D206-T211 PolarHBondContact N-OG1 3.1Å; D206-T211 PolarHBondContact O-N 3.14Å; D206-T211 PolarHBondContact O-OG1 2.72Å; I209-T211 HydrophobicContact CB-CG2 4.45Å; I209-T211 HydrophobicContact CG2-CG2 4.15Å; T211-M353 VanDerWaalsContact C-SD 3.58Å; T211-H357 HydrophobicContact CG2-CB 4.21Å
212V97.9Very high93.7Very high0 Ų024.2 Ų24.20%013%0.13CC..EExtended strand (participates in β ladder)trans-120.7122.1178.7-174.40000109.5L155 M157 V182 I205 P207 G210 F214L155-V212 HydrophobicContact CB-CG1 4.46Å; L155-V212 HydrophobicContact CB-CG2 4.32Å; L155-V212 HydrophobicContact CD2-CG1 4.08Å; L155-V212 HydrophobicContact CD2-CG2 4.47Å; L155-V212 HydrophobicContact CG-CG1 4.38Å; L155-V212 CarbonylContact O-C 3.58Å; L155-V212 WeakPolarHBondContact O-CA 3.44Å; M157-V212 HydrophobicContact CE-CG1 3.86Å; M157-V212 HydrophobicContact CG-CG1 4.5Å; V182-V212 HydrophobicContact CG2-CG1 4.44Å; V182-V212 HydrophobicContact CG2-CG2 4.25Å; I205-V212 HydrophobicContact CB-CG2 4.18Å; I205-V212 HydrophobicContact CD1-CG2 4.2Å; P207-V212 HydrophobicContact CB-CB 4.28Å; P207-V212 HydrophobicContact CB-CG2 4.48Å; P207-V212 HydrophobicContact CG-CB 4.01Å; P207-V212 HydrophobicContact CG-CG1 4.44Å; P207-V212 HydrophobicContact CG-CG2 3.84Å; G210-V212 VanDerWaalsContact C-N 3.26Å; G210-V212 PolarHBondContact O-N 2.77Å; V212-F214 HydrophobicContact CB-CE2 4.45Å; V212-F214 HydrophobicContact CB-CZ 4.3Å; V212-F214 HydrophobicContact CG1-CE1 3.9Å; V212-F214 HydrophobicContact CG1-CE2 4.01Å; V212-F214 HydrophobicContact CG1-CZ 3.58Å
213G97.3Very high94.1Very high1 Ų120.1 Ų20.11%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-101.4152.2169.100000112.1L155 M156 M157 F223L155-G213 PolarHBondContact O-N 3.02Å; M156-G213 WeakPolarHBondContact CA-O 3.31Å; M157-G213 PolarHBondContact N-O 3.16Å; G213-F223 CarbonylContact C-O 3.54Å; G213-F223 WeakPolarHBondContact CA-O 3.18Å
214F97.5Very high94.3Very high0 Ų019.5 Ų19.50%011%0.105CC..EExtended strand (participates in β ladder)trans-129.9139.4178.5-51.6-90.5000109.7M157 M160 F178 P207 V212 A222 F223 W261M157-F214 HydrophobicContact CB-CD1 4.15Å; M157-F214 HydrophobicContact CE-CE1 3.86Å; M157-F214 HydrophobicContact CG-CD1 4.3Å; M157-F214 HydrophobicContact CG-CE1 4.44Å; M157-F214 HydrophobicContact SD-CD1 3.66Å; M157-F214 HydrophobicContact SD-CE1 3.46Å; M157-F214 WeakPolarHBondContact SD-CE1 3.46Å; M160-F214 HydrophobicContact SD-CB 4.35Å; F178-F214 HydrophobicContact CB-CE1 3.89Å; F178-F214 HydrophobicContact CD1-CD1 4.13Å; F178-F214 HydrophobicContact CD1-CE1 4.25Å; F178-F214 AromaticContact CD2-CD1 3.77Å; F178-F214 HydrophobicContact CD2-CD1 3.77Å; F178-F214 AromaticContact CD2-CE1 3.73Å; F178-F214 HydrophobicContact CD2-CE1 3.73Å; F178-F214 HydrophobicContact CE1-CD1 4.2Å; F178-F214 AromaticContact CE2-CD1 3.84Å; F178-F214 HydrophobicContact CE2-CD1 3.84Å; F178-F214 HydrophobicContact CE2-CE1 4.28Å; F178-F214 AromaticContact CG-CD1 3.92Å; F178-F214 HydrophobicContact CG-CD1 3.92Å; F178-F214 AromaticContact CG-CE1 3.7Å; F178-F214 HydrophobicContact CG-CE1 3.7Å; F178-F214 HydrophobicContact CZ-CD1 4.06Å; P207-F214 HydrophobicContact CB-CZ 4.34Å; P207-F214 HydrophobicContact CG-CZ 4.39Å; V212-F214 HydrophobicContact CB-CE2 4.45Å; V212-F214 HydrophobicContact CB-CZ 4.3Å; V212-F214 HydrophobicContact CG1-CE1 3.9Å; V212-F214 HydrophobicContact CG1-CE2 4.01Å; V212-F214 HydrophobicContact CG1-CZ 3.58Å; F214-A222 CarbonylContact O-C 3.59Å; F214-A222 VanDerWaalsContact O-CA 3.24Å; F214-A222 WeakPolarHBondContact O-CA 3.16Å; F214-F223 HydrophobicContact CB-CD1 4.39Å; F214-F223 HydrophobicContact CB-CE1 3.8Å; F214-F223 HydrophobicContact CB-CE2 4.04Å; F214-F223 HydrophobicContact CB-CZ 3.62Å; F214-F223 HydrophobicContact CD2-CD2 4.34Å; F214-F223 AromaticContact CD2-CE2 3.77Å; F214-F223 HydrophobicContact CD2-CE2 3.77Å; F214-F223 HydrophobicContact CD2-CZ 4.15Å; F214-F223 HydrophobicContact CG-CE2 4.23Å; F214-F223 HydrophobicContact CG-CZ 4.14Å; F214-F223 PolarHBondContact N-O 3.32Å; F214-F223 WeakPolarHBondContact O-CD1 3.4Å; F214-F223 PolarHBondContact O-N 3.25Å; F214-W261 HydrophobicContact CE1-CH2 4.38Å; F214-W261 HydrophobicContact CE1-CZ3 4.35Å; F214-W261 HydrophobicContact CE2-CZ3 4.48Å; F214-W261 HydrophobicContact CZ-CH2 4.02Å; F214-W261 AromaticContact CZ-CZ3 3.76Å; F214-W261 HydrophobicContact CZ-CZ3 3.76Å
215G96Very high94.4Very high0 Ų015.6 Ų15.60%09%0.086CC..EExtended strand (participates in β ladder)trans160.8-153.3173.300000115.8M156 M157 N158 K159 M160 W221M156-G215 VanDerWaalsContact CE-N 3.34Å; M157-G215 PolarHBondContact O-N 2.66Å; N158-G215 CarbonylContact C-O 3.6Å; N158-G215 WeakPolarHBondContact CA-O 3.48Å; K159-G215 PolarHBondContact N-O 2.97Å; M160-G215 VanDerWaalsContact CB-O 3.28Å; M160-G215 WeakPolarHBondContact CB-O 3.46Å; M160-G215 PolarHBondContact N-O 2.85Å; G215-W221 WeakPolarHBondContact CA-O 3.35Å
216S94.7Very high94.3Very high0 Ų015.8 Ų15.80%09%0.087CC..EExtended strand (participates in β ladder)trans-139.4111.9-178177.80000110.8N158 D161 L218 H219 G220 W221N158-S216 WeakPolarHBondContact OD1-CA 3.47Å; D161-S216 VanDerWaalsContact CG-OG 3.3Å; D161-S216 WeakPolarHBondContact OD1-CB 3.21Å; D161-S216 PolarHBondContact OD1-OG 3.2Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.4Å; S216-H219 PolarHBondContact O-N 2.92Å; S216-H219 PolarHBondContact OG-N 3.23Å; S216-G220 PolarHBondContact O-N 3.32Å; S216-W221 CarbonylContact C-O 3.52Å; S216-W221 PolarHBondContact N-O 3.41Å; S216-W221 PolarHBondContact O-N 3.24Å; S216-W221 VanDerWaalsContact O-N 3.1Å
217G90Very high94.1Very high0 Ų014.5 Ų14.50%08%0.079CC..THydrogen-bonded Turntrans-61.8-36.1172.300000112.4T34 N158 H219 G220T34-G217 VanDerWaalsContact CG2-C 3.4Å; T34-G217 VanDerWaalsContact CG2-O 3.3Å; T34-G217 WeakPolarHBondContact CG2-O 3.28Å; N158-G217 PolarHBondContact OD1-N 3.14Å; G217-H219 PolarHBondContact O-N 3.16Å; G217-G220 PolarHBondContact O-N 3.19Å; G217-G220 VanDerWaalsContact O-N 3.11Å
218L87.3Confident94Very high102 Ų10214.5 Ų14.553%0.5348%0.079SC..THydrogen-bonded Turntrans-61.9-46.3179.818064.1000111.7S216 G220S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.4Å; L218-G220 VanDerWaalsContact C-N 3.33Å
219H88.3Confident93.9Very high17 Ų1713 Ų138%0.0797%0.07CC..THydrogen-bonded Turntrans-81.8-14.9175.4-66.9-35000112.6D161 S216 G217 W221 R341D161-H219 IonicContact OD2-NE2 2.78Å; S216-H219 PolarHBondContact O-N 2.92Å; S216-H219 PolarHBondContact OG-N 3.23Å; G217-H219 PolarHBondContact O-N 3.16Å; H219-W221 VanDerWaalsContact CB-CD1 3.42Å; H219-R341 WeakPolarHBondContact O-CD 2.97Å; H219-R341 WeakPolarHBondContact O-CG 3.36Å; H219-R341 PolarHBondContact O-NE 3.37Å
220G89.7Confident93.7Very high9 Ų910.2 Ų10.29%0.0936%0.055CC..THydrogen-bonded Turntrans78.926.7175.400000113.7S216 G217 L218 A346S216-G220 PolarHBondContact O-N 3.32Å; G217-G220 PolarHBondContact O-N 3.19Å; G217-G220 VanDerWaalsContact O-N 3.11Å; L218-G220 VanDerWaalsContact C-N 3.33Å; G220-A346 WeakPolarHBondContact O-CB 3.39Å; G220-A346 PolarHBondContact O-N 2.96Å
221W94.6Very high93.4Very high0 Ų012.5 Ų12.50%07%0.066CC..EExtended strand (participates in β ladder)trans-121.7140.6175.570-85.8000111.3M160 L164 G215 S216 H219 F223 I297 F301 M340 L344M160-W221 HydrophobicContact CB-CH2 4.39Å; M160-W221 HydrophobicContact CB-CZ2 4.4Å; M160-W221 HydrophobicContact CE-CH2 4.42Å; M160-W221 HydrophobicContact CG-CH2 4.21Å; M160-W221 HydrophobicContact SD-CH2 3.57Å; M160-W221 VanDerWaalsContact SD-CH2 3.57Å; M160-W221 HydrophobicContact SD-CZ2 4.43Å; M160-W221 HydrophobicContact SD-CZ3 4.23Å; L164-W221 HydrophobicContact CD1-CH2 4.49Å; L164-W221 HydrophobicContact CD1-CZ2 4.36Å; G215-W221 WeakPolarHBondContact CA-O 3.35Å; S216-W221 CarbonylContact C-O 3.52Å; S216-W221 PolarHBondContact N-O 3.41Å; S216-W221 PolarHBondContact O-N 3.24Å; S216-W221 VanDerWaalsContact O-N 3.1Å; H219-W221 VanDerWaalsContact CB-CD1 3.42Å; W221-F223 HydrophobicContact CE3-CD1 4.22Å; W221-F223 AromaticContact CZ3-CD1 3.78Å; W221-F223 HydrophobicContact CZ3-CD1 3.78Å; W221-F223 AromaticContact CZ3-CE1 3.72Å; W221-F223 HydrophobicContact CZ3-CE1 3.72Å; W221-I297 HydrophobicContact CH2-CD1 4.49Å; W221-I297 HydrophobicContact CH2-CG2 4.11Å; W221-I297 HydrophobicContact CZ3-CD1 4.12Å; W221-F301 HydrophobicContact CZ2-CE2 4.11Å; W221-F301 AromaticContact CZ2-CZ 3.85Å; W221-F301 HydrophobicContact CZ2-CZ 3.85Å; W221-M340 HydrophobicContact CB-CB 3.88Å; W221-M340 HydrophobicContact CB-CE 4.48Å; W221-M340 HydrophobicContact CD2-CB 4.48Å; W221-M340 HydrophobicContact CD2-CE 3.34Å; W221-M340 HydrophobicContact CE3-CE 3.39Å; W221-M340 HydrophobicContact CG-CB 3.75Å; W221-M340 HydrophobicContact CG-CE 3.82Å; W221-M340 HydrophobicContact CG-CG 4.46Å; W221-M340 HydrophobicContact CH2-CE 4.03Å; W221-M340 HydrophobicContact CZ2-CE 4.01Å; W221-M340 HydrophobicContact CZ3-CE 3.72Å; W221-L344 CarbonylContact C-O 3.55Å; W221-L344 WeakPolarHBondContact CA-O 3.24Å; W221-L344 HydrophobicContact CB-CB 4.42Å; W221-L344 VanDerWaalsContact CB-O 3.25Å; W221-L344 WeakPolarHBondContact CB-O 3.39Å; W221-L344 HydrophobicContact CE3-CD1 4.18Å; W221-L344 HydrophobicContact CZ3-CD1 4.45Å
222A96.4Very high93Very high0 Ų013 Ų130%07%0.066CC..EExtended strand (participates in β ladder)trans-156.7157.8173.700000109.4M156 F214 L344 A346 A349M156-A222 HydrophobicContact CE-CB 3.43Å; M156-A222 VanDerWaalsContact CE-CB 3.43Å; M156-A222 HydrophobicContact SD-CB 4.17Å; F214-A222 CarbonylContact O-C 3.59Å; F214-A222 VanDerWaalsContact O-CA 3.24Å; F214-A222 WeakPolarHBondContact O-CA 3.16Å; A222-L344 PolarHBondContact N-O 2.8Å; A222-A346 HydrophobicContact CB-CB 3.75Å; A222-A349 HydrophobicContact CB-CB 4.3Å; A222-A349 WeakPolarHBondContact O-CB 3.23Å
223F96.9Very high92.5Very high0 Ų013.8 Ų13.80%07%0.07CC..EExtended strand (participates in β ladder)trans-144.4157.4177.267.3-89.5000112M160 G213 F214 W221 Q227 F228 F289 V293 I297 L344M160-F223 HydrophobicContact SD-CE1 4.27Å; G213-F223 CarbonylContact C-O 3.54Å; G213-F223 WeakPolarHBondContact CA-O 3.18Å; F214-F223 HydrophobicContact CB-CD1 4.39Å; F214-F223 HydrophobicContact CB-CE1 3.8Å; F214-F223 HydrophobicContact CB-CE2 4.04Å; F214-F223 HydrophobicContact CB-CZ 3.62Å; F214-F223 HydrophobicContact CD2-CD2 4.34Å; F214-F223 AromaticContact CD2-CE2 3.77Å; F214-F223 HydrophobicContact CD2-CE2 3.77Å; F214-F223 HydrophobicContact CD2-CZ 4.15Å; F214-F223 HydrophobicContact CG-CE2 4.23Å; F214-F223 HydrophobicContact CG-CZ 4.14Å; F214-F223 PolarHBondContact N-O 3.32Å; F214-F223 WeakPolarHBondContact O-CD1 3.4Å; F214-F223 PolarHBondContact O-N 3.25Å; W221-F223 HydrophobicContact CE3-CD1 4.22Å; W221-F223 AromaticContact CZ3-CD1 3.78Å; W221-F223 HydrophobicContact CZ3-CD1 3.78Å; W221-F223 AromaticContact CZ3-CE1 3.72Å; W221-F223 HydrophobicContact CZ3-CE1 3.72Å; F223-Q227 VanDerWaalsContact CA-OE1 3.23Å; F223-F228 HydrophobicContact CB-CD2 4.15Å; F223-F228 HydrophobicContact CB-CE2 3.81Å; F223-F228 HydrophobicContact CD1-CE2 4.08Å; F223-F228 AromaticContact CD2-CD2 3.57Å; F223-F228 HydrophobicContact CD2-CD2 3.57Å; F223-F228 AromaticContact CD2-CE2 3.46Å; F223-F228 HydrophobicContact CD2-CE2 3.46Å; F223-F228 VanDerWaalsContact CD2-CE2 3.46Å; F223-F228 HydrophobicContact CE2-CD2 4.19Å; F223-F228 AromaticContact CE2-CE2 3.99Å; F223-F228 HydrophobicContact CE2-CE2 3.99Å; F223-F228 AromaticContact CG-CD2 4Å; F223-F228 HydrophobicContact CG-CD2 4Å; F223-F228 AromaticContact CG-CE2 3.51Å; F223-F228 HydrophobicContact CG-CE2 3.51Å; F223-F228 HydrophobicContact CZ-CE2 4.48Å; F223-F289 HydrophobicContact CE2-CE2 4.43Å; F223-F289 HydrophobicContact CE2-CZ 4.4Å; F223-F289 HydrophobicContact CZ-CZ 4.4Å; F223-V293 HydrophobicContact CD2-CG1 4.28Å; F223-V293 HydrophobicContact CE2-CG1 3.43Å; F223-V293 VanDerWaalsContact CE2-CG1 3.43Å; F223-V293 HydrophobicContact CZ-CG1 3.59Å; F223-I297 HydrophobicContact CD1-CD1 4.35Å; F223-I297 HydrophobicContact CE1-CD1 3.7Å; F223-I297 HydrophobicContact CZ-CD1 4.15Å; F223-L344 HydrophobicContact CB-CD1 4.32Å; F223-L344 HydrophobicContact CB-CD2 4.18Å; F223-L344 HydrophobicContact CD1-CD1 4.08Å; F223-L344 HydrophobicContact CG-CD1 4.47Å
224T96.8Very high91.8Very high2 Ų216 Ų161%0.0129%0.089CC..EExtended strand (participates in β ladder)trans-112.5165.8162.5650000109.3K226 Q227 A349 M353T224-K226 PolarHBondContact O-N 3.32Å; T224-K226 PolarHBondContact OG1-N 2.61Å; T224-Q227 PolarHBondContact O-N 3.24Å; T224-A349 HydrophobicContact CG2-CB 4.45Å; T224-M353 HydrophobicContact CG2-CB 4.36Å; T224-M353 HydrophobicContact CG2-SD 4.47Å
225L95.3Very high90.9Very high0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-59.9-25.7173.1-71.7-174.9000112.8P207 F228 A229 M257 L260 W261 F289P207-L225 HydrophobicContact CB-CD1 3.95Å; P207-L225 VanDerWaalsContact O-CD1 3.28Å; P207-L225 WeakPolarHBondContact O-CD1 3.34Å; L225-F228 PolarHBondContact O-N 3.16Å; L225-A229 VanDerWaalsContact O-CB 3.23Å; L225-A229 WeakPolarHBondContact O-CB 3.3Å; L225-A229 PolarHBondContact O-N 3.29Å; L225-M257 HydrophobicContact CB-CE 4.31Å; L225-M257 HydrophobicContact CB-CG 4.39Å; L225-L260 HydrophobicContact CD2-CB 4.06Å; L225-L260 HydrophobicContact CD2-CD1 4.49Å; L225-W261 HydrophobicContact CD1-CB 3.6Å; L225-W261 HydrophobicContact CD1-CD2 4.47Å; L225-W261 HydrophobicContact CD1-CE3 4.33Å; L225-W261 HydrophobicContact CD1-CG 4.21Å; L225-F289 HydrophobicContact CD2-CD2 3.86Å; L225-F289 HydrophobicContact CD2-CE2 3.68Å
226K93.6Very high89.8Confident8 Ų824.7 Ų24.74%0.03513%0.127CC..Hα-helixtrans-60.5-49.1179.8-170.9-175.5171.4-149.10111.7D85 T224 F228 A229 E230 V253 M257 Q352 I356D85-K226 IonicContact OD1-NZ 2.6Å; D85-K226 PolarHBondContact OD1-NZ 3.42Å; D85-K226 IonicContact OD2-NZ 3.87Å; T224-K226 PolarHBondContact O-N 3.32Å; T224-K226 PolarHBondContact OG1-N 2.61Å; K226-F228 PolarHBondContact O-N 3.29Å; K226-A229 WeakPolarHBondContact O-CB 3.22Å; K226-A229 PolarHBondContact O-N 2.87Å; K226-A229 VanDerWaalsContact O-N 3.16Å; K226-E230 WeakPolarHBondContact CE-OE1 3.33Å; K226-E230 IonicContact NZ-OE1 3.83Å; K226-E230 WeakPolarHBondContact O-CG 3.49Å; K226-E230 PolarHBondContact O-N 2.88Å; K226-V253 HydrophobicContact CG-CG1 4.35Å; K226-M257 HydrophobicContact CB-CE 3.97Å; K226-M257 HydrophobicContact CB-SD 4.03Å; K226-M257 HydrophobicContact CG-SD 4.19Å; K226-Q352 HydrophobicContact CD-CG 4.42Å; K226-I356 HydrophobicContact CD-CD1 4.01Å
227Q91.8Very high88.4Confident27 Ų2726.8 Ų26.813%0.12614%0.144CC..Hα-helixtrans-61.7-44-178.4-68.9174.3-40.700111.8F223 T224 E230 M231F223-Q227 VanDerWaalsContact CA-OE1 3.23Å; T224-Q227 PolarHBondContact O-N 3.24Å; Q227-E230 PolarHBondContact O-N 2.78Å; Q227-M231 PolarHBondContact O-N 2.82Å
228F93.1Very high86.8Confident1 Ų131 Ų310%0.00418%0.179CC..Hα-helixtrans-65.3-41.1174.6-86-84.1000112.1F223 L225 K226 E230 M231 Y232 L260 V293 I297 W343 L344F223-F228 HydrophobicContact CB-CD2 4.15Å; F223-F228 HydrophobicContact CB-CE2 3.81Å; F223-F228 HydrophobicContact CD1-CE2 4.08Å; F223-F228 AromaticContact CD2-CD2 3.57Å; F223-F228 HydrophobicContact CD2-CD2 3.57Å; F223-F228 AromaticContact CD2-CE2 3.46Å; F223-F228 HydrophobicContact CD2-CE2 3.46Å; F223-F228 VanDerWaalsContact CD2-CE2 3.46Å; F223-F228 HydrophobicContact CE2-CD2 4.19Å; F223-F228 AromaticContact CE2-CE2 3.99Å; F223-F228 HydrophobicContact CE2-CE2 3.99Å; F223-F228 AromaticContact CG-CD2 4Å; F223-F228 HydrophobicContact CG-CD2 4Å; F223-F228 AromaticContact CG-CE2 3.51Å; F223-F228 HydrophobicContact CG-CE2 3.51Å; F223-F228 HydrophobicContact CZ-CE2 4.48Å; L225-F228 PolarHBondContact O-N 3.16Å; K226-F228 PolarHBondContact O-N 3.29Å; F228-E230 PolarHBondContact O-N 2.85Å; F228-M231 HydrophobicContact CD1-CE 3.44Å; F228-M231 VanDerWaalsContact CD1-CE 3.44Å; F228-M231 HydrophobicContact CE1-CE 3.73Å; F228-M231 HydrophobicContact CG-CE 4.38Å; F228-M231 PolarHBondContact O-N 3.11Å; F228-Y232 HydrophobicContact CB-CD2 4.37Å; F228-Y232 HydrophobicContact CB-CE2 4.35Å; F228-Y232 AromaticContact CD1-CE2 3.76Å; F228-Y232 HydrophobicContact CD1-CE2 3.76Å; F228-Y232 WeakPolarHBondContact O-CB 3.46Å; F228-Y232 WeakPolarHBondContact O-CD2 3.35Å; F228-Y232 PolarHBondContact O-N 3.42Å; F228-L260 HydrophobicContact CB-CD1 4.1Å; F228-V293 HydrophobicContact CB-CG2 4.42Å; F228-V293 HydrophobicContact CD1-CG2 4.24Å; F228-V293 HydrophobicContact CD2-CG1 4.07Å; F228-V293 HydrophobicContact CE1-CG1 4.32Å; F228-V293 HydrophobicContact CE2-CG1 3.85Å; F228-V293 HydrophobicContact CG-CG1 4.4Å; F228-V293 HydrophobicContact CG-CG2 4.16Å; F228-V293 HydrophobicContact CZ-CG1 3.98Å; F228-I297 HydrophobicContact CZ-CD1 4.35Å; F228-W343 HydrophobicContact CE1-CZ2 4.43Å; F228-W343 HydrophobicContact CZ-CZ2 4.43Å; F228-L344 HydrophobicContact CE2-CD1 4.07Å; F228-L344 HydrophobicContact CE2-CD2 4.04Å; F228-L344 HydrophobicContact CZ-CD1 4Å; F228-L344 HydrophobicContact CZ-CD2 4.23Å
229A92.3Very high85.1Confident0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-61.7-42177.100000112.1L225 K226 Y232 V233 V253 M256 M257 L260L225-A229 VanDerWaalsContact O-CB 3.23Å; L225-A229 WeakPolarHBondContact O-CB 3.3Å; L225-A229 PolarHBondContact O-N 3.29Å; K226-A229 WeakPolarHBondContact O-CB 3.22Å; K226-A229 PolarHBondContact O-N 2.87Å; K226-A229 VanDerWaalsContact O-N 3.16Å; A229-Y232 PolarHBondContact O-N 2.93Å; A229-V233 WeakPolarHBondContact O-CB 3.44Å; A229-V233 WeakPolarHBondContact O-CG2 3.44Å; A229-V233 PolarHBondContact O-N 3.43Å; A229-V253 HydrophobicContact CB-CG1 3.9Å; A229-M256 HydrophobicContact CB-CB 3.97Å; A229-M256 HydrophobicContact CB-CG 3.86Å; A229-M257 HydrophobicContact CB-CB 4.44Å; A229-M257 HydrophobicContact CB-CG 3.42Å; A229-M257 VanDerWaalsContact CB-CG 3.42Å; A229-L260 HydrophobicContact CB-CD1 3.95Å
230E89.4Confident83.2Confident30 Ų3036.7 Ų36.714%0.1421%0.214CC..Hα-helixtrans-63.3-45.9175.4-74.7178.8166.800112.2K226 Q227 F228 Y232 V233 A234 V253K226-E230 WeakPolarHBondContact CE-OE1 3.33Å; K226-E230 IonicContact NZ-OE1 3.83Å; K226-E230 WeakPolarHBondContact O-CG 3.49Å; K226-E230 PolarHBondContact O-N 2.88Å; Q227-E230 PolarHBondContact O-N 2.78Å; F228-E230 PolarHBondContact O-N 2.85Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 PolarHBondContact O-N 3.02Å; E230-V233 PolarHBondContact O-N 2.85Å; E230-A234 WeakPolarHBondContact O-CB 3.48Å; E230-A234 PolarHBondContact O-N 3.42Å; E230-V253 HydrophobicContact CG-CB 4.49Å; E230-V253 HydrophobicContact CG-CG1 3.8Å; E230-V253 HydrophobicContact CG-CG2 3.8Å
231M87.8Confident80.8Confident51 Ų5141 Ų4125%0.25125%0.249SC..Hα-helixtrans-58.3-46175.3179.9-178.354.100111.2Q227 F228 A234 K235Q227-M231 PolarHBondContact O-N 2.82Å; F228-M231 HydrophobicContact CD1-CE 3.44Å; F228-M231 VanDerWaalsContact CD1-CE 3.44Å; F228-M231 HydrophobicContact CE1-CE 3.73Å; F228-M231 HydrophobicContact CG-CE 4.38Å; F228-M231 PolarHBondContact O-N 3.11Å; M231-A234 PolarHBondContact O-N 3.08Å; M231-K235 HydrophobicContact CG-CD 4.3Å; M231-K235 WeakPolarHBondContact O-CG 3.21Å; M231-K235 PolarHBondContact O-N 2.83Å; M231-K235 VanDerWaalsContact O-N 3.07Å
232Y87.6Confident78.5Confident25 Ų2546 Ų4610%0.09828%0.28CS..Hα-helixtrans-72-41-178.6-76.6-54.9000112.7F228 A229 E230 A234 K235 F236 L260 L292F228-Y232 HydrophobicContact CB-CD2 4.37Å; F228-Y232 HydrophobicContact CB-CE2 4.35Å; F228-Y232 AromaticContact CD1-CE2 3.76Å; F228-Y232 HydrophobicContact CD1-CE2 3.76Å; F228-Y232 WeakPolarHBondContact O-CB 3.46Å; F228-Y232 WeakPolarHBondContact O-CD2 3.35Å; F228-Y232 PolarHBondContact O-N 3.42Å; A229-Y232 PolarHBondContact O-N 2.93Å; E230-Y232 VanDerWaalsContact C-N 3.34Å; E230-Y232 PolarHBondContact O-N 3.02Å; Y232-A234 VanDerWaalsContact C-N 3.25Å; Y232-A234 PolarHBondContact O-N 2.79Å; Y232-K235 PolarHBondContact O-N 2.78Å; Y232-K235 VanDerWaalsContact O-N 3.15Å; Y232-F236 HydrophobicContact CD1-CE2 4.39Å; Y232-F236 WeakPolarHBondContact O-CB 3.34Å; Y232-F236 WeakPolarHBondContact O-CD2 3.25Å; Y232-F236 PolarHBondContact O-N 2.94Å; Y232-L260 HydrophobicContact CD2-CD2 4.21Å; Y232-L260 HydrophobicContact CE2-CD2 4.49Å; Y232-L292 HydrophobicContact CE2-CB 3.82Å; Y232-L292 WeakPolarHBondContact CE2-O 3.45Å; Y232-L292 VanDerWaalsContact CZ-O 3.3Å; Y232-L292 PolarHBondContact OH-O 2.99Å
233V86.9Confident76.2Confident16 Ų1656.1 Ų56.110%0.09733%0.327CS..Hα-helixtrans-59.2-40.5174.7168.50000110.4A229 E230 F236 A237 K252 V253 M256A229-V233 WeakPolarHBondContact O-CB 3.44Å; A229-V233 WeakPolarHBondContact O-CG2 3.44Å; A229-V233 PolarHBondContact O-N 3.43Å; E230-V233 PolarHBondContact O-N 2.85Å; V233-F236 PolarHBondContact O-N 2.87Å; V233-A237 WeakPolarHBondContact O-CB 3.21Å; V233-A237 PolarHBondContact O-N 3.47Å; V233-K252 HydrophobicContact CG1-CB 4.24Å; V233-K252 HydrophobicContact CG2-CB 4.48Å; V233-V253 HydrophobicContact CB-CG2 4.48Å; V233-V253 HydrophobicContact CG2-CG2 4.32Å; V233-M256 HydrophobicContact CG2-CB 3.71Å; V233-M256 HydrophobicContact CG2-CE 4.29Å; V233-M256 HydrophobicContact CG2-CG 4.11Å
234A82.1Confident74.5Confident48 Ų4859.9 Ų59.940%0.39734%0.343SS..Hα-helixtrans-62.8-45.5174.500000112.2E230 M231 Y232 A237 A238E230-A234 WeakPolarHBondContact O-CB 3.48Å; E230-A234 PolarHBondContact O-N 3.42Å; M231-A234 PolarHBondContact O-N 3.08Å; Y232-A234 VanDerWaalsContact C-N 3.25Å; Y232-A234 PolarHBondContact O-N 2.79Å; A234-A237 PolarHBondContact O-N 2.84Å; A234-A238 WeakPolarHBondContact O-CB 3.27Å; A234-A238 PolarHBondContact O-N 3.44Å
235K79.6Confident73.1Confident102 Ų10261.9 Ų61.944%0.44336%0.364SS..Hα-helixtrans-64.7-38.6177.7-73.4177.5177.6175.60113.2M231 Y232M231-K235 HydrophobicContact CG-CD 4.3Å; M231-K235 WeakPolarHBondContact O-CG 3.21Å; M231-K235 PolarHBondContact O-N 2.83Å; M231-K235 VanDerWaalsContact O-N 3.07Å; Y232-K235 PolarHBondContact O-N 2.78Å; Y232-K235 VanDerWaalsContact O-N 3.15Å
236F72.9Confident71.9Confident81 Ų8165 Ų6536%0.35538%0.384SS..Hα-helixtrans-75.6-33.4175.9-75-67.6000112.3Y232 V233 K239 M256 F266Y232-F236 HydrophobicContact CD1-CE2 4.39Å; Y232-F236 WeakPolarHBondContact O-CB 3.34Å; Y232-F236 WeakPolarHBondContact O-CD2 3.25Å; Y232-F236 PolarHBondContact O-N 2.94Å; V233-F236 PolarHBondContact O-N 2.87Å; F236-K239 PolarHBondContact O-N 3.03Å; F236-M256 HydrophobicContact CD2-CE 3.67Å; F236-M256 HydrophobicContact CE2-CE 3.92Å; F236-F266 HydrophobicContact CZ-CE2 4.36Å; F236-F266 HydrophobicContact CZ-CZ 4.36Å
237A64.3Low71Confident44 Ų4468 Ų6836%0.36441%0.41SS..Hα-helixtrans-73.1-28.717600000113V233 A234 K239 G240V233-A237 WeakPolarHBondContact O-CB 3.21Å; V233-A237 PolarHBondContact O-N 3.47Å; A234-A237 PolarHBondContact O-N 2.84Å; A237-K239 PolarHBondContact O-N 2.8Å; A237-G240 CarbonylContact O-C 3.25Å; A237-G240 VanDerWaalsContact O-C 3.25Å; A237-G240 PolarHBondContact O-N 3.29Å; A237-G240 VanDerWaalsContact O-O 3.1Å
238A56.3Low70.4Confident89 Ų8970.8 Ų70.874%0.73642%0.424SS*.THydrogen-bonded Turntrans-60-15.1172.200000113.4A234A234-A238 WeakPolarHBondContact O-CB 3.27Å; A234-A238 PolarHBondContact O-N 3.44Å
239K52.2Low69.8Low185 Ų18574.7 Ų74.780%0.80444%0.438SS*.THydrogen-bonded Turntrans-89.3-0.4172.8-65-174.7176.2-177.10114.4F236 A237F236-K239 PolarHBondContact O-N 3.03Å; A237-K239 PolarHBondContact O-N 2.8Å
240G47.1Very low69.3Low53 Ų5375.3 Ų75.355%0.54644%0.442SS..SBendtrans-167.994.6178.600000111.6A237A237-G240 CarbonylContact O-C 3.25Å; A237-G240 VanDerWaalsContact O-C 3.25Å; A237-G240 PolarHBondContact O-N 3.29Å; A237-G240 VanDerWaalsContact O-O 3.1Å
241A40.9Very low69.1Low98 Ų9881.1 Ų81.181%0.8147%0.467SS*.  trans-75.5128.3-168.400000114.3
242T45.2Very low69.1Low107 Ų10782.7 Ų82.766%0.65647%0.473SS*.  trans-157.5126.8141.64.90000106.1K244T242-K244 PolarHBondContact O-N 3.13Å
243Q47.4Very low69.2Low212 Ų21281.5 Ų81.599%0.99147%0.468SS*.  trans-61.9110.9170.8-83.1-177.1-18.400107.8
244K61.7Low69.4Low79 Ų7984.2 Ų84.234%0.34348%0.479SS..  trans-94.1143.8-178-72165.5-180-81.60109.2T242 E248 K252T242-K244 PolarHBondContact O-N 3.13Å; K244-E248 HydrophobicContact CB-CB 4.3Å; K244-E248 WeakPolarHBondContact CG-OE2 3.42Å; K244-E248 IonicContact NZ-OE1 3.33Å; K244-E248 PolarHBondContact NZ-OE1 3.27Å; K244-E248 IonicContact NZ-OE2 3.55Å; K244-K252 HydrophobicContact CD-CD 4.28Å; K244-K252 VanDerWaalsContact CE-NZ 3.28Å
245G67.8Low69.8Low43 Ų4385.5 Ų85.544%0.44348%0.479SS..  trans-61.6160.4177.500000112.8A247 E248 R249G245-A247 VanDerWaalsContact C-N 3.29Å; G245-A247 PolarHBondContact O-N 3.4Å; G245-A247 VanDerWaalsContact O-N 3.16Å; G245-E248 PolarHBondContact O-N 3.29Å; G245-E248 VanDerWaalsContact O-N 3.09Å; G245-R249 PolarHBondContact O-N 3.27Å; G245-R249 VanDerWaalsContact O-N 3.1Å
246P71.2Confident70.4Confident66 Ų6681.2 Ų81.243%0.42946%0.461SS..Hα-helixtrans-53.1-40.2-173.4-28.134.5000114.3R249 C250P246-R249 PolarHBondContact O-N 2.94Å; P246-C250 WeakPolarHBondContact O-CB 3.36Å; P246-C250 PolarHBondContact O-N 3.45Å
247A73.8Confident71.4Confident70 Ų7077.7 Ų77.758%0.57945%0.446SS*.Hα-helixtrans-68.6-36.4-179.500000113.8G245 K251G245-A247 VanDerWaalsContact C-N 3.29Å; G245-A247 PolarHBondContact O-N 3.4Å; G245-A247 VanDerWaalsContact O-N 3.16Å; A247-K251 PolarHBondContact O-N 2.79Å
248E78.8Confident72.8Confident87 Ų8781.2 Ų81.241%0.40745%0.453SS..Hα-helixtrans-76.1-36.3178.1-163.4-165.4161.600111.1K244 G245 K251 K252K244-E248 HydrophobicContact CB-CB 4.3Å; K244-E248 WeakPolarHBondContact CG-OE2 3.42Å; K244-E248 IonicContact NZ-OE1 3.33Å; K244-E248 PolarHBondContact NZ-OE1 3.27Å; K244-E248 IonicContact NZ-OE2 3.55Å; G245-E248 PolarHBondContact O-N 3.29Å; G245-E248 VanDerWaalsContact O-N 3.09Å; E248-K251 PolarHBondContact O-N 2.98Å; E248-K252 PolarHBondContact O-N 3.23Å; E248-K252 VanDerWaalsContact O-N 3.16Å
249R80.2Confident74.5Confident83 Ų8379.4 Ų79.431%0.31343%0.429SS..Hα-helixtrans-58.9-48.8170-179.1-177.5171.1109.2-0.9110.7G245 P246 K251 K252 V253G245-R249 PolarHBondContact O-N 3.27Å; G245-R249 VanDerWaalsContact O-N 3.1Å; P246-R249 PolarHBondContact O-N 2.94Å; R249-K251 PolarHBondContact O-N 3.35Å; R249-K252 PolarHBondContact O-N 2.65Å; R249-K252 VanDerWaalsContact O-N 3.1Å; R249-V253 HydrophobicContact CG-CG2 4.37Å; R249-V253 WeakPolarHBondContact O-CG2 3.29Å; R249-V253 PolarHBondContact O-N 2.97Å
250C81.9Confident76.5Confident12 Ų1270.6 Ų70.68%0.08139%0.39CS..Hα-helixtrans-52.1-51.2177.1-173.30000111.7A87 F88 P246 K252 V253 E254A87-C250 HydrophobicContact CB-CB 4.5Å; F88-C250 VanDerWaalsContact CD1-SG 3.56Å; F88-C250 VanDerWaalsContact CE1-SG 3.51Å; F88-C250 HydrophobicContact CE2-CB 4.26Å; F88-C250 HydrophobicContact CZ-CB 4.17Å; P246-C250 WeakPolarHBondContact O-CB 3.36Å; P246-C250 PolarHBondContact O-N 3.45Å; C250-K252 VanDerWaalsContact C-N 3.32Å; C250-K252 PolarHBondContact O-N 3.16Å; C250-V253 PolarHBondContact O-N 3.07Å; C250-V253 VanDerWaalsContact O-N 3.14Å; C250-E254 WeakPolarHBondContact O-CG 3.48Å; C250-E254 PolarHBondContact O-N 2.93Å
251K85.5Confident78.7Confident152 Ų15269.3 Ų69.366%0.66137%0.369SS*.Hα-helixtrans-59-38.9177.6-73.4-178178.9-178.40113.5A247 E248 R249 D255A247-K251 PolarHBondContact O-N 2.79Å; E248-K251 PolarHBondContact O-N 2.98Å; R249-K251 PolarHBondContact O-N 3.35Å; K251-D255 WeakPolarHBondContact O-CB 3.42Å; K251-D255 PolarHBondContact O-N 3.29Å
252K86.9Confident81.2Confident85 Ų8565.6 Ų65.637%0.3734%0.34SS..Hα-helixtrans-68.9-38176.8-76.5-171.5172-160.40112.6V233 K244 E248 R249 C250 D255 M256V233-K252 HydrophobicContact CG1-CB 4.24Å; V233-K252 HydrophobicContact CG2-CB 4.48Å; K244-K252 HydrophobicContact CD-CD 4.28Å; K244-K252 VanDerWaalsContact CE-NZ 3.28Å; E248-K252 PolarHBondContact O-N 3.23Å; E248-K252 VanDerWaalsContact O-N 3.16Å; R249-K252 PolarHBondContact O-N 2.65Å; R249-K252 VanDerWaalsContact O-N 3.1Å; C250-K252 VanDerWaalsContact C-N 3.32Å; C250-K252 PolarHBondContact O-N 3.16Å; K252-D255 PolarHBondContact O-N 3.02Å; K252-M256 WeakPolarHBondContact O-CB 3.34Å; K252-M256 PolarHBondContact O-N 2.98Å
253V89.9Confident83.4Confident0 Ų065.1 Ų65.10%033%0.334CS..Hα-helixtrans-64.8-45.8174.7173.60000109.6F88 K226 A229 E230 V233 R249 C250 D255 M256 M257F88-V253 HydrophobicContact CE1-CB 4.26Å; F88-V253 HydrophobicContact CE1-CG1 3.98Å; F88-V253 HydrophobicContact CZ-CB 3.8Å; F88-V253 HydrophobicContact CZ-CG1 3.68Å; F88-V253 HydrophobicContact CZ-CG2 4.38Å; K226-V253 HydrophobicContact CG-CG1 4.35Å; A229-V253 HydrophobicContact CB-CG1 3.9Å; E230-V253 HydrophobicContact CG-CB 4.49Å; E230-V253 HydrophobicContact CG-CG1 3.8Å; E230-V253 HydrophobicContact CG-CG2 3.8Å; V233-V253 HydrophobicContact CB-CG2 4.48Å; V233-V253 HydrophobicContact CG2-CG2 4.32Å; R249-V253 HydrophobicContact CG-CG2 4.37Å; R249-V253 WeakPolarHBondContact O-CG2 3.29Å; R249-V253 PolarHBondContact O-N 2.97Å; C250-V253 PolarHBondContact O-N 3.07Å; C250-V253 VanDerWaalsContact O-N 3.14Å; V253-D255 PolarHBondContact O-N 3.46Å; V253-M256 PolarHBondContact O-N 3.12Å; V253-M256 VanDerWaalsContact O-N 3.13Å; V253-M257 HydrophobicContact CG1-CG 4.45Å; V253-M257 HydrophobicContact CG1-SD 4.14Å; V253-M257 VanDerWaalsContact O-CG 3.32Å; V253-M257 WeakPolarHBondContact O-CG 3.08Å; V253-M257 PolarHBondContact O-N 3.46Å
254E90.7Very high85.4Confident72 Ų7258.7 Ų58.734%0.33630%0.3SS..Hα-helixtrans-58.8-42.8174.3-70.7-179.6163.200112.7F88 C250 M256 M257 K258F88-E254 HydrophobicContact CE1-CG 4.18Å; C250-E254 WeakPolarHBondContact O-CG 3.48Å; C250-E254 PolarHBondContact O-N 2.93Å; E254-M256 VanDerWaalsContact C-N 3.34Å; E254-M257 PolarHBondContact O-N 3.41Å; E254-K258 WeakPolarHBondContact O-CG 3.13Å; E254-K258 PolarHBondContact O-N 3.08Å; E254-K258 VanDerWaalsContact O-N 3.09Å
255D90.9Very high86.7Confident75 Ų7556 Ų5640%0.40129%0.288SS..Hα-helixtrans-64.7-37.4175.2179.660.8000112.2K251 K252 V253 K258 K259K251-D255 WeakPolarHBondContact O-CB 3.42Å; K251-D255 PolarHBondContact O-N 3.29Å; K252-D255 PolarHBondContact O-N 3.02Å; V253-D255 PolarHBondContact O-N 3.46Å; D255-K258 PolarHBondContact O-N 3.47Å; D255-K259 WeakPolarHBondContact O-CG 3.26Å; D255-K259 PolarHBondContact O-N 3.28Å; D255-K259 IonicContact OD1-NZ 2.86Å; D255-K259 VanDerWaalsContact OD2-CE 3.31Å; D255-K259 WeakPolarHBondContact OD2-CE 3.36Å; D255-K259 IonicContact OD2-NZ 3.57Å; D255-K259 PolarHBondContact OD2-NZ 2.83Å
256M92.3Very high87.6Confident13 Ų1354.9 Ų54.96%0.06427%0.271CS..Hα-helixtrans-67.9-42.6174.4-175.861.573.400111.6A229 V233 F236 K252 V253 E254 K258 K259 L260 F273A229-M256 HydrophobicContact CB-CB 3.97Å; A229-M256 HydrophobicContact CB-CG 3.86Å; V233-M256 HydrophobicContact CG2-CB 3.71Å; V233-M256 HydrophobicContact CG2-CE 4.29Å; V233-M256 HydrophobicContact CG2-CG 4.11Å; F236-M256 HydrophobicContact CD2-CE 3.67Å; F236-M256 HydrophobicContact CE2-CE 3.92Å; K252-M256 WeakPolarHBondContact O-CB 3.34Å; K252-M256 PolarHBondContact O-N 2.98Å; V253-M256 PolarHBondContact O-N 3.12Å; V253-M256 VanDerWaalsContact O-N 3.13Å; E254-M256 VanDerWaalsContact C-N 3.34Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 3.08Å; M256-K259 WeakPolarHBondContact O-CA 3.43Å; M256-K259 WeakPolarHBondContact O-CB 3.22Å; M256-K259 PolarHBondContact O-N 2.94Å; M256-L260 HydrophobicContact CG-CD1 4.31Å; M256-L260 HydrophobicContact CG-CG 4.35Å; M256-L260 WeakPolarHBondContact O-CG 3.5Å; M256-L260 PolarHBondContact O-N 2.86Å; M256-F273 HydrophobicContact CE-CE2 4.49Å; M256-F273 HydrophobicContact CE-CZ 4.28Å; M256-F273 HydrophobicContact SD-CZ 3.95Å
257M93.8Very high88.2Confident7 Ų752.6 Ų52.63%0.03426%0.255CS..Hα-helixtrans-56.8-43.1175-69170.871.700111.4V208 L225 K226 A229 V253 E254 K259 L260V208-M257 WeakPolarHBondContact O-CE 3.41Å; L225-M257 HydrophobicContact CB-CE 4.31Å; L225-M257 HydrophobicContact CB-CG 4.39Å; K226-M257 HydrophobicContact CB-CE 3.97Å; K226-M257 HydrophobicContact CB-SD 4.03Å; K226-M257 HydrophobicContact CG-SD 4.19Å; A229-M257 HydrophobicContact CB-CB 4.44Å; A229-M257 HydrophobicContact CB-CG 3.42Å; A229-M257 VanDerWaalsContact CB-CG 3.42Å; V253-M257 HydrophobicContact CG1-CG 4.45Å; V253-M257 HydrophobicContact CG1-SD 4.14Å; V253-M257 VanDerWaalsContact O-CG 3.32Å; V253-M257 WeakPolarHBondContact O-CG 3.08Å; V253-M257 PolarHBondContact O-N 3.46Å; E254-M257 PolarHBondContact O-N 3.41Å; M257-K259 PolarHBondContact O-N 3.32Å; M257-L260 PolarHBondContact O-N 3.26Å; M257-L260 VanDerWaalsContact O-N 3.15Å
258K93.7Very high88.3Confident118 Ų11853.4 Ų53.451%0.51325%0.254SS..Hα-helixtrans-61.6-24.8173.9-73.1172.1-178.21770114.1V208 E254 D255 M256V208-K258 HydrophobicContact CG1-CB 4.21Å; V208-K258 HydrophobicContact CG1-CG 3.49Å; V208-K258 VanDerWaalsContact CG1-CG 3.49Å; E254-K258 WeakPolarHBondContact O-CG 3.13Å; E254-K258 PolarHBondContact O-N 3.08Å; E254-K258 VanDerWaalsContact O-N 3.09Å; D255-K258 PolarHBondContact O-N 3.47Å; M256-K258 VanDerWaalsContact C-N 3.28Å; M256-K258 PolarHBondContact O-N 3.08Å
259K92.4Very high88.2Confident50 Ų5054 Ų5422%0.21727%0.269CS..Hα-helixtrans-87.3-27.1177.1-71.8165177.1167.70112.3D255 M256 M257 R264 F273 T288D255-K259 WeakPolarHBondContact O-CG 3.26Å; D255-K259 PolarHBondContact O-N 3.28Å; D255-K259 IonicContact OD1-NZ 2.86Å; D255-K259 VanDerWaalsContact OD2-CE 3.31Å; D255-K259 WeakPolarHBondContact OD2-CE 3.36Å; D255-K259 IonicContact OD2-NZ 3.57Å; D255-K259 PolarHBondContact OD2-NZ 2.83Å; M256-K259 WeakPolarHBondContact O-CA 3.43Å; M256-K259 WeakPolarHBondContact O-CB 3.22Å; M256-K259 PolarHBondContact O-N 2.94Å; M257-K259 PolarHBondContact O-N 3.32Å; K259-R264 VanDerWaalsContact O-CB 3.23Å; K259-R264 WeakPolarHBondContact O-CB 3.4Å; K259-F273 HydrophobicContact CB-CD1 3.98Å; K259-F273 HydrophobicContact CB-CE1 4Å; K259-F273 HydrophobicContact CB-CG 4.42Å; K259-F273 HydrophobicContact CB-CZ 4.46Å; K259-F273 HydrophobicContact CD-CD1 4.41Å; K259-F273 HydrophobicContact CD-CD2 3.88Å; K259-F273 HydrophobicContact CD-CE2 4.04Å; K259-F273 HydrophobicContact CD-CG 4.07Å; K259-F273 HydrophobicContact CD-CZ 4.37Å; K259-F273 HydrophobicContact CG-CD1 4.38Å; K259-F273 HydrophobicContact CG-CG 4.33Å; K259-T288 WeakPolarHBondContact O-CB 3.33Å; K259-T288 WeakPolarHBondContact O-CG2 3.31Å
260L93.9Very high88Confident0 Ų052.7 Ų52.70%028%0.275CS..Hα-helixtrans-74.9-21-177.2-72.1174.9000113.6L225 F228 A229 Y232 M256 M257 T288 F289 L292 V293L225-L260 HydrophobicContact CD2-CB 4.06Å; L225-L260 HydrophobicContact CD2-CD1 4.49Å; F228-L260 HydrophobicContact CB-CD1 4.1Å; A229-L260 HydrophobicContact CB-CD1 3.95Å; Y232-L260 HydrophobicContact CD2-CD2 4.21Å; Y232-L260 HydrophobicContact CE2-CD2 4.49Å; M256-L260 HydrophobicContact CG-CD1 4.31Å; M256-L260 HydrophobicContact CG-CG 4.35Å; M256-L260 WeakPolarHBondContact O-CG 3.5Å; M256-L260 PolarHBondContact O-N 2.86Å; M257-L260 PolarHBondContact O-N 3.26Å; M257-L260 VanDerWaalsContact O-N 3.15Å; L260-T288 HydrophobicContact CD2-CG2 4.07Å; L260-F289 VanDerWaalsContact O-CA 3.25Å; L260-F289 WeakPolarHBondContact O-CA 3.46Å; L260-F289 WeakPolarHBondContact O-CB 3.43Å; L260-F289 PolarHBondContact O-N 2.95Å; L260-L292 HydrophobicContact CD2-CB 4.13Å; L260-L292 HydrophobicContact CD2-CD1 4.09Å; L260-V293 HydrophobicContact CD2-CG2 4.39Å
261W94.8Very high87.8Confident27 Ų2754.2 Ų54.210%0.10229%0.293CS..SBendtrans-123.9155.8-175.5-173.1-94.8000112.9Y175 F178 P207 V208 F214 L225 F289Y175-W261 HydrophobicContact CD2-CE3 4.32Å; Y175-W261 HydrophobicContact CD2-CH2 4.04Å; Y175-W261 AromaticContact CD2-CZ3 3.89Å; Y175-W261 HydrophobicContact CD2-CZ3 3.89Å; Y175-W261 AromaticContact CE2-CD2 3.9Å; Y175-W261 HydrophobicContact CE2-CD2 3.9Å; Y175-W261 AromaticContact CE2-CE2 3.98Å; Y175-W261 AromaticContact CE2-CE3 3.74Å; Y175-W261 HydrophobicContact CE2-CE3 3.74Å; Y175-W261 AromaticContact CE2-CH2 3.74Å; Y175-W261 HydrophobicContact CE2-CH2 3.74Å; Y175-W261 AromaticContact CE2-CZ2 3.9Å; Y175-W261 HydrophobicContact CE2-CZ2 3.9Å; Y175-W261 AromaticContact CE2-CZ3 3.66Å; Y175-W261 HydrophobicContact CE2-CZ3 3.66Å; F178-W261 HydrophobicContact CB-CH2 3.89Å; P207-W261 HydrophobicContact CB-CD2 3.69Å; P207-W261 HydrophobicContact CB-CE3 3.98Å; P207-W261 HydrophobicContact CB-CG 4.06Å; P207-W261 HydrophobicContact CB-CZ2 4.26Å; P207-W261 HydrophobicContact CB-CZ3 4.37Å; P207-W261 HydrophobicContact CG-CD2 4.03Å; P207-W261 HydrophobicContact CG-CE3 4.43Å; P207-W261 HydrophobicContact CG-CH2 4.14Å; P207-W261 HydrophobicContact CG-CZ2 3.68Å; P207-W261 HydrophobicContact CG-CZ3 4.48Å; V208-W261 HydrophobicContact CG2-CB 3.8Å; V208-W261 HydrophobicContact CG2-CG 4.08Å; F214-W261 HydrophobicContact CE1-CH2 4.38Å; F214-W261 HydrophobicContact CE1-CZ3 4.35Å; F214-W261 HydrophobicContact CE2-CZ3 4.48Å; F214-W261 HydrophobicContact CZ-CH2 4.02Å; F214-W261 AromaticContact CZ-CZ3 3.76Å; F214-W261 HydrophobicContact CZ-CZ3 3.76Å; L225-W261 HydrophobicContact CD1-CB 3.6Å; L225-W261 HydrophobicContact CD1-CD2 4.47Å; L225-W261 HydrophobicContact CD1-CE3 4.33Å; L225-W261 HydrophobicContact CD1-CG 4.21Å; W261-F289 AromaticContact CE3-CD2 3.73Å; W261-F289 HydrophobicContact CE3-CD2 3.73Å; W261-F289 AromaticContact CE3-CE2 3.88Å; W261-F289 HydrophobicContact CE3-CE2 3.88Å; W261-F289 HydrophobicContact CE3-CG 4.15Å; W261-F289 HydrophobicContact CE3-CZ 4.42Å; W261-F289 HydrophobicContact CZ3-CD1 4.38Å; W261-F289 HydrophobicContact CZ3-CD2 4.03Å; W261-F289 HydrophobicContact CZ3-CE1 4.18Å; W261-F289 AromaticContact CZ3-CE2 3.86Å; W261-F289 HydrophobicContact CZ3-CE2 3.86Å; W261-F289 HydrophobicContact CZ3-CG 4.28Å; W261-F289 AromaticContact CZ3-CZ 3.93Å; W261-F289 HydrophobicContact CZ3-CZ 3.93Å
262G92.5Very high87.6Confident20 Ų2054.3 Ų54.321%0.20629%0.293CS..SBendtrans87.1-162.4179.400000114.1Y175 R264Y175-G262 WeakPolarHBondContact OH-CA 3.31Å; Y175-G262 PolarHBondContact OH-N 3.35Å; Y175-G262 VanDerWaalsContact OH-N 3.16Å; G262-R264 PolarHBondContact O-N 2.82Å
263D90.4Very high87.6Confident97 Ų9752.9 Ų52.952%0.51929%0.287SS..SBendtrans-75.161.3173.9-62.4-43.6000111.2Y265 R287D263-Y265 HydrophobicContact CB-CE2 4.32Å; D263-R287 IonicContact OD1-CZ 2.81Å; D263-R287 IonicContact OD1-NH1 3.42Å; D263-R287 PolarHBondContact OD1-NH1 2.87Å; D263-R287 IonicContact OD1-NH2 3.45Å; D263-R287 PolarHBondContact OD1-NH2 3.3Å
264R90.1Very high87.3Confident77 Ų7754.5 Ų54.529%0.29130%0.298SS..  trans-119.5134.3175.2-66.1-60.4-170.4149.75.1108.9K259 G262 T288K259-R264 VanDerWaalsContact O-CB 3.23Å; K259-R264 WeakPolarHBondContact O-CB 3.4Å; G262-R264 PolarHBondContact O-N 2.82Å; R264-T288 WeakPolarHBondContact O-CB 3.47Å; R264-T288 PolarHBondContact O-N 3.13Å; R264-T288 PolarHBondContact O-OG1 3.35Å
265Y89.9Confident87.1Confident23 Ų2358.1 Ų58.19%0.0931%0.313CS..EExtended strand (participates in β ladder)trans-123.9146.7-175.2-54.8-87.1000109.9D263 F273 S274 T276 A277 Y285 R287 T288D263-Y265 HydrophobicContact CB-CE2 4.32Å; Y265-F273 CarbonylContact O-C 3.57Å; Y265-F273 WeakPolarHBondContact O-CA 3.24Å; Y265-S274 PolarHBondContact N-O 3.22Å; Y265-S274 PolarHBondContact O-N 3.48Å; Y265-T276 VanDerWaalsContact CD2-O 3.27Å; Y265-T276 WeakPolarHBondContact CD2-O 3.34Å; Y265-A277 HydrophobicContact CD1-CB 4.4Å; Y265-A277 HydrophobicContact CD2-CB 4.47Å; Y265-A277 HydrophobicContact CE1-CB 3.78Å; Y265-A277 HydrophobicContact CE2-CB 3.86Å; Y265-A277 VanDerWaalsContact CZ-CB 3.47Å; Y265-Y285 WeakPolarHBondContact CD1-O 3.37Å; Y265-R287 HydrophobicContact CD1-CG 4.4Å; Y265-R287 HydrophobicContact CE1-CG 3.84Å; Y265-T288 VanDerWaalsContact C-OG1 3.29Å; Y265-T288 WeakPolarHBondContact CA-OG1 3.24Å; Y265-T288 PolarHBondContact N-OG1 2.81Å
266F86Confident86.7Confident19 Ų1958.5 Ų58.58%0.08332%0.318CS..EExtended strand (participates in β ladder)trans-117.3124.4179.4179.8-105.6000109.9F236 P268 F273 T288 Q291 L292F236-F266 HydrophobicContact CZ-CE2 4.36Å; F236-F266 HydrophobicContact CZ-CZ 4.36Å; F266-P268 HydrophobicContact CE1-CB 4.21Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.48Å; F266-F273 HydrophobicContact CB-CD1 4.31Å; F266-F273 HydrophobicContact CB-CE1 4.36Å; F266-F273 AromaticContact CD2-CD1 3.9Å; F266-F273 HydrophobicContact CD2-CD1 3.9Å; F266-F273 HydrophobicContact CD2-CD2 4.38Å; F266-F273 AromaticContact CD2-CE1 3.72Å; F266-F273 HydrophobicContact CD2-CE1 3.72Å; F266-F273 HydrophobicContact CD2-CE2 4.22Å; F266-F273 HydrophobicContact CD2-CG 4.24Å; F266-F273 AromaticContact CD2-CZ 3.89Å; F266-F273 HydrophobicContact CD2-CZ 3.89Å; F266-F273 HydrophobicContact CE2-CE1 4.49Å; F266-F273 HydrophobicContact CE2-CE2 4.33Å; F266-F273 HydrophobicContact CE2-CZ 4.23Å; F266-F273 HydrophobicContact CG-CE1 4.37Å; F266-T288 HydrophobicContact CB-CG2 4.37Å; F266-T288 PolarHBondContact N-OG1 3.4Å; F266-Q291 PolarHBondContact O-OE1 3.1Å; F266-L292 HydrophobicContact CD1-CD2 4.33Å
267D82.8Confident86.1Confident18 Ų1859.8 Ų59.810%0.09633%0.331CS..EExtended strand (participates in β ladder)trans-92.9109.2173.1-177.9-5.7000109S269 A270 G271 K272 Y285D267-S269 VanDerWaalsContact CG-OG 3.29Å; D267-S269 PolarHBondContact O-N 2.94Å; D267-S269 WeakPolarHBondContact OD1-CA 3.5Å; D267-S269 WeakPolarHBondContact OD1-CB 3.41Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 3.26Å; D267-S269 PolarHBondContact OD2-OG 3.02Å; D267-A270 HydrophobicContact CB-CB 4.21Å; D267-A270 PolarHBondContact OD1-N 3.33Å; D267-A270 VanDerWaalsContact OD2-CB 3.28Å; D267-A270 WeakPolarHBondContact OD2-CB 3.08Å; D267-G271 VanDerWaalsContact O-CA 3.27Å; D267-G271 WeakPolarHBondContact O-CA 3.25Å; D267-G271 PolarHBondContact O-N 2.96Å; D267-K272 PolarHBondContact N-O 2.93Å; D267-K272 PolarHBondContact O-N 3.46Å; D267-Y285 HydrophobicContact CB-CD1 4.25Å; D267-Y285 HydrophobicContact CB-CE1 3.75Å; D267-Y285 HydrophobicContact CB-CE2 4.39Å; D267-Y285 VanDerWaalsContact CG-CE1 3.48Å; D267-Y285 PolarHBondContact OD2-OH 3.44Å
268P76.9Confident85.4Confident86 Ų8662 Ų6256%0.55835%0.347SS*.THydrogen-bonded Turntrans-69.1-22.1178.928.2-33.1000113F266F266-P268 HydrophobicContact CE1-CB 4.21Å; F266-P268 VanDerWaalsContact O-CD 3.3Å; F266-P268 WeakPolarHBondContact O-CD 3.48Å
269S77.7Confident84.4Confident101 Ų10156.9 Ų56.971%0.70633%0.328SS*.THydrogen-bonded Turntrans-78.4-45.5179.672.70000111.7D267D267-S269 VanDerWaalsContact CG-OG 3.29Å; D267-S269 PolarHBondContact O-N 2.94Å; D267-S269 WeakPolarHBondContact OD1-CA 3.5Å; D267-S269 WeakPolarHBondContact OD1-CB 3.41Å; D267-S269 PolarHBondContact OD1-N 3.48Å; D267-S269 PolarHBondContact OD1-OG 3.26Å; D267-S269 PolarHBondContact OD2-OG 3.02Å
270A74.4Confident83.3Confident55 Ų5560.7 Ų60.746%0.45536%0.358SS..THydrogen-bonded Turntrans-84.1-16.5175.800000113.6D267 K272D267-A270 HydrophobicContact CB-CB 4.21Å; D267-A270 PolarHBondContact OD1-N 3.33Å; D267-A270 VanDerWaalsContact OD2-CB 3.28Å; D267-A270 WeakPolarHBondContact OD2-CB 3.08Å; A270-K272 HydrophobicContact CB-CB 4.44Å; A270-K272 PolarHBondContact O-N 3.26Å
271G77.4Confident82.1Confident43 Ų4367.6 Ų67.644%0.44340%0.395SS..THydrogen-bonded Turntrans64.326.7-17500000113.6D267D267-G271 VanDerWaalsContact O-CA 3.27Å; D267-G271 WeakPolarHBondContact O-CA 3.25Å; D267-G271 PolarHBondContact O-N 2.96Å
272K83.1Confident81.1Confident154 Ų15468.9 Ų68.967%0.6742%0.416SS*.EExtended strand (participates in β ladder)trans-123.2150.4-173.3-72179.2-176.2176.50111.6D267 A270D267-K272 PolarHBondContact N-O 2.93Å; D267-K272 PolarHBondContact O-N 3.46Å; A270-K272 HydrophobicContact CB-CB 4.44Å; A270-K272 PolarHBondContact O-N 3.26Å
273F85.5Confident80.5Confident55 Ų5573.5 Ų73.524%0.24143%0.433CS..EExtended strand (participates in β ladder)trans-87.9137.8172.6-62.9-89.3000110.3M256 K259 Y265 F266 T288 L292M256-F273 HydrophobicContact CE-CE2 4.49Å; M256-F273 HydrophobicContact CE-CZ 4.28Å; M256-F273 HydrophobicContact SD-CZ 3.95Å; K259-F273 HydrophobicContact CB-CD1 3.98Å; K259-F273 HydrophobicContact CB-CE1 4Å; K259-F273 HydrophobicContact CB-CG 4.42Å; K259-F273 HydrophobicContact CB-CZ 4.46Å; K259-F273 HydrophobicContact CD-CD1 4.41Å; K259-F273 HydrophobicContact CD-CD2 3.88Å; K259-F273 HydrophobicContact CD-CE2 4.04Å; K259-F273 HydrophobicContact CD-CG 4.07Å; K259-F273 HydrophobicContact CD-CZ 4.37Å; K259-F273 HydrophobicContact CG-CD1 4.38Å; K259-F273 HydrophobicContact CG-CG 4.33Å; Y265-F273 CarbonylContact O-C 3.57Å; Y265-F273 WeakPolarHBondContact O-CA 3.24Å; F266-F273 HydrophobicContact CB-CD1 4.31Å; F266-F273 HydrophobicContact CB-CE1 4.36Å; F266-F273 AromaticContact CD2-CD1 3.9Å; F266-F273 HydrophobicContact CD2-CD1 3.9Å; F266-F273 HydrophobicContact CD2-CD2 4.38Å; F266-F273 AromaticContact CD2-CE1 3.72Å; F266-F273 HydrophobicContact CD2-CE1 3.72Å; F266-F273 HydrophobicContact CD2-CE2 4.22Å; F266-F273 HydrophobicContact CD2-CG 4.24Å; F266-F273 AromaticContact CD2-CZ 3.89Å; F266-F273 HydrophobicContact CD2-CZ 3.89Å; F266-F273 HydrophobicContact CE2-CE1 4.49Å; F266-F273 HydrophobicContact CE2-CE2 4.33Å; F266-F273 HydrophobicContact CE2-CZ 4.23Å; F266-F273 HydrophobicContact CG-CE1 4.37Å; F273-T288 HydrophobicContact CD1-CG2 4.14Å; F273-T288 HydrophobicContact CE1-CG2 3.68Å; F273-L292 HydrophobicContact CE1-CD1 4.29Å
274S85.1Confident80.1Confident34 Ų3477.3 Ų77.324%0.23844%0.444CS..EExtended strand (participates in β ladder)trans-119156.8174.7-171.40000111.5Y265 T276Y265-S274 PolarHBondContact N-O 3.22Å; Y265-S274 PolarHBondContact O-N 3.48Å; S274-T276 PolarHBondContact OG-N 3.02Å; S274-T276 PolarHBondContact OG-O 3.45Å; S274-T276 PolarHBondContact OG-OG1 2.92Å
275K85.1Confident79.8Confident149 Ų14974.7 Ų74.765%0.64844%0.435SS*.SBendtrans-92.9-15.1167.2-69.2-176.2179.2-1760112.4
276T83.1Confident79.6Confident82 Ų8276.8 Ų76.850%0.50345%0.451SS..SBendtrans-97.8137.7-179.857.10000110.3Y265 S274 S278Y265-T276 VanDerWaalsContact CD2-O 3.27Å; Y265-T276 WeakPolarHBondContact CD2-O 3.34Å; S274-T276 PolarHBondContact OG-N 3.02Å; S274-T276 PolarHBondContact OG-O 3.45Å; S274-T276 PolarHBondContact OG-OG1 2.92Å; T276-S278 PolarHBondContact O-N 3.35Å; T276-S278 PolarHBondContact OG1-O 3.45Å
277A78.9Confident79.9Confident40 Ų4077.3 Ų77.333%0.33145%0.453SS..SBendtrans-66.9-23177.600000113Y265 K284 Y285Y265-A277 HydrophobicContact CD1-CB 4.4Å; Y265-A277 HydrophobicContact CD2-CB 4.47Å; Y265-A277 HydrophobicContact CE1-CB 3.78Å; Y265-A277 HydrophobicContact CE2-CB 3.86Å; Y265-A277 VanDerWaalsContact CZ-CB 3.47Å; A277-K284 WeakPolarHBondContact O-CA 3.49Å; A277-Y285 PolarHBondContact O-N 2.95Å
278S80.3Confident80.4Confident54 Ų5476.5 Ų76.538%0.37845%0.448SS..BIsolated β-bridgetrans-113.1140.2177.9-54.80000110.9T276 Q283T276-S278 PolarHBondContact O-N 3.35Å; T276-S278 PolarHBondContact OG1-O 3.45Å; S278-Q283 WeakPolarHBondContact CA-O 3.33Å
279G72.6Confident81.3Confident11 Ų1172.5 Ų72.511%0.11342%0.422CS..  trans-75.4173.5169.800000113.2D281 G282 Q283 Y285G279-D281 PolarHBondContact O-N 3.05Å; G279-D281 VanDerWaalsContact O-N 3.12Å; G279-G282 PolarHBondContact O-N 3.2Å; G279-Q283 PolarHBondContact N-O 3.27Å; G279-Y285 VanDerWaalsContact N-CE2 3.27Å
280P68.9Low82.1Confident129 Ų12968.1 Ų68.184%0.83839%0.391SS*.THydrogen-bonded Turntrans-54.9-28.5175.4-22.333000113.2
281D68.8Low82.9Confident146 Ų14667.4 Ų67.478%0.78138%0.378SS*.THydrogen-bonded Turntrans-91.87-177-52.8-34.2000113.4G279 Q283G279-D281 PolarHBondContact O-N 3.05Å; G279-D281 VanDerWaalsContact O-N 3.12Å; D281-Q283 PolarHBondContact O-N 2.69Å
282G74.4Confident83.6Confident54 Ų5466.2 Ų66.256%0.55736%0.362SS*.SBendtrans78-0.9-177.800000115.1G279 K284G279-G282 PolarHBondContact O-N 3.2Å; G282-K284 PolarHBondContact O-N 2.92Å
283Q78.6Confident84.1Confident117 Ų11758.9 Ų58.955%0.54733%0.33SS..PPolyproline II helixtrans-66.4128.2174.3-170.8174.123.600110.7S278 G279 D281S278-Q283 WeakPolarHBondContact CA-O 3.33Å; G279-Q283 PolarHBondContact N-O 3.27Å; D281-Q283 PolarHBondContact O-N 2.69Å
284K82.1Confident84.6Confident176 Ų17656.2 Ų56.277%0.76532%0.318SS*.BIsolated β-bridgetrans-77.5126.3174.3-69.3-174.4179.6-178.60110A277 G282A277-K284 WeakPolarHBondContact O-CA 3.49Å; G282-K284 PolarHBondContact O-N 2.92Å
285Y83.9Confident85Confident22 Ų2257.3 Ų57.39%0.08632%0.321CS..PPolyproline II helixtrans-92.3137.7172.9-60-57.6000110.2Y265 D267 A277 G279Y265-Y285 WeakPolarHBondContact CD1-O 3.37Å; D267-Y285 HydrophobicContact CB-CD1 4.25Å; D267-Y285 HydrophobicContact CB-CE1 3.75Å; D267-Y285 HydrophobicContact CB-CE2 4.39Å; D267-Y285 VanDerWaalsContact CG-CE1 3.48Å; D267-Y285 PolarHBondContact OD2-OH 3.44Å; A277-Y285 PolarHBondContact O-N 2.95Å; G279-Y285 VanDerWaalsContact N-CE2 3.27Å
286P87.1Confident85.4Confident67 Ų6751.4 Ų51.444%0.43530%0.298SS..PPolyproline II helixtrans-66.5153.6169.228.6-32.5000110.3Q291P286-Q291 HydrophobicContact CG-CB 4.15Å; P286-Q291 HydrophobicContact CG-CG 4.32Å
287R91.8Very high85.9Confident31 Ų3147.5 Ų47.512%0.11727%0.274CS..BIsolated β-bridgetrans-57.6146.1173.2-65.2175.7-175.3-82.1-4.4110D172 D263 Y265 F289 C290 Q291D172-R287 WeakPolarHBondContact OD1-CD 3.36Å; D172-R287 IonicContact OD1-NE 3.52Å; D172-R287 PolarHBondContact OD1-NE 3.18Å; D263-R287 IonicContact OD1-CZ 2.81Å; D263-R287 IonicContact OD1-NH1 3.42Å; D263-R287 PolarHBondContact OD1-NH1 2.87Å; D263-R287 IonicContact OD1-NH2 3.45Å; D263-R287 PolarHBondContact OD1-NH2 3.3Å; Y265-R287 HydrophobicContact CD1-CG 4.4Å; Y265-R287 HydrophobicContact CE1-CG 3.84Å; R287-F289 VanDerWaalsContact C-N 3.29Å; R287-F289 PolarHBondContact O-N 3.14Å; R287-C290 HydrophobicContact CB-CB 4.27Å; R287-C290 PolarHBondContact O-N 3.07Å; R287-C290 VanDerWaalsContact O-N 3.12Å; R287-Q291 PolarHBondContact O-N 3.42Å
288T93.3Very high86.7Confident0 Ų047.7 Ų47.70%027%0.268CS..Hα-helixtrans-60.5-41.1-179.2-560000111K259 L260 R264 Y265 F266 F273 Q291 L292K259-T288 WeakPolarHBondContact O-CB 3.33Å; K259-T288 WeakPolarHBondContact O-CG2 3.31Å; L260-T288 HydrophobicContact CD2-CG2 4.07Å; R264-T288 WeakPolarHBondContact O-CB 3.47Å; R264-T288 PolarHBondContact O-N 3.13Å; R264-T288 PolarHBondContact O-OG1 3.35Å; Y265-T288 VanDerWaalsContact C-OG1 3.29Å; Y265-T288 WeakPolarHBondContact CA-OG1 3.24Å; Y265-T288 PolarHBondContact N-OG1 2.81Å; F266-T288 HydrophobicContact CB-CG2 4.37Å; F266-T288 PolarHBondContact N-OG1 3.4Å; F273-T288 HydrophobicContact CD1-CG2 4.14Å; F273-T288 HydrophobicContact CE1-CG2 3.68Å; T288-Q291 PolarHBondContact O-N 2.91Å; T288-L292 HydrophobicContact CG2-CD1 3.69Å; T288-L292 HydrophobicContact CG2-CG 4.15Å; T288-L292 WeakPolarHBondContact O-CB 3.19Å; T288-L292 PolarHBondContact O-N 3.42Å
289F94.9Very high87.3Confident2 Ų250 Ų501%0.00927%0.271CS..Hα-helixtrans-58.1-50174.6-170.1-103000111.4Y175 F178 F223 L225 L260 W261 R287 Q291 V293 L294Y175-F289 HydrophobicContact CD2-CB 3.93Å; Y175-F289 AromaticContact CD2-CD1 3.5Å; Y175-F289 HydrophobicContact CD2-CD1 3.5Å; Y175-F289 VanDerWaalsContact CD2-CD1 3.5Å; Y175-F289 HydrophobicContact CD2-CE1 4.2Å; Y175-F289 AromaticContact CD2-CG 3.87Å; Y175-F289 HydrophobicContact CD2-CG 3.87Å; Y175-F289 HydrophobicContact CE2-CB 4.11Å; Y175-F289 HydrophobicContact CE2-CD1 4.33Å; Y175-F289 HydrophobicContact CE2-CG 4.28Å; Y175-F289 HydrophobicContact CG-CD1 4.34Å; F178-F289 HydrophobicContact CD2-CE1 4.01Å; F178-F289 HydrophobicContact CD2-CZ 4.32Å; F178-F289 HydrophobicContact CE2-CE1 4.14Å; F178-F289 HydrophobicContact CE2-CZ 4.39Å; F223-F289 HydrophobicContact CE2-CE2 4.43Å; F223-F289 HydrophobicContact CE2-CZ 4.4Å; F223-F289 HydrophobicContact CZ-CZ 4.4Å; L225-F289 HydrophobicContact CD2-CD2 3.86Å; L225-F289 HydrophobicContact CD2-CE2 3.68Å; L260-F289 VanDerWaalsContact O-CA 3.25Å; L260-F289 WeakPolarHBondContact O-CA 3.46Å; L260-F289 WeakPolarHBondContact O-CB 3.43Å; L260-F289 PolarHBondContact O-N 2.95Å; W261-F289 AromaticContact CE3-CD2 3.73Å; W261-F289 HydrophobicContact CE3-CD2 3.73Å; W261-F289 AromaticContact CE3-CE2 3.88Å; W261-F289 HydrophobicContact CE3-CE2 3.88Å; W261-F289 HydrophobicContact CE3-CG 4.15Å; W261-F289 HydrophobicContact CE3-CZ 4.42Å; W261-F289 HydrophobicContact CZ3-CD1 4.38Å; W261-F289 HydrophobicContact CZ3-CD2 4.03Å; W261-F289 HydrophobicContact CZ3-CE1 4.18Å; W261-F289 AromaticContact CZ3-CE2 3.86Å; W261-F289 HydrophobicContact CZ3-CE2 3.86Å; W261-F289 HydrophobicContact CZ3-CG 4.28Å; W261-F289 AromaticContact CZ3-CZ 3.93Å; W261-F289 HydrophobicContact CZ3-CZ 3.93Å; R287-F289 VanDerWaalsContact C-N 3.29Å; R287-F289 PolarHBondContact O-N 3.14Å; F289-Q291 VanDerWaalsContact C-N 3.31Å; F289-Q291 PolarHBondContact O-N 2.87Å; F289-V293 HydrophobicContact CD2-CB 3.99Å; F289-V293 HydrophobicContact CD2-CG1 4.37Å; F289-V293 HydrophobicContact CD2-CG2 3.9Å; F289-V293 HydrophobicContact CE2-CB 3.96Å; F289-V293 HydrophobicContact CE2-CG1 3.83Å; F289-V293 HydrophobicContact CE2-CG2 4.1Å; F289-V293 HydrophobicContact CG-CB 4.42Å; F289-V293 HydrophobicContact CZ-CB 4.39Å; F289-V293 HydrophobicContact CZ-CG1 4.04Å; F289-V293 WeakPolarHBondContact O-CA 3.39Å; F289-V293 VanDerWaalsContact O-CB 3.25Å; F289-V293 WeakPolarHBondContact O-CB 3.46Å; F289-V293 PolarHBondContact O-N 3.24Å; F289-L294 HydrophobicContact CD1-CD1 3.8Å; F289-L294 HydrophobicContact CD1-CD2 4.42Å; F289-L294 HydrophobicContact CD1-CG 3.76Å; F289-L294 HydrophobicContact CE1-CD1 3.71Å; F289-L294 HydrophobicContact CE1-CD2 3.69Å; F289-L294 HydrophobicContact CE1-CG 3.53Å; F289-L294 HydrophobicContact CZ-CD2 4.25Å; F289-L294 HydrophobicContact CZ-CG 4.42Å; F289-L294 PolarHBondContact O-N 3.44Å; F289-L294 VanDerWaalsContact O-N 3.07Å
290C94Very high88.3Confident9 Ų949.6 Ų49.66%0.06127%0.266CS..Iπ-helixtrans-61.3-41.7-179.5-59.20000111.4P171 R287 D295P171-C290 HydrophobicContact CB-CB 4.09Å; P171-C290 PolarHBondContact O-SG 2.93Å; R287-C290 HydrophobicContact CB-CB 4.27Å; R287-C290 PolarHBondContact O-N 3.07Å; R287-C290 VanDerWaalsContact O-N 3.12Å; C290-D295 VanDerWaalsContact O-CB 3.28Å; C290-D295 WeakPolarHBondContact O-CB 3.34Å; C290-D295 PolarHBondContact O-N 2.95Å
291Q92.1Very high89.5Confident40 Ų4043.9 Ų43.919%0.18723%0.228CC..Iπ-helixtrans-80-39.7-175.9-170.8-179.87.600114.2F266 P286 R287 T288 F289F266-Q291 PolarHBondContact O-OE1 3.1Å; P286-Q291 HydrophobicContact CG-CB 4.15Å; P286-Q291 HydrophobicContact CG-CG 4.32Å; R287-Q291 PolarHBondContact O-N 3.42Å; T288-Q291 PolarHBondContact O-N 2.91Å; F289-Q291 VanDerWaalsContact C-N 3.31Å; F289-Q291 PolarHBondContact O-N 2.87Å
292L91.7Very high90.7Very high18 Ų1840 Ų409%0.09421%0.208CC..Iπ-helixtrans-99.3-21-173.3-63-173.1000112.8Y232 L260 F266 F273 T288Y232-L292 HydrophobicContact CE2-CB 3.82Å; Y232-L292 WeakPolarHBondContact CE2-O 3.45Å; Y232-L292 VanDerWaalsContact CZ-O 3.3Å; Y232-L292 PolarHBondContact OH-O 2.99Å; L260-L292 HydrophobicContact CD2-CB 4.13Å; L260-L292 HydrophobicContact CD2-CD1 4.09Å; F266-L292 HydrophobicContact CD1-CD2 4.33Å; F273-L292 HydrophobicContact CE1-CD1 4.29Å; T288-L292 HydrophobicContact CG2-CD1 3.69Å; T288-L292 HydrophobicContact CG2-CG 4.15Å; T288-L292 WeakPolarHBondContact O-CB 3.19Å; T288-L292 PolarHBondContact O-N 3.42Å
293V94.5Very high91.6Very high0 Ų037.6 Ų37.60%018%0.182CC..Iπ-helixtrans-110.2-58.1-179.2-176.50000110.5F223 F228 L260 F289 I297F223-V293 HydrophobicContact CD2-CG1 4.28Å; F223-V293 HydrophobicContact CE2-CG1 3.43Å; F223-V293 VanDerWaalsContact CE2-CG1 3.43Å; F223-V293 HydrophobicContact CZ-CG1 3.59Å; F228-V293 HydrophobicContact CB-CG2 4.42Å; F228-V293 HydrophobicContact CD1-CG2 4.24Å; F228-V293 HydrophobicContact CD2-CG1 4.07Å; F228-V293 HydrophobicContact CE1-CG1 4.32Å; F228-V293 HydrophobicContact CE2-CG1 3.85Å; F228-V293 HydrophobicContact CG-CG1 4.4Å; F228-V293 HydrophobicContact CG-CG2 4.16Å; F228-V293 HydrophobicContact CZ-CG1 3.98Å; L260-V293 HydrophobicContact CD2-CG2 4.39Å; F289-V293 HydrophobicContact CD2-CB 3.99Å; F289-V293 HydrophobicContact CD2-CG1 4.37Å; F289-V293 HydrophobicContact CD2-CG2 3.9Å; F289-V293 HydrophobicContact CE2-CB 3.96Å; F289-V293 HydrophobicContact CE2-CG1 3.83Å; F289-V293 HydrophobicContact CE2-CG2 4.1Å; F289-V293 HydrophobicContact CG-CB 4.42Å; F289-V293 HydrophobicContact CZ-CB 4.39Å; F289-V293 HydrophobicContact CZ-CG1 4.04Å; F289-V293 WeakPolarHBondContact O-CA 3.39Å; F289-V293 VanDerWaalsContact O-CB 3.25Å; F289-V293 WeakPolarHBondContact O-CB 3.46Å; F289-V293 PolarHBondContact O-N 3.24Å; V293-I297 HydrophobicContact CG1-CD1 4.44Å; V293-I297 WeakPolarHBondContact O-CD1 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.42Å
294L94.8Very high92.3Very high0 Ų032.3 Ų32.30%016%0.158CC..Iπ-helixtrans-73.3-49.3-174.1-62.9-177.1000112.9M160 P171 L174 F178 F289 I297 F298M160-L294 HydrophobicContact CE-CD2 3.35Å; P171-L294 HydrophobicContact CB-CB 4.21Å; P171-L294 HydrophobicContact CB-CD1 4.05Å; P171-L294 WeakPolarHBondContact O-CD1 3.48Å; L174-L294 HydrophobicContact CD2-CD2 4.39Å; F178-L294 HydrophobicContact CE2-CD2 4.4Å; F289-L294 HydrophobicContact CD1-CD1 3.8Å; F289-L294 HydrophobicContact CD1-CD2 4.42Å; F289-L294 HydrophobicContact CD1-CG 3.76Å; F289-L294 HydrophobicContact CE1-CD1 3.71Å; F289-L294 HydrophobicContact CE1-CD2 3.69Å; F289-L294 HydrophobicContact CE1-CG 3.53Å; F289-L294 HydrophobicContact CZ-CD2 4.25Å; F289-L294 HydrophobicContact CZ-CG 4.42Å; F289-L294 PolarHBondContact O-N 3.44Å; F289-L294 VanDerWaalsContact O-N 3.07Å; L294-I297 CarbonylContact O-C 3.31Å; L294-I297 WeakPolarHBondContact O-CA 3.27Å; L294-I297 WeakPolarHBondContact O-CB 3.34Å; L294-I297 PolarHBondContact O-N 2.79Å; L294-F298 HydrophobicContact CB-CD2 4.04Å; L294-F298 HydrophobicContact CB-CE2 4.06Å; L294-F298 WeakPolarHBondContact O-CD2 3.46Å; L294-F298 PolarHBondContact O-N 2.81Å
295D93.7Very high92.8Very high56 Ų5626.4 Ų26.430%0.29913%0.134SC..Hα-helixtrans-53.7-43.9-175.5169.184.2000113.6C290 I297 F298 K299C290-D295 VanDerWaalsContact O-CB 3.28Å; C290-D295 WeakPolarHBondContact O-CB 3.34Å; C290-D295 PolarHBondContact O-N 2.95Å; D295-I297 VanDerWaalsContact C-N 3.35Å; D295-I297 PolarHBondContact O-N 2.95Å; D295-F298 PolarHBondContact O-N 2.78Å; D295-K299 VanDerWaalsContact CG-NZ 3.27Å; D295-K299 WeakPolarHBondContact O-CB 3.44Å; D295-K299 VanDerWaalsContact O-CG 3.31Å; D295-K299 WeakPolarHBondContact O-CG 3.46Å; D295-K299 PolarHBondContact O-N 3.33Å; D295-K299 WeakPolarHBondContact OD1-CE 3.46Å; D295-K299 IonicContact OD1-NZ 3.53Å; D295-K299 PolarHBondContact OD1-NZ 2.92Å; D295-K299 VanDerWaalsContact OD1-NZ 3.08Å; D295-K299 WeakPolarHBondContact OD2-CE 3.34Å; D295-K299 IonicContact OD2-NZ 2.68Å; D295-K299 PolarHBondContact OD2-NZ 2.96Å
296P93.2Very high93.2Very high25 Ų2530.1 Ų30.116%0.16216%0.155CC..Hα-helixtrans-58.9-41.7170.9-26.635.4000113.7K299 V300 W343P296-K299 PolarHBondContact O-N 3.01Å; P296-V300 WeakPolarHBondContact O-CG2 3.31Å; P296-V300 PolarHBondContact O-N 2.87Å; P296-V300 VanDerWaalsContact O-N 3.09Å; P296-W343 HydrophobicContact CB-CH2 3.97Å; P296-W343 HydrophobicContact CB-CZ2 4.48Å
297I94.9Very high93.5Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-65.3-48.5177.7-65.8165.3000110L164 W221 F223 F228 V293 L294 D295 K299 V300 F301 M340 W343 L344L164-I297 HydrophobicContact CD1-CG2 4.01Å; W221-I297 HydrophobicContact CH2-CD1 4.49Å; W221-I297 HydrophobicContact CH2-CG2 4.11Å; W221-I297 HydrophobicContact CZ3-CD1 4.12Å; F223-I297 HydrophobicContact CD1-CD1 4.35Å; F223-I297 HydrophobicContact CE1-CD1 3.7Å; F223-I297 HydrophobicContact CZ-CD1 4.15Å; F228-I297 HydrophobicContact CZ-CD1 4.35Å; V293-I297 HydrophobicContact CG1-CD1 4.44Å; V293-I297 WeakPolarHBondContact O-CD1 3.27Å; V293-I297 WeakPolarHBondContact O-CG1 3.42Å; L294-I297 CarbonylContact O-C 3.31Å; L294-I297 WeakPolarHBondContact O-CA 3.27Å; L294-I297 WeakPolarHBondContact O-CB 3.34Å; L294-I297 PolarHBondContact O-N 2.79Å; D295-I297 VanDerWaalsContact C-N 3.35Å; D295-I297 PolarHBondContact O-N 2.95Å; I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 3.26Å; I297-V300 WeakPolarHBondContact O-CB 3.49Å; I297-V300 PolarHBondContact O-N 2.81Å; I297-V300 VanDerWaalsContact O-N 3.08Å; I297-F301 HydrophobicContact CG2-CD2 3.81Å; I297-F301 HydrophobicContact CG2-CE2 3.73Å; I297-F301 VanDerWaalsContact O-CD2 3.28Å; I297-F301 WeakPolarHBondContact O-CD2 3.32Å; I297-F301 PolarHBondContact O-N 2.8Å; I297-M340 HydrophobicContact CG2-CE 4.33Å; I297-W343 HydrophobicContact CG1-CH2 3.83Å; I297-W343 HydrophobicContact CG1-CZ3 3.72Å; I297-L344 HydrophobicContact CD1-CD1 4.47Å
298F94.6Very high93.5Very high45 Ų4534.4 Ų34.420%0.19717%0.168CC..Hα-helixtrans-56.9-42.5177.1-88.2-101.8000111.6L164 L169 P171 L174 L294 D295 V300 F301 D302L164-F298 HydrophobicContact CD2-CD1 4.18Å; L164-F298 HydrophobicContact CD2-CD2 3.78Å; L164-F298 HydrophobicContact CD2-CE1 3.71Å; L164-F298 HydrophobicContact CD2-CE2 3.28Å; L164-F298 HydrophobicContact CD2-CG 4.23Å; L164-F298 HydrophobicContact CD2-CZ 3.25Å; L169-F298 WeakPolarHBondContact O-CE1 3.41Å; L169-F298 VanDerWaalsContact O-CZ 3.22Å; L169-F298 WeakPolarHBondContact O-CZ 3.35Å; P171-F298 HydrophobicContact CB-CE2 4.26Å; P171-F298 HydrophobicContact CG-CD1 4.41Å; P171-F298 HydrophobicContact CG-CD2 4.17Å; P171-F298 HydrophobicContact CG-CE1 4.22Å; P171-F298 HydrophobicContact CG-CE2 3.96Å; P171-F298 HydrophobicContact CG-CG 4.37Å; P171-F298 HydrophobicContact CG-CZ 3.98Å; L174-F298 HydrophobicContact CD2-CE2 4.1Å; L174-F298 HydrophobicContact CD2-CZ 4.2Å; L294-F298 HydrophobicContact CB-CD2 4.04Å; L294-F298 HydrophobicContact CB-CE2 4.06Å; L294-F298 WeakPolarHBondContact O-CD2 3.46Å; L294-F298 PolarHBondContact O-N 2.81Å; D295-F298 PolarHBondContact O-N 2.78Å; F298-V300 PolarHBondContact O-N 3.15Å; F298-F301 PolarHBondContact O-N 3.2Å; F298-D302 VanDerWaalsContact O-CB 3.31Å; F298-D302 WeakPolarHBondContact O-CB 3.29Å; F298-D302 PolarHBondContact O-N 2.87Å
299K93.9Very high93.2Very high103 Ų10341 Ų4145%0.44820%0.196SC..Hα-helixtrans-62.7-38.9175.7-76.1170.1178.6161.70113D295 P296 I297 A303 L315D295-K299 VanDerWaalsContact CG-NZ 3.27Å; D295-K299 WeakPolarHBondContact O-CB 3.44Å; D295-K299 VanDerWaalsContact O-CG 3.31Å; D295-K299 WeakPolarHBondContact O-CG 3.46Å; D295-K299 PolarHBondContact O-N 3.33Å; D295-K299 WeakPolarHBondContact OD1-CE 3.46Å; D295-K299 IonicContact OD1-NZ 3.53Å; D295-K299 PolarHBondContact OD1-NZ 2.92Å; D295-K299 VanDerWaalsContact OD1-NZ 3.08Å; D295-K299 WeakPolarHBondContact OD2-CE 3.34Å; D295-K299 IonicContact OD2-NZ 2.68Å; D295-K299 PolarHBondContact OD2-NZ 2.96Å; P296-K299 PolarHBondContact O-N 3.01Å; I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 3.26Å; K299-A303 WeakPolarHBondContact O-CB 3.25Å; K299-A303 PolarHBondContact O-N 3.11Å; K299-L315 HydrophobicContact CB-CD1 4.45Å; K299-L315 HydrophobicContact CB-CD2 4.36Å
300V93.6Very high92.9Very high2 Ų247.9 Ų47.91%0.01223%0.229CC..Hα-helixtrans-63.2-47.8174.5173.50000110.3P296 I297 F298 I304 L315 L319 L336 V339 M340 W343P296-V300 WeakPolarHBondContact O-CG2 3.31Å; P296-V300 PolarHBondContact O-N 2.87Å; P296-V300 VanDerWaalsContact O-N 3.09Å; I297-V300 WeakPolarHBondContact O-CB 3.49Å; I297-V300 PolarHBondContact O-N 2.81Å; I297-V300 VanDerWaalsContact O-N 3.08Å; F298-V300 PolarHBondContact O-N 3.15Å; V300-I304 HydrophobicContact CG1-CD1 3.69Å; V300-I304 WeakPolarHBondContact O-CB 3.31Å; V300-I304 WeakPolarHBondContact O-CG1 3.28Å; V300-I304 PolarHBondContact O-N 2.8Å; V300-I304 VanDerWaalsContact O-N 3.12Å; V300-L315 VanDerWaalsContact CA-CD2 3.47Å; V300-L315 HydrophobicContact CB-CD2 3.99Å; V300-L315 HydrophobicContact CG2-CD2 3.39Å; V300-L315 HydrophobicContact CG2-CG 4.25Å; V300-L319 HydrophobicContact CG2-CD1 3.51Å; V300-L336 HydrophobicContact CG1-CD1 4.07Å; V300-V339 HydrophobicContact CG1-CG1 4.14Å; V300-M340 HydrophobicContact CG1-SD 3.89Å; V300-W343 HydrophobicContact CG2-CE3 4.41Å; V300-W343 HydrophobicContact CG2-CZ3 4Å
301F93.8Very high92.7Very high9 Ų952.5 Ų52.54%0.03925%0.249CC..Hα-helixtrans-62-49.3179.6-86.2-113.2000111.4L164 L165 W221 I297 F298 M305 L336 M340L164-F301 HydrophobicContact CB-CD1 3.98Å; L164-F301 HydrophobicContact CB-CE1 4.06Å; L164-F301 HydrophobicContact CD1-CD1 4.04Å; L164-F301 HydrophobicContact CD1-CD2 4.15Å; L164-F301 HydrophobicContact CD1-CE1 3.73Å; L164-F301 HydrophobicContact CD1-CE2 3.84Å; L164-F301 HydrophobicContact CD1-CG 4.25Å; L164-F301 HydrophobicContact CD1-CZ 3.63Å; L165-F301 HydrophobicContact CD1-CD1 4.48Å; L165-F301 HydrophobicContact CD1-CE1 4.2Å; L165-F301 HydrophobicContact CD2-CD1 3.71Å; L165-F301 HydrophobicContact CD2-CE1 4.25Å; L165-F301 HydrophobicContact CG-CD1 3.95Å; L165-F301 HydrophobicContact CG-CE1 4.02Å; W221-F301 HydrophobicContact CZ2-CE2 4.11Å; W221-F301 AromaticContact CZ2-CZ 3.85Å; W221-F301 HydrophobicContact CZ2-CZ 3.85Å; I297-F301 HydrophobicContact CG2-CD2 3.81Å; I297-F301 HydrophobicContact CG2-CE2 3.73Å; I297-F301 VanDerWaalsContact O-CD2 3.28Å; I297-F301 WeakPolarHBondContact O-CD2 3.32Å; I297-F301 PolarHBondContact O-N 2.8Å; F298-F301 PolarHBondContact O-N 3.2Å; F301-M305 WeakPolarHBondContact O-CB 3.37Å; F301-M305 WeakPolarHBondContact O-CG 3.36Å; F301-M305 PolarHBondContact O-N 3.37Å; F301-L336 HydrophobicContact CD1-CD1 4.43Å; F301-L336 HydrophobicContact CD1-CD2 3.83Å; F301-L336 HydrophobicContact CD2-CD1 3.94Å; F301-L336 HydrophobicContact CE1-CD2 3.72Å; F301-L336 HydrophobicContact CE2-CD1 4.07Å; F301-L336 HydrophobicContact CG-CD1 4.14Å; F301-L336 HydrophobicContact CG-CD2 4.34Å; F301-L336 HydrophobicContact CZ-CD1 4.36Å; F301-L336 HydrophobicContact CZ-CD2 4.16Å; F301-M340 HydrophobicContact CE2-CE 3.92Å; F301-M340 HydrophobicContact CE2-CG 4.22Å; F301-M340 HydrophobicContact CE2-SD 3.96Å
302D93.1Very high92.6Very high65 Ų6551.2 Ų51.235%0.34824%0.244SC..Hα-helixtrans-61-51.1179178.152.6000111.8F298 I304 N306 K308F298-D302 VanDerWaalsContact O-CB 3.31Å; F298-D302 WeakPolarHBondContact O-CB 3.29Å; F298-D302 PolarHBondContact O-N 2.87Å; D302-I304 PolarHBondContact O-N 3.18Å; D302-N306 VanDerWaalsContact O-CB 3.25Å; D302-N306 WeakPolarHBondContact O-CB 3.17Å; D302-N306 PolarHBondContact O-N 3.2Å; D302-N306 PolarHBondContact OD1-ND2 3.38Å; D302-K308 IonicContact OD1-NZ 3.08Å; D302-K308 IonicContact OD2-NZ 2.67Å; D302-K308 PolarHBondContact OD2-NZ 2.87Å
303A94Very high92.4Very high3 Ų352.8 Ų52.83%0.02526%0.26CS..Hα-helixtrans-61.9-42.3-177.200000112.5K299 F307 K308 E311 T312K299-A303 WeakPolarHBondContact O-CB 3.25Å; K299-A303 PolarHBondContact O-N 3.11Å; A303-F307 PolarHBondContact O-N 3.31Å; A303-K308 HydrophobicContact CB-CB 4.5Å; A303-K308 PolarHBondContact O-N 3.19Å; A303-E311 HydrophobicContact CB-CB 4.47Å; A303-T312 PolarHBondContact O-OG1 3.14Å
304I93.4Very high92.2Very high6 Ų659.5 Ų59.53%0.03129%0.289CS..Hα-helixtrans-74.7-45.6-179-66.1173.7000111.4V300 D302 N306 F307 T312 G332 L335 L336 V339V300-I304 HydrophobicContact CG1-CD1 3.69Å; V300-I304 WeakPolarHBondContact O-CB 3.31Å; V300-I304 WeakPolarHBondContact O-CG1 3.28Å; V300-I304 PolarHBondContact O-N 2.8Å; V300-I304 VanDerWaalsContact O-N 3.12Å; D302-I304 PolarHBondContact O-N 3.18Å; I304-N306 VanDerWaalsContact C-N 3.35Å; I304-F307 PolarHBondContact O-N 3.25Å; I304-T312 HydrophobicContact CG1-CG2 3.87Å; I304-G332 WeakPolarHBondContact CG2-O 3.46Å; I304-L335 HydrophobicContact CG1-CD2 4.46Å; I304-L335 HydrophobicContact CG2-CB 4.23Å; I304-L335 HydrophobicContact CG2-CD2 4.14Å; I304-L335 HydrophobicContact CG2-CG 4.27Å; I304-L336 HydrophobicContact CD1-CD1 4Å; I304-L336 HydrophobicContact CG2-CB 3.95Å; I304-V339 HydrophobicContact CD1-CB 4.15Å; I304-V339 HydrophobicContact CD1-CG1 4.29Å; I304-V339 HydrophobicContact CD1-CG2 4.03Å
305M92.2Very high91.9Very high52 Ų5261.2 Ų61.226%0.25630%0.298SS..Hα-helixtrans-73.5-27.1-176.1-67-61.1-61.900112.9L165 F301 F307 K333 L336L165-M305 HydrophobicContact CD2-CE 4.32Å; L165-M305 HydrophobicContact CD2-CG 3.85Å; L165-M305 HydrophobicContact CD2-SD 4.4Å; F301-M305 WeakPolarHBondContact O-CB 3.37Å; F301-M305 WeakPolarHBondContact O-CG 3.36Å; F301-M305 PolarHBondContact O-N 3.37Å; M305-F307 WeakPolarHBondContact O-CD2 3.47Å; M305-F307 WeakPolarHBondContact O-CE2 3.46Å; M305-K333 HydrophobicContact CE-CG 4.01Å; M305-K333 HydrophobicContact SD-CG 4.04Å; M305-L336 HydrophobicContact CG-CD2 4.37Å; M305-L336 HydrophobicContact SD-CD2 4.16Å
306N93.1Very high91.6Very high99 Ų9959.6 Ų59.653%0.52929%0.289SS..THydrogen-bonded Turntrans-95.515173.4-68.3-39000113.3D302 I304 K308D302-N306 VanDerWaalsContact O-CB 3.25Å; D302-N306 WeakPolarHBondContact O-CB 3.17Å; D302-N306 PolarHBondContact O-N 3.2Å; D302-N306 PolarHBondContact OD1-ND2 3.38Å; I304-N306 VanDerWaalsContact C-N 3.35Å; N306-K308 HydrophobicContact CB-CG 4.3Å; N306-K308 PolarHBondContact O-N 2.86Å; N306-K308 VanDerWaalsContact O-N 3.13Å
307F92.5Very high91.3Very high115 Ų11564.4 Ų64.450%0.50431%0.314SS..THydrogen-bonded Turntrans54.333.4172.6-56.7-93.2000114.5A303 I304 M305 K309 E331A303-F307 PolarHBondContact O-N 3.31Å; I304-F307 PolarHBondContact O-N 3.25Å; M305-F307 WeakPolarHBondContact O-CD2 3.47Å; M305-F307 WeakPolarHBondContact O-CE2 3.46Å; F307-K309 VanDerWaalsContact C-N 3.33Å; F307-K309 PolarHBondContact O-N 3.36Å; F307-E331 HydrophobicContact CD1-CB 4.23Å; F307-E331 HydrophobicContact CE1-CB 3.91Å
308K92.4Very high90.9Very high73 Ų7372.3 Ų72.332%0.31735%0.348SS..  trans-78.778.6178.8-57.8-177.7-1731690110.1D302 A303 N306 E310 E311 T312D302-K308 IonicContact OD1-NZ 3.08Å; D302-K308 IonicContact OD2-NZ 2.67Å; D302-K308 PolarHBondContact OD2-NZ 2.87Å; A303-K308 HydrophobicContact CB-CB 4.5Å; A303-K308 PolarHBondContact O-N 3.19Å; N306-K308 HydrophobicContact CB-CG 4.3Å; N306-K308 PolarHBondContact O-N 2.86Å; N306-K308 VanDerWaalsContact O-N 3.13Å; K308-E310 PolarHBondContact O-N 3.35Å; K308-E311 HydrophobicContact CB-CB 4.05Å; K308-E311 HydrophobicContact CB-CG 4.39Å; K308-E311 WeakPolarHBondContact CD-OE2 3.22Å; K308-E311 IonicContact NZ-OE2 2.91Å; K308-E311 PolarHBondContact O-N 3.43Å; K308-T312 WeakPolarHBondContact O-CB 3.21Å; K308-T312 PolarHBondContact O-N 3.09Å; K308-T312 PolarHBondContact O-OG1 3.17Å
309K87.4Confident90.5Very high139 Ų13971.7 Ų71.760%0.60435%0.346SS*.Hα-helixtrans-56.4-45.7-169.7-61.4-168.6176.8-164.20114.3F307 T312 A313 E331F307-K309 VanDerWaalsContact C-N 3.33Å; F307-K309 PolarHBondContact O-N 3.36Å; K309-T312 PolarHBondContact O-N 2.96Å; K309-A313 PolarHBondContact O-N 3.3Å; K309-E331 WeakPolarHBondContact CE-OE1 3.47Å; K309-E331 IonicContact NZ-OE1 2.78Å; K309-E331 PolarHBondContact NZ-OE1 3.19Å
310E88.5Confident90.1Very high147 Ų14773 Ų7369%0.68736%0.358SS*.Hα-helixtrans-66.5-41.3179.8-67.7-167.9-177.800112.9K308 K314K308-E310 PolarHBondContact O-N 3.35Å; E310-K314 WeakPolarHBondContact O-CG 3.16Å; E310-K314 PolarHBondContact O-N 3.24Å
311E90.4Very high89.9Confident105 Ų10573.4 Ų73.449%0.49136%0.361SS..Hα-helixtrans-67.5-42.1176.9-67.7-177.5-166.500110.7A303 K308 A313 K314 L315A303-E311 HydrophobicContact CB-CB 4.47Å; K308-E311 HydrophobicContact CB-CB 4.05Å; K308-E311 HydrophobicContact CB-CG 4.39Å; K308-E311 WeakPolarHBondContact CD-OE2 3.22Å; K308-E311 IonicContact NZ-OE2 2.91Å; K308-E311 PolarHBondContact O-N 3.43Å; E311-A313 PolarHBondContact O-N 3.29Å; E311-K314 PolarHBondContact O-N 3.34Å; E311-L315 VanDerWaalsContact O-CB 3.26Å; E311-L315 WeakPolarHBondContact O-CB 3.31Å; E311-L315 PolarHBondContact O-N 3.06Å
312T88.8Confident89.6Confident14 Ų1480.9 Ų80.99%0.08639%0.393CS..Hα-helixtrans-59.1-47.3178.1-60.70000111.1A303 I304 K308 K309 L315 I316 L335A303-T312 PolarHBondContact O-OG1 3.14Å; I304-T312 HydrophobicContact CG1-CG2 3.87Å; K308-T312 WeakPolarHBondContact O-CB 3.21Å; K308-T312 PolarHBondContact O-N 3.09Å; K308-T312 PolarHBondContact O-OG1 3.17Å; K309-T312 PolarHBondContact O-N 2.96Å; T312-L315 PolarHBondContact O-N 3.4Å; T312-I316 HydrophobicContact CG2-CD1 3.63Å; T312-I316 HydrophobicContact CG2-CG1 4.38Å; T312-I316 WeakPolarHBondContact O-CB 3.33Å; T312-I316 WeakPolarHBondContact O-CD1 3.38Å; T312-I316 VanDerWaalsContact O-CG1 3.24Å; T312-I316 WeakPolarHBondContact O-CG1 3.32Å; T312-I316 PolarHBondContact O-N 3.26Å; T312-L335 HydrophobicContact CG2-CD2 4.43Å
313A87Confident89.3Confident51 Ų5179.1 Ų79.142%0.42138%0.384SS..Hα-helixtrans-60.1-48.6177.100000112K309 E311 L315 I316 D317K309-A313 PolarHBondContact O-N 3.3Å; E311-A313 PolarHBondContact O-N 3.29Å; A313-L315 VanDerWaalsContact C-N 3.27Å; A313-L315 PolarHBondContact O-N 2.72Å; A313-I316 PolarHBondContact O-N 2.87Å; A313-D317 PolarHBondContact O-N 3.02Å
314K90.6Very high89Confident140 Ų14082.6 Ų82.661%0.60940%0.402SS*.Hα-helixtrans-60.4-36.9176.8-70.5170.9-173.8165.60112.2E310 E311 K318E310-K314 WeakPolarHBondContact O-CG 3.16Å; E310-K314 PolarHBondContact O-N 3.24Å; E311-K314 PolarHBondContact O-N 3.34Å; K314-K318 VanDerWaalsContact O-CB 3.29Å; K314-K318 WeakPolarHBondContact O-CB 3.32Å; K314-K318 PolarHBondContact O-N 3.25Å
315L88.8Confident88.6Confident37 Ų3786 Ų8619%0.19443%0.431CS..Hα-helixtrans-72.5-44.5-178.9-159.877.7000111.2K299 V300 E311 T312 A313 D317 K318 L319K299-L315 HydrophobicContact CB-CD1 4.45Å; K299-L315 HydrophobicContact CB-CD2 4.36Å; V300-L315 VanDerWaalsContact CA-CD2 3.47Å; V300-L315 HydrophobicContact CB-CD2 3.99Å; V300-L315 HydrophobicContact CG2-CD2 3.39Å; V300-L315 HydrophobicContact CG2-CG 4.25Å; E311-L315 VanDerWaalsContact O-CB 3.26Å; E311-L315 WeakPolarHBondContact O-CB 3.31Å; E311-L315 PolarHBondContact O-N 3.06Å; T312-L315 PolarHBondContact O-N 3.4Å; A313-L315 VanDerWaalsContact C-N 3.27Å; A313-L315 PolarHBondContact O-N 2.72Å; L315-D317 VanDerWaalsContact C-N 3.33Å; L315-D317 PolarHBondContact O-N 2.84Å; L315-K318 PolarHBondContact O-N 3.36Å; L315-L319 HydrophobicContact CG-CD1 4.35Å; L315-L319 WeakPolarHBondContact O-CB 3.17Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.28Å; L315-L319 PolarHBondContact O-N 3.36Å
316I87.5Confident88.3Confident21 Ų2190.3 Ų90.311%0.10845%0.45CS..Hα-helixtrans-58.1-46.1175.5-71.4164.3000110.5T312 A313 K318 L319 D320 V321 L323 V339T312-I316 HydrophobicContact CG2-CD1 3.63Å; T312-I316 HydrophobicContact CG2-CG1 4.38Å; T312-I316 WeakPolarHBondContact O-CB 3.33Å; T312-I316 WeakPolarHBondContact O-CD1 3.38Å; T312-I316 VanDerWaalsContact O-CG1 3.24Å; T312-I316 WeakPolarHBondContact O-CG1 3.32Å; T312-I316 PolarHBondContact O-N 3.26Å; A313-I316 PolarHBondContact O-N 2.87Å; I316-K318 PolarHBondContact O-N 3.09Å; I316-L319 PolarHBondContact O-N 3.24Å; I316-D320 PolarHBondContact O-N 3.42Å; I316-D320 VanDerWaalsContact O-N 3.17Å; I316-V321 HydrophobicContact CG2-CB 4.19Å; I316-V321 WeakPolarHBondContact CG2-O 3.4Å; I316-V321 PolarHBondContact O-N 3.37Å; I316-V321 VanDerWaalsContact O-N 3.13Å; I316-L323 HydrophobicContact CD1-CD1 3.74Å; I316-L323 HydrophobicContact CG2-CD1 4.43Å; I316-L323 HydrophobicContact CG2-CG 4.31Å; I316-V339 HydrophobicContact CD1-CG2 4.29Å; I316-V339 HydrophobicContact CG1-CG2 4.43Å
317D87Confident88Confident127 Ų12786.2 Ų86.268%0.67943%0.429SS*.Hα-helixtrans-62.7-42176.5-72.4-18.1000111.6A313 L315 L319 D320A313-D317 PolarHBondContact O-N 3.02Å; L315-D317 VanDerWaalsContact C-N 3.33Å; L315-D317 PolarHBondContact O-N 2.84Å; D317-L319 VanDerWaalsContact C-N 3.3Å; D317-L319 PolarHBondContact O-N 2.63Å; D317-D320 PolarHBondContact O-N 3.12Å; D317-D320 VanDerWaalsContact O-N 3.16Å
318K87.1Confident87.6Confident166 Ų16688 Ų8872%0.72244%0.436SS*.Hα-helixtrans-67.6-29.3178.8-173.2177.5-179.7-177.80113.3K314 L315 I316 D320K314-K318 VanDerWaalsContact O-CB 3.29Å; K314-K318 WeakPolarHBondContact O-CB 3.32Å; K314-K318 PolarHBondContact O-N 3.25Å; L315-K318 PolarHBondContact O-N 3.36Å; I316-K318 PolarHBondContact O-N 3.09Å; K318-D320 VanDerWaalsContact C-N 3.31Å
319L86.1Confident87.4Confident31 Ų3192.4 Ų92.416%0.16246%0.458CS..THydrogen-bonded Turntrans-85.6-4.2176.3-65.1178.5000112.9V300 L315 I316 D317 V321 W343V300-L319 HydrophobicContact CG2-CD1 3.51Å; L315-L319 HydrophobicContact CG-CD1 4.35Å; L315-L319 WeakPolarHBondContact O-CB 3.17Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.28Å; L315-L319 PolarHBondContact O-N 3.36Å; I316-L319 PolarHBondContact O-N 3.24Å; D317-L319 VanDerWaalsContact C-N 3.3Å; D317-L319 PolarHBondContact O-N 2.63Å; L319-V321 VanDerWaalsContact C-N 3.26Å; L319-V321 HydrophobicContact CB-CG2 3.83Å; L319-V321 PolarHBondContact O-N 3.48Å; L319-W343 HydrophobicContact CD1-CD2 3.94Å; L319-W343 HydrophobicContact CD1-CE3 4.08Å; L319-W343 HydrophobicContact CD1-CG 4.49Å; L319-W343 HydrophobicContact CD1-CH2 4.29Å; L319-W343 HydrophobicContact CD1-CZ2 4.14Å; L319-W343 HydrophobicContact CD1-CZ3 4.25Å; L319-W343 HydrophobicContact CD2-CH2 4.25Å; L319-W343 HydrophobicContact CD2-CZ2 3.54Å; L319-W343 HydrophobicContact CG-CZ2 4.42Å
320D86Confident87.5Confident130 Ų13089.6 Ų89.670%0.69545%0.446SS*.THydrogen-bonded Turntrans56.338.9-175.7-163.924.7000112.7I316 D317 K318I316-D320 PolarHBondContact O-N 3.42Å; I316-D320 VanDerWaalsContact O-N 3.17Å; D317-D320 PolarHBondContact O-N 3.12Å; D317-D320 VanDerWaalsContact O-N 3.16Å; K318-D320 VanDerWaalsContact C-N 3.31Å
321V87.8Confident87.5Confident12 Ų1287 Ų877%0.07343%0.434CS..PPolyproline II helixtrans-94.3116.1179.71770000109.7I316 L319 L323 R342 W343I316-V321 HydrophobicContact CG2-CB 4.19Å; I316-V321 WeakPolarHBondContact CG2-O 3.4Å; I316-V321 PolarHBondContact O-N 3.37Å; I316-V321 VanDerWaalsContact O-N 3.13Å; L319-V321 VanDerWaalsContact C-N 3.26Å; L319-V321 HydrophobicContact CB-CG2 3.83Å; L319-V321 PolarHBondContact O-N 3.48Å; V321-L323 HydrophobicContact CG1-CD2 4.05Å; V321-R342 HydrophobicContact CG1-CB 3.88Å; V321-W343 HydrophobicContact CG2-CB 3.76Å; V321-W343 HydrophobicContact CG2-CG 4.05Å
322K88.8Confident87.5Confident166 Ų16682.5 Ų82.572%0.72242%0.415SS*.PPolyproline II helixtrans-86.9117.9178.5-63.9-179.1-176.2175.20111R342K322-R342 WeakPolarHBondContact O-CD 3.45Å; K322-R342 PolarHBondContact O-NE 3.02Å
323L87.1Confident87.5Confident28 Ų2887.8 Ų87.815%0.14744%0.437CS..PPolyproline II helixtrans-99136171.9-56.1-174.7000110.9I316 V321 D327 K328 L335 V339I316-L323 HydrophobicContact CD1-CD1 3.74Å; I316-L323 HydrophobicContact CG2-CD1 4.43Å; I316-L323 HydrophobicContact CG2-CG 4.31Å; V321-L323 HydrophobicContact CG1-CD2 4.05Å; L323-D327 HydrophobicContact CB-CB 4.35Å; L323-D327 HydrophobicContact CD2-CB 4.46Å; L323-K328 HydrophobicContact CB-CG 3.99Å; L323-K328 WeakPolarHBondContact O-CE 3.44Å; L323-L335 HydrophobicContact CD1-CD1 4.01Å; L323-V339 HydrophobicContact CD1-CG2 4.33Å; L323-V339 HydrophobicContact CD2-CG2 4.05Å
324D87.3Confident87.7Confident76 Ų7688.9 Ų88.941%0.40644%0.44SS..PPolyproline II helixtrans-77173170.252.813.6000111.6E326 D327 K328 R342D324-E326 VanDerWaalsContact C-N 3.32Å; D324-E326 PolarHBondContact O-N 3.21Å; D324-D327 PolarHBondContact O-N 3.12Å; D324-D327 WeakPolarHBondContact OD1-CB 3.44Å; D324-D327 PolarHBondContact OD1-N 2.77Å; D324-D327 VanDerWaalsContact OD1-OD2 3.06Å; D324-K328 WeakPolarHBondContact O-CG 3.32Å; D324-K328 PolarHBondContact O-N 3.48Å; D324-K328 VanDerWaalsContact O-N 3.16Å; D324-R342 IonicContact OD1-NH2 3.81Å; D324-R342 PolarHBondContact OD1-NH2 3.38Å; D324-R342 VanDerWaalsContact OD1-NH2 3.16Å; D324-R342 IonicContact OD2-NH2 3.04Å; D324-R342 PolarHBondContact OD2-NH2 3.05Å
325A84.8Confident87.8Confident78 Ų7883.1 Ų83.165%0.64542%0.415SS*.Hα-helixtrans-60.2-41.7-17500000112.1K328A325-K328 PolarHBondContact O-N 3.45Å
326E84.9Confident87.9Confident141 Ų14181.4 Ų81.466%0.65941%0.406SS*.Hα-helixtrans-67.2-38.6178.4-66.8-175.9-179.200112.7D324 K328 E329D324-E326 VanDerWaalsContact C-N 3.32Å; D324-E326 PolarHBondContact O-N 3.21Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 3.41Å; E326-E329 PolarHBondContact O-N 2.9Å
327D86.4Confident88Confident13 Ų1382.6 Ų82.67%0.0741%0.411CS..Hα-helixtrans-74-23.6179.1-72.1-26.5000113.4L323 D324 E329 K330 L335 A338 R342L323-D327 HydrophobicContact CB-CB 4.35Å; L323-D327 HydrophobicContact CD2-CB 4.46Å; D324-D327 PolarHBondContact O-N 3.12Å; D324-D327 WeakPolarHBondContact OD1-CB 3.44Å; D324-D327 PolarHBondContact OD1-N 2.77Å; D324-D327 VanDerWaalsContact OD1-OD2 3.06Å; D327-E329 PolarHBondContact O-N 2.93Å; D327-K330 PolarHBondContact O-N 2.98Å; D327-K330 WeakPolarHBondContact OD1-CD 3.13Å; D327-K330 VanDerWaalsContact OD1-CE 3.3Å; D327-K330 WeakPolarHBondContact OD1-CE 3.38Å; D327-K330 IonicContact OD1-NZ 3.4Å; D327-K330 PolarHBondContact OD1-NZ 3.28Å; D327-L335 WeakPolarHBondContact O-CD1 3.38Å; D327-A338 HydrophobicContact CB-CB 4.36Å; D327-R342 IonicContact OD2-CZ 3.5Å; D327-R342 IonicContact OD2-NH1 2.85Å; D327-R342 PolarHBondContact OD2-NH1 3.02Å; D327-R342 IonicContact OD2-NH2 3.59Å; D327-R342 PolarHBondContact OD2-NH2 3.38Å
328K85Confident88.2Confident153 Ų15377.1 Ų77.167%0.66538%0.383SS*.Hα-helixtrans-66.9-22.8173.9-73.8177.1-176.8-175.60113.1L323 D324 A325 E326L323-K328 HydrophobicContact CB-CG 3.99Å; L323-K328 WeakPolarHBondContact O-CE 3.44Å; D324-K328 WeakPolarHBondContact O-CG 3.32Å; D324-K328 PolarHBondContact O-N 3.48Å; D324-K328 VanDerWaalsContact O-N 3.16Å; A325-K328 PolarHBondContact O-N 3.45Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 PolarHBondContact O-N 3.41Å
329E87.3Confident88.5Confident166 Ų16669.3 Ų69.378%0.77635%0.349SS*.THydrogen-bonded Turntrans-86.6-15177.2-63.7-176.6173.300112.8E326 D327E326-E329 PolarHBondContact O-N 2.9Å; D327-E329 PolarHBondContact O-N 2.93Å
330K89.6Confident88.8Confident80 Ų8067.8 Ų67.835%0.34834%0.342SS..  trans-75.6146.3178.8-66.6174.1-169.1163.70110D327 P334 L335D327-K330 PolarHBondContact O-N 2.98Å; D327-K330 WeakPolarHBondContact OD1-CD 3.13Å; D327-K330 VanDerWaalsContact OD1-CE 3.3Å; D327-K330 WeakPolarHBondContact OD1-CE 3.38Å; D327-K330 IonicContact OD1-NZ 3.4Å; D327-K330 PolarHBondContact OD1-NZ 3.28Å; K330-P334 HydrophobicContact CB-CB 4.28Å; K330-P334 HydrophobicContact CD-CB 4.35Å; K330-P334 HydrophobicContact CG-CB 4.45Å; K330-L335 HydrophobicContact CB-CB 4.16Å; K330-L335 WeakPolarHBondContact O-CB 3.37Å; K330-L335 WeakPolarHBondContact O-CD2 3.32Å
331E88.9Confident89Confident93 Ų9363.9 Ų63.944%0.43532%0.317SS..  trans-133.6166.2173.1-62.4-171.6167.500110.7F307 K309 P334F307-E331 HydrophobicContact CD1-CB 4.23Å; F307-E331 HydrophobicContact CE1-CB 3.91Å; K309-E331 WeakPolarHBondContact CE-OE1 3.47Å; K309-E331 IonicContact NZ-OE1 2.78Å; K309-E331 PolarHBondContact NZ-OE1 3.19Å; E331-P334 VanDerWaalsContact O-CD 3.32Å; E331-P334 WeakPolarHBondContact O-CD 3.28Å
332G91Very high89.1Confident9 Ų967.7 Ų67.79%0.09333%0.33CS..Hα-helixtrans61.2-140178.400000114I304 L335 L336I304-G332 WeakPolarHBondContact CG2-O 3.46Å; G332-L335 PolarHBondContact O-N 2.87Å; G332-L336 PolarHBondContact O-N 2.77Å
333K89.5Confident89.3Confident125 Ų12561.2 Ų61.254%0.54330%0.301SS..Hα-helixtrans-57.2-42.7-176.3-67.6-174.9178.5-174.40114M305 L335 L336 K337M305-K333 HydrophobicContact CE-CG 4.01Å; M305-K333 HydrophobicContact SD-CG 4.04Å; K333-L335 PolarHBondContact O-N 3.15Å; K333-L336 PolarHBondContact O-N 2.82Å; K333-K337 WeakPolarHBondContact O-CB 3.46Å; K333-K337 PolarHBondContact O-N 3.1Å
334P90.4Very high89.7Confident75 Ų7560.5 Ų60.549%0.48730%0.297SS..Hα-helixtrans-57.3-44.2173.7-2935000114.3K330 E331 K337 A338K330-P334 HydrophobicContact CB-CB 4.28Å; K330-P334 HydrophobicContact CD-CB 4.35Å; K330-P334 HydrophobicContact CG-CB 4.45Å; E331-P334 VanDerWaalsContact O-CD 3.32Å; E331-P334 WeakPolarHBondContact O-CD 3.28Å; P334-K337 PolarHBondContact O-N 2.85Å; P334-A338 PolarHBondContact O-N 3.48Å; P334-A338 VanDerWaalsContact O-N 3.09Å
335L91.9Very high89.9Confident18 Ų1858.6 Ų58.69%0.09429%0.289CS..Hα-helixtrans-65.7-45.1176.8179.861.5000111.1I304 T312 L323 D327 K330 G332 K333 K337 A338 V339I304-L335 HydrophobicContact CG1-CD2 4.46Å; I304-L335 HydrophobicContact CG2-CB 4.23Å; I304-L335 HydrophobicContact CG2-CD2 4.14Å; I304-L335 HydrophobicContact CG2-CG 4.27Å; T312-L335 HydrophobicContact CG2-CD2 4.43Å; L323-L335 HydrophobicContact CD1-CD1 4.01Å; D327-L335 WeakPolarHBondContact O-CD1 3.38Å; K330-L335 HydrophobicContact CB-CB 4.16Å; K330-L335 WeakPolarHBondContact O-CB 3.37Å; K330-L335 WeakPolarHBondContact O-CD2 3.32Å; G332-L335 PolarHBondContact O-N 2.87Å; K333-L335 PolarHBondContact O-N 3.15Å; L335-K337 VanDerWaalsContact C-N 3.3Å; L335-K337 PolarHBondContact O-N 3.11Å; L335-A338 PolarHBondContact O-N 3.44Å; L335-A338 VanDerWaalsContact O-N 3.1Å; L335-V339 HydrophobicContact CD1-CG2 3.96Å; L335-V339 HydrophobicContact CG-CG2 4.19Å; L335-V339 WeakPolarHBondContact O-CG2 3.41Å; L335-V339 PolarHBondContact O-N 3.1Å
336L91.4Very high90.3Very high1 Ų155 Ų551%0.00526%0.26CS..Hα-helixtrans-56-46.5176.8-178.664.5000111.2V300 F301 I304 M305 G332 K333 A338 V339 M340V300-L336 HydrophobicContact CG1-CD1 4.07Å; F301-L336 HydrophobicContact CD1-CD1 4.43Å; F301-L336 HydrophobicContact CD1-CD2 3.83Å; F301-L336 HydrophobicContact CD2-CD1 3.94Å; F301-L336 HydrophobicContact CE1-CD2 3.72Å; F301-L336 HydrophobicContact CE2-CD1 4.07Å; F301-L336 HydrophobicContact CG-CD1 4.14Å; F301-L336 HydrophobicContact CG-CD2 4.34Å; F301-L336 HydrophobicContact CZ-CD1 4.36Å; F301-L336 HydrophobicContact CZ-CD2 4.16Å; I304-L336 HydrophobicContact CD1-CD1 4Å; I304-L336 HydrophobicContact CG2-CB 3.95Å; M305-L336 HydrophobicContact CG-CD2 4.37Å; M305-L336 HydrophobicContact SD-CD2 4.16Å; G332-L336 PolarHBondContact O-N 2.77Å; K333-L336 PolarHBondContact O-N 2.82Å; L336-A338 VanDerWaalsContact C-N 3.35Å; L336-A338 PolarHBondContact O-N 3.44Å; L336-V339 PolarHBondContact O-N 3.09Å; L336-M340 HydrophobicContact CD1-CG 3.86Å; L336-M340 HydrophobicContact CG-CG 4.3Å; L336-M340 WeakPolarHBondContact O-CB 3.36Å; L336-M340 VanDerWaalsContact O-CG 3.23Å; L336-M340 WeakPolarHBondContact O-CG 3.42Å; L336-M340 PolarHBondContact O-N 3.37Å
337K90.4Very high90.5Very high46 Ų4648.5 Ų48.520%0.223%0.231CC..Hα-helixtrans-58.3-45.2175.9-173.7176.9179-179.80111.1E53 K333 P334 L335 R341E53-K337 IonicContact OE1-NZ 3Å; E53-K337 PolarHBondContact OE1-NZ 2.8Å; K333-K337 WeakPolarHBondContact O-CB 3.46Å; K333-K337 PolarHBondContact O-N 3.1Å; P334-K337 PolarHBondContact O-N 2.85Å; L335-K337 VanDerWaalsContact C-N 3.3Å; L335-K337 PolarHBondContact O-N 3.11Å; K337-R341 VanDerWaalsContact O-CB 3.31Å; K337-R341 WeakPolarHBondContact O-CB 3.3Å; K337-R341 WeakPolarHBondContact O-CG 3.18Å; K337-R341 PolarHBondContact O-N 3.45Å; K337-R341 VanDerWaalsContact O-N 3.11Å
338A90.3Very high90.7Very high13 Ų1351.1 Ų51.111%0.10724%0.242CC..Hα-helixtrans-66.2-46.1179.600000112.8D327 P334 L335 L336 R342D327-A338 HydrophobicContact CB-CB 4.36Å; P334-A338 PolarHBondContact O-N 3.48Å; P334-A338 VanDerWaalsContact O-N 3.09Å; L335-A338 PolarHBondContact O-N 3.44Å; L335-A338 VanDerWaalsContact O-N 3.1Å; L336-A338 VanDerWaalsContact C-N 3.35Å; L336-A338 PolarHBondContact O-N 3.44Å; A338-R342 PolarHBondContact O-N 2.97Å
339V92.8Very high91.1Very high1 Ų143.9 Ų43.91%0.00621%0.211CC..Hα-helixtrans-62.6-51.3179.1171.90000110.5V300 I304 I316 L323 L335 L336 R341 R342 W343V300-V339 HydrophobicContact CG1-CG1 4.14Å; I304-V339 HydrophobicContact CD1-CB 4.15Å; I304-V339 HydrophobicContact CD1-CG1 4.29Å; I304-V339 HydrophobicContact CD1-CG2 4.03Å; I316-V339 HydrophobicContact CD1-CG2 4.29Å; I316-V339 HydrophobicContact CG1-CG2 4.43Å; L323-V339 HydrophobicContact CD1-CG2 4.33Å; L323-V339 HydrophobicContact CD2-CG2 4.05Å; L335-V339 HydrophobicContact CD1-CG2 3.96Å; L335-V339 HydrophobicContact CG-CG2 4.19Å; L335-V339 WeakPolarHBondContact O-CG2 3.41Å; L335-V339 PolarHBondContact O-N 3.1Å; L336-V339 PolarHBondContact O-N 3.09Å; V339-R341 PolarHBondContact O-N 2.93Å; V339-R342 PolarHBondContact O-N 3.18Å; V339-W343 WeakPolarHBondContact O-CB 3.42Å; V339-W343 PolarHBondContact O-N 3.48Å
340M93.8Very high91.5Very high0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-65.1-38-176.9-67.2-60.1-64.300112.5W221 I297 V300 F301 L336 R342 W343 L344W221-M340 HydrophobicContact CB-CB 3.88Å; W221-M340 HydrophobicContact CB-CE 4.48Å; W221-M340 HydrophobicContact CD2-CB 4.48Å; W221-M340 HydrophobicContact CD2-CE 3.34Å; W221-M340 HydrophobicContact CE3-CE 3.39Å; W221-M340 HydrophobicContact CG-CB 3.75Å; W221-M340 HydrophobicContact CG-CE 3.82Å; W221-M340 HydrophobicContact CG-CG 4.46Å; W221-M340 HydrophobicContact CH2-CE 4.03Å; W221-M340 HydrophobicContact CZ2-CE 4.01Å; W221-M340 HydrophobicContact CZ3-CE 3.72Å; I297-M340 HydrophobicContact CG2-CE 4.33Å; V300-M340 HydrophobicContact CG1-SD 3.89Å; F301-M340 HydrophobicContact CE2-CE 3.92Å; F301-M340 HydrophobicContact CE2-CG 4.22Å; F301-M340 HydrophobicContact CE2-SD 3.96Å; L336-M340 HydrophobicContact CD1-CG 3.86Å; L336-M340 HydrophobicContact CG-CG 4.3Å; L336-M340 WeakPolarHBondContact O-CB 3.36Å; L336-M340 VanDerWaalsContact O-CG 3.23Å; L336-M340 WeakPolarHBondContact O-CG 3.42Å; L336-M340 PolarHBondContact O-N 3.37Å; M340-R342 VanDerWaalsContact C-N 3.31Å; M340-R342 PolarHBondContact O-N 3.49Å; M340-W343 HydrophobicContact CE-CE3 4.14Å; M340-W343 HydrophobicContact CE-CZ3 4.3Å; M340-W343 PolarHBondContact O-N 3.06Å; M340-W343 HydrophobicContact SD-CE3 3.85Å; M340-W343 HydrophobicContact SD-CZ3 4.2Å; M340-L344 HydrophobicContact CE-CD1 4.37Å; M340-L344 PolarHBondContact O-N 3.24Å
341R89.6Confident91.7Very high48 Ų4832.3 Ų32.318%0.18116%0.158CC..Hα-helixtrans-62.7-35.1176.7-80.2176.6174.4-153.6-10.7113.4S48 A51 H219 K337 V339 P345S48-R341 PolarHBondContact O-NH1 3.34Å; A51-R341 PolarHBondContact O-NH2 2.95Å; H219-R341 WeakPolarHBondContact O-CD 2.97Å; H219-R341 WeakPolarHBondContact O-CG 3.36Å; H219-R341 PolarHBondContact O-NE 3.37Å; K337-R341 VanDerWaalsContact O-CB 3.31Å; K337-R341 WeakPolarHBondContact O-CB 3.3Å; K337-R341 WeakPolarHBondContact O-CG 3.18Å; K337-R341 PolarHBondContact O-N 3.45Å; K337-R341 VanDerWaalsContact O-N 3.11Å; V339-R341 PolarHBondContact O-N 2.93Å; R341-P345 WeakPolarHBondContact O-CA 3.42Å; R341-P345 WeakPolarHBondContact O-CG 3.3Å
342R90.4Very high91.9Very high91 Ų9128.2 Ų28.234%0.34314%0.139SC..Hα-helixtrans-80.5-35.2177.5-70.6-169.3179.9112.1-5.4111.9V321 K322 D324 D327 A338 V339 M340V321-R342 HydrophobicContact CG1-CB 3.88Å; K322-R342 WeakPolarHBondContact O-CD 3.45Å; K322-R342 PolarHBondContact O-NE 3.02Å; D324-R342 IonicContact OD1-NH2 3.81Å; D324-R342 PolarHBondContact OD1-NH2 3.38Å; D324-R342 VanDerWaalsContact OD1-NH2 3.16Å; D324-R342 IonicContact OD2-NH2 3.04Å; D324-R342 PolarHBondContact OD2-NH2 3.05Å; D327-R342 IonicContact OD2-CZ 3.5Å; D327-R342 IonicContact OD2-NH1 2.85Å; D327-R342 PolarHBondContact OD2-NH1 3.02Å; D327-R342 IonicContact OD2-NH2 3.59Å; D327-R342 PolarHBondContact OD2-NH2 3.38Å; A338-R342 PolarHBondContact O-N 2.97Å; V339-R342 PolarHBondContact O-N 3.18Å; M340-R342 VanDerWaalsContact C-N 3.31Å; M340-R342 PolarHBondContact O-N 3.49Å
343W93.3Very high92.1Very high31 Ų3128 Ų2812%0.11714%0.136CC..Hα-helixtrans-74.7-46.4-178.3-17332.2000112.8F228 P296 I297 V300 L319 V321 V339 M340F228-W343 HydrophobicContact CE1-CZ2 4.43Å; F228-W343 HydrophobicContact CZ-CZ2 4.43Å; P296-W343 HydrophobicContact CB-CH2 3.97Å; P296-W343 HydrophobicContact CB-CZ2 4.48Å; I297-W343 HydrophobicContact CG1-CH2 3.83Å; I297-W343 HydrophobicContact CG1-CZ3 3.72Å; V300-W343 HydrophobicContact CG2-CE3 4.41Å; V300-W343 HydrophobicContact CG2-CZ3 4Å; L319-W343 HydrophobicContact CD1-CD2 3.94Å; L319-W343 HydrophobicContact CD1-CE3 4.08Å; L319-W343 HydrophobicContact CD1-CG 4.49Å; L319-W343 HydrophobicContact CD1-CH2 4.29Å; L319-W343 HydrophobicContact CD1-CZ2 4.14Å; L319-W343 HydrophobicContact CD1-CZ3 4.25Å; L319-W343 HydrophobicContact CD2-CH2 4.25Å; L319-W343 HydrophobicContact CD2-CZ2 3.54Å; L319-W343 HydrophobicContact CG-CZ2 4.42Å; V321-W343 HydrophobicContact CG2-CB 3.76Å; V321-W343 HydrophobicContact CG2-CG 4.05Å; V339-W343 WeakPolarHBondContact O-CB 3.42Å; V339-W343 PolarHBondContact O-N 3.48Å; M340-W343 HydrophobicContact CE-CE3 4.14Å; M340-W343 HydrophobicContact CE-CZ3 4.3Å; M340-W343 PolarHBondContact O-N 3.06Å; M340-W343 HydrophobicContact SD-CE3 3.85Å; M340-W343 HydrophobicContact SD-CZ3 4.2Å
344L94.3Very high92.4Very high12 Ų1222 Ų226%0.06311%0.11CC..SBendtrans-13572.4-175.4-63172.7000110.8W221 A222 F223 F228 I297 M340 A346W221-L344 CarbonylContact C-O 3.55Å; W221-L344 WeakPolarHBondContact CA-O 3.24Å; W221-L344 HydrophobicContact CB-CB 4.42Å; W221-L344 VanDerWaalsContact CB-O 3.25Å; W221-L344 WeakPolarHBondContact CB-O 3.39Å; W221-L344 HydrophobicContact CE3-CD1 4.18Å; W221-L344 HydrophobicContact CZ3-CD1 4.45Å; A222-L344 PolarHBondContact N-O 2.8Å; F223-L344 HydrophobicContact CB-CD1 4.32Å; F223-L344 HydrophobicContact CB-CD2 4.18Å; F223-L344 HydrophobicContact CD1-CD1 4.08Å; F223-L344 HydrophobicContact CG-CD1 4.47Å; F228-L344 HydrophobicContact CE2-CD1 4.07Å; F228-L344 HydrophobicContact CE2-CD2 4.04Å; F228-L344 HydrophobicContact CZ-CD1 4Å; F228-L344 HydrophobicContact CZ-CD2 4.23Å; I297-L344 HydrophobicContact CD1-CD1 4.47Å; M340-L344 HydrophobicContact CE-CD1 4.37Å; M340-L344 PolarHBondContact O-N 3.24Å; L344-A346 PolarHBondContact O-N 3.49Å
345P92.4Very high92.6Very high36 Ų3618.4 Ų18.423%0.2349%0.087CC..BIsolated β-bridgetrans-61.7121.9-175-17.327.8000112.5R341 G347 E348 A349R341-P345 WeakPolarHBondContact O-CA 3.42Å; R341-P345 WeakPolarHBondContact O-CG 3.3Å; P345-G347 PolarHBondContact O-N 2.76Å; P345-E348 HydrophobicContact CB-CB 4.31Å; P345-E348 WeakPolarHBondContact O-CB 3.22Å; P345-E348 PolarHBondContact O-N 3.2Å; P345-E348 VanDerWaalsContact O-N 3.16Å; P345-A349 PolarHBondContact O-N 2.87Å
346A92.2Very high92.7Very high3 Ų318.2 Ų18.23%0.0259%0.085CC..Hα-helixtrans-60.2-43.5-173.200000114G220 A222 L344 E348 A349 L350G220-A346 WeakPolarHBondContact O-CB 3.39Å; G220-A346 PolarHBondContact O-N 2.96Å; A222-A346 HydrophobicContact CB-CB 3.75Å; L344-A346 PolarHBondContact O-N 3.49Å; A346-E348 PolarHBondContact O-N 3.03Å; A346-A349 PolarHBondContact O-N 3.43Å; A346-L350 WeakPolarHBondContact O-CG 3.45Å; A346-L350 PolarHBondContact O-N 2.56Å; A346-L350 VanDerWaalsContact O-N 3.14Å
347G89.9Confident92.9Very high5 Ų520.1 Ų20.15%0.0529%0.094CC..Hα-helixtrans-60.4-31.9-178.800000112.7P345 L351P345-G347 PolarHBondContact O-N 2.76Å; G347-L351 VanDerWaalsContact O-CB 3.26Å; G347-L351 WeakPolarHBondContact O-CB 3.47Å; G347-L351 WeakPolarHBondContact O-CD1 3.42Å; G347-L351 WeakPolarHBondContact O-CG 3.14Å; G347-L351 PolarHBondContact O-N 2.66Å
348E90.8Very high93.2Very high67 Ų6718 Ų1831%0.3139%0.085SC..Hα-helixtrans-71.3-47.4-179.9-165.4165.7134.500112K42 P345 A346 L350 L351 Q352K42-E348 IonicContact NZ-OE2 3.44Å; K42-E348 PolarHBondContact NZ-OE2 3.44Å; P345-E348 HydrophobicContact CB-CB 4.31Å; P345-E348 WeakPolarHBondContact O-CB 3.22Å; P345-E348 PolarHBondContact O-N 3.2Å; P345-E348 VanDerWaalsContact O-N 3.16Å; A346-E348 PolarHBondContact O-N 3.03Å; E348-L350 VanDerWaalsContact C-N 3.3Å; E348-L350 PolarHBondContact O-N 3.16Å; E348-L351 PolarHBondContact O-N 3.13Å; E348-Q352 VanDerWaalsContact O-CB 3.24Å; E348-Q352 WeakPolarHBondContact O-CB 3.42Å; E348-Q352 PolarHBondContact O-N 3.3Å
349A93.4Very high93.5Very high1 Ų117.4 Ų17.41%0.0088%0.08CC..Hα-helixtrans-58.1-44.6176.500000111.6A222 T224 P345 A346 M353A222-A349 HydrophobicContact CB-CB 4.3Å; A222-A349 WeakPolarHBondContact O-CB 3.23Å; T224-A349 HydrophobicContact CG2-CB 4.45Å; P345-A349 PolarHBondContact O-N 2.87Å; A346-A349 PolarHBondContact O-N 3.43Å; A349-M353 WeakPolarHBondContact O-CB 3.46Å; A349-M353 PolarHBondContact O-N 3.12Å
350L94.9Very high93.7Very high1 Ų117.3 Ų17.31%0.0058%0.08CC..Hα-helixtrans-69-46.8-179.5-66.5175000112.5L35 L39 L126 M156 A346 E348 Q352 M353 I354L35-L350 HydrophobicContact CD2-CD1 4.21Å; L39-L350 HydrophobicContact CD2-CB 3.69Å; L39-L350 HydrophobicContact CD2-CD1 4.08Å; L39-L350 HydrophobicContact CG-CD1 4.19Å; L126-L350 HydrophobicContact CD1-CD2 4.24Å; L126-L350 HydrophobicContact CD2-CD2 4.23Å; M156-L350 HydrophobicContact CB-CD2 4.18Å; M156-L350 HydrophobicContact CG-CD2 4.05Å; M156-L350 HydrophobicContact SD-CD2 3.95Å; A346-L350 WeakPolarHBondContact O-CG 3.45Å; A346-L350 PolarHBondContact O-N 2.56Å; A346-L350 VanDerWaalsContact O-N 3.14Å; E348-L350 VanDerWaalsContact C-N 3.3Å; E348-L350 PolarHBondContact O-N 3.16Å; L350-Q352 VanDerWaalsContact C-N 3.32Å; L350-Q352 PolarHBondContact O-N 3.12Å; L350-M353 HydrophobicContact CD2-CE 3.98Å; L350-M353 PolarHBondContact O-N 3.41Å; L350-I354 WeakPolarHBondContact O-CB 3.35Å; L350-I354 WeakPolarHBondContact O-CD1 3.44Å; L350-I354 WeakPolarHBondContact O-CG1 3.06Å; L350-I354 PolarHBondContact O-N 3.39Å
351L93.4Very high93.9Very high3 Ų317.3 Ų17.32%0.0168%0.08CC..Hα-helixtrans-64.1-39.1179.9-70.7168.3000111.6L39 K42 Y79 I100 G347 E348 I354 T355L39-L351 HydrophobicContact CD2-CD2 3.91Å; L39-L351 HydrophobicContact CD2-CG 3.79Å; K42-L351 HydrophobicContact CB-CD1 4.19Å; K42-L351 HydrophobicContact CG-CD1 3.73Å; Y79-L351 HydrophobicContact CD1-CB 3.68Å; Y79-L351 HydrophobicContact CD1-CD1 4.37Å; Y79-L351 HydrophobicContact CD1-CG 4.47Å; Y79-L351 HydrophobicContact CD2-CB 4.35Å; Y79-L351 HydrophobicContact CD2-CD1 3.6Å; Y79-L351 HydrophobicContact CE1-CB 3.63Å; Y79-L351 HydrophobicContact CE2-CB 4.37Å; Y79-L351 HydrophobicContact CE2-CD1 3.93Å; Y79-L351 HydrophobicContact CG-CB 4.04Å; Y79-L351 HydrophobicContact CG-CD1 3.85Å; Y79-L351 HydrophobicContact CG-CD2 4.48Å; Y79-L351 HydrophobicContact CG-CG 4.35Å; I100-L351 HydrophobicContact CD1-CD2 3.41Å; I100-L351 VanDerWaalsContact CD1-CD2 3.41Å; G347-L351 VanDerWaalsContact O-CB 3.26Å; G347-L351 WeakPolarHBondContact O-CB 3.47Å; G347-L351 WeakPolarHBondContact O-CD1 3.42Å; G347-L351 WeakPolarHBondContact O-CG 3.14Å; G347-L351 PolarHBondContact O-N 2.66Å; E348-L351 PolarHBondContact O-N 3.13Å; L351-I354 PolarHBondContact O-N 2.87Å; L351-T355 WeakPolarHBondContact O-CB 3.47Å; L351-T355 WeakPolarHBondContact O-CG2 3.1Å; L351-T355 PolarHBondContact O-N 2.81Å; L351-T355 PolarHBondContact O-OG1 3.17Å
352Q93.2Very high94.2Very high7 Ų716.4 Ų16.43%0.0338%0.079CC..Hα-helixtrans-63.5-45.4174.8-166.6-177.655.600111.1D85 K226 E348 L350 T355 I356D85-Q352 VanDerWaalsContact CG-NE2 3.34Å; D85-Q352 PolarHBondContact OD1-NE2 3.37Å; D85-Q352 PolarHBondContact OD2-NE2 3.42Å; K226-Q352 HydrophobicContact CD-CG 4.42Å; E348-Q352 VanDerWaalsContact O-CB 3.24Å; E348-Q352 WeakPolarHBondContact O-CB 3.42Å; E348-Q352 PolarHBondContact O-N 3.3Å; L350-Q352 VanDerWaalsContact C-N 3.32Å; L350-Q352 PolarHBondContact O-N 3.12Å; Q352-T355 PolarHBondContact O-OG1 3.4Å; Q352-T355 VanDerWaalsContact O-OG1 3.12Å; Q352-I356 HydrophobicContact CG-CD1 3.71Å; Q352-I356 WeakPolarHBondContact O-CB 3.3Å; Q352-I356 WeakPolarHBondContact O-CD1 3.4Å; Q352-I356 WeakPolarHBondContact O-CG1 3.32Å; Q352-I356 PolarHBondContact O-N 3.19Å; Q352-I356 VanDerWaalsContact O-N 3.13Å
353M95.7Very high94.5Very high3 Ų314.2 Ų14.22%0.0158%0.076CC..Hα-helixtrans-61-46175.8-176.7173.36900112L126 V154 G210 T211 T224 A349 L350 H357L126-M353 HydrophobicContact CD1-CE 3.52Å; V154-M353 HydrophobicContact CB-CE 4.03Å; V154-M353 HydrophobicContact CB-CG 4.18Å; V154-M353 HydrophobicContact CB-SD 4.07Å; V154-M353 HydrophobicContact CG1-CG 4.22Å; V154-M353 HydrophobicContact CG2-CE 3.9Å; G210-M353 WeakPolarHBondContact O-CG 3.41Å; T211-M353 VanDerWaalsContact C-SD 3.58Å; T224-M353 HydrophobicContact CG2-CB 4.36Å; T224-M353 HydrophobicContact CG2-SD 4.47Å; A349-M353 WeakPolarHBondContact O-CB 3.46Å; A349-M353 PolarHBondContact O-N 3.12Å; L350-M353 HydrophobicContact CD2-CE 3.98Å; L350-M353 PolarHBondContact O-N 3.41Å; M353-H357 WeakPolarHBondContact O-CB 3.48Å; M353-H357 PolarHBondContact O-CD2 2.94Å; M353-H357 PolarHBondContact O-N 3.37Å
354I95.9Very high94.6Very high0 Ų012.7 Ų12.70%07%0.07CC..Hα-helixtrans-60.6-50.3180-74.4164.2000111.3R20 M22 I100 L350 L351 L358R20-I354 HydrophobicContact CB-CG2 4.18Å; R20-I354 HydrophobicContact CG-CG2 4.24Å; M22-I354 HydrophobicContact CE-CD1 3.98Å; M22-I354 HydrophobicContact CE-CG1 4.19Å; M22-I354 HydrophobicContact SD-CD1 4.38Å; I100-I354 HydrophobicContact CD1-CG2 3.9Å; I100-I354 HydrophobicContact CG1-CG2 4.32Å; I100-I354 HydrophobicContact CG2-CG2 4.01Å; L350-I354 WeakPolarHBondContact O-CB 3.35Å; L350-I354 WeakPolarHBondContact O-CD1 3.44Å; L350-I354 WeakPolarHBondContact O-CG1 3.06Å; L350-I354 PolarHBondContact O-N 3.39Å; L351-I354 PolarHBondContact O-N 2.87Å; I354-L358 HydrophobicContact CB-CD1 4.42Å; I354-L358 HydrophobicContact CG1-CD1 4.22Å; I354-L358 HydrophobicContact CG2-CD1 4.1Å; I354-L358 VanDerWaalsContact O-CB 3.26Å; I354-L358 WeakPolarHBondContact O-CB 3.48Å; I354-L358 PolarHBondContact O-N 3.37Å
355T94.8Very high94.7Very high0 Ų012.1 Ų12.10%07%0.067CC..Hα-helixtrans-68.7-36.8-174.847.60000112.6R20 Y79 L81 F98 I100 L351 Q352R20-T355 PolarHBondContact NE-O 2.84Å; R20-T355 PolarHBondContact NH2-O 2.6Å; Y79-T355 HydrophobicContact CD1-CG2 4.29Å; L81-T355 HydrophobicContact CD1-CG2 4.49Å; L81-T355 WeakPolarHBondContact CD1-OG1 3.17Å; F98-T355 HydrophobicContact CB-CG2 3.88Å; F98-T355 HydrophobicContact CD1-CG2 4.01Å; F98-T355 HydrophobicContact CD2-CG2 4.24Å; F98-T355 HydrophobicContact CG-CG2 3.77Å; I100-T355 HydrophobicContact CD1-CG2 3.94Å; L351-T355 WeakPolarHBondContact O-CB 3.47Å; L351-T355 WeakPolarHBondContact O-CG2 3.1Å; L351-T355 PolarHBondContact O-N 2.81Å; L351-T355 PolarHBondContact O-OG1 3.17Å; Q352-T355 PolarHBondContact O-OG1 3.4Å; Q352-T355 VanDerWaalsContact O-OG1 3.12Å
356I94.6Very high94.8Very high13 Ų1316.8 Ų16.87%0.0678%0.084CC..Hα-helixtrans-75.5-45.9-179.7-64.5173000112.1F88 I89 K226 Q352F88-I356 HydrophobicContact CB-CD1 4.11Å; F88-I356 HydrophobicContact CB-CG2 4.23Å; I89-I356 HydrophobicContact CG1-CG1 4.15Å; K226-I356 HydrophobicContact CD-CD1 4.01Å; Q352-I356 HydrophobicContact CG-CD1 3.71Å; Q352-I356 WeakPolarHBondContact O-CB 3.3Å; Q352-I356 WeakPolarHBondContact O-CD1 3.4Å; Q352-I356 WeakPolarHBondContact O-CG1 3.32Å; Q352-I356 PolarHBondContact O-N 3.19Å; Q352-I356 VanDerWaalsContact O-N 3.13Å
357H95.4Very high94.8Very high41 Ų4117.9 Ų17.919%0.199%0.087CC..Hα-helixtrans-101.5-34.1-166.7-61.3-66.7000114.3V154 I209 G210 T211 M353V154-H357 HydrophobicContact CG1-CB 3.92Å; I209-H357 PolarHBondContact O-CE1 3.35Å; I209-H357 PolarHBondContact O-NE2 3.09Å; G210-H357 PolarHBondContact O-NE2 3.29Å; T211-H357 HydrophobicContact CG2-CB 4.21Å; M353-H357 WeakPolarHBondContact O-CB 3.48Å; M353-H357 PolarHBondContact O-CD2 2.94Å; M353-H357 PolarHBondContact O-N 3.37Å
358L96.6Very high95Very high1 Ų117.7 Ų17.71%0.0059%0.085CC..SBendtrans-73.2144.5179-61.4-172.8000110.9R20 M22 Q91 K152 V154 I354R20-L358 WeakPolarHBondContact CD-O 3.36Å; R20-L358 PolarHBondContact NE-O 3.07Å; M22-L358 HydrophobicContact CB-CD1 3.76Å; M22-L358 HydrophobicContact CE-CD1 4.08Å; M22-L358 HydrophobicContact CG-CD1 4.23Å; Q91-L358 PolarHBondContact NE2-O 3.05Å; Q91-L358 VanDerWaalsContact NE2-O 3.09Å; K152-L358 WeakPolarHBondContact O-CD2 3.46Å; V154-L358 HydrophobicContact CB-CD2 4.45Å; V154-L358 HydrophobicContact CG1-CD2 3.72Å; V154-L358 HydrophobicContact CG1-CG 4.32Å; V154-L358 HydrophobicContact CG2-CD1 4.37Å; V154-L358 HydrophobicContact CG2-CD2 4.02Å; V154-L358 HydrophobicContact CG2-CG 4.31Å; I354-L358 HydrophobicContact CB-CD1 4.42Å; I354-L358 HydrophobicContact CG1-CD1 4.22Å; I354-L358 HydrophobicContact CG2-CD1 4.1Å; I354-L358 VanDerWaalsContact O-CB 3.26Å; I354-L358 WeakPolarHBondContact O-CB 3.48Å; I354-L358 PolarHBondContact O-N 3.37Å
359P96.3Very high95.2Very high1 Ų114.6 Ų14.61%0.0067%0.071CC..PPolyproline II helixtrans-74.5150.4-177.828.3-32000112.8R20 Q91 D123 K152 T363 A364R20-P359 WeakPolarHBondContact CD-O 3.43Å; Q91-P359 VanDerWaalsContact OE1-CA 3.25Å; D123-P359 HydrophobicContact CB-CG 4.26Å; D123-P359 WeakPolarHBondContact O-CG 3.45Å; K152-P359 HydrophobicContact CB-CG 4.37Å; K152-P359 HydrophobicContact CD-CG 4.23Å; K152-P359 HydrophobicContact CG-CG 4.23Å; P359-T363 HydrophobicContact CB-CG2 4.26Å; P359-A364 HydrophobicContact CB-CB 4.28Å; P359-A364 HydrophobicContact CG-CB 4.26Å
360S97.2Very high95Very high0 Ų021.5 Ų21.50%010%0.103CC..PPolyproline II helixtrans-72.9157.8164.178.20000111.1S17 I19 Q91 V362 T363 A364S17-S360 VanDerWaalsContact O-CB 3.26Å; S17-S360 WeakPolarHBondContact O-CB 3.49Å; I19-S360 WeakPolarHBondContact O-CA 3.38Å; Q91-S360 VanDerWaalsContact OE1-N 3.11Å; S360-V362 PolarHBondContact O-N 2.93Å; S360-V362 PolarHBondContact OG-N 2.95Å; S360-T363 WeakPolarHBondContact O-CB 3.32Å; S360-T363 PolarHBondContact O-N 3.26Å; S360-T363 PolarHBondContact OG-N 3.39Å; S360-T363 PolarHBondContact OG-OG1 3.13Å; S360-T363 VanDerWaalsContact OG-OG1 3.05Å; S360-A364 WeakPolarHBondContact O-CB 3.35Å; S360-A364 PolarHBondContact O-N 3.29Å
361P97.3Very high94.7Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-46.9-42.5167.8-33.537.2000114.2K16 I19 N21 T363 A364 Q365 R415 G467K16-P361 WeakPolarHBondContact O-CD 3.43Å; I19-P361 HydrophobicContact CB-CG 3.98Å; I19-P361 HydrophobicContact CG2-CG 3.96Å; I19-P361 WeakPolarHBondContact O-CD 3.44Å; N21-P361 WeakPolarHBondContact ND2-CG 3.43Å; P361-T363 VanDerWaalsContact C-N 3.27Å; P361-T363 PolarHBondContact O-N 2.89Å; P361-A364 PolarHBondContact O-N 3.14Å; P361-Q365 VanDerWaalsContact O-CB 3.3Å; P361-Q365 WeakPolarHBondContact O-CB 3.28Å; P361-Q365 VanDerWaalsContact O-CG 3.22Å; P361-Q365 WeakPolarHBondContact O-CG 3.49Å; P361-Q365 PolarHBondContact O-N 2.67Å; P361-R415 VanDerWaalsContact CB-NH2 3.33Å; P361-G467 WeakPolarHBondContact CG-O 3.23Å
362V96.8Very high94.7Very high29 Ų2922.9 Ų22.918%0.17611%0.11CC..Hα-helixtrans-64.1-34.4-179.5-175.60000111.4K16 S360 K366 C388K16-V362 HydrophobicContact CB-CG2 3.62Å; S360-V362 PolarHBondContact O-N 2.93Å; S360-V362 PolarHBondContact OG-N 2.95Å; V362-K366 WeakPolarHBondContact O-CD 3.42Å; V362-K366 WeakPolarHBondContact O-CE 3.33Å; V362-K366 WeakPolarHBondContact O-CG 3.09Å; V362-C388 HydrophobicContact CG2-CB 4.19Å
363T95.7Very high94.7Very high44 Ų4423.1 Ų23.127%0.2711%0.111SC..Hα-helixtrans-77.6-48.2175.4-48.30000110.6Q91 P359 S360 P361 Y367Q91-T363 PolarHBondContact OE1-OG1 3.33Å; P359-T363 HydrophobicContact CB-CG2 4.26Å; S360-T363 WeakPolarHBondContact O-CB 3.32Å; S360-T363 PolarHBondContact O-N 3.26Å; S360-T363 PolarHBondContact OG-N 3.39Å; S360-T363 PolarHBondContact OG-OG1 3.13Å; S360-T363 VanDerWaalsContact OG-OG1 3.05Å; P361-T363 VanDerWaalsContact C-N 3.27Å; P361-T363 PolarHBondContact O-N 2.89Å; T363-Y367 WeakPolarHBondContact O-CD1 3.21Å; T363-Y367 WeakPolarHBondContact O-CE1 3.38Å
364A95.9Very high94.5Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-67.9-45.8-171.900000112.8D123 P359 S360 P361 K366 Y367 R368D123-A364 HydrophobicContact CB-CB 3.85Å; D123-A364 WeakPolarHBondContact OD1-CB 3.03Å; P359-A364 HydrophobicContact CB-CB 4.28Å; P359-A364 HydrophobicContact CG-CB 4.26Å; S360-A364 WeakPolarHBondContact O-CB 3.35Å; S360-A364 PolarHBondContact O-N 3.29Å; P361-A364 PolarHBondContact O-N 3.14Å; A364-K366 PolarHBondContact O-N 3.46Å; A364-Y367 VanDerWaalsContact CA-CE1 3.46Å; A364-Y367 HydrophobicContact CB-CE1 4.41Å; A364-Y367 PolarHBondContact O-N 3.12Å; A364-R368 WeakPolarHBondContact O-CB 3.42Å; A364-R368 VanDerWaalsContact O-CG 3.28Å; A364-R368 WeakPolarHBondContact O-CG 3.4Å; A364-R368 PolarHBondContact O-N 3.12Å
365Q96.1Very high94.2Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-65.1-26.9-174.8-67.9177.31.600113.1P361 Y367 R368 C369 I385 C388 F417P361-Q365 VanDerWaalsContact O-CB 3.3Å; P361-Q365 WeakPolarHBondContact O-CB 3.28Å; P361-Q365 VanDerWaalsContact O-CG 3.22Å; P361-Q365 WeakPolarHBondContact O-CG 3.49Å; P361-Q365 PolarHBondContact O-N 2.67Å; Q365-Y367 VanDerWaalsContact C-N 3.33Å; Q365-Y367 PolarHBondContact O-N 3.42Å; Q365-R368 PolarHBondContact O-N 3.24Å; Q365-C369 WeakPolarHBondContact O-CB 3.35Å; Q365-C369 PolarHBondContact O-N 2.9Å; Q365-I385 HydrophobicContact CB-CG2 4.4Å; Q365-I385 VanDerWaalsContact CB-O 3.23Å; Q365-I385 WeakPolarHBondContact CB-O 3.38Å; Q365-I385 PolarHBondContact OE1-O 2.72Å; Q365-C388 PolarHBondContact OE1-SG 3.02Å; Q365-F417 HydrophobicContact CG-CD1 4.07Å; Q365-F417 PolarHBondContact OE1-O 3.3Å
366K94.3Very high94.1Very high134 Ų13430 Ų3058%0.58315%0.152SC*.Hα-helixtrans-55.4-46.1176.1-73.8176.9-178.1-176.80112.7V362 A364 K386V362-K366 WeakPolarHBondContact O-CD 3.42Å; V362-K366 WeakPolarHBondContact O-CE 3.33Å; V362-K366 WeakPolarHBondContact O-CG 3.09Å; A364-K366 PolarHBondContact O-N 3.46Å; K366-K386 WeakPolarHBondContact CG-O 3.35Å
367Y93.1Very high93.8Very high25 Ų2531.3 Ų31.310%0.09817%0.169CC..Hα-helixtrans-94.1-19.4179.362.7-102.1000113.3R150 M200 T363 A364 Q365R150-Y367 HydrophobicContact CB-CD2 4.16Å; R150-Y367 HydrophobicContact CB-CE2 3.94Å; R150-Y367 PolarHBondContact NH1-O 2.95Å; R150-Y367 WeakPolarHBondContact O-CE2 3.4Å; M200-Y367 HydrophobicContact CG-CD2 3.95Å; M200-Y367 HydrophobicContact CG-CE2 3.82Å; M200-Y367 HydrophobicContact SD-CE2 4.3Å; T363-Y367 WeakPolarHBondContact O-CD1 3.21Å; T363-Y367 WeakPolarHBondContact O-CE1 3.38Å; A364-Y367 VanDerWaalsContact CA-CE1 3.46Å; A364-Y367 HydrophobicContact CB-CE1 4.41Å; A364-Y367 PolarHBondContact O-N 3.12Å; Q365-Y367 VanDerWaalsContact C-N 3.33Å; Q365-Y367 PolarHBondContact O-N 3.42Å
368R94.1Very high93.6Very high1 Ų135.6 Ų35.60%0.00419%0.194CC..Hα-helixtrans-86.9-18.7178.8-66.1-173.872.6-157.87.5114.4T122 D123 E149 R150 A364 Q365 E370 L371 L372T122-R368 PolarHBondContact O-NH1 2.91Å; D123-R368 IonicContact OD1-NH1 2.83Å; D123-R368 PolarHBondContact OD1-NH1 2.84Å; E149-R368 VanDerWaalsContact O-CZ 3.25Å; E149-R368 PolarHBondContact O-NE 2.75Å; E149-R368 PolarHBondContact O-NH2 2.88Å; E149-R368 IonicContact OE2-NH2 3.87Å; R150-R368 HydrophobicContact CB-CG 3.92Å; A364-R368 WeakPolarHBondContact O-CB 3.42Å; A364-R368 VanDerWaalsContact O-CG 3.28Å; A364-R368 WeakPolarHBondContact O-CG 3.4Å; A364-R368 PolarHBondContact O-N 3.12Å; Q365-R368 PolarHBondContact O-N 3.24Å; R368-E370 VanDerWaalsContact C-N 3.27Å; R368-E370 PolarHBondContact O-N 3.05Å; R368-L371 WeakPolarHBondContact O-CB 3.11Å; R368-L371 PolarHBondContact O-N 3.23Å; R368-L372 HydrophobicContact CB-CD1 3.76Å; R368-L372 HydrophobicContact CB-CG 4.19Å; R368-L372 WeakPolarHBondContact O-CB 3.4Å; R368-L372 VanDerWaalsContact O-CG 3.29Å; R368-L372 WeakPolarHBondContact O-CG 3.48Å; R368-L372 PolarHBondContact O-N 2.9Å
369C94.3Very high93.4Very high2 Ų236.8 Ų36.81%0.01420%0.2CC..Hα-helixtrans-53.6-43.7-176.4-177.60000113Q365 L371 L372 Y373 A382 I385 K386Q365-C369 WeakPolarHBondContact O-CB 3.35Å; Q365-C369 PolarHBondContact O-N 2.9Å; C369-L371 VanDerWaalsContact C-N 3.26Å; C369-L371 PolarHBondContact O-N 3.03Å; C369-L372 PolarHBondContact O-N 3Å; C369-Y373 WeakPolarHBondContact O-CB 3.47Å; C369-Y373 PolarHBondContact O-N 3.32Å; C369-A382 PolarHBondContact SG-O 3.33Å; C369-A382 VanDerWaalsContact SG-O 3.36Å; C369-I385 HydrophobicContact CB-CG2 3.89Å; C369-K386 HydrophobicContact CB-CD 4.43Å; C369-K386 HydrophobicContact CB-CG 3.46Å; C369-K386 VanDerWaalsContact CB-CG 3.46Å
370E90.1Very high93.4Very high146 Ų14642.1 Ų42.168%0.68223%0.225SC*.Hα-helixtrans-59.5-36.6177.9-179.9-171.2-156.800112.6R150 R368R150-E370 IonicContact CZ-OE2 3.76Å; R150-E370 IonicContact NH1-OE2 3.66Å; R150-E370 PolarHBondContact NH1-OE2 2.83Å; R150-E370 IonicContact NH2-OE2 3.54Å; R368-E370 VanDerWaalsContact C-N 3.27Å; R368-E370 PolarHBondContact O-N 3.05Å
371L89Confident93.2Very high31 Ų3142.1 Ų42.116%0.16223%0.225CC..Hα-helixtrans-75.6-39178.3-17971000111.8A148 R150 R368 C369 R495A148-L371 WeakPolarHBondContact O-CD2 3.22Å; R150-L371 HydrophobicContact CB-CD2 4.37Å; R150-L371 HydrophobicContact CG-CD2 4.2Å; R368-L371 WeakPolarHBondContact O-CB 3.11Å; R368-L371 PolarHBondContact O-N 3.23Å; C369-L371 VanDerWaalsContact C-N 3.26Å; C369-L371 PolarHBondContact O-N 3.03Å; L371-R495 WeakPolarHBondContact O-CD 3.29Å
372L92.2Very high93.2Very high2 Ų242.1 Ų42.11%0.0123%0.225CC..Hα-helixtrans-83.9-30.5-169.2-68.9173.3000113.6R368 C369 F417 M494 R495R368-L372 HydrophobicContact CB-CD1 3.76Å; R368-L372 HydrophobicContact CB-CG 4.19Å; R368-L372 WeakPolarHBondContact O-CB 3.4Å; R368-L372 VanDerWaalsContact O-CG 3.29Å; R368-L372 WeakPolarHBondContact O-CG 3.48Å; R368-L372 PolarHBondContact O-N 2.9Å; C369-L372 PolarHBondContact O-N 3Å; L372-F417 HydrophobicContact CD1-CD1 4Å; L372-F417 HydrophobicContact CD1-CE1 3.46Å; L372-F417 VanDerWaalsContact CD1-CE1 3.46Å; L372-F417 HydrophobicContact CD1-CZ 4.07Å; L372-M494 HydrophobicContact CB-CE 3.79Å; L372-M494 HydrophobicContact CD1-CE 4.47Å; L372-M494 CarbonylContact O-C 3.3Å; L372-M494 WeakPolarHBondContact O-CA 3.41Å; L372-M494 WeakPolarHBondContact O-CB 3.46Å; L372-R495 PolarHBondContact O-N 3.28Å
373Y94.3Very high93.2Very high13 Ų1345.5 Ų45.55%0.05124%0.24CC..BIsolated β-bridgetrans-110.4130.9-172.4-174-118.2000111.2C369 D379 A381 A382 I385 M395 H492C369-Y373 WeakPolarHBondContact O-CB 3.47Å; C369-Y373 PolarHBondContact O-N 3.32Å; Y373-D379 VanDerWaalsContact CE1-OD1 3.31Å; Y373-D379 WeakPolarHBondContact CE1-OD1 3.11Å; Y373-D379 WeakPolarHBondContact CE1-OD2 3.44Å; Y373-D379 VanDerWaalsContact CZ-OD2 3.29Å; Y373-D379 PolarHBondContact OH-OD2 3.25Å; Y373-A381 HydrophobicContact CE2-CB 4.27Å; Y373-A382 HydrophobicContact CD1-CB 3.78Å; Y373-A382 HydrophobicContact CE1-CB 3.94Å; Y373-I385 HydrophobicContact CD2-CD1 4.19Å; Y373-I385 HydrophobicContact CG-CD1 4.27Å; Y373-M395 HydrophobicContact CD2-CE 3.97Å; Y373-M395 HydrophobicContact CE2-CE 3.64Å; Y373-H492 HydrophobicContact CE2-CB 3.88Å; Y373-H492 WeakPolarHBondContact CE2-O 3.4Å; Y373-H492 PolarHBondContact OH-N 3.45Å
374E90.7Very high93.2Very high69 Ų6943.5 Ų43.532%0.32223%0.229SC..  trans-86.4-12.3-178-58.7-169.2160.500113.7N493 R495 R625E374-N493 VanDerWaalsContact CB-O 3.3Å; E374-N493 WeakPolarHBondContact CB-O 3.49Å; E374-N493 WeakPolarHBondContact CG-O 3.38Å; E374-N493 PolarHBondContact N-O 3.09Å; E374-N493 VanDerWaalsContact N-O 3.11Å; E374-R495 HydrophobicContact CG-CB 4.09Å; E374-R495 WeakPolarHBondContact OE1-CA 3.46Å; E374-R625 IonicContact OE1-CZ 3.14Å; E374-R625 IonicContact OE1-NH1 3.16Å; E374-R625 PolarHBondContact OE1-NH1 3.21Å; E374-R625 IonicContact OE1-NH2 3.5Å; E374-R625 IonicContact OE2-CZ 3.14Å; E374-R625 IonicContact OE2-NH1 3.02Å; E374-R625 PolarHBondContact OE2-NH1 3.17Å; E374-R625 IonicContact OE2-NH2 2.72Å
375G90.1Very high93.3Very high16 Ų1643.5 Ų43.517%0.16523%0.229CC..SBendtrans-82.7-179-178.700000114G377G375-G377 PolarHBondContact O-N 2.85Å
376P91.6Very high93.3Very high61 Ų6146.8 Ų46.840%0.39624%0.243SC..  trans-57.3134.7176.4-22.333.5000111.8D378 D379 A382P376-D378 WeakPolarHBondContact CB-OD1 3.35Å; P376-D378 PolarHBondContact O-N 2.89Å; P376-D378 VanDerWaalsContact O-N 3.13Å; P376-D379 HydrophobicContact CB-CB 4.42Å; P376-D379 PolarHBondContact O-N 2.91Å; P376-A382 WeakPolarHBondContact O-CB 3.21Å
377G89.6Confident93.4Very high41 Ų4143.3 Ų43.342%0.42324%0.236SC..THydrogen-bonded Turntrans-70.4-6.8-17600000115G375 K386G375-G377 PolarHBondContact O-N 2.85Å; G377-K386 PolarHBondContact O-NZ 2.62Å
378D91.1Very high93.5Very high132 Ų13242.5 Ų42.571%0.70623%0.234SC*.THydrogen-bonded Turntrans-108.1-0.8179.860.6-20.8000113.4P376P376-D378 WeakPolarHBondContact CB-OD1 3.35Å; P376-D378 PolarHBondContact O-N 2.89Å; P376-D378 VanDerWaalsContact O-N 3.13Å
379D92.9Very high93.6Very high25 Ų2545.7 Ų45.713%0.13425%0.251CS..SBendtrans-73.5164.1177.582.710.7000112.9Y373 P376 A381 A382 M383Y373-D379 VanDerWaalsContact CE1-OD1 3.31Å; Y373-D379 WeakPolarHBondContact CE1-OD1 3.11Å; Y373-D379 WeakPolarHBondContact CE1-OD2 3.44Å; Y373-D379 VanDerWaalsContact CZ-OD2 3.29Å; Y373-D379 PolarHBondContact OH-OD2 3.25Å; P376-D379 HydrophobicContact CB-CB 4.42Å; P376-D379 PolarHBondContact O-N 2.91Å; D379-A381 VanDerWaalsContact C-N 3.26Å; D379-A381 PolarHBondContact O-N 3.46Å; D379-A381 PolarHBondContact OD1-N 3.29Å; D379-A381 VanDerWaalsContact OD1-N 3.17Å; D379-A382 PolarHBondContact O-N 3.47Å; D379-A382 VanDerWaalsContact OD1-CB 3.24Å; D379-A382 WeakPolarHBondContact OD1-CB 3.19Å; D379-A382 PolarHBondContact OD1-N 2.83Å; D379-M383 WeakPolarHBondContact O-CB 3.31Å; D379-M383 WeakPolarHBondContact O-CG 3.34Å; D379-M383 PolarHBondContact O-N 2.89Å
380E94.3Very high93.7Very high114 Ų11447.1 Ų47.153%0.53326%0.26SS..Hα-helixtrans-61.3-34.8-175.7-168.1-177.8173.600112.4G384 P393E380-G384 PolarHBondContact O-N 3.11Å; E380-P393 HydrophobicContact CG-CG 3.87Å; E380-P393 WeakPolarHBondContact OE1-CD 3.39Å; E380-P393 WeakPolarHBondContact OE1-CG 3.49Å
381A94.9Very high94Very high0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-68.9-45.9177.800000111.4Y373 D379 G384 I385 M395 F488Y373-A381 HydrophobicContact CE2-CB 4.27Å; D379-A381 VanDerWaalsContact C-N 3.26Å; D379-A381 PolarHBondContact O-N 3.46Å; D379-A381 PolarHBondContact OD1-N 3.29Å; D379-A381 VanDerWaalsContact OD1-N 3.17Å; A381-G384 PolarHBondContact O-N 3.3Å; A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.33Å; A381-I385 PolarHBondContact O-N 2.82Å; A381-M395 HydrophobicContact CB-CE 4.41Å; A381-M395 HydrophobicContact CB-CG 3.95Å; A381-M395 HydrophobicContact CB-SD 3.89Å; A381-F488 HydrophobicContact CB-CD1 4.14Å
382A95.7Very high94.3Very high0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-62.8-42.6176.400000111.3C369 Y373 P376 D379 I385 K386C369-A382 PolarHBondContact SG-O 3.33Å; C369-A382 VanDerWaalsContact SG-O 3.36Å; Y373-A382 HydrophobicContact CD1-CB 3.78Å; Y373-A382 HydrophobicContact CE1-CB 3.94Å; P376-A382 WeakPolarHBondContact O-CB 3.21Å; D379-A382 PolarHBondContact O-N 3.47Å; D379-A382 VanDerWaalsContact OD1-CB 3.24Å; D379-A382 WeakPolarHBondContact OD1-CB 3.19Å; D379-A382 PolarHBondContact OD1-N 2.83Å; A382-I385 PolarHBondContact O-N 3.03Å; A382-K386 WeakPolarHBondContact O-CB 3.38Å; A382-K386 WeakPolarHBondContact O-CG 3.25Å; A382-K386 PolarHBondContact O-N 2.66Å
383M96.6Very high94.5Very high99 Ų9949.5 Ų49.549%0.48827%0.272SS..Hα-helixtrans-66.3-38.4175.7-68-58.2-67.100112D379 K386 S387D379-M383 WeakPolarHBondContact O-CB 3.31Å; D379-M383 WeakPolarHBondContact O-CG 3.34Å; D379-M383 PolarHBondContact O-N 2.89Å; M383-K386 PolarHBondContact O-N 3.39Å; M383-K386 HydrophobicContact SD-CD 4.13Å; M383-S387 WeakPolarHBondContact O-CB 3.27Å; M383-S387 PolarHBondContact O-N 2.85Å; M383-S387 PolarHBondContact O-OG 3.12Å
384G96.6Very high94.7Very high3 Ų349 Ų493%0.03127%0.271CS..Hα-helixtrans-61.1-43.5171.900000112.9E380 A381 S387 C388 D389 S418E380-G384 PolarHBondContact O-N 3.11Å; A381-G384 PolarHBondContact O-N 3.3Å; G384-S387 PolarHBondContact O-OG 3.01Å; G384-C388 WeakPolarHBondContact O-CA 3.27Å; G384-C388 PolarHBondContact O-N 3.18Å; G384-D389 PolarHBondContact O-N 3.42Å; G384-S418 WeakPolarHBondContact CA-OG 3.49Å
385I96.9Very high95Very high0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-64.4-50.5174.6-65.3166.5000110.4Q365 C369 Y373 A381 A382 S387 C388 M395 F417Q365-I385 HydrophobicContact CB-CG2 4.4Å; Q365-I385 VanDerWaalsContact CB-O 3.23Å; Q365-I385 WeakPolarHBondContact CB-O 3.38Å; Q365-I385 PolarHBondContact OE1-O 2.72Å; C369-I385 HydrophobicContact CB-CG2 3.89Å; Y373-I385 HydrophobicContact CD2-CD1 4.19Å; Y373-I385 HydrophobicContact CG-CD1 4.27Å; A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.33Å; A381-I385 PolarHBondContact O-N 2.82Å; A382-I385 PolarHBondContact O-N 3.03Å; I385-S387 VanDerWaalsContact C-N 3.27Å; I385-S387 PolarHBondContact O-N 3.49Å; I385-C388 PolarHBondContact O-N 2.89Å; I385-C388 VanDerWaalsContact O-N 3.13Å; I385-M395 HydrophobicContact CD1-CB 4.16Å; I385-M395 HydrophobicContact CD1-CE 4.47Å; I385-M395 HydrophobicContact CD1-CG 4.2Å; I385-M395 HydrophobicContact CG1-CB 4.1Å; I385-M395 HydrophobicContact CG1-CG 4.28Å; I385-F417 HydrophobicContact CG1-CB 4.03Å; I385-F417 HydrophobicContact CG2-CB 4.35Å
386K96.3Very high95.4Very high68 Ų6845 Ų4530%0.29625%0.247SC..Hα-helixtrans-57.8-39.2-179.4-76.7172.4179.3173.10112.9K366 C369 G377 A382 M383K366-K386 WeakPolarHBondContact CG-O 3.35Å; C369-K386 HydrophobicContact CB-CD 4.43Å; C369-K386 HydrophobicContact CB-CG 3.46Å; C369-K386 VanDerWaalsContact CB-CG 3.46Å; G377-K386 PolarHBondContact O-NZ 2.62Å; A382-K386 WeakPolarHBondContact O-CB 3.38Å; A382-K386 WeakPolarHBondContact O-CG 3.25Å; A382-K386 PolarHBondContact O-N 2.66Å; M383-K386 PolarHBondContact O-N 3.39Å; M383-K386 HydrophobicContact SD-CD 4.13Å
387S96.1Very high95.6Very high62 Ų6242.2 Ų42.243%0.43423%0.229SC..Hα-helixtrans-85.3-12.8-178.657.60000113.5M383 G384 I385 D389M383-S387 WeakPolarHBondContact O-CB 3.27Å; M383-S387 PolarHBondContact O-N 2.85Å; M383-S387 PolarHBondContact O-OG 3.12Å; G384-S387 PolarHBondContact O-OG 3.01Å; I385-S387 VanDerWaalsContact C-N 3.27Å; I385-S387 PolarHBondContact O-N 3.49Å; S387-D389 VanDerWaalsContact C-N 3.25Å; S387-D389 PolarHBondContact O-N 2.64Å; S387-D389 WeakPolarHBondContact OG-CB 3.26Å
388C96.7Very high95.9Very high8 Ų840.3 Ų40.35%0.05421%0.209CC..THydrogen-bonded Turntrans50.648.6-169.8-158.70000110.8V362 Q365 G384 I385 C466V362-C388 HydrophobicContact CG2-CB 4.19Å; Q365-C388 PolarHBondContact OE1-SG 3.02Å; G384-C388 WeakPolarHBondContact O-CA 3.27Å; G384-C388 PolarHBondContact O-N 3.18Å; I385-C388 PolarHBondContact O-N 2.89Å; I385-C388 VanDerWaalsContact O-N 3.13Å; C388-C466 PolarHBondContact O-SG 3.32Å
389D96.2Very high95.9Very high68 Ų6834 Ų3436%0.36418%0.176SC..  trans-88.7123.5-175.6-175.95.2000111.6G384 S387 K391 A392 G419G384-D389 PolarHBondContact O-N 3.42Å; S387-D389 VanDerWaalsContact C-N 3.25Å; S387-D389 PolarHBondContact O-N 2.64Å; S387-D389 WeakPolarHBondContact OG-CB 3.26Å; D389-K391 PolarHBondContact O-N 2.77Å; D389-K391 PolarHBondContact OD1-N 2.74Å; D389-A392 HydrophobicContact CB-CB 3.88Å; D389-G419 PolarHBondContact O-N 3.05Å
390S95.3Very high95.7Very high31 Ų3133.3 Ų33.322%0.21717%0.171CC..SBendtrans-73.8-14.5178.9-47.40000113.2K16 G419 C466K16-S390 WeakPolarHBondContact CE-OG 3.49Å; K16-S390 PolarHBondContact NZ-OG 3.13Å; S390-G419 CarbonylContact O-C 3.55Å; S390-G419 VanDerWaalsContact O-C 3.31Å; S390-G419 WeakPolarHBondContact O-CA 3.48Å; S390-C466 VanDerWaalsContact CA-SG 3.53Å; S390-C466 PolarHBondContact N-SG 3.09Å; S390-C466 PolarHBondContact OG-SG 3.11Å
391K96.2Very high95.5Very high196 Ų19627.9 Ų27.985%0.85215%0.146SC*.SBendtrans-96.9-16.3178.7-63.3-178.9-179177.50113.7D389D389-K391 PolarHBondContact O-N 2.77Å; D389-K391 PolarHBondContact OD1-N 2.74Å
392A96.1Very high95.1Very high19 Ų1929.2 Ų29.216%0.15715%0.154CC..SBendtrans-67.6170.4174.800000111.1D389 S418 G419D389-A392 HydrophobicContact CB-CB 3.88Å; A392-S418 WeakPolarHBondContact CB-OG 3.35Å; A392-G419 WeakPolarHBondContact O-CA 3.4Å
393P96.9Very high94.4Very high15 Ų1531.8 Ų31.810%0.09717%0.171CC..PPolyproline II helixtrans-57.5146.9178.3-2332.6000112.3E380 M395 S418 F488E380-P393 HydrophobicContact CG-CG 3.87Å; E380-P393 WeakPolarHBondContact OE1-CD 3.39Å; E380-P393 WeakPolarHBondContact OE1-CG 3.49Å; P393-M395 PolarHBondContact O-N 3.1Å; P393-S418 CarbonylContact O-C 3.46Å; P393-S418 VanDerWaalsContact O-CB 3.27Å; P393-S418 WeakPolarHBondContact O-CB 3.49Å; P393-S418 PolarHBondContact O-OG 3.44Å; P393-F488 HydrophobicContact CB-CB 3.75Å; P393-F488 HydrophobicContact CB-CG 4.48Å; P393-F488 HydrophobicContact CG-CB 4.35Å
394L98.1Very high93.6Very high3 Ų328 Ų282%0.01615%0.153CC..PPolyproline II helixtrans-62.512617917763.9000108.7M396 V416 S418 V421 L425 V427 I485 T486 T487L394-M396 HydrophobicContact CD1-CB 4.26Å; L394-V416 HydrophobicContact CD1-CG1 3.82Å; L394-S418 CarbonylContact C-O 3.51Å; L394-S418 WeakPolarHBondContact CA-O 3.43Å; L394-V421 HydrophobicContact CD1-CB 4.1Å; L394-V421 HydrophobicContact CD2-CB 4.41Å; L394-V421 HydrophobicContact CD2-CG2 4.4Å; L394-L425 HydrophobicContact CD2-CD2 4.13Å; L394-V427 HydrophobicContact CD2-CG1 3.71Å; L394-I485 HydrophobicContact CD2-CG2 4.11Å; L394-T486 WeakPolarHBondContact O-CA 3.37Å; L394-T486 VanDerWaalsContact O-CB 3.25Å; L394-T486 WeakPolarHBondContact O-CB 3.23Å; L394-T486 PolarHBondContact O-OG1 2.67Å; L394-T487 HydrophobicContact CB-CG2 3.79Å; L394-T487 WeakPolarHBondContact CB-OG1 3.43Å; L394-T487 HydrophobicContact CD2-CG2 4.2Å; L394-T487 PolarHBondContact N-OG1 3.3Å; L394-T487 PolarHBondContact O-N 3.21Å
395M97.9Very high92.4Very high0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-131.3109.2164.8-65.6-61.5-66.800107.4Y373 A381 I385 P393 F417 S418 T484 T486 A491 M494Y373-M395 HydrophobicContact CD2-CE 3.97Å; Y373-M395 HydrophobicContact CE2-CE 3.64Å; A381-M395 HydrophobicContact CB-CE 4.41Å; A381-M395 HydrophobicContact CB-CG 3.95Å; A381-M395 HydrophobicContact CB-SD 3.89Å; I385-M395 HydrophobicContact CD1-CB 4.16Å; I385-M395 HydrophobicContact CD1-CE 4.47Å; I385-M395 HydrophobicContact CD1-CG 4.2Å; I385-M395 HydrophobicContact CG1-CB 4.1Å; I385-M395 HydrophobicContact CG1-CG 4.28Å; P393-M395 PolarHBondContact O-N 3.1Å; M395-F417 WeakPolarHBondContact O-CA 3.4Å; M395-F417 PolarHBondContact O-N 2.6Å; M395-S418 PolarHBondContact N-O 3.47Å; M395-S418 PolarHBondContact O-N 3.12Å; M395-S418 VanDerWaalsContact O-N 3.13Å; M395-T484 HydrophobicContact CE-CG2 3.79Å; M395-T486 PolarHBondContact SD-OG1 3.34Å; M395-T486 VanDerWaalsContact SD-OG1 3.34Å; M395-A491 HydrophobicContact SD-CB 4.1Å; M395-M494 HydrophobicContact CE-CG 4.15Å
396M97.3Very high91.2Very high0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-125.3136.9177.8173.2178.4-173.500109.7L394 I398 R415 V416 V470 L472 T484 I485L394-M396 HydrophobicContact CD1-CB 4.26Å; M396-I398 HydrophobicContact CE-CD1 3.56Å; M396-I398 HydrophobicContact CG-CD1 4.33Å; M396-I398 HydrophobicContact SD-CD1 4.21Å; M396-R415 VanDerWaalsContact CA-O 3.32Å; M396-R415 WeakPolarHBondContact CA-O 3.31Å; M396-R415 WeakPolarHBondContact CG-O 3.32Å; M396-V416 HydrophobicContact CB-CG2 4.45Å; M396-V416 HydrophobicContact CG-CG2 4.32Å; M396-V416 HydrophobicContact SD-CG2 4.14Å; M396-V470 HydrophobicContact CE-CG1 3.31Å; M396-V470 HydrophobicContact SD-CG1 4.09Å; M396-L472 HydrophobicContact CE-CD1 3.83Å; M396-L472 HydrophobicContact CE-CG 3.92Å; M396-L472 HydrophobicContact SD-CD1 3.53Å; M396-L472 VanDerWaalsContact SD-CD1 3.53Å; M396-L472 HydrophobicContact SD-CG 4.16Å; M396-T484 CarbonylContact O-C 3.52Å; M396-T484 WeakPolarHBondContact O-CA 3.32Å; M396-I485 HydrophobicContact CB-CB 4.2Å; M396-I485 PolarHBondContact N-O 3.18Å; M396-I485 PolarHBondContact O-N 2.99Å; M396-I485 HydrophobicContact SD-CD1 4.48Å
397Y96.6Very high89.9Confident3 Ų342.2 Ų42.21%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-104126.9174.6-174.4-108.8000110.3R120 V121 G414 R415 M494 M497R120-Y397 HydrophobicContact CB-CE1 4.28Å; R120-Y397 HydrophobicContact CG-CD1 3.78Å; R120-Y397 HydrophobicContact CG-CE1 3.43Å; R120-Y397 VanDerWaalsContact CG-CE1 3.43Å; V121-Y397 HydrophobicContact CG1-CD1 4.2Å; Y397-G414 CarbonylContact O-C 3.47Å; Y397-G414 WeakPolarHBondContact O-CA 3.36Å; Y397-R415 PolarHBondContact N-O 3.18Å; Y397-R415 PolarHBondContact O-N 3.42Å; Y397-M494 HydrophobicContact CD2-CB 3.9Å; Y397-M494 HydrophobicContact CD2-SD 4.48Å; Y397-M494 HydrophobicContact CE2-CB 4.48Å; Y397-M497 WeakPolarHBondContact OH-CG 3.39Å
398I95.1Very high88.6Confident0 Ų040.7 Ų40.70%023%0.228CC..EExtended strand (participates in β ladder)trans-89118.7168-55.5-49.5000108.4M396 A412 L472 L479 T482 G483 I485M396-I398 HydrophobicContact CE-CD1 3.56Å; M396-I398 HydrophobicContact CG-CD1 4.33Å; M396-I398 HydrophobicContact SD-CD1 4.21Å; I398-A412 HydrophobicContact CD1-CB 3.96Å; I398-A412 HydrophobicContact CG1-CB 4.26Å; I398-A412 HydrophobicContact CG2-CB 3.89Å; I398-L472 HydrophobicContact CD1-CD1 4.44Å; I398-L479 HydrophobicContact CB-CD2 3.78Å; I398-L479 HydrophobicContact CG1-CD2 3.85Å; I398-L479 HydrophobicContact CG2-CD2 3.99Å; I398-T482 VanDerWaalsContact O-CA 3.31Å; I398-T482 WeakPolarHBondContact O-CA 3.48Å; I398-T482 WeakPolarHBondContact O-CB 3.31Å; I398-G483 PolarHBondContact N-O 2.89Å; I398-G483 PolarHBondContact O-N 2.91Å; I398-I485 HydrophobicContact CD1-CD1 3.67Å; I398-I485 HydrophobicContact CD1-CG1 4.43Å; I398-I485 HydrophobicContact CG1-CD1 3.71Å; I398-I485 HydrophobicContact CG1-CG1 4.1Å
399S90.8Very high87.8Confident1 Ų147.4 Ų47.41%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-91.3-42.2-178168.90000112.3A117 F413 T482 M497A117-S399 WeakPolarHBondContact CA-OG 3.48Å; A117-S399 WeakPolarHBondContact CB-OG 3.39Å; A117-S399 PolarHBondContact O-OG 3.19Å; S399-F413 PolarHBondContact N-O 3.03Å; S399-T482 WeakPolarHBondContact O-CG2 3.42Å; S399-M497 VanDerWaalsContact O-CE 3.28Å; S399-M497 WeakPolarHBondContact O-CE 3.47Å
400K89.2Confident87.5Confident9 Ų944.5 Ų44.54%0.03924%0.236CC..EExtended strand (participates in β ladder)trans-153.5164.9179.164.1177.1-69.1-178.90112.2S72 E114 V402 F413S72-K400 PolarHBondContact O-NZ 3.21Å; E114-K400 WeakPolarHBondContact OE1-CE 3.37Å; E114-K400 IonicContact OE1-NZ 2.69Å; E114-K400 PolarHBondContact OE1-NZ 3.36Å; E114-K400 WeakPolarHBondContact OE2-CE 3.43Å; E114-K400 IonicContact OE2-NZ 3.81Å; E114-K400 PolarHBondContact OE2-NZ 2.95Å; K400-V402 HydrophobicContact CD-CG2 4.28Å; K400-V402 HydrophobicContact CG-CG2 4.22Å; K400-F413 HydrophobicContact CD-CD1 4.37Å; K400-F413 HydrophobicContact CG-CB 4Å; K400-F413 HydrophobicContact CG-CD1 3.85Å; K400-F413 HydrophobicContact CG-CG 4.3Å; K400-F413 PolarHBondContact N-O 2.93Å; K400-F413 WeakPolarHBondContact O-CB 3.32Å; K400-F413 PolarHBondContact O-N 3.39Å
401M89.5Confident87.3Confident1 Ų144.9 Ų44.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-98.3124.5168.4-61.8-59.2-168.500109.5F410 Y411 A412 L479 V480 K529M401-F410 HydrophobicContact CB-CB 4.02Å; M401-F410 HydrophobicContact CB-CD1 4.03Å; M401-F410 HydrophobicContact CB-CG 4.25Å; M401-Y411 CarbonylContact C-O 3.55Å; M401-Y411 WeakPolarHBondContact CA-O 3.09Å; M401-A412 HydrophobicContact CE-CB 4.36Å; M401-A412 HydrophobicContact SD-CB 3.82Å; M401-L479 HydrophobicContact CE-CB 3.77Å; M401-L479 HydrophobicContact CE-CD2 4.22Å; M401-L479 HydrophobicContact CE-CG 4.14Å; M401-L479 WeakPolarHBondContact CE-O 3.47Å; M401-V480 WeakPolarHBondContact CG-O 3.4Å; M401-K529 WeakPolarHBondContact CB-O 3.38Å
402V86.8Confident87.2Confident27 Ų2735.5 Ų35.516%0.16419%0.192CC..EExtended strand (participates in β ladder)trans-100.1123.7179.2-179.80000108.5K400 F410 Y411 F413 M453K400-V402 HydrophobicContact CD-CG2 4.28Å; K400-V402 HydrophobicContact CG-CG2 4.22Å; V402-F410 CarbonylContact O-C 3.58Å; V402-F410 WeakPolarHBondContact O-CA 3.23Å; V402-Y411 PolarHBondContact N-O 3.25Å; V402-Y411 PolarHBondContact O-N 2.89Å; V402-F413 HydrophobicContact CG2-CB 3.68Å; V402-F413 HydrophobicContact CG2-CG 4.29Å; V402-M453 HydrophobicContact CB-CE 4.33Å; V402-M453 HydrophobicContact CG1-CE 3.9Å
403P80.7Confident87.1Confident55 Ų5535 Ų3536%0.35719%0.187SC..EExtended strand (participates in β ladder)trans-64.7140.5178.127.1-33.5000110.5F410P403-F410 HydrophobicContact CB-CD1 4.19Å; P403-F410 HydrophobicContact CB-CE1 3.97Å
404T81Confident87Confident20 Ų2034.3 Ų34.312%0.12318%0.182CC..PPolyproline II helixtrans-93.6163.9176.474.80000111.3D406 R409 Y411T404-D406 PolarHBondContact O-N 3.36Å; T404-D406 PolarHBondContact OG1-N 3.17Å; T404-D406 PolarHBondContact OG1-O 3.29Å; T404-R409 HydrophobicContact CG2-CB 4.44Å; T404-R409 WeakPolarHBondContact CG2-O 3.17Å; T404-R409 PolarHBondContact N-O 3.33Å; T404-R409 PolarHBondContact OG1-O 2.93Å; T404-Y411 HydrophobicContact CG2-CD1 3.53Å; T404-Y411 HydrophobicContact CG2-CD2 3.56Å; T404-Y411 HydrophobicContact CG2-CE1 3.39Å; T404-Y411 HydrophobicContact CG2-CE2 3.4Å; T404-Y411 VanDerWaalsContact CG2-CE2 3.4Å; T404-Y411 HydrophobicContact CG2-CG 3.61Å
405S70.8Confident86.9Confident114 Ų11434.2 Ų34.280%0.79718%0.181SC*.SBendtrans-59.6-28.2168.353.20000112.3K407S405-K407 PolarHBondContact O-N 2.93Å
406D71.6Confident86.9Confident98 Ų9834.2 Ų34.252%0.52418%0.181SC..SBendtrans-77.4110.7174.2-65.4-17.6000109.5T404 G408 R409T404-D406 PolarHBondContact O-N 3.36Å; T404-D406 PolarHBondContact OG1-N 3.17Å; T404-D406 PolarHBondContact OG1-O 3.29Å; D406-G408 PolarHBondContact O-N 3.35Å; D406-G408 VanDerWaalsContact O-N 3.16Å; D406-R409 PolarHBondContact O-N 2.96Å
407K68.3Low86.9Confident156 Ų15634.2 Ų34.268%0.67818%0.181SC*.THydrogen-bonded Turntrans-55.6121.8-176.9-67.8-167.8174.1-161.30111.1S405S405-K407 PolarHBondContact O-N 2.93Å
408G68.7Low87Confident31 Ų3134 Ų3432%0.3218%0.181SC..THydrogen-bonded Turntrans96.43173.400000116D406D406-G408 PolarHBondContact O-N 3.35Å; D406-G408 VanDerWaalsContact O-N 3.16Å
409R81.6Confident87.1Confident148 Ų14834.1 Ų34.156%0.55818%0.181SC*.  trans-113.5152.2169.8-69.4-173.2177.4176.80.9111.4T404 D406T404-R409 HydrophobicContact CG2-CB 4.44Å; T404-R409 WeakPolarHBondContact CG2-O 3.17Å; T404-R409 PolarHBondContact N-O 3.33Å; T404-R409 PolarHBondContact OG1-O 2.93Å; D406-R409 PolarHBondContact O-N 2.96Å
410F89.4Confident87.4Confident8 Ų835.7 Ų35.74%0.03519%0.192CC..EExtended strand (participates in β ladder)trans-127.8145.1177-63.6-95.1000110.8M401 V402 P403 D476 R526 K529M401-F410 HydrophobicContact CB-CB 4.02Å; M401-F410 HydrophobicContact CB-CD1 4.03Å; M401-F410 HydrophobicContact CB-CG 4.25Å; V402-F410 CarbonylContact O-C 3.58Å; V402-F410 WeakPolarHBondContact O-CA 3.23Å; P403-F410 HydrophobicContact CB-CD1 4.19Å; P403-F410 HydrophobicContact CB-CE1 3.97Å; F410-D476 HydrophobicContact CB-CB 3.92Å; F410-D476 PolarHBondContact N-OD2 3Å; F410-R526 HydrophobicContact CE2-CB 4.19Å; F410-R526 HydrophobicContact CE2-CG 4.21Å; F410-R526 HydrophobicContact CZ-CB 4.07Å; F410-R526 WeakPolarHBondContact CZ-O 3.43Å; F410-K529 HydrophobicContact CE2-CB 4.4Å; F410-K529 HydrophobicContact CE2-CD 4.48Å; F410-K529 HydrophobicContact CZ-CB 4.41Å
411Y91.6Very high87.8Confident38 Ų3835.2 Ų35.215%0.14919%0.19CC..EExtended strand (participates in β ladder)trans-89.6130.9165.4-58.9-39.2000109.4M401 V402 T404 F413 I451 M453 V458 V473M401-Y411 CarbonylContact C-O 3.55Å; M401-Y411 WeakPolarHBondContact CA-O 3.09Å; V402-Y411 PolarHBondContact N-O 3.25Å; V402-Y411 PolarHBondContact O-N 2.89Å; T404-Y411 HydrophobicContact CG2-CD1 3.53Å; T404-Y411 HydrophobicContact CG2-CD2 3.56Å; T404-Y411 HydrophobicContact CG2-CE1 3.39Å; T404-Y411 HydrophobicContact CG2-CE2 3.4Å; T404-Y411 VanDerWaalsContact CG2-CE2 3.4Å; T404-Y411 HydrophobicContact CG2-CG 3.61Å; Y411-F413 PolarHBondContact O-N 2.94Å; Y411-I451 HydrophobicContact CD1-CD1 3.68Å; Y411-I451 HydrophobicContact CD2-CD1 3.57Å; Y411-I451 HydrophobicContact CE1-CD1 3.85Å; Y411-I451 HydrophobicContact CE2-CD1 3.76Å; Y411-I451 HydrophobicContact CG-CD1 3.54Å; Y411-M453 HydrophobicContact CD2-CE 4.26Å; Y411-M453 HydrophobicContact CD2-SD 4.21Å; Y411-V458 HydrophobicContact CD2-CG1 4.34Å; Y411-V458 HydrophobicContact CE2-CG1 3.87Å; Y411-V458 HydrophobicContact CE2-CG2 4.32Å; Y411-V473 HydrophobicContact CD1-CG2 3.77Å; Y411-V473 HydrophobicContact CE1-CG2 3.71Å
412A93.6Very high88.1Confident0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-78.5110.6170.500000108.7I398 M401 G471 L472 V475I398-A412 HydrophobicContact CD1-CB 3.96Å; I398-A412 HydrophobicContact CG1-CB 4.26Å; I398-A412 HydrophobicContact CG2-CB 3.89Å; M401-A412 HydrophobicContact CE-CB 4.36Å; M401-A412 HydrophobicContact SD-CB 3.82Å; A412-G471 CarbonylContact O-C 3.57Å; A412-G471 WeakPolarHBondContact O-CA 3.32Å; A412-L472 HydrophobicContact CB-CB 4.35Å; A412-L472 PolarHBondContact N-O 2.97Å; A412-L472 PolarHBondContact O-N 3.1Å; A412-V475 HydrophobicContact CB-CB 3.78Å; A412-V475 HydrophobicContact CB-CG1 3.97Å; A412-V475 HydrophobicContact CB-CG2 4.33Å
413F93.1Very high88.5Confident9 Ų938.9 Ų38.94%0.03921%0.214CC..EExtended strand (participates in β ladder)trans-93.6128.3179.8175.9-96000110.2A74 I103 V121 S399 K400 V402 Y411 M453 I469A74-F413 HydrophobicContact CB-CE2 3.45Å; A74-F413 VanDerWaalsContact CB-CE2 3.45Å; A74-F413 HydrophobicContact CB-CZ 3.65Å; I103-F413 HydrophobicContact CD1-CE1 4.08Å; I103-F413 HydrophobicContact CD1-CZ 3.89Å; I103-F413 HydrophobicContact CG1-CZ 4.12Å; V121-F413 HydrophobicContact CG2-CE1 4.25Å; S399-F413 PolarHBondContact N-O 3.03Å; K400-F413 HydrophobicContact CD-CD1 4.37Å; K400-F413 HydrophobicContact CG-CB 4Å; K400-F413 HydrophobicContact CG-CD1 3.85Å; K400-F413 HydrophobicContact CG-CG 4.3Å; K400-F413 PolarHBondContact N-O 2.93Å; K400-F413 WeakPolarHBondContact O-CB 3.32Å; K400-F413 PolarHBondContact O-N 3.39Å; V402-F413 HydrophobicContact CG2-CB 3.68Å; V402-F413 HydrophobicContact CG2-CG 4.29Å; Y411-F413 PolarHBondContact O-N 2.94Å; F413-M453 HydrophobicContact CD2-CG 4.1Å; F413-M453 HydrophobicContact CE2-CG 4.41Å; F413-I469 HydrophobicContact CD2-CG2 4.22Å; F413-I469 HydrophobicContact CE1-CG2 4.32Å; F413-I469 HydrophobicContact CE2-CG2 3.28Å; F413-I469 HydrophobicContact CZ-CG2 3.35Å
414G94.4Very high89.2Confident0 Ų038.6 Ų38.60%022%0.221CC..EExtended strand (participates in β ladder)trans-165.1-172.9-174.300000114.2Y397 I469 V470Y397-G414 CarbonylContact O-C 3.47Å; Y397-G414 WeakPolarHBondContact O-CA 3.36Å; G414-I469 WeakPolarHBondContact O-CA 3.41Å; G414-V470 PolarHBondContact N-O 3.01Å; G414-V470 PolarHBondContact O-N 3.04Å; G414-V470 VanDerWaalsContact O-O 3.12Å
415R96.8Very high89.9Confident0 Ų040.3 Ų40.30%023%0.229CC..EExtended strand (participates in β ladder)trans-130.9136.8179.2174.8172.6178.6-169.2-1.1111.1N21 V121 D123 P361 M396 Y397 F417 N468 I469N21-R415 PolarHBondContact ND2-NH2 3.25Å; V121-R415 HydrophobicContact CB-CB 4Å; V121-R415 HydrophobicContact CG1-CB 3.88Å; V121-R415 WeakPolarHBondContact O-CD 3.26Å; V121-R415 PolarHBondContact O-NH1 3.13Å; D123-R415 IonicContact OD1-CZ 3.28Å; D123-R415 IonicContact OD1-NH1 3.52Å; D123-R415 PolarHBondContact OD1-NH1 3.35Å; D123-R415 IonicContact OD1-NH2 2.91Å; D123-R415 PolarHBondContact OD1-NH2 2.98Å; D123-R415 VanDerWaalsContact OD1-NH2 3.14Å; D123-R415 IonicContact OD2-CZ 3.71Å; D123-R415 VanDerWaalsContact OD2-CZ 3.29Å; D123-R415 IonicContact OD2-NH1 2.73Å; D123-R415 PolarHBondContact OD2-NH1 3.19Å; D123-R415 VanDerWaalsContact OD2-NH1 3.14Å; D123-R415 IonicContact OD2-NH2 3.77Å; D123-R415 PolarHBondContact OD2-NH2 2.77Å; P361-R415 VanDerWaalsContact CB-NH2 3.33Å; M396-R415 VanDerWaalsContact CA-O 3.32Å; M396-R415 WeakPolarHBondContact CA-O 3.31Å; M396-R415 WeakPolarHBondContact CG-O 3.32Å; Y397-R415 PolarHBondContact N-O 3.18Å; Y397-R415 PolarHBondContact O-N 3.42Å; R415-F417 HydrophobicContact CB-CD2 4.47Å; R415-F417 HydrophobicContact CB-CE2 3.97Å; R415-F417 HydrophobicContact CB-CZ 4.42Å; R415-F417 HydrophobicContact CG-CD2 4.26Å; R415-F417 HydrophobicContact CG-CE2 4.01Å; R415-F417 HydrophobicContact CG-CZ 4.21Å; R415-F417 WeakPolarHBondContact O-CD2 2.95Å; R415-N468 WeakPolarHBondContact CA-O 3.38Å; R415-N468 WeakPolarHBondContact CG-O 3.36Å; R415-I469 HydrophobicContact CB-CG1 4.34Å
416V97.9Very high91.2Very high0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-83.3118.5171-170.50000108.3L394 M396 S418 V421 C466 G467 N468 V470L394-V416 HydrophobicContact CD1-CG1 3.82Å; M396-V416 HydrophobicContact CB-CG2 4.45Å; M396-V416 HydrophobicContact CG-CG2 4.32Å; M396-V416 HydrophobicContact SD-CG2 4.14Å; V416-S418 WeakPolarHBondContact CG1-O 3.4Å; V416-V421 HydrophobicContact CG2-CB 4.39Å; V416-V421 HydrophobicContact CG2-CG1 3.74Å; V416-C466 HydrophobicContact CG1-CB 4.14Å; V416-C466 CarbonylContact O-C 3.54Å; V416-C466 WeakPolarHBondContact O-CA 3.28Å; V416-G467 PolarHBondContact O-N 3.13Å; V416-N468 PolarHBondContact N-O 3.09Å; V416-V470 HydrophobicContact CG2-CG1 3.91Å
417F97.8Very high92.4Very high0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans-95.6-34.5178-74.4-89.1000112.6Q365 L372 I385 M395 R415 M494Q365-F417 HydrophobicContact CG-CD1 4.07Å; Q365-F417 PolarHBondContact OE1-O 3.3Å; L372-F417 HydrophobicContact CD1-CD1 4Å; L372-F417 HydrophobicContact CD1-CE1 3.46Å; L372-F417 VanDerWaalsContact CD1-CE1 3.46Å; L372-F417 HydrophobicContact CD1-CZ 4.07Å; I385-F417 HydrophobicContact CG1-CB 4.03Å; I385-F417 HydrophobicContact CG2-CB 4.35Å; M395-F417 WeakPolarHBondContact O-CA 3.4Å; M395-F417 PolarHBondContact O-N 2.6Å; R415-F417 HydrophobicContact CB-CD2 4.47Å; R415-F417 HydrophobicContact CB-CE2 3.97Å; R415-F417 HydrophobicContact CB-CZ 4.42Å; R415-F417 HydrophobicContact CG-CD2 4.26Å; R415-F417 HydrophobicContact CG-CE2 4.01Å; R415-F417 HydrophobicContact CG-CZ 4.21Å; R415-F417 WeakPolarHBondContact O-CD2 2.95Å; F417-M494 HydrophobicContact CD1-CE 4.31Å; F417-M494 HydrophobicContact CD2-CE 3.56Å; F417-M494 HydrophobicContact CD2-SD 3.87Å; F417-M494 HydrophobicContact CE1-CE 4.46Å; F417-M494 HydrophobicContact CE2-CE 3.73Å; F417-M494 HydrophobicContact CE2-SD 4.33Å; F417-M494 HydrophobicContact CG-CE 3.87Å; F417-M494 HydrophobicContact CG-SD 4.45Å; F417-M494 HydrophobicContact CZ-CE 4.18Å
418S97.9Very high93.7Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-141.7152.5176.7178.10000109.9G384 A392 P393 L394 M395 V416G384-S418 WeakPolarHBondContact CA-OG 3.49Å; A392-S418 WeakPolarHBondContact CB-OG 3.35Å; P393-S418 CarbonylContact O-C 3.46Å; P393-S418 VanDerWaalsContact O-CB 3.27Å; P393-S418 WeakPolarHBondContact O-CB 3.49Å; P393-S418 PolarHBondContact O-OG 3.44Å; L394-S418 CarbonylContact C-O 3.51Å; L394-S418 WeakPolarHBondContact CA-O 3.43Å; M395-S418 PolarHBondContact N-O 3.47Å; M395-S418 PolarHBondContact O-N 3.12Å; M395-S418 VanDerWaalsContact O-N 3.13Å; V416-S418 WeakPolarHBondContact CG1-O 3.4Å
419G97.5Very high95.1Very high1 Ų130.6 Ų30.61%0.0116%0.158CC..SBendtrans72.2-159.8179.400000114.2D389 S390 A392 C466D389-G419 PolarHBondContact O-N 3.05Å; S390-G419 CarbonylContact O-C 3.55Å; S390-G419 VanDerWaalsContact O-C 3.31Å; S390-G419 WeakPolarHBondContact O-CA 3.48Å; A392-G419 WeakPolarHBondContact O-CA 3.4Å; G419-C466 WeakPolarHBondContact O-CB 3.29Å; G419-C466 PolarHBondContact O-N 2.79Å
420C97.3Very high95.7Very high34 Ų3423.5 Ų23.523%0.2313%0.131CC..EExtended strand (participates in β ladder)trans-133.7136.7177.2-171.90000109.6D463 V464C420-D463 PolarHBondContact SG-OD2 3.17Å; C420-V464 PolarHBondContact SG-O 2.89Å
421V96.9Very high95.8Very high0 Ų023.2 Ų23.20%013%0.13CC..EExtended strand (participates in β ladder)trans-99.5135.4172.168.10000109.2L394 V416 I447 T450 D463 V464 V470 L472L394-V421 HydrophobicContact CD1-CB 4.1Å; L394-V421 HydrophobicContact CD2-CB 4.41Å; L394-V421 HydrophobicContact CD2-CG2 4.4Å; V416-V421 HydrophobicContact CG2-CB 4.39Å; V416-V421 HydrophobicContact CG2-CG1 3.74Å; V421-I447 HydrophobicContact CG2-CG1 4.28Å; V421-T450 HydrophobicContact CG1-CG2 4.26Å; V421-D463 CarbonylContact O-C 3.58Å; V421-D463 VanDerWaalsContact O-CA 3.22Å; V421-D463 WeakPolarHBondContact O-CA 3.41Å; V421-V464 HydrophobicContact CG1-CB 4.07Å; V421-V464 PolarHBondContact N-O 3.03Å; V421-V464 PolarHBondContact O-N 3.48Å; V421-V470 HydrophobicContact CG1-CG1 4.26Å; V421-L472 HydrophobicContact CG1-CD2 4.39Å; V421-L472 HydrophobicContact CG2-CD1 4.45Å; V421-L472 HydrophobicContact CG2-CD2 3.99Å
422S96.4Very high95.5Very high39 Ų3923.5 Ų23.527%0.27314%0.137SC..EExtended strand (participates in β ladder)trans-134.2152.9179.9-47.70000111.4G424 L425 E462 D463S422-G424 PolarHBondContact O-N 2.84Å; S422-L425 WeakPolarHBondContact O-CB 3.32Å; S422-L425 PolarHBondContact O-N 3.15Å; S422-L425 VanDerWaalsContact O-N 3.13Å; S422-E462 CarbonylContact C-O 3.39Å; S422-E462 VanDerWaalsContact CA-O 3.28Å; S422-E462 WeakPolarHBondContact CA-O 3.41Å; S422-D463 WeakPolarHBondContact OG-CB 3.5Å
423T96.2Very high95Very high66 Ų6629.9 Ų29.941%0.40517%0.171SC..THydrogen-bonded Turntrans-59.1131.5172.7-66.30000110.1L425 Q448 T450 E462T423-L425 VanDerWaalsContact C-N 3.28Å; T423-L425 PolarHBondContact O-N 3.35Å; T423-Q448 WeakPolarHBondContact CG2-O 3.32Å; T423-T450 PolarHBondContact OG1-N 3.31Å; T423-T450 VanDerWaalsContact OG1-N 3.1Å; T423-E462 PolarHBondContact N-O 3.48Å
424G94.8Very high94.8Very high48 Ų4829.8 Ų29.850%0.49517%0.171SC..THydrogen-bonded Turntrans82.7-7.1-177.400000115.2S422 K426 I447S422-G424 PolarHBondContact O-N 2.84Å; G424-K426 PolarHBondContact O-N 3.45Å; G424-I447 VanDerWaalsContact CA-O 3.32Å; G424-I447 WeakPolarHBondContact CA-O 3.3Å; G424-I447 PolarHBondContact N-O 3.45Å
425L96.2Very high94.4Very high56 Ų5632.7 Ų32.729%0.29319%0.189SC..  trans-64.2127.2178.6-176.564.6000110.5L394 S422 T423 V427 P446 I447 T487L394-L425 HydrophobicContact CD2-CD2 4.13Å; S422-L425 WeakPolarHBondContact O-CB 3.32Å; S422-L425 PolarHBondContact O-N 3.15Å; S422-L425 VanDerWaalsContact O-N 3.13Å; T423-L425 VanDerWaalsContact C-N 3.28Å; T423-L425 PolarHBondContact O-N 3.35Å; L425-V427 HydrophobicContact CB-CG1 4.46Å; L425-V427 HydrophobicContact CD2-CG1 4.01Å; L425-V427 HydrophobicContact CG-CG1 3.97Å; L425-V427 PolarHBondContact O-N 2.88Å; L425-P446 CarbonylContact O-C 3.58Å; L425-P446 VanDerWaalsContact O-CA 3.32Å; L425-P446 WeakPolarHBondContact O-CA 2.97Å; L425-I447 PolarHBondContact O-N 3.46Å; L425-T487 HydrophobicContact CD2-CG2 4.19Å
426K97.3Very high93.9Very high159 Ų15935.3 Ų35.369%0.69121%0.205SC*.EExtended strand (participates in β ladder)trans-73.8120.1171.6-72.8-177.2-178.2175.70109.5G424 P446G424-K426 PolarHBondContact O-N 3.45Å; K426-P446 HydrophobicContact CG-CB 4.35Å
427V96.6Very high93.2Very high1 Ų139.5 Ų39.51%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-125.6159.1-177.8-60.60000111.5L394 L425 I429 I444 K445 I447 I485L394-V427 HydrophobicContact CD2-CG1 3.71Å; L425-V427 HydrophobicContact CB-CG1 4.46Å; L425-V427 HydrophobicContact CD2-CG1 4.01Å; L425-V427 HydrophobicContact CG-CG1 3.97Å; L425-V427 PolarHBondContact O-N 2.88Å; V427-I429 HydrophobicContact CG2-CG1 4.18Å; V427-I444 WeakPolarHBondContact O-CA 3.44Å; V427-K445 WeakPolarHBondContact CG2-O 3.26Å; V427-K445 PolarHBondContact N-O 2.9Å; V427-K445 PolarHBondContact O-N 3.01Å; V427-I447 HydrophobicContact CG1-CG1 4.03Å; V427-I447 HydrophobicContact CG2-CD1 3.47Å; V427-I447 VanDerWaalsContact CG2-CD1 3.47Å; V427-I447 HydrophobicContact CG2-CG1 3.77Å; V427-I485 HydrophobicContact CB-CG2 3.62Å; V427-I485 HydrophobicContact CG1-CG2 4Å; V427-I485 HydrophobicContact CG2-CG2 3.66Å
428R96.4Very high92.7Very high33 Ų3344.9 Ų44.913%0.12527%0.272CS..EExtended strand (participates in β ladder)trans-95.2116.2169.5-59.2171.269.8119.9-7.5107.6L442 Y443 I444 I485 T486 E489R428-L442 HydrophobicContact CB-CD1 4.06Å; R428-Y443 CarbonylContact C-O 3.53Å; R428-I444 HydrophobicContact CG-CG1 4.25Å; R428-I485 WeakPolarHBondContact O-CA 3.42Å; R428-T486 HydrophobicContact CB-CG2 3.94Å; R428-T486 WeakPolarHBondContact CB-O 3.29Å; R428-T486 PolarHBondContact N-O 2.73Å; R428-T486 PolarHBondContact O-N 3.11Å; R428-E489 VanDerWaalsContact NH1-CG 3.32Å; R428-E489 IonicContact NH1-OE1 3.6Å; R428-E489 PolarHBondContact NH1-OE1 3.25Å; R428-E489 VanDerWaalsContact NH1-OE1 3.14Å; R428-E489 PolarHBondContact NH2-O 2.82Å
429I96.6Very high92.2Very high2 Ų254.1 Ų54.11%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-95.1111.7174.5-55169000106.4V427 Y443 K445 V475 F478 L479V427-I429 HydrophobicContact CG2-CG1 4.18Å; I429-Y443 PolarHBondContact N-O 3.05Å; I429-Y443 PolarHBondContact O-N 3.04Å; I429-K445 HydrophobicContact CD1-CB 4.23Å; I429-V475 HydrophobicContact CD1-CG1 4.32Å; I429-V475 HydrophobicContact CG2-CG1 4.32Å; I429-F478 HydrophobicContact CD1-CB 4.1Å; I429-F478 HydrophobicContact CD1-CD2 3.95Å; I429-F478 HydrophobicContact CD1-CG 4.31Å; I429-F478 HydrophobicContact CG2-CB 4.4Å; I429-L479 HydrophobicContact CG2-CB 4.19Å; I429-L479 HydrophobicContact CG2-CD1 4.34Å
430M94.6Very high91.7Very high0 Ų060.3 Ų60.30%034%0.341CS..EExtended strand (participates in β ladder)trans-107.2117.6-179-54.2-176.6-56.100108.2F434 L442 G483 T484 T486 A491 N493M430-F434 HydrophobicContact CB-CB 3.96Å; M430-F434 HydrophobicContact CB-CD1 3.84Å; M430-F434 HydrophobicContact CB-CG 3.93Å; M430-F434 HydrophobicContact CG-CD1 3.82Å; M430-F434 HydrophobicContact CG-CE1 4.1Å; M430-F434 HydrophobicContact CG-CG 4.12Å; M430-F434 HydrophobicContact SD-CD1 3.44Å; M430-F434 WeakPolarHBondContact SD-CD1 3.26Å; M430-F434 HydrophobicContact SD-CE1 3.28Å; M430-F434 WeakPolarHBondContact SD-CE1 3.3Å; M430-F434 HydrophobicContact SD-CG 4.31Å; M430-F434 HydrophobicContact SD-CZ 4.05Å; M430-L442 HydrophobicContact CG-CD1 3.91Å; M430-G483 CarbonylContact O-C 3.52Å; M430-G483 VanDerWaalsContact O-CA 3.32Å; M430-G483 WeakPolarHBondContact O-CA 3.18Å; M430-T484 WeakPolarHBondContact CB-O 3.34Å; M430-T484 HydrophobicContact CE-CG2 3.52Å; M430-T484 PolarHBondContact N-O 2.83Å; M430-T484 PolarHBondContact O-N 2.8Å; M430-T486 HydrophobicContact CE-CG2 3.5Å; M430-T486 HydrophobicContact CG-CG2 4.49Å; M430-T486 HydrophobicContact SD-CG2 3.74Å; M430-A491 HydrophobicContact CE-CB 4.17Å; M430-N493 VanDerWaalsContact CB-OD1 3.23Å; M430-N493 WeakPolarHBondContact CB-OD1 3.4Å
431G91.8Very high91.2Very high1 Ų160.9 Ų60.91%0.0134%0.341CS..  trans-76175.3174.200000112.4N433 F434 D441 N493G431-N433 PolarHBondContact O-N 3.39Å; G431-N433 VanDerWaalsContact O-N 3.11Å; G431-F434 WeakPolarHBondContact O-CB 3.36Å; G431-F434 PolarHBondContact O-N 3.39Å; G431-D441 WeakPolarHBondContact CA-OD2 3.41Å; G431-D441 PolarHBondContact N-O 2.93Å; G431-N493 PolarHBondContact O-ND2 3.08Å
432P86Confident91.1Very high45 Ų4562.5 Ų62.529%0.29235%0.35SS..THydrogen-bonded Turntrans-57-28.8-172.4-25.935.3000114.8D441 T482 N493 V496P432-D441 WeakPolarHBondContact CD-OD2 3.5Å; P432-T482 WeakPolarHBondContact CD-O 3.49Å; P432-T482 WeakPolarHBondContact CG-O 3.42Å; P432-N493 PolarHBondContact O-ND2 3.47Å; P432-V496 HydrophobicContact CB-CG1 4.49Å; P432-V496 HydrophobicContact CB-CG2 3.91Å
433N83.7Confident91Very high133 Ų13365.4 Ų65.471%0.71136%0.356SS*.THydrogen-bonded Turntrans-100.82.7-173.7-63.7-36.8000113.2G431 T435 D441G431-N433 PolarHBondContact O-N 3.39Å; G431-N433 VanDerWaalsContact O-N 3.11Å; N433-T435 PolarHBondContact O-N 2.83Å; N433-D441 PolarHBondContact N-OD2 3.47Å
434F88.8Confident91Very high8 Ų867.1 Ų67.14%0.03536%0.362CS..  trans-58.9137.1177.6172.5-101.2000111.3M430 G431 P436 K438 E440 D441 L442 N493M430-F434 HydrophobicContact CB-CB 3.96Å; M430-F434 HydrophobicContact CB-CD1 3.84Å; M430-F434 HydrophobicContact CB-CG 3.93Å; M430-F434 HydrophobicContact CG-CD1 3.82Å; M430-F434 HydrophobicContact CG-CE1 4.1Å; M430-F434 HydrophobicContact CG-CG 4.12Å; M430-F434 HydrophobicContact SD-CD1 3.44Å; M430-F434 WeakPolarHBondContact SD-CD1 3.26Å; M430-F434 HydrophobicContact SD-CE1 3.28Å; M430-F434 WeakPolarHBondContact SD-CE1 3.3Å; M430-F434 HydrophobicContact SD-CG 4.31Å; M430-F434 HydrophobicContact SD-CZ 4.05Å; G431-F434 WeakPolarHBondContact O-CB 3.36Å; G431-F434 PolarHBondContact O-N 3.39Å; F434-P436 HydrophobicContact CE1-CG 4.31Å; F434-K438 WeakPolarHBondContact CE2-O 3.28Å; F434-E440 WeakPolarHBondContact CD2-O 3.27Å; F434-D441 HydrophobicContact CB-CB 4.31Å; F434-L442 HydrophobicContact CD2-CB 3.82Å; F434-L442 HydrophobicContact CD2-CD1 4.46Å; F434-L442 HydrophobicContact CE2-CB 3.88Å; F434-L442 HydrophobicContact CE2-CD1 4.14Å; F434-L442 HydrophobicContact CE2-CD2 3.97Å; F434-L442 HydrophobicContact CE2-CG 4.21Å; F434-N493 PolarHBondContact O-ND2 2.95Å
435T85.3Confident91Very high61 Ų6169.1 Ų69.137%0.37436%0.357SS..  trans-128.5134.1172.944.40000109.5N433 G437 K438N433-T435 PolarHBondContact O-N 2.83Å; T435-G437 PolarHBondContact O-N 3.37Å; T435-K438 PolarHBondContact O-N 3.28Å; T435-K438 WeakPolarHBondContact OG1-CD 3.49Å; T435-K438 WeakPolarHBondContact OG1-CG 3.49Å
436P85.9Confident91Very high54 Ų5470 Ų7035%0.35137%0.366SS..THydrogen-bonded Turntrans-53.2132.7178-2936.9000112.1F434F434-P436 HydrophobicContact CE1-CG 4.31Å
437G84.2Confident91Very high88 Ų8862.6 Ų62.691%0.90733%0.333SS*.THydrogen-bonded Turntrans92.2-16.9-176.800000115.1T435T435-G437 PolarHBondContact O-N 3.37Å
438K86.6Confident90.9Very high114 Ų11468 Ų6850%0.49636%0.359SS..  trans-95156.7171.5-62.7-163.6-173.2177.80111.6F434 T435F434-K438 WeakPolarHBondContact CE2-O 3.28Å; T435-K438 PolarHBondContact O-N 3.28Å; T435-K438 WeakPolarHBondContact OG1-CD 3.49Å; T435-K438 WeakPolarHBondContact OG1-CG 3.49Å
439K86.4Confident90.8Very high194 Ų19472.8 Ų72.884%0.84338%0.377SS*.  trans-95-7.9172.9-69.1-174178.1179.50113.4
440E86.9Confident90.7Very high130 Ų13072.7 Ų72.761%0.60738%0.376SS*.THydrogen-bonded Turntrans-65135.1178.2-67.4171.9172.100109.8F434 L442F434-E440 WeakPolarHBondContact CD2-O 3.27Å; E440-L442 PolarHBondContact O-N 3.48Å
441D88.6Confident90.6Very high46 Ų4673 Ų7325%0.24638%0.378CS..THydrogen-bonded Turntrans60.528.5176.9-144.914.6000114.8G431 P432 N433 F434G431-D441 WeakPolarHBondContact CA-OD2 3.41Å; G431-D441 PolarHBondContact N-O 2.93Å; P432-D441 WeakPolarHBondContact CD-OD2 3.5Å; N433-D441 PolarHBondContact N-OD2 3.47Å; F434-D441 HydrophobicContact CB-CB 4.31Å
442L93.9Very high90.5Very high35 Ų3573.1 Ų73.118%0.18338%0.378CS..EExtended strand (participates in β ladder)trans-120.9126.8177.9177.866.8000111.7R428 M430 F434 E440R428-L442 HydrophobicContact CB-CD1 4.06Å; M430-L442 HydrophobicContact CG-CD1 3.91Å; F434-L442 HydrophobicContact CD2-CB 3.82Å; F434-L442 HydrophobicContact CD2-CD1 4.46Å; F434-L442 HydrophobicContact CE2-CB 3.88Å; F434-L442 HydrophobicContact CE2-CD1 4.14Å; F434-L442 HydrophobicContact CE2-CD2 3.97Å; F434-L442 HydrophobicContact CE2-CG 4.21Å; E440-L442 PolarHBondContact O-N 3.48Å
443Y94.9Very high90.3Very high99 Ų9972 Ų7239%0.38837%0.369SS..EExtended strand (participates in β ladder)trans-130.7133.6175.9-54.3-88000111.3R428 I429 F478R428-Y443 CarbonylContact C-O 3.53Å; I429-Y443 PolarHBondContact N-O 3.05Å; I429-Y443 PolarHBondContact O-N 3.04Å; Y443-F478 HydrophobicContact CD1-CB 4.46Å; Y443-F478 AromaticContact CD1-CD1 3.7Å; Y443-F478 HydrophobicContact CD1-CD1 3.7Å; Y443-F478 HydrophobicContact CD1-CG 4.45Å; Y443-F478 HydrophobicContact CD2-CB 3.87Å; Y443-F478 HydrophobicContact CE1-CD1 4.29Å; Y443-F478 HydrophobicContact CE2-CB 4.45Å; Y443-F478 WeakPolarHBondContact CE2-O 3.41Å; Y443-F478 HydrophobicContact CG-CB 3.87Å; Y443-F478 AromaticContact CG-CD1 3.87Å; Y443-F478 HydrophobicContact CG-CD1 3.87Å; Y443-F478 HydrophobicContact CG-CG 4.17Å
444I95.1Very high90.1Very high103 Ų10366.9 Ų66.953%0.52834%0.342SS..EExtended strand (participates in β ladder)trans-108.6111.4177.2-55.1-179.3000108.8V427 R428V427-I444 WeakPolarHBondContact O-CA 3.44Å; R428-I444 HydrophobicContact CG-CG1 4.25Å
445K96.1Very high89.6Confident90 Ų9067.2 Ų67.239%0.39135%0.347SS..EExtended strand (participates in β ladder)trans-145148.9-174.1-65.8-68.1175.1179.50111.5V427 I429 F478V427-K445 WeakPolarHBondContact CG2-O 3.26Å; V427-K445 PolarHBondContact N-O 2.9Å; V427-K445 PolarHBondContact O-N 3.01Å; I429-K445 HydrophobicContact CD1-CB 4.23Å; K445-F478 HydrophobicContact CB-CE2 4.29Å; K445-F478 HydrophobicContact CD-CE1 4.32Å; K445-F478 HydrophobicContact CD-CE2 4.09Å; K445-F478 HydrophobicContact CD-CZ 3.78Å; K445-F478 HydrophobicContact CG-CD1 4.5Å; K445-F478 HydrophobicContact CG-CD2 3.98Å; K445-F478 HydrophobicContact CG-CE1 4.17Å; K445-F478 HydrophobicContact CG-CE2 3.61Å; K445-F478 HydrophobicContact CG-CG 4.42Å; K445-F478 HydrophobicContact CG-CZ 3.72Å
446P96.3Very high89Confident74 Ų7470 Ų7048%0.48135%0.35SS..EExtended strand (participates in β ladder)trans-72.6141169.530.9-32.7000110.8L425 K426 Q448L425-P446 CarbonylContact O-C 3.58Å; L425-P446 VanDerWaalsContact O-CA 3.32Å; L425-P446 WeakPolarHBondContact O-CA 2.97Å; K426-P446 HydrophobicContact CG-CB 4.35Å; P446-Q448 PolarHBondContact O-N 3.14Å
447I96.1Very high88.8Confident3 Ų374.8 Ų74.82%0.01536%0.363CS..  trans-68.2125.8168.1-63.7-51.7000109V421 G424 L425 V427 L472 V475V421-I447 HydrophobicContact CG2-CG1 4.28Å; G424-I447 VanDerWaalsContact CA-O 3.32Å; G424-I447 WeakPolarHBondContact CA-O 3.3Å; G424-I447 PolarHBondContact N-O 3.45Å; L425-I447 PolarHBondContact O-N 3.46Å; V427-I447 HydrophobicContact CG1-CG1 4.03Å; V427-I447 HydrophobicContact CG2-CD1 3.47Å; V427-I447 VanDerWaalsContact CG2-CD1 3.47Å; V427-I447 HydrophobicContact CG2-CG1 3.77Å; I447-L472 HydrophobicContact CD1-CD1 3.87Å; I447-L472 HydrophobicContact CG1-CD1 4.49Å; I447-L472 HydrophobicContact CG2-CD2 3.95Å; I447-V475 HydrophobicContact CD1-CG2 3.85Å
448Q94.1Very high88.8Confident116 Ų11673 Ų7354%0.54233%0.334SS..  trans-73.8-42.8-176.9-174.2178.37.500112.1T423 P446 V473T423-Q448 WeakPolarHBondContact CG2-O 3.32Å; P446-Q448 PolarHBondContact O-N 3.14Å; Q448-V473 WeakPolarHBondContact CB-O 3.28Å; Q448-V473 PolarHBondContact N-O 3.4Å
449R94.6Very high88.8Confident133 Ų13371.8 Ų71.850%0.50233%0.33SS..EExtended strand (participates in β ladder)trans-160.4143.5179.3-168.6174.6-68.1170.6-0.9110.4I451 V473R449-I451 HydrophobicContact CG-CG2 4.09Å; R449-V473 HydrophobicContact CB-CB 4.09Å; R449-V473 HydrophobicContact CB-CG2 4.02Å; R449-V473 PolarHBondContact O-N 3.41Å
450T95.2Very high89.1Confident0 Ų066.1 Ų66.10%031%0.313CS..EExtended strand (participates in β ladder)trans-100.9135.2169.9-55.90000109V421 T423 I461 V464 V470 L472V421-T450 HydrophobicContact CG1-CG2 4.26Å; T423-T450 PolarHBondContact OG1-N 3.31Å; T423-T450 VanDerWaalsContact OG1-N 3.1Å; T450-I461 WeakPolarHBondContact CB-O 3.4Å; T450-I461 HydrophobicContact CG2-CG2 3.8Å; T450-I461 PolarHBondContact O-N 3.46Å; T450-V464 HydrophobicContact CG2-CB 4.37Å; T450-V464 HydrophobicContact CG2-CG2 3.72Å; T450-V470 HydrophobicContact CG2-CG2 3.24Å; T450-L472 HydrophobicContact CG2-CD2 4.1Å
451I92.6Very high89.3Confident5 Ų560.6 Ų60.63%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-134.7145.6-175.960.3172000111.6Y411 R449 M453 V458 E459 V470 G471 V473Y411-I451 HydrophobicContact CD1-CD1 3.68Å; Y411-I451 HydrophobicContact CD2-CD1 3.57Å; Y411-I451 HydrophobicContact CE1-CD1 3.85Å; Y411-I451 HydrophobicContact CE2-CD1 3.76Å; Y411-I451 HydrophobicContact CG-CD1 3.54Å; R449-I451 HydrophobicContact CG-CG2 4.09Å; I451-M453 HydrophobicContact CD1-SD 3.83Å; I451-M453 HydrophobicContact CG1-SD 4.29Å; I451-V458 HydrophobicContact CD1-CB 4.14Å; I451-V458 HydrophobicContact CD1-CG1 4.04Å; I451-E459 CarbonylContact C-O 3.59Å; I451-E459 WeakPolarHBondContact CA-O 3.35Å; I451-V470 WeakPolarHBondContact O-CG2 3.32Å; I451-G471 VanDerWaalsContact CG1-O 3.26Å; I451-G471 WeakPolarHBondContact CG1-O 3.14Å; I451-G471 PolarHBondContact N-O 2.89Å; I451-G471 PolarHBondContact O-N 3.16Å; I451-V473 HydrophobicContact CD1-CG2 4.29Å; I451-V473 HydrophobicContact CG2-CG2 4.23Å
452L88.4Confident89.5Confident4 Ų466 Ų662%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-88.8134.2166.4-70.6172.5000110.7I9 M13 V458 E459 I461I9-L452 HydrophobicContact CD1-CD1 4.43Å; I9-L452 HydrophobicContact CG2-CD1 4.24Å; M13-L452 HydrophobicContact CE-CD1 3.56Å; M13-L452 HydrophobicContact CE-CD2 3.22Å; M13-L452 HydrophobicContact CE-CG 3.88Å; M13-L452 HydrophobicContact SD-CD2 4.35Å; L452-V458 VanDerWaalsContact O-CA 3.27Å; L452-V458 WeakPolarHBondContact O-CA 3.34Å; L452-E459 HydrophobicContact CB-CB 4.42Å; L452-E459 PolarHBondContact N-O 3Å; L452-E459 PolarHBondContact O-N 2.67Å; L452-I461 HydrophobicContact CD1-CD1 3.89Å; L452-I461 HydrophobicContact CG-CB 4.44Å; L452-I461 HydrophobicContact CG-CD1 4.2Å; L452-I461 HydrophobicContact CG-CG2 4.2Å
453M82.4Confident89.5Confident21 Ų2166.2 Ų66.210%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-94.3115.1176.7-57.1-64.8-68.900108.9A74 V402 Y411 F413 I451 V458A74-M453 HydrophobicContact CB-CB 4.39Å; V402-M453 HydrophobicContact CB-CE 4.33Å; V402-M453 HydrophobicContact CG1-CE 3.9Å; Y411-M453 HydrophobicContact CD2-CE 4.26Å; Y411-M453 HydrophobicContact CD2-SD 4.21Å; F413-M453 HydrophobicContact CD2-CG 4.1Å; F413-M453 HydrophobicContact CE2-CG 4.41Å; I451-M453 HydrophobicContact CD1-SD 3.83Å; I451-M453 HydrophobicContact CG1-SD 4.29Å; M453-V458 HydrophobicContact CE-CG1 4.19Å; M453-V458 HydrophobicContact SD-CG1 3.65Å
454M79.8Confident89.6Confident27 Ų2761.5 Ų61.513%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-12061.9-179.3-70.3-64.9-70.900109.8F4 I45 R456 Y457F4-M454 HydrophobicContact CE2-CE 3.7Å; F4-M454 HydrophobicContact CZ-CE 3.76Å; I45-M454 HydrophobicContact CD1-CE 4.36Å; M454-R456 PolarHBondContact O-N 2.96Å; M454-R456 VanDerWaalsContact O-N 3.11Å; M454-Y457 CarbonylContact C-O 3.54Å; M454-Y457 PolarHBondContact N-O 2.58Å; M454-Y457 PolarHBondContact O-N 3.03Å
455G77.8Confident89.7Confident14 Ų1456.7 Ų56.714%0.14427%0.27CS..THydrogen-bonded Turntrans65.2-108.3-172.600000111.4A74A74-G455 WeakPolarHBondContact O-CA 3.33Å; A74-G455 PolarHBondContact O-N 2.79Å
456R73.9Confident89.7Confident119 Ų11952.4 Ų52.445%0.44925%0.251SS..THydrogen-bonded Turntrans-83.2-14.6-179.4-59.3-179.8-171.7-156.9-3.7113.6D58 T59 M454D58-R456 PolarHBondContact O-NH2 3.19Å; T59-R456 HydrophobicContact CG2-CG 3.59Å; M454-R456 PolarHBondContact O-N 2.96Å; M454-R456 VanDerWaalsContact O-N 3.11Å
457Y80Confident89.6Confident155 Ų15548.9 Ų48.961%0.60823%0.229SC*.EExtended strand (participates in β ladder)trans-105.6151.6-177.8-54.8-76.5000110.5F56 M454F56-Y457 HydrophobicContact CZ-CE2 4.39Å; M454-Y457 CarbonylContact C-O 3.54Å; M454-Y457 PolarHBondContact N-O 2.58Å; M454-Y457 PolarHBondContact O-N 3.03Å
458V85.3Confident89.6Confident52 Ų5248.9 Ų48.932%0.31523%0.228SC..EExtended strand (participates in β ladder)trans-126.5134.4173.2-62.10000109.5Y411 I451 L452 M453Y411-V458 HydrophobicContact CD2-CG1 4.34Å; Y411-V458 HydrophobicContact CE2-CG1 3.87Å; Y411-V458 HydrophobicContact CE2-CG2 4.32Å; I451-V458 HydrophobicContact CD1-CB 4.14Å; I451-V458 HydrophobicContact CD1-CG1 4.04Å; L452-V458 VanDerWaalsContact O-CA 3.27Å; L452-V458 WeakPolarHBondContact O-CA 3.34Å; M453-V458 HydrophobicContact CE-CG1 4.19Å; M453-V458 HydrophobicContact SD-CG1 3.65Å
459E87Confident89.6Confident87 Ų8744 Ų4441%0.40721%0.206SC..EExtended strand (participates in β ladder)trans-115.8125.8178.6-74.2-64.1167.100109.8V6 I451 L452V6-E459 HydrophobicContact CG2-CB 4.29Å; V6-E459 HydrophobicContact CG2-CG 4.15Å; I451-E459 CarbonylContact C-O 3.59Å; I451-E459 WeakPolarHBondContact CA-O 3.35Å; L452-E459 HydrophobicContact CB-CB 4.42Å; L452-E459 PolarHBondContact N-O 3Å; L452-E459 PolarHBondContact O-N 2.67Å
460P91.3Very high89.6Confident75 Ų7537.7 Ų37.749%0.48718%0.182SC..EExtended strand (participates in β ladder)trans-63.5138.4174.3-15.429.1000110.9
461I92.6Very high89.5Confident15 Ų1537.7 Ų37.78%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-137.4144.4172.6-162.4166.1000109.6R10 M13 T450 L452 V464R10-I461 HydrophobicContact CB-CD1 4.04Å; R10-I461 HydrophobicContact CG-CD1 4.24Å; M13-I461 HydrophobicContact CE-CD1 3.66Å; M13-I461 HydrophobicContact SD-CD1 4.19Å; T450-I461 WeakPolarHBondContact CB-O 3.4Å; T450-I461 HydrophobicContact CG2-CG2 3.8Å; T450-I461 PolarHBondContact O-N 3.46Å; L452-I461 HydrophobicContact CD1-CD1 3.89Å; L452-I461 HydrophobicContact CG-CB 4.44Å; L452-I461 HydrophobicContact CG-CD1 4.2Å; L452-I461 HydrophobicContact CG-CG2 4.2Å; I461-V464 HydrophobicContact CG2-CG2 3.57Å
462E91.6Very high89.6Confident159 Ų15937.5 Ų37.574%0.74318%0.181SC*.SBendtrans-70.6-44.7-174.4-64.8-168.5163.700111.8S422 T423S422-E462 CarbonylContact C-O 3.39Å; S422-E462 VanDerWaalsContact CA-O 3.28Å; S422-E462 WeakPolarHBondContact CA-O 3.41Å; T423-E462 PolarHBondContact N-O 3.48Å
463D94.8Very high89.9Confident40 Ų4038.4 Ų38.421%0.21419%0.187CC..EExtended strand (participates in β ladder)trans-146.8152.8-175.979.1-62.6000112.8R10 C420 V421 S422R10-D463 IonicContact CZ-OD1 3.69Å; R10-D463 IonicContact CZ-OD2 2.66Å; R10-D463 PolarHBondContact NE-O 3.43Å; R10-D463 IonicContact NE-OD1 3.49Å; R10-D463 PolarHBondContact NE-OD1 3.47Å; R10-D463 IonicContact NE-OD2 3.09Å; R10-D463 IonicContact NH2-OD1 3.69Å; R10-D463 PolarHBondContact NH2-OD1 3.17Å; R10-D463 IonicContact NH2-OD2 3.46Å; R10-D463 PolarHBondContact NH2-OD2 2.87Å; C420-D463 PolarHBondContact SG-OD2 3.17Å; V421-D463 CarbonylContact O-C 3.58Å; V421-D463 VanDerWaalsContact O-CA 3.22Å; V421-D463 WeakPolarHBondContact O-CA 3.41Å; S422-D463 WeakPolarHBondContact OG-CB 3.5Å
464V96.1Very high90.2Very high0 Ų038.1 Ų38.10%019%0.189CC..EExtended strand (participates in β ladder)trans-137.4118.1177.7177.50000110.2M13 C420 V421 T450 I461 N468 V470M13-V464 HydrophobicContact SD-CG1 4.21Å; M13-V464 HydrophobicContact SD-CG2 4.28Å; C420-V464 PolarHBondContact SG-O 2.89Å; V421-V464 HydrophobicContact CG1-CB 4.07Å; V421-V464 PolarHBondContact N-O 3.03Å; V421-V464 PolarHBondContact O-N 3.48Å; T450-V464 HydrophobicContact CG2-CB 4.37Å; T450-V464 HydrophobicContact CG2-CG2 3.72Å; I461-V464 HydrophobicContact CG2-CG2 3.57Å; V464-N468 HydrophobicContact CG1-CB 3.45Å; V464-N468 VanDerWaalsContact CG1-CB 3.45Å; V464-V470 HydrophobicContact CB-CB 4.37Å; V464-V470 HydrophobicContact CB-CG2 4.1Å; V464-V470 HydrophobicContact CG1-CB 4.12Å; V464-V470 HydrophobicContact CG1-CG2 4.36Å; V464-V470 HydrophobicContact CG2-CB 4.29Å; V464-V470 HydrophobicContact CG2-CG2 3.65Å
465P96.9Very high90.8Very high2 Ų236.9 Ų36.91%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-78.2163.6179.332-34.4000112.1M13 N468M13-P465 HydrophobicContact CB-CG 4.22Å; P465-N468 WeakPolarHBondContact O-CB 3.4Å; P465-N468 PolarHBondContact O-ND2 2.82Å
466C96.4Very high91.3Very high0 Ų037 Ų370%018%0.18CC..THydrogen-bonded Turntrans-49150.617362.50000113.7K16 C388 S390 V416 G419 N468K16-C466 WeakPolarHBondContact CG-O 3.4Å; C388-C466 PolarHBondContact O-SG 3.32Å; S390-C466 VanDerWaalsContact CA-SG 3.53Å; S390-C466 PolarHBondContact N-SG 3.09Å; S390-C466 PolarHBondContact OG-SG 3.11Å; V416-C466 HydrophobicContact CG1-CB 4.14Å; V416-C466 CarbonylContact O-C 3.54Å; V416-C466 WeakPolarHBondContact O-CA 3.28Å; G419-C466 WeakPolarHBondContact O-CB 3.29Å; G419-C466 PolarHBondContact O-N 2.79Å; C466-N468 VanDerWaalsContact C-N 3.34Å; C466-N468 PolarHBondContact O-ND2 3.19Å
467G94.8Very high91.8Very high0 Ų038 Ų380%019%0.191CC..THydrogen-bonded Turntrans92.1-14.5-175.100000114.3N21 P361 V416N21-G467 PolarHBondContact ND2-O 3.3Å; P361-G467 WeakPolarHBondContact CG-O 3.23Å; V416-G467 PolarHBondContact O-N 3.13Å
468N95.3Very high92.3Very high2 Ų232.8 Ų32.81%0.01117%0.171CC..  trans-102.7152.6-174.2-67.1-81.1000113.7M13 I19 R415 V416 V464 P465 C466M13-N468 VanDerWaalsContact CG-OD1 3.27Å; M13-N468 WeakPolarHBondContact CG-OD1 3.43Å; M13-N468 PolarHBondContact O-ND2 2.94Å; I19-N468 WeakPolarHBondContact CD1-OD1 3.27Å; R415-N468 WeakPolarHBondContact CA-O 3.38Å; R415-N468 WeakPolarHBondContact CG-O 3.36Å; V416-N468 PolarHBondContact N-O 3.09Å; V464-N468 HydrophobicContact CG1-CB 3.45Å; V464-N468 VanDerWaalsContact CG1-CB 3.45Å; P465-N468 WeakPolarHBondContact O-CB 3.4Å; P465-N468 PolarHBondContact O-ND2 2.82Å; C466-N468 VanDerWaalsContact C-N 3.34Å; C466-N468 PolarHBondContact O-ND2 3.19Å
469I94.4Very high92.5Very high14 Ų1430.5 Ų30.57%0.07216%0.157CC..EExtended strand (participates in β ladder)trans-91.1139.8171.8-68168.7000108.9N21 N101 I103 F413 G414 R415N21-I469 HydrophobicContact CB-CD1 4.18Å; N101-I469 HydrophobicContact CB-CD1 3.77Å; I103-I469 HydrophobicContact CD1-CD1 3.71Å; I103-I469 HydrophobicContact CG1-CD1 4.3Å; F413-I469 HydrophobicContact CD2-CG2 4.22Å; F413-I469 HydrophobicContact CE1-CG2 4.32Å; F413-I469 HydrophobicContact CE2-CG2 3.28Å; F413-I469 HydrophobicContact CZ-CG2 3.35Å; G414-I469 WeakPolarHBondContact O-CA 3.41Å; R415-I469 HydrophobicContact CB-CG1 4.34Å
470V94.4Very high92.2Very high1 Ų130.1 Ų30.11%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-153.6150.9-172.967.90000112M396 G414 V416 V421 T450 I451 V464M396-V470 HydrophobicContact CE-CG1 3.31Å; M396-V470 HydrophobicContact SD-CG1 4.09Å; G414-V470 PolarHBondContact N-O 3.01Å; G414-V470 PolarHBondContact O-N 3.04Å; G414-V470 VanDerWaalsContact O-O 3.12Å; V416-V470 HydrophobicContact CG2-CG1 3.91Å; V421-V470 HydrophobicContact CG1-CG1 4.26Å; T450-V470 HydrophobicContact CG2-CG2 3.24Å; I451-V470 WeakPolarHBondContact O-CG2 3.32Å; V464-V470 HydrophobicContact CB-CB 4.37Å; V464-V470 HydrophobicContact CB-CG2 4.1Å; V464-V470 HydrophobicContact CG1-CB 4.12Å; V464-V470 HydrophobicContact CG1-CG2 4.36Å; V464-V470 HydrophobicContact CG2-CB 4.29Å; V464-V470 HydrophobicContact CG2-CG2 3.65Å
471G94.3Very high91.8Very high0 Ų029.1 Ų29.10%015%0.148CC..EExtended strand (participates in β ladder)trans-100.1141.8168.300000111.5A412 I451A412-G471 CarbonylContact O-C 3.57Å; A412-G471 WeakPolarHBondContact O-CA 3.32Å; I451-G471 VanDerWaalsContact CG1-O 3.26Å; I451-G471 WeakPolarHBondContact CG1-O 3.14Å; I451-G471 PolarHBondContact N-O 2.89Å; I451-G471 PolarHBondContact O-N 3.16Å
472L95.2Very high91.6Very high0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-118.9141.5174.2-58.7-178.4000111.5M396 I398 A412 V421 I447 T450 V475 I485M396-L472 HydrophobicContact CE-CD1 3.83Å; M396-L472 HydrophobicContact CE-CG 3.92Å; M396-L472 HydrophobicContact SD-CD1 3.53Å; M396-L472 VanDerWaalsContact SD-CD1 3.53Å; M396-L472 HydrophobicContact SD-CG 4.16Å; I398-L472 HydrophobicContact CD1-CD1 4.44Å; A412-L472 HydrophobicContact CB-CB 4.35Å; A412-L472 PolarHBondContact N-O 2.97Å; A412-L472 PolarHBondContact O-N 3.1Å; V421-L472 HydrophobicContact CG1-CD2 4.39Å; V421-L472 HydrophobicContact CG2-CD1 4.45Å; V421-L472 HydrophobicContact CG2-CD2 3.99Å; I447-L472 HydrophobicContact CD1-CD1 3.87Å; I447-L472 HydrophobicContact CG1-CD1 4.49Å; I447-L472 HydrophobicContact CG2-CD2 3.95Å; T450-L472 HydrophobicContact CG2-CD2 4.1Å; L472-V475 HydrophobicContact CB-CG2 3.96Å; L472-V475 HydrophobicContact CD1-CG2 4.15Å; L472-I485 HydrophobicContact CD1-CD1 3.61Å
473V93.6Very high91.7Very high23 Ų2321.4 Ų21.414%0.13911%0.113CC..EExtended strand (participates in β ladder)trans-102.4136.8174-170.10000109.8Y411 Q448 R449 I451Y411-V473 HydrophobicContact CD1-CG2 3.77Å; Y411-V473 HydrophobicContact CE1-CG2 3.71Å; Q448-V473 WeakPolarHBondContact CB-O 3.28Å; Q448-V473 PolarHBondContact N-O 3.4Å; R449-V473 HydrophobicContact CB-CB 4.09Å; R449-V473 HydrophobicContact CB-CG2 4.02Å; R449-V473 PolarHBondContact O-N 3.41Å; I451-V473 HydrophobicContact CD1-CG2 4.29Å; I451-V473 HydrophobicContact CG2-CG2 4.23Å
474G89.7Confident91.8Very high15 Ų1519.6 Ų19.616%0.15510%0.103CC..SBendtrans95.93.3174.600000115.7
475V92Very high91.8Very high1 Ų119.6 Ų19.61%0.00610%0.103CC..  trans-88-25177.4178.40000112A412 I429 I447 L472 Q477 F478 L479 I485A412-V475 HydrophobicContact CB-CB 3.78Å; A412-V475 HydrophobicContact CB-CG1 3.97Å; A412-V475 HydrophobicContact CB-CG2 4.33Å; I429-V475 HydrophobicContact CD1-CG1 4.32Å; I429-V475 HydrophobicContact CG2-CG1 4.32Å; I447-V475 HydrophobicContact CD1-CG2 3.85Å; L472-V475 HydrophobicContact CB-CG2 3.96Å; L472-V475 HydrophobicContact CD1-CG2 4.15Å; V475-Q477 PolarHBondContact O-N 3.01Å; V475-F478 PolarHBondContact O-N 3.34Å; V475-L479 HydrophobicContact CG1-CB 3.95Å; V475-L479 HydrophobicContact CG1-CD2 4.17Å; V475-L479 PolarHBondContact O-N 3.26Å; V475-L479 VanDerWaalsContact O-N 3.08Å; V475-I485 HydrophobicContact CG1-CD1 4.22Å; V475-I485 HydrophobicContact CG2-CD1 4.11Å
476D87.3Confident91.8Very high16 Ų1619.5 Ų19.59%0.08610%0.103CC..THydrogen-bonded Turntrans-61.6-17.2-173.465.2-42.9000115.3F410 K529F410-D476 HydrophobicContact CB-CB 3.92Å; F410-D476 PolarHBondContact N-OD2 3Å; D476-K529 PolarHBondContact O-NZ 3.07Å
477Q86Confident91.9Very high142 Ų14222.5 Ų22.566%0.66412%0.122SC*.THydrogen-bonded Turntrans-79.4-28.2175.1-63.2-178.812.100113V475V475-Q477 PolarHBondContact O-N 3.01Å
478F90.1Very high91.8Very high45 Ų4524.4 Ų24.420%0.19713%0.13CC..THydrogen-bonded Turntrans-108.4-21.3-171-53.8-69.1000112.6I429 Y443 K445 V475I429-F478 HydrophobicContact CD1-CB 4.1Å; I429-F478 HydrophobicContact CD1-CD2 3.95Å; I429-F478 HydrophobicContact CD1-CG 4.31Å; I429-F478 HydrophobicContact CG2-CB 4.4Å; Y443-F478 HydrophobicContact CD1-CB 4.46Å; Y443-F478 AromaticContact CD1-CD1 3.7Å; Y443-F478 HydrophobicContact CD1-CD1 3.7Å; Y443-F478 HydrophobicContact CD1-CG 4.45Å; Y443-F478 HydrophobicContact CD2-CB 3.87Å; Y443-F478 HydrophobicContact CE1-CD1 4.29Å; Y443-F478 HydrophobicContact CE2-CB 4.45Å; Y443-F478 WeakPolarHBondContact CE2-O 3.41Å; Y443-F478 HydrophobicContact CG-CB 3.87Å; Y443-F478 AromaticContact CG-CD1 3.87Å; Y443-F478 HydrophobicContact CG-CD1 3.87Å; Y443-F478 HydrophobicContact CG-CG 4.17Å; K445-F478 HydrophobicContact CB-CE2 4.29Å; K445-F478 HydrophobicContact CD-CE1 4.32Å; K445-F478 HydrophobicContact CD-CE2 4.09Å; K445-F478 HydrophobicContact CD-CZ 3.78Å; K445-F478 HydrophobicContact CG-CD1 4.5Å; K445-F478 HydrophobicContact CG-CD2 3.98Å; K445-F478 HydrophobicContact CG-CE1 4.17Å; K445-F478 HydrophobicContact CG-CE2 3.61Å; K445-F478 HydrophobicContact CG-CG 4.42Å; K445-F478 HydrophobicContact CG-CZ 3.72Å; V475-F478 PolarHBondContact O-N 3.34Å
479L88.7Confident91.6Very high4 Ų430.8 Ų30.82%0.02116%0.159CC..  trans-122.3137.9179.9-162.266.6000109.6I398 M401 I429 V475 T482I398-L479 HydrophobicContact CB-CD2 3.78Å; I398-L479 HydrophobicContact CG1-CD2 3.85Å; I398-L479 HydrophobicContact CG2-CD2 3.99Å; M401-L479 HydrophobicContact CE-CB 3.77Å; M401-L479 HydrophobicContact CE-CD2 4.22Å; M401-L479 HydrophobicContact CE-CG 4.14Å; M401-L479 WeakPolarHBondContact CE-O 3.47Å; I429-L479 HydrophobicContact CG2-CB 4.19Å; I429-L479 HydrophobicContact CG2-CD1 4.34Å; V475-L479 HydrophobicContact CG1-CB 3.95Å; V475-L479 HydrophobicContact CG1-CD2 4.17Å; V475-L479 PolarHBondContact O-N 3.26Å; V475-L479 VanDerWaalsContact O-N 3.08Å; L479-T482 VanDerWaalsContact CD1-O 3.28Å; L479-T482 WeakPolarHBondContact CD1-O 3.14Å
480V80.6Confident91.5Very high78 Ų7836.6 Ų36.647%0.47319%0.187SC..SBendtrans-94.7-50.3-177.9-174.50000111.5M401 K529M401-V480 WeakPolarHBondContact CG-O 3.4Å; V480-K529 HydrophobicContact CG1-CG 3.73Å
481K82.6Confident91.3Very high55 Ų5536.6 Ų36.624%0.23919%0.186CC..SBendtrans-126.3-73.8-173.2-66.2-173.7170-169.30112.1A528 P532 V534K481-A528 WeakPolarHBondContact CE-O 2.84Å; K481-P532 WeakPolarHBondContact CD-O 3.02Å; K481-P532 WeakPolarHBondContact CE-O 3.48Å; K481-P532 PolarHBondContact NZ-O 2.99Å; K481-V534 PolarHBondContact NZ-O 3.08Å
482T89.9Confident91.3Very high9 Ų939.2 Ų39.26%0.05520%0.198CC..  trans-127.8156.9-175.561.60000109.5I398 S399 P432 L479 M497I398-T482 VanDerWaalsContact O-CA 3.31Å; I398-T482 WeakPolarHBondContact O-CA 3.48Å; I398-T482 WeakPolarHBondContact O-CB 3.31Å; S399-T482 WeakPolarHBondContact O-CG2 3.42Å; P432-T482 WeakPolarHBondContact CD-O 3.49Å; P432-T482 WeakPolarHBondContact CG-O 3.42Å; L479-T482 VanDerWaalsContact CD1-O 3.28Å; L479-T482 WeakPolarHBondContact CD1-O 3.14Å; T482-M497 HydrophobicContact CG2-CE 3.28Å
483G92.7Very high91.1Very high3 Ų339.4 Ų39.43%0.03120%0.2CC..EExtended strand (participates in β ladder)trans177.9173.817900000112.4I398 M430I398-G483 PolarHBondContact N-O 2.89Å; I398-G483 PolarHBondContact O-N 2.91Å; M430-G483 CarbonylContact O-C 3.52Å; M430-G483 VanDerWaalsContact O-CA 3.32Å; M430-G483 WeakPolarHBondContact O-CA 3.18Å
484T96.2Very high91.1Very high1 Ų138.5 Ų38.51%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-110.9131.4-179.6-51.70000109M395 M396 M430 M494M395-T484 HydrophobicContact CE-CG2 3.79Å; M396-T484 CarbonylContact O-C 3.52Å; M396-T484 WeakPolarHBondContact O-CA 3.32Å; M430-T484 WeakPolarHBondContact CB-O 3.34Å; M430-T484 HydrophobicContact CE-CG2 3.52Å; M430-T484 PolarHBondContact N-O 2.83Å; M430-T484 PolarHBondContact O-N 2.8Å; T484-M494 HydrophobicContact CG2-CB 4.44Å; T484-M494 HydrophobicContact CG2-CG 3.9Å; T484-M494 PolarHBondContact OG1-N 3.11Å
485I97.2Very high91Very high0 Ų043.2 Ų43.20%021%0.207CC..EExtended strand (participates in β ladder)trans-109.5129.2173.8-60.3179.3000108.1L394 M396 I398 V427 R428 L472 V475L394-I485 HydrophobicContact CD2-CG2 4.11Å; M396-I485 HydrophobicContact CB-CB 4.2Å; M396-I485 PolarHBondContact N-O 3.18Å; M396-I485 PolarHBondContact O-N 2.99Å; M396-I485 HydrophobicContact SD-CD1 4.48Å; I398-I485 HydrophobicContact CD1-CD1 3.67Å; I398-I485 HydrophobicContact CD1-CG1 4.43Å; I398-I485 HydrophobicContact CG1-CD1 3.71Å; I398-I485 HydrophobicContact CG1-CG1 4.1Å; V427-I485 HydrophobicContact CB-CG2 3.62Å; V427-I485 HydrophobicContact CG1-CG2 4Å; V427-I485 HydrophobicContact CG2-CG2 3.66Å; R428-I485 WeakPolarHBondContact O-CA 3.42Å; L472-I485 HydrophobicContact CD1-CD1 3.61Å; V475-I485 HydrophobicContact CG1-CD1 4.22Å; V475-I485 HydrophobicContact CG2-CD1 4.11Å
486T97.3Very high90.4Very high0 Ų045.5 Ų45.50%022%0.221CC..EExtended strand (participates in β ladder)trans-145.9159.2-176.8-172.40000113.7L394 M395 R428 M430 F488 A491L394-T486 WeakPolarHBondContact O-CA 3.37Å; L394-T486 VanDerWaalsContact O-CB 3.25Å; L394-T486 WeakPolarHBondContact O-CB 3.23Å; L394-T486 PolarHBondContact O-OG1 2.67Å; M395-T486 PolarHBondContact SD-OG1 3.34Å; M395-T486 VanDerWaalsContact SD-OG1 3.34Å; R428-T486 HydrophobicContact CB-CG2 3.94Å; R428-T486 WeakPolarHBondContact CB-O 3.29Å; R428-T486 PolarHBondContact N-O 2.73Å; R428-T486 PolarHBondContact O-N 3.11Å; M430-T486 HydrophobicContact CE-CG2 3.5Å; M430-T486 HydrophobicContact CG-CG2 4.49Å; M430-T486 HydrophobicContact SD-CG2 3.74Å; T486-F488 WeakPolarHBondContact CG2-O 3.28Å; T486-F488 PolarHBondContact OG1-N 3.03Å; T486-A491 HydrophobicContact CG2-CB 3.78Å
487T96.8Very high89.6Confident64 Ų6445.4 Ų45.439%0.39322%0.22SC..SBendtrans-101.6-8.5165.452.90000112.7L394 L425L394-T487 HydrophobicContact CB-CG2 3.79Å; L394-T487 WeakPolarHBondContact CB-OG1 3.43Å; L394-T487 HydrophobicContact CD2-CG2 4.2Å; L394-T487 PolarHBondContact N-OG1 3.3Å; L394-T487 PolarHBondContact O-N 3.21Å; L425-T487 HydrophobicContact CD2-CG2 4.19Å
488F94.4Very high88.6Confident39 Ų3943.7 Ų43.717%0.17121%0.21CC..  trans-90.7133.4-177.7-178-134.5000111.6A381 P393 T486 Q490 A491A381-F488 HydrophobicContact CB-CD1 4.14Å; P393-F488 HydrophobicContact CB-CB 3.75Å; P393-F488 HydrophobicContact CB-CG 4.48Å; P393-F488 HydrophobicContact CG-CB 4.35Å; T486-F488 WeakPolarHBondContact CG2-O 3.28Å; T486-F488 PolarHBondContact OG1-N 3.03Å; F488-Q490 HydrophobicContact CE1-CB 3.78Å; F488-Q490 HydrophobicContact CE2-CB 4.23Å; F488-Q490 HydrophobicContact CZ-CB 3.62Å; F488-Q490 HydrophobicContact CZ-CG 4.27Å; F488-A491 HydrophobicContact CB-CB 4.07Å; F488-A491 HydrophobicContact CD1-CB 3.81Å; F488-A491 VanDerWaalsContact CD1-N 3.27Å; F488-A491 HydrophobicContact CG-CB 4.33Å; F488-A491 WeakPolarHBondContact O-CB 3.49Å
489E91.1Very high87.5Confident136 Ų13644.7 Ų44.764%0.63622%0.215SC*.THydrogen-bonded Turntrans-74.5-37.9-174.7170.6149.8-12500113.6R428 A491R428-E489 VanDerWaalsContact NH1-CG 3.32Å; R428-E489 IonicContact NH1-OE1 3.6Å; R428-E489 PolarHBondContact NH1-OE1 3.25Å; R428-E489 VanDerWaalsContact NH1-OE1 3.14Å; R428-E489 PolarHBondContact NH2-O 2.82Å; E489-A491 VanDerWaalsContact C-N 3.26Å
490Q90.8Very high86Confident137 Ų13746.8 Ų46.864%0.6423%0.23SC*.THydrogen-bonded Turntrans-91.911.6-179.3-52.5179.21.500112.3F488 H492F488-Q490 HydrophobicContact CE1-CB 3.78Å; F488-Q490 HydrophobicContact CE2-CB 4.23Å; F488-Q490 HydrophobicContact CZ-CB 3.62Å; F488-Q490 HydrophobicContact CZ-CG 4.27Å; Q490-H492 PolarHBondContact O-N 3.17Å; Q490-H492 PolarHBondContact O-ND1 3.4Å
491A91.3Very high85.3Confident0 Ų043.8 Ų43.80%021%0.211CC..PPolyproline II helixtrans-60.9138.3177.800000110.9M395 M430 T486 F488 E489M395-A491 HydrophobicContact SD-CB 4.1Å; M430-A491 HydrophobicContact CE-CB 4.17Å; T486-A491 HydrophobicContact CG2-CB 3.78Å; F488-A491 HydrophobicContact CB-CB 4.07Å; F488-A491 HydrophobicContact CD1-CB 3.81Å; F488-A491 VanDerWaalsContact CD1-N 3.27Å; F488-A491 HydrophobicContact CG-CB 4.33Å; F488-A491 WeakPolarHBondContact O-CB 3.49Å; E489-A491 VanDerWaalsContact C-N 3.26Å
492H93.2Very high84.6Confident55 Ų5543.5 Ų43.526%0.25522%0.216SC..PPolyproline II helixtrans-88.7164.7167.6-64.565.8000109.8Y373 Q490Y373-H492 HydrophobicContact CE2-CB 3.88Å; Y373-H492 WeakPolarHBondContact CE2-O 3.4Å; Y373-H492 PolarHBondContact OH-N 3.45Å; Q490-H492 PolarHBondContact O-N 3.17Å; Q490-H492 PolarHBondContact O-ND1 3.4Å
493N92.6Very high84.1Confident5 Ų544 Ų443%0.02722%0.22CC..PPolyproline II helixtrans-66.8147172.1-88.4-15.4000110.9E374 M430 G431 P432 F434E374-N493 VanDerWaalsContact CB-O 3.3Å; E374-N493 WeakPolarHBondContact CB-O 3.49Å; E374-N493 WeakPolarHBondContact CG-O 3.38Å; E374-N493 PolarHBondContact N-O 3.09Å; E374-N493 VanDerWaalsContact N-O 3.11Å; M430-N493 VanDerWaalsContact CB-OD1 3.23Å; M430-N493 WeakPolarHBondContact CB-OD1 3.4Å; G431-N493 PolarHBondContact O-ND2 3.08Å; P432-N493 PolarHBondContact O-ND2 3.47Å; F434-N493 PolarHBondContact O-ND2 2.95Å
494M92.8Very high83.4Confident4 Ų444 Ų442%0.0222%0.22CC..BIsolated β-bridgetrans-71.6145.3158.6-64-171.873.200108.9L372 M395 Y397 F417 T484 V496L372-M494 HydrophobicContact CB-CE 3.79Å; L372-M494 HydrophobicContact CD1-CE 4.47Å; L372-M494 CarbonylContact O-C 3.3Å; L372-M494 WeakPolarHBondContact O-CA 3.41Å; L372-M494 WeakPolarHBondContact O-CB 3.46Å; M395-M494 HydrophobicContact CE-CG 4.15Å; Y397-M494 HydrophobicContact CD2-CB 3.9Å; Y397-M494 HydrophobicContact CD2-SD 4.48Å; Y397-M494 HydrophobicContact CE2-CB 4.48Å; F417-M494 HydrophobicContact CD1-CE 4.31Å; F417-M494 HydrophobicContact CD2-CE 3.56Å; F417-M494 HydrophobicContact CD2-SD 3.87Å; F417-M494 HydrophobicContact CE1-CE 4.46Å; F417-M494 HydrophobicContact CE2-CE 3.73Å; F417-M494 HydrophobicContact CE2-SD 4.33Å; F417-M494 HydrophobicContact CG-CE 3.87Å; F417-M494 HydrophobicContact CG-SD 4.45Å; F417-M494 HydrophobicContact CZ-CE 4.18Å; T484-M494 HydrophobicContact CG2-CB 4.44Å; T484-M494 HydrophobicContact CG2-CG 3.9Å; T484-M494 PolarHBondContact OG1-N 3.11Å; M494-V496 PolarHBondContact O-N 3.23Å
495R86.8Confident82.7Confident114 Ų11444 Ų4443%0.4322%0.22SC..PPolyproline II helixtrans-55.6130.5-174.1-169.7174.4179.9175.5-0.3110.4R120 L371 L372 E374R120-R495 PolarHBondContact NH1-O 3.23Å; L371-R495 WeakPolarHBondContact O-CD 3.29Å; L372-R495 PolarHBondContact O-N 3.28Å; E374-R495 HydrophobicContact CG-CB 4.09Å; E374-R495 WeakPolarHBondContact OE1-CA 3.46Å
496V80.3Confident82.1Confident49 Ų4945.3 Ų45.330%0.29722%0.224SC..PPolyproline II helixtrans-69.3151.5177.5-173.20000109.8P432 M494P432-V496 HydrophobicContact CB-CG1 4.49Å; P432-V496 HydrophobicContact CB-CG2 3.91Å; M494-V496 PolarHBondContact O-N 3.23Å
497M70.8Confident81.7Confident13 Ų1345.6 Ų45.66%0.06423%0.226CC..PPolyproline II helixtrans-67.1141176.4-73.8-176-69.200111.7T116 A117 R120 Y397 S399 T482T116-M497 HydrophobicContact CG2-CB 4.24Å; T116-M497 HydrophobicContact CG2-CG 4.41Å; T116-M497 HydrophobicContact CG2-SD 4.2Å; A117-M497 WeakPolarHBondContact CA-SD 3.4Å; A117-M497 HydrophobicContact CB-CE 4.01Å; A117-M497 HydrophobicContact CB-SD 4.15Å; R120-M497 HydrophobicContact CB-CG 4.19Å; R120-M497 HydrophobicContact CB-SD 3.93Å; R120-M497 HydrophobicContact CG-CG 4.27Å; R120-M497 HydrophobicContact CG-SD 4.48Å; Y397-M497 WeakPolarHBondContact OH-CG 3.39Å; S399-M497 VanDerWaalsContact O-CE 3.28Å; S399-M497 WeakPolarHBondContact O-CE 3.47Å; T482-M497 HydrophobicContact CG2-CE 3.28Å
498K64.8Low81.3Confident106 Ų10643.2 Ų43.246%0.46121%0.213SC..  trans-105.2111170.5-172.5174.1-174.4164.60108E618 K619K498-E618 WeakPolarHBondContact CE-O 3.32Å; K498-E618 PolarHBondContact NZ-O 3.35Å; K498-K619 PolarHBondContact NZ-O 3.42Å
499F67.5Low81.3Confident66 Ų6641.3 Ų41.329%0.28921%0.205SC..  trans-72.9132.5174.1-57.5-68.5000108.8T116 V501 P532T116-F499 HydrophobicContact CG2-CD1 4.36Å; F499-V501 PolarHBondContact O-N 2.95Å; F499-P532 HydrophobicContact CE1-CB 3.85Å; F499-P532 HydrophobicContact CZ-CB 3.73Å
500S57.1Low81.2Confident49 Ų4938.7 Ų38.734%0.34319%0.192SC..SBendtrans-74.2-15.8177.564.70000113.1Q145Q145-S500 PolarHBondContact NE2-OG 3.11Å
501V66.5Low81.4Confident14 Ų1433 Ų339%0.08517%0.169CC..SBendtrans-118.9131.9-175.4-174.80000109S112 F499 M533 A549 F814S112-V501 VanDerWaalsContact OG-CG2 3.26Å; S112-V501 WeakPolarHBondContact OG-CG2 3.48Å; F499-V501 PolarHBondContact O-N 2.95Å; V501-M533 HydrophobicContact CB-CE 4.13Å; V501-M533 HydrophobicContact CG1-CE 4.24Å; V501-A549 HydrophobicContact CG1-CB 4.16Å; V501-F814 HydrophobicContact CG1-CB 4.21Å
502S67.3Low81.5Confident49 Ų4939.6 Ų39.634%0.34320%0.197SC..  trans-87141.2173.4-67.70000110.5V504S502-V504 PolarHBondContact O-N 3.1Å
503P78.4Confident81.5Confident21 Ų2140.9 Ų40.914%0.13621%0.206CC..  trans-74.391.2173.330-32.3000109.9Q535 A547 G548P503-Q535 HydrophobicContact CG-CG 3.94Å; P503-A547 HydrophobicContact CB-CB 4.03Å; P503-G548 CarbonylContact C-O 3.58Å; P503-G548 VanDerWaalsContact C-O 3.3Å; P503-G548 WeakPolarHBondContact CA-O 3.1Å
504V78.1Confident81.4Confident3 Ų345.8 Ų45.82%0.01824%0.238CC..  trans-91.8-24.9-173.3-68.20000113.5S502 G548 V577 S578 P743 Y745 V790 F814 W817S502-V504 PolarHBondContact O-N 3.1Å; V504-G548 PolarHBondContact N-O 3.19Å; V504-V577 WeakPolarHBondContact O-CA 3.44Å; V504-S578 PolarHBondContact O-N 3.06Å; V504-S578 PolarHBondContact O-OG 2.96Å; V504-P743 HydrophobicContact CB-CG 4.43Å; V504-P743 HydrophobicContact CG1-CB 4.19Å; V504-Y745 HydrophobicContact CG2-CE1 4.16Å; V504-Y745 WeakPolarHBondContact CG2-OH 3.48Å; V504-V790 HydrophobicContact CG2-CG1 4.1Å; V504-V790 HydrophobicContact CG2-CG2 4.34Å; V504-F814 HydrophobicContact CG1-CD2 4.05Å; V504-F814 HydrophobicContact CG1-CE2 4.3Å; V504-W817 HydrophobicContact CG1-CH2 4.43Å; V504-W817 HydrophobicContact CG1-CZ2 4.5Å
505V82.4Confident81.4Confident1 Ų149.2 Ų49.21%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-91.4126.1-178.7-173.80000109.7A547 G548 L554 P575 V790 F794V505-A547 CarbonylContact O-C 3.58Å; V505-A547 WeakPolarHBondContact O-CA 3.38Å; V505-G548 PolarHBondContact N-O 3.23Å; V505-G548 PolarHBondContact O-N 3.41Å; V505-L554 HydrophobicContact CG1-CD2 3.87Å; V505-P575 HydrophobicContact CG1-CB 3.94Å; V505-V790 HydrophobicContact CG2-CG1 4.14Å; V505-F794 HydrophobicContact CG1-CE1 3.78Å; V505-F794 HydrophobicContact CG1-CZ 4.18Å; V505-F794 HydrophobicContact CG2-CE1 4.31Å
506R84.8Confident81.8Confident26 Ų2645.2 Ų45.210%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-120.6141.5-177-65.5-177.1-176.2167.819.3110.9I545 I546 A547 P575 V576 S578 E695R506-I545 HydrophobicContact CB-CG2 3.72Å; R506-I545 HydrophobicContact CG-CG2 3.98Å; R506-I546 CarbonylContact C-O 3.53Å; R506-I546 WeakPolarHBondContact CA-O 3.42Å; R506-A547 HydrophobicContact CG-CB 3.86Å; R506-P575 CarbonylContact O-C 3.41Å; R506-P575 WeakPolarHBondContact O-CA 3.19Å; R506-V576 HydrophobicContact CB-CG2 3.95Å; R506-V576 PolarHBondContact N-O 3.28Å; R506-V576 PolarHBondContact O-N 3.35Å; R506-S578 PolarHBondContact NE-OG 3.36Å; R506-S578 VanDerWaalsContact NH2-CB 3.29Å; R506-S578 PolarHBondContact NH2-OG 2.91Å; R506-E695 IonicContact CZ-OE2 2.7Å; R506-E695 IonicContact NH1-OE1 3.34Å; R506-E695 PolarHBondContact NH1-OE1 3.45Å; R506-E695 IonicContact NH1-OE2 2.61Å; R506-E695 IonicContact NH2-OE2 3.03Å; R506-E695 PolarHBondContact NH2-OE2 3Å
507V89.3Confident82.3Confident6 Ų646.8 Ų46.84%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-131135168.9164.70000109V509 I545 I546 L554 L558 K572 P575V507-V509 HydrophobicContact CG1-CG2 4.13Å; V507-I545 WeakPolarHBondContact O-CA 3.4Å; V507-I546 PolarHBondContact N-O 2.77Å; V507-I546 PolarHBondContact O-N 3.34Å; V507-L554 HydrophobicContact CB-CD2 3.77Å; V507-L554 HydrophobicContact CB-CG 4.46Å; V507-L554 HydrophobicContact CG2-CD2 3.31Å; V507-L554 HydrophobicContact CG2-CG 4.24Å; V507-L558 HydrophobicContact CB-CD1 4.49Å; V507-L558 HydrophobicContact CG1-CD1 4.17Å; V507-L558 HydrophobicContact CG1-CD2 4.37Å; V507-K572 HydrophobicContact CG1-CB 4.28Å; V507-P575 HydrophobicContact CG2-CB 3.86Å
508A87.9Confident83.4Confident14 Ų1450.6 Ų50.612%0.11629%0.287CS..EExtended strand (participates in β ladder)trans-80.8137.1169.400000110.2H544 I545 S573A508-H544 CarbonylContact C-O 3.59Å; A508-H544 WeakPolarHBondContact CA-O 3.42Å; A508-I545 HydrophobicContact CB-CD1 3.56Å; A508-S573 WeakPolarHBondContact CB-OG 3.27Å; A508-S573 PolarHBondContact N-OG 2.59Å; A508-S573 PolarHBondContact O-N 3.08Å
509V92.9Very high84.8Confident0 Ų050.9 Ų50.90%029%0.288CS..EExtended strand (participates in β ladder)trans-128.3128.7-175.3-177.50000110.2V507 L520 H544 I546 L558 L561 L570V507-V509 HydrophobicContact CG1-CG2 4.13Å; V509-L520 HydrophobicContact CG1-CD1 4.12Å; V509-H544 PolarHBondContact N-O 3.23Å; V509-H544 WeakPolarHBondContact O-CB 3.44Å; V509-I546 HydrophobicContact CB-CD1 4.44Å; V509-I546 HydrophobicContact CG2-CD1 3.65Å; V509-I546 HydrophobicContact CG2-CG1 3.96Å; V509-L558 HydrophobicContact CG2-CD2 3.45Å; V509-L558 VanDerWaalsContact CG2-CD2 3.45Å; V509-L561 HydrophobicContact CG1-CD2 4.23Å; V509-L570 HydrophobicContact CG1-CB 4.21Å; V509-L570 HydrophobicContact CG1-CD1 3.87Å; V509-L570 HydrophobicContact CG1-CD2 3.97Å; V509-L570 HydrophobicContact CG1-CG 4.24Å
510E90.4Very high86Confident81 Ų8147.8 Ų47.838%0.37927%0.274SS..EExtended strand (participates in β ladder)trans-125.2149.7176-61.9178157.400110.2L570 K571E510-L570 WeakPolarHBondContact O-CA 3.41Å; E510-K571 HydrophobicContact CB-CB 4.3Å; E510-K571 PolarHBondContact N-O 3.38Å; E510-K571 PolarHBondContact O-N 2.92Å; E510-K571 IonicContact OE2-NZ 2.79Å; E510-K571 PolarHBondContact OE2-NZ 3.37Å
511A93.6Very high87.7Confident17 Ų1747.7 Ų47.714%0.1427%0.271CS..EExtended strand (participates in β ladder)trans-74.6130.2168.800000108.9N513 D516 L520 I568A511-N513 WeakPolarHBondContact CB-O 3.13Å; A511-N513 PolarHBondContact O-N 3.48Å; A511-D516 HydrophobicContact CB-CB 4.47Å; A511-L520 HydrophobicContact CB-CB 4.48Å; A511-L520 HydrophobicContact CB-CD2 4.16Å; A511-I568 HydrophobicContact CB-CD1 3.95Å
512K93.6Very high88.8Confident139 Ų13950.8 Ų50.860%0.60429%0.285SS*.SBendtrans-59.2-34.8176.4-72.4-168.4-170.1171.70112.1P569 L570 K571K512-P569 HydrophobicContact CB-CB 4.31Å; K512-P569 HydrophobicContact CD-CB 3.72Å; K512-P569 HydrophobicContact CG-CB 4.14Å; K512-P569 PolarHBondContact N-O 3.23Å; K512-P569 VanDerWaalsContact N-O 3.13Å; K512-L570 WeakPolarHBondContact CE-O 3Å; K512-K571 HydrophobicContact CG-CB 4.28Å
513N93.1Very high90Very high82 Ų8248.5 Ų48.544%0.43927%0.269SS..SBendtrans-106.1118.3173.1-174.9-5.9000109.4A511 A515 D516A511-N513 WeakPolarHBondContact CB-O 3.13Å; A511-N513 PolarHBondContact O-N 3.48Å; N513-A515 PolarHBondContact O-N 3.23Å; N513-A515 VanDerWaalsContact O-N 3.1Å; N513-A515 WeakPolarHBondContact OD1-CB 3.34Å; N513-A515 PolarHBondContact OD1-N 3.2Å; N513-A515 VanDerWaalsContact OD1-N 3.13Å; N513-D516 PolarHBondContact O-N 2.83Å
514P90.4Very high90.7Very high108 Ų10848 Ų4870%0.70127%0.265SS*.G310 helixtrans-56-27.5178-27.735.7000114.4D516 L517P514-D516 PolarHBondContact O-N 2.61Å; P514-L517 VanDerWaalsContact O-CB 3.32Å; P514-L517 WeakPolarHBondContact O-CB 3.33Å; P514-L517 PolarHBondContact O-N 2.75Å
515A94Very high91.3Very high76 Ų7653.6 Ų53.663%0.62829%0.289SS*.G310 helixtrans-65.4-22177.300000113.4N513 L517 P518N513-A515 PolarHBondContact O-N 3.23Å; N513-A515 VanDerWaalsContact O-N 3.1Å; N513-A515 WeakPolarHBondContact OD1-CB 3.34Å; N513-A515 PolarHBondContact OD1-N 3.2Å; N513-A515 VanDerWaalsContact OD1-N 3.13Å; A515-L517 VanDerWaalsContact C-N 3.35Å; A515-P518 WeakPolarHBondContact O-CD 3.49Å
516D94.1Very high91.6Very high30 Ų3056.5 Ų56.516%0.1630%0.3CS..G310 helixtrans-89.72.3179.9-73.7-51.2000113.2A511 N513 P514 P518 K519 L520 I568A511-D516 HydrophobicContact CB-CB 4.47Å; N513-D516 PolarHBondContact O-N 2.83Å; P514-D516 PolarHBondContact O-N 2.61Å; D516-P518 VanDerWaalsContact C-CD 3.41Å; D516-P518 VanDerWaalsContact C-N 3.31Å; D516-K519 WeakPolarHBondContact O-CA 3.2Å; D516-K519 WeakPolarHBondContact O-CB 3.24Å; D516-K519 PolarHBondContact O-N 2.81Å; D516-K519 WeakPolarHBondContact OD1-CE 2.92Å; D516-K519 IonicContact OD1-NZ 2.79Å; D516-K519 PolarHBondContact OD1-NZ 3.21Å; D516-L520 PolarHBondContact O-N 2.88Å; D516-I568 HydrophobicContact CB-CB 4.43Å; D516-I568 HydrophobicContact CB-CD1 3.94Å; D516-I568 HydrophobicContact CB-CG2 3.95Å
517L91.9Very high91.9Very high81 Ų8155.3 Ų55.342%0.42430%0.296SS..Hα-helixtrans-50.6-41.5178-176.366.1000113.7P514 A515 K519 L520 V521 H544P514-L517 VanDerWaalsContact O-CB 3.32Å; P514-L517 WeakPolarHBondContact O-CB 3.33Å; P514-L517 PolarHBondContact O-N 2.75Å; A515-L517 VanDerWaalsContact C-N 3.35Å; L517-K519 VanDerWaalsContact C-N 3.27Å; L517-K519 PolarHBondContact O-N 3.49Å; L517-L520 HydrophobicContact CD1-CD2 4.35Å; L517-L520 WeakPolarHBondContact O-CB 3.21Å; L517-L520 PolarHBondContact O-N 3.26Å; L517-L520 VanDerWaalsContact O-N 3.14Å; L517-V521 HydrophobicContact CD1-CG2 4.46Å; L517-V521 WeakPolarHBondContact O-CG2 3.35Å; L517-V521 PolarHBondContact O-N 3.39Å; L517-H544 WeakPolarHBondContact CD1-NE2 3.39Å
518P94Very high91.9Very high94 Ų9455.9 Ų55.961%0.6130%0.301SS*.Hα-helixtrans-60.9-34.7175.8-24.435.9000113.4A515 D516 E522A515-P518 WeakPolarHBondContact O-CD 3.49Å; D516-P518 VanDerWaalsContact C-CD 3.41Å; D516-P518 VanDerWaalsContact C-N 3.31Å; P518-E522 WeakPolarHBondContact O-CB 3.27Å; P518-E522 PolarHBondContact O-N 3.43Å; P518-E522 VanDerWaalsContact O-N 3.11Å
519K93.3Very high91.9Very high112 Ų11257.6 Ų57.649%0.48731%0.306SS..Hα-helixtrans-71.5-37.4175.8-63.1177.7-173.2156.20111.3D516 L517 E522 G523 I568D516-K519 WeakPolarHBondContact O-CA 3.2Å; D516-K519 WeakPolarHBondContact O-CB 3.24Å; D516-K519 PolarHBondContact O-N 2.81Å; D516-K519 WeakPolarHBondContact OD1-CE 2.92Å; D516-K519 IonicContact OD1-NZ 2.79Å; D516-K519 PolarHBondContact OD1-NZ 3.21Å; L517-K519 VanDerWaalsContact C-N 3.27Å; L517-K519 PolarHBondContact O-N 3.49Å; K519-E522 PolarHBondContact O-N 2.74Å; K519-G523 PolarHBondContact O-N 3.05Å; K519-I568 HydrophobicContact CB-CG2 4.23Å; K519-I568 HydrophobicContact CD-CG2 3.75Å
520L93.6Very high91.5Very high0 Ų057.7 Ų57.70%031%0.307CS..Hα-helixtrans-60.1-50.4173.8-179.857.2000110.9V509 A511 D516 L517 E522 G523 L524 L561 I568 L570V509-L520 HydrophobicContact CG1-CD1 4.12Å; A511-L520 HydrophobicContact CB-CB 4.48Å; A511-L520 HydrophobicContact CB-CD2 4.16Å; D516-L520 PolarHBondContact O-N 2.88Å; L517-L520 HydrophobicContact CD1-CD2 4.35Å; L517-L520 WeakPolarHBondContact O-CB 3.21Å; L517-L520 PolarHBondContact O-N 3.26Å; L517-L520 VanDerWaalsContact O-N 3.14Å; L520-E522 VanDerWaalsContact C-N 3.32Å; L520-E522 PolarHBondContact O-N 3.33Å; L520-G523 CarbonylContact O-C 3.55Å; L520-G523 PolarHBondContact O-N 2.75Å; L520-G523 VanDerWaalsContact O-N 3.15Å; L520-L524 HydrophobicContact CD1-CD1 4.22Å; L520-L524 HydrophobicContact CD1-CG 4.14Å; L520-L524 HydrophobicContact CG-CD1 4.02Å; L520-L524 HydrophobicContact CG-CG 4.4Å; L520-L524 WeakPolarHBondContact O-CG 3.44Å; L520-L524 PolarHBondContact O-N 3.09Å; L520-L561 HydrophobicContact CD1-CD2 4.03Å; L520-I568 HydrophobicContact CB-CD1 3.87Å; L520-L570 HydrophobicContact CD1-CD2 3.73Å
521V91.8Very high91.3Very high47 Ų4754.2 Ų54.229%0.28529%0.291SS..Hα-helixtrans-60.6-42.6-179.4173.80000111.3L517 K525L517-V521 HydrophobicContact CD1-CG2 4.46Å; L517-V521 WeakPolarHBondContact O-CG2 3.35Å; L517-V521 PolarHBondContact O-N 3.39Å; V521-K525 WeakPolarHBondContact O-CG 3.3Å; V521-K525 PolarHBondContact O-N 3.11Å; V521-K525 VanDerWaalsContact O-N 3.16Å
522E90.8Very high90.6Very high79 Ų7953.7 Ų53.737%0.36929%0.286SS..Hα-helixtrans-67.7-39.4175.5-179.555.6-157.100112.2P518 K519 L520 K525 R526P518-E522 WeakPolarHBondContact O-CB 3.27Å; P518-E522 PolarHBondContact O-N 3.43Å; P518-E522 VanDerWaalsContact O-N 3.11Å; K519-E522 PolarHBondContact O-N 2.74Å; L520-E522 VanDerWaalsContact C-N 3.32Å; L520-E522 PolarHBondContact O-N 3.33Å; E522-K525 PolarHBondContact O-N 3.33Å; E522-R526 WeakPolarHBondContact O-CG 3.4Å; E522-R526 PolarHBondContact O-N 3.49Å; E522-R526 VanDerWaalsContact O-N 3.08Å; E522-R526 IonicContact OE1-CZ 3.94Å; E522-R526 IonicContact OE1-NE 3.71Å; E522-R526 PolarHBondContact OE1-NE 2.93Å; E522-R526 IonicContact OE1-NH2 3.29Å; E522-R526 PolarHBondContact OE1-NH2 3.4Å
523G92Very high90.1Very high1 Ų147.4 Ų47.41%0.0126%0.259CS..Hα-helixtrans-62.1-42.2174.400000112.9K519 L520 K525 R526 L527K519-G523 PolarHBondContact O-N 3.05Å; L520-G523 CarbonylContact O-C 3.55Å; L520-G523 PolarHBondContact O-N 2.75Å; L520-G523 VanDerWaalsContact O-N 3.15Å; G523-K525 PolarHBondContact O-N 2.99Å; G523-R526 WeakPolarHBondContact O-CB 3.37Å; G523-R526 PolarHBondContact O-N 3.05Å; G523-R526 VanDerWaalsContact O-N 3.15Å; G523-L527 WeakPolarHBondContact O-CB 3.23Å; G523-L527 PolarHBondContact O-N 2.67Å
524L92.6Very high89.8Confident11 Ų1143.5 Ų43.56%0.05824%0.238CC..Hα-helixtrans-62.5-41.3175.7-73.3168.9000111.5L520 R526 L527 A528 C536 H544 I546 L561L520-L524 HydrophobicContact CD1-CD1 4.22Å; L520-L524 HydrophobicContact CD1-CG 4.14Å; L520-L524 HydrophobicContact CG-CD1 4.02Å; L520-L524 HydrophobicContact CG-CG 4.4Å; L520-L524 WeakPolarHBondContact O-CG 3.44Å; L520-L524 PolarHBondContact O-N 3.09Å; L524-R526 VanDerWaalsContact C-N 3.29Å; L524-R526 PolarHBondContact O-N 3.15Å; L524-L527 PolarHBondContact O-N 2.79Å; L524-A528 WeakPolarHBondContact O-CB 3.21Å; L524-A528 PolarHBondContact O-N 2.71Å; L524-C536 HydrophobicContact CB-CB 4.31Å; L524-C536 HydrophobicContact CD2-CB 4.27Å; L524-H544 HydrophobicContact CD1-CB 3.73Å; L524-I546 HydrophobicContact CD2-CD1 3.68Å; L524-I546 HydrophobicContact CD2-CG1 3.76Å; L524-L561 HydrophobicContact CD2-CD1 4.4Å; L524-L561 HydrophobicContact CD2-CD2 3.69Å; L524-L561 HydrophobicContact CG-CD1 4.47Å; L524-L561 HydrophobicContact CG-CD2 4.35Å
525K90.1Very high89.6Confident120 Ų12042.9 Ų42.952%0.52223%0.225SC..Hα-helixtrans-61.3-38.8173.8-72.2175-176.8176.30112V521 E522 G523 K529V521-K525 WeakPolarHBondContact O-CG 3.3Å; V521-K525 PolarHBondContact O-N 3.11Å; V521-K525 VanDerWaalsContact O-N 3.16Å; E522-K525 PolarHBondContact O-N 3.33Å; G523-K525 PolarHBondContact O-N 2.99Å; K525-K529 WeakPolarHBondContact O-CG 3.45Å; K525-K529 PolarHBondContact O-N 3.29Å
526R89.4Confident89.3Confident63 Ų6341 Ų4124%0.23821%0.208CC..Hα-helixtrans-70.3-41.4177.2-68.2169.3-174.5-169.5-2.2111.9F410 E522 G523 L524 K529 S530 H565F410-R526 HydrophobicContact CE2-CB 4.19Å; F410-R526 HydrophobicContact CE2-CG 4.21Å; F410-R526 HydrophobicContact CZ-CB 4.07Å; F410-R526 WeakPolarHBondContact CZ-O 3.43Å; E522-R526 WeakPolarHBondContact O-CG 3.4Å; E522-R526 PolarHBondContact O-N 3.49Å; E522-R526 VanDerWaalsContact O-N 3.08Å; E522-R526 IonicContact OE1-CZ 3.94Å; E522-R526 IonicContact OE1-NE 3.71Å; E522-R526 PolarHBondContact OE1-NE 2.93Å; E522-R526 IonicContact OE1-NH2 3.29Å; E522-R526 PolarHBondContact OE1-NH2 3.4Å; G523-R526 WeakPolarHBondContact O-CB 3.37Å; G523-R526 PolarHBondContact O-N 3.05Å; G523-R526 VanDerWaalsContact O-N 3.15Å; L524-R526 VanDerWaalsContact C-N 3.29Å; L524-R526 PolarHBondContact O-N 3.15Å; R526-K529 WeakPolarHBondContact O-CB 3.33Å; R526-K529 PolarHBondContact O-N 3.08Å; R526-S530 PolarHBondContact O-N 3.24Å; R526-H565 HydrophobicContact CB-CB 4.19Å; R526-H565 PolarHBondContact NH1-O 3.48Å
527L90.6Very high88.9Confident1 Ų142.8 Ų42.81%0.00522%0.216CC..Hα-helixtrans-60.1-48.3175.5-178.267.6000110.7G523 L524 K529 S530 D531 V534 I546 C557 D560 L561G523-L527 WeakPolarHBondContact O-CB 3.23Å; G523-L527 PolarHBondContact O-N 2.67Å; L524-L527 PolarHBondContact O-N 2.79Å; L527-K529 PolarHBondContact O-N 2.86Å; L527-S530 PolarHBondContact O-N 2.83Å; L527-S530 VanDerWaalsContact O-N 3.07Å; L527-D531 PolarHBondContact O-N 3.48Å; L527-D531 VanDerWaalsContact O-N 3.08Å; L527-V534 HydrophobicContact CG-CG1 4.15Å; L527-I546 HydrophobicContact CD2-CD1 3.86Å; L527-I546 HydrophobicContact CD2-CG2 4.19Å; L527-C557 HydrophobicContact CD1-CB 4.08Å; L527-C557 HydrophobicContact CD2-CB 4.24Å; L527-D560 HydrophobicContact CD1-CB 4.35Å; L527-L561 HydrophobicContact CB-CD1 4.48Å; L527-L561 HydrophobicContact CD2-CB 4.32Å; L527-L561 HydrophobicContact CD2-CD2 4.45Å
528A89.3Confident88.5Confident18 Ų1844.3 Ų44.315%0.14922%0.224CC..Hα-helixtrans-62.1-23.3176.800000114.1K481 L524 C536K481-A528 WeakPolarHBondContact CE-O 2.84Å; L524-A528 WeakPolarHBondContact O-CB 3.21Å; L524-A528 PolarHBondContact O-N 2.71Å; A528-C536 HydrophobicContact CB-CB 4.33Å
529K87.6Confident87.5Confident49 Ų4941 Ų4121%0.21320%0.2CC..Hα-helixtrans-81.1-41.6171.3-73.3178.2-177.1-167.10112M401 F410 D476 V480 K525 R526 L527M401-K529 WeakPolarHBondContact CB-O 3.38Å; F410-K529 HydrophobicContact CE2-CB 4.4Å; F410-K529 HydrophobicContact CE2-CD 4.48Å; F410-K529 HydrophobicContact CZ-CB 4.41Å; D476-K529 PolarHBondContact O-NZ 3.07Å; V480-K529 HydrophobicContact CG1-CG 3.73Å; K525-K529 WeakPolarHBondContact O-CG 3.45Å; K525-K529 PolarHBondContact O-N 3.29Å; R526-K529 WeakPolarHBondContact O-CB 3.33Å; R526-K529 PolarHBondContact O-N 3.08Å; L527-K529 PolarHBondContact O-N 2.86Å
530S85.2Confident85.9Confident3 Ų344 Ų442%0.02122%0.216CC..Hα-helixtrans-70.3-36.8-173.7103.90000112.8K71 R526 L527K71-S530 PolarHBondContact NZ-OG 3.38Å; R526-S530 PolarHBondContact O-N 3.24Å; L527-S530 PolarHBondContact O-N 2.83Å; L527-S530 VanDerWaalsContact O-N 3.07Å
531D85.9Confident84.5Confident7 Ų746.5 Ų46.54%0.03723%0.234CC..  trans-105.3124.1-177-169.1-73.6000111.4L527 M533 V534 H553L527-D531 PolarHBondContact O-N 3.48Å; L527-D531 VanDerWaalsContact O-N 3.08Å; D531-M533 VanDerWaalsContact C-N 3.34Å; D531-M533 PolarHBondContact O-N 3.17Å; D531-M533 WeakPolarHBondContact OD1-CG 2.99Å; D531-M533 PolarHBondContact OD1-N 3.36Å; D531-V534 HydrophobicContact CB-CB 3.84Å; D531-V534 HydrophobicContact CB-CG1 3.88Å; D531-V534 PolarHBondContact OD1-N 3.32Å; D531-H553 IonicContact OD1-CE1 2.67Å; D531-H553 IonicContact OD1-NE2 3.42Å; D531-H553 IonicContact OD2-CD2 3.96Å; D531-H553 IonicContact OD2-CE1 3.41Å; D531-H553 IonicContact OD2-NE2 2.79Å; D531-H553 PolarHBondContact OD2-NE2 3.24Å; D531-H553 VanDerWaalsContact OD2-NE2 3.09Å
532P79.6Confident83.6Confident6 Ų646.5 Ų46.54%0.03924%0.243CC..SBendtrans-61.8-33.8-178.1-23.533.4000114.6A117 K481 F499A117-P532 HydrophobicContact CB-CG 4.49Å; K481-P532 WeakPolarHBondContact CD-O 3.02Å; K481-P532 WeakPolarHBondContact CE-O 3.48Å; K481-P532 PolarHBondContact NZ-O 2.99Å; F499-P532 HydrophobicContact CE1-CB 3.85Å; F499-P532 HydrophobicContact CZ-CB 3.73Å
533M82.6Confident83.1Confident7 Ų745.3 Ų45.33%0.03424%0.237CC..SBendtrans-105.5-20.6-173.473-170.3-4900114.7S113 V501 D531 Q535 A549 H553S113-M533 VanDerWaalsContact CB-CB 3.44Å; S113-M533 WeakPolarHBondContact CB-SD 3.46Å; S113-M533 WeakPolarHBondContact OG-CG 3.35Å; S113-M533 PolarHBondContact OG-SD 3.45Å; V501-M533 HydrophobicContact CB-CE 4.13Å; V501-M533 HydrophobicContact CG1-CE 4.24Å; D531-M533 VanDerWaalsContact C-N 3.34Å; D531-M533 PolarHBondContact O-N 3.17Å; D531-M533 WeakPolarHBondContact OD1-CG 2.99Å; D531-M533 PolarHBondContact OD1-N 3.36Å; M533-Q535 PolarHBondContact O-N 3.1Å; M533-A549 HydrophobicContact CE-CB 3.4Å; M533-A549 VanDerWaalsContact CE-CB 3.4Å; M533-A549 HydrophobicContact SD-CB 3.71Å; M533-H553 WeakPolarHBondContact CG-CE1 3.47Å; M533-H553 VanDerWaalsContact SD-CE1 3.57Å
534V87.7Confident82.9Confident0 Ų046.2 Ų46.20%024%0.241CC..  trans-59138.2-179.699.40000109.9K481 L527 D531 I546 A547 C557K481-V534 PolarHBondContact NZ-O 3.08Å; L527-V534 HydrophobicContact CG-CG1 4.15Å; D531-V534 HydrophobicContact CB-CB 3.84Å; D531-V534 HydrophobicContact CB-CG1 3.88Å; D531-V534 PolarHBondContact OD1-N 3.32Å; V534-I546 HydrophobicContact CG2-CG2 3.7Å; V534-A547 WeakPolarHBondContact CA-O 3.35Å; V534-A547 VanDerWaalsContact CG2-O 3.29Å; V534-A547 WeakPolarHBondContact CG2-O 3.37Å; V534-C557 HydrophobicContact CG2-CB 4.41Å
535Q85.1Confident82.7Confident95 Ų9546 Ų4644%0.44424%0.24SC..EExtended strand (participates in β ladder)trans-117.2119.2175.4-62.6-179.6-8.900108.4P503 M533 I546 A547P503-Q535 HydrophobicContact CG-CG 3.94Å; M533-Q535 PolarHBondContact O-N 3.1Å; Q535-I546 WeakPolarHBondContact O-CA 3.46Å; Q535-A547 HydrophobicContact CB-CB 4.19Å; Q535-A547 PolarHBondContact N-O 3.33Å; Q535-A547 PolarHBondContact O-N 2.86Å
536C89Confident82.8Confident38 Ų3840.3 Ų40.326%0.25722%0.215SC..EExtended strand (participates in β ladder)trans-104.4109.6171.7-590000107.5L524 A528 I545L524-C536 HydrophobicContact CB-CB 4.31Å; L524-C536 HydrophobicContact CD2-CB 4.27Å; A528-C536 HydrophobicContact CB-CB 4.33Å; C536-I545 WeakPolarHBondContact CA-O 3.36Å
537I85.6Confident82.6Confident67 Ų6737.3 Ų37.334%0.34420%0.204SC..EExtended strand (participates in β ladder)trans-119.1151-178.959.1-177.8000109.7I545I537-I545 HydrophobicContact CD1-CB 4.32Å; I537-I545 HydrophobicContact CD1-CG2 4.46Å; I537-I545 HydrophobicContact CG1-CB 3.72Å; I537-I545 HydrophobicContact CG1-CG1 4.43Å; I537-I545 HydrophobicContact CG1-CG2 4.28Å; I537-I545 PolarHBondContact N-O 2.81Å; I537-I545 PolarHBondContact O-N 3.45Å
538I82.6Confident82.4Confident112 Ų11237.3 Ų37.357%0.57420%0.204SC*.EExtended strand (participates in β ladder)trans-106.9119.7171.4-50.6-176.1000105.4E543I538-E543 WeakPolarHBondContact CA-O 3.47Å
539E72.6Confident81.9Confident26 Ų2636.6 Ų36.612%0.12120%0.199CC..  trans-77.4160.2174-72.1-168.9176.600110.5S541 G542 E543 I545E539-S541 PolarHBondContact O-N 2.82Å; E539-G542 WeakPolarHBondContact O-CA 3.45Å; E539-G542 PolarHBondContact O-N 2.74Å; E539-E543 PolarHBondContact N-O 3.28Å; E539-I545 HydrophobicContact CG-CG1 3.72Å
540E60.6Low81.5Confident174 Ų17434.4 Ų34.481%0.81319%0.19SC*.THydrogen-bonded Turntrans-61.5-24.9178.6-65.5-163.8160.800112.9G542E540-G542 PolarHBondContact O-N 2.87Å; E540-G542 VanDerWaalsContact O-N 3.17Å
541S64.2Low81.3Confident53 Ų5339 Ų3937%0.37121%0.211SC..THydrogen-bonded Turntrans-61.6-15.8170.659.20000113.4E539 E543E539-S541 PolarHBondContact O-N 2.82Å; S541-E543 PolarHBondContact OG-N 2.99Å
542G71.9Confident81.2Confident47 Ų4740 Ų4049%0.48522%0.216SC..SBendtrans88.70.3-172.400000113.7E539 E540E539-G542 WeakPolarHBondContact O-CA 3.45Å; E539-G542 PolarHBondContact O-N 2.74Å; E540-G542 PolarHBondContact O-N 2.87Å; E540-G542 VanDerWaalsContact O-N 3.17Å
543E80.9Confident81.5Confident54 Ų5439.8 Ų39.825%0.25222%0.215SC..  trans-71.4134.9176.7-67.6-174.8168.700111.3I538 E539 S541 I545I538-E543 WeakPolarHBondContact CA-O 3.47Å; E539-E543 PolarHBondContact N-O 3.28Å; S541-E543 PolarHBondContact OG-N 2.99Å; E543-I545 HydrophobicContact CB-CD1 4.04Å
544H88.5Confident81.8Confident19 Ų1939.7 Ų39.79%0.08821%0.214CC..EExtended strand (participates in β ladder)trans-88.8114171-60.6-66.7000109.6A508 V509 L517 L524A508-H544 CarbonylContact C-O 3.59Å; A508-H544 WeakPolarHBondContact CA-O 3.42Å; V509-H544 PolarHBondContact N-O 3.23Å; V509-H544 WeakPolarHBondContact O-CB 3.44Å; L517-H544 WeakPolarHBondContact CD1-NE2 3.39Å; L524-H544 HydrophobicContact CD1-CB 3.73Å
545I87.7Confident81.8Confident7 Ų744.1 Ų44.14%0.03624%0.235CC..EExtended strand (participates in β ladder)trans-103.8134.8-179.1-51.9-57.5000110.1R506 V507 A508 C536 I537 E539 E543R506-I545 HydrophobicContact CB-CG2 3.72Å; R506-I545 HydrophobicContact CG-CG2 3.98Å; V507-I545 WeakPolarHBondContact O-CA 3.4Å; A508-I545 HydrophobicContact CB-CD1 3.56Å; C536-I545 WeakPolarHBondContact CA-O 3.36Å; I537-I545 HydrophobicContact CD1-CB 4.32Å; I537-I545 HydrophobicContact CD1-CG2 4.46Å; I537-I545 HydrophobicContact CG1-CB 3.72Å; I537-I545 HydrophobicContact CG1-CG1 4.43Å; I537-I545 HydrophobicContact CG1-CG2 4.28Å; I537-I545 PolarHBondContact N-O 2.81Å; I537-I545 PolarHBondContact O-N 3.45Å; E539-I545 HydrophobicContact CG-CG1 3.72Å; E543-I545 HydrophobicContact CB-CD1 4.04Å
546I91.8Very high82Confident0 Ų039.8 Ų39.80%022%0.215CC..EExtended strand (participates in β ladder)trans-110.5120.8169-52.9-179.4000107.8R506 V507 V509 L524 L527 V534 Q535 L554 L558 L561R506-I546 CarbonylContact C-O 3.53Å; R506-I546 WeakPolarHBondContact CA-O 3.42Å; V507-I546 PolarHBondContact N-O 2.77Å; V507-I546 PolarHBondContact O-N 3.34Å; V509-I546 HydrophobicContact CB-CD1 4.44Å; V509-I546 HydrophobicContact CG2-CD1 3.65Å; V509-I546 HydrophobicContact CG2-CG1 3.96Å; L524-I546 HydrophobicContact CD2-CD1 3.68Å; L524-I546 HydrophobicContact CD2-CG1 3.76Å; L527-I546 HydrophobicContact CD2-CD1 3.86Å; L527-I546 HydrophobicContact CD2-CG2 4.19Å; V534-I546 HydrophobicContact CG2-CG2 3.7Å; Q535-I546 WeakPolarHBondContact O-CA 3.46Å; I546-L554 HydrophobicContact CB-CD1 4.02Å; I546-L554 HydrophobicContact CG2-CD1 3.56Å; I546-L558 HydrophobicContact CD1-CD2 3.89Å; I546-L561 HydrophobicContact CD1-CD2 3.54Å
547A86.4Confident82.1Confident1 Ų138.1 Ų38.11%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-107.1130.4174.800000111.1P503 V505 R506 V534 Q535P503-A547 HydrophobicContact CB-CB 4.03Å; V505-A547 CarbonylContact O-C 3.58Å; V505-A547 WeakPolarHBondContact O-CA 3.38Å; R506-A547 HydrophobicContact CG-CB 3.86Å; V534-A547 WeakPolarHBondContact CA-O 3.35Å; V534-A547 VanDerWaalsContact CG2-O 3.29Å; V534-A547 WeakPolarHBondContact CG2-O 3.37Å; Q535-A547 HydrophobicContact CB-CB 4.19Å; Q535-A547 PolarHBondContact N-O 3.33Å; Q535-A547 PolarHBondContact O-N 2.86Å
548G85.2Confident82.4Confident0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-130172.2178.900000112.4P503 V504 V505P503-G548 CarbonylContact C-O 3.58Å; P503-G548 VanDerWaalsContact C-O 3.3Å; P503-G548 WeakPolarHBondContact CA-O 3.1Å; V504-G548 PolarHBondContact N-O 3.19Å; V505-G548 PolarHBondContact N-O 3.23Å; V505-G548 PolarHBondContact O-N 3.41Å
549A79Confident82.9Confident4 Ų433.9 Ų33.93%0.03318%0.179CC..SBendtrans-65.9-38.3-179.300000113.3D110 V501 M533 H553 Y745D110-A549 HydrophobicContact CB-CB 4.49Å; D110-A549 WeakPolarHBondContact O-CB 3.26Å; V501-A549 HydrophobicContact CG1-CB 4.16Å; M533-A549 HydrophobicContact CE-CB 3.4Å; M533-A549 VanDerWaalsContact CE-CB 3.4Å; M533-A549 HydrophobicContact SD-CB 3.71Å; A549-H553 PolarHBondContact N-ND1 3.07Å; A549-Y745 PolarHBondContact O-OH 2.84Å
550G79.4Confident83.7Confident3 Ų333 Ų333%0.03118%0.175CC..SBendtrans-162.3175.5-170.200000110.7L554G550-L554 WeakPolarHBondContact O-CB 3.44Å; G550-L554 PolarHBondContact O-N 2.94Å; G550-L554 VanDerWaalsContact O-N 3.09Å
551E81.3Confident85.2Confident98 Ų9824.7 Ų24.746%0.45814%0.136SC..Hα-helixtrans-62.9-45.7-174.6-172.7179.1168.100112.1H553 L554 E555E551-H553 PolarHBondContact O-N 3.28Å; E551-L554 PolarHBondContact O-N 2.98Å; E551-E555 PolarHBondContact O-N 2.71Å
552L84.2Confident86.5Confident30 Ų3024.6 Ų24.616%0.15713%0.13CC..Hα-helixtrans-64.8-43.4-178.517063.9000111.5I68 H108 D110 F111 L554 E555 I556I68-L552 HydrophobicContact CD1-CD2 4.08Å; H108-L552 WeakPolarHBondContact NE2-CD2 3.37Å; D110-L552 WeakPolarHBondContact OD2-CB 3.4Å; D110-L552 PolarHBondContact OD2-N 2.52Å; F111-L552 HydrophobicContact CE2-CD2 4.29Å; F111-L552 HydrophobicContact CZ-CG 4.31Å; L552-L554 VanDerWaalsContact C-N 3.32Å; L552-L554 PolarHBondContact O-N 2.79Å; L552-E555 WeakPolarHBondContact O-CB 3.26Å; L552-E555 PolarHBondContact O-N 2.66Å; L552-I556 HydrophobicContact CD1-CD1 3.86Å; L552-I556 HydrophobicContact CG-CD1 4.21Å; L552-I556 PolarHBondContact O-N 3.34Å; L552-I556 VanDerWaalsContact O-N 3.13Å
553H85.9Confident87.4Confident1 Ų127.5 Ų27.51%0.00513%0.131CC..Hα-helixtrans-63.3-40.4176.3167.8-156.2000111.6D110 F111 D531 M533 A549 E551 I556 C557D110-H553 HydrophobicContact CB-CB 3.6Å; D110-H553 PolarHBondContact O-ND1 2.81Å; D110-H553 PolarHBondContact OD2-N 3.26Å; F111-H553 HydrophobicContact CD1-CB 4.3Å; F111-H553 HydrophobicContact CE1-CB 3.77Å; F111-H553 AromaticContact CE1-CD2 3.82Å; F111-H553 HydrophobicContact CZ-CB 4.28Å; D531-H553 IonicContact OD1-CE1 2.67Å; D531-H553 IonicContact OD1-NE2 3.42Å; D531-H553 IonicContact OD2-CD2 3.96Å; D531-H553 IonicContact OD2-CE1 3.41Å; D531-H553 IonicContact OD2-NE2 2.79Å; D531-H553 PolarHBondContact OD2-NE2 3.24Å; D531-H553 VanDerWaalsContact OD2-NE2 3.09Å; M533-H553 WeakPolarHBondContact CG-CE1 3.47Å; M533-H553 VanDerWaalsContact SD-CE1 3.57Å; A549-H553 PolarHBondContact N-ND1 3.07Å; E551-H553 PolarHBondContact O-N 3.28Å; H553-I556 PolarHBondContact O-N 3.08Å; H553-C557 PolarHBondContact CD2-SG 3.35Å; H553-C557 PolarHBondContact NE2-SG 2.85Å; H553-C557 PolarHBondContact O-N 3.31Å; H553-C557 PolarHBondContact O-SG 2.84Å; H553-C557 VanDerWaalsContact O-SG 3.38Å
554L87.9Confident87.5Confident4 Ų428.8 Ų28.82%0.02114%0.14CC..Hα-helixtrans-68.2-38.9177.8-163.760000112.3V505 V507 I546 G550 E551 L552 I556 C557 L558V505-L554 HydrophobicContact CG1-CD2 3.87Å; V507-L554 HydrophobicContact CB-CD2 3.77Å; V507-L554 HydrophobicContact CB-CG 4.46Å; V507-L554 HydrophobicContact CG2-CD2 3.31Å; V507-L554 HydrophobicContact CG2-CG 4.24Å; I546-L554 HydrophobicContact CB-CD1 4.02Å; I546-L554 HydrophobicContact CG2-CD1 3.56Å; G550-L554 WeakPolarHBondContact O-CB 3.44Å; G550-L554 PolarHBondContact O-N 2.94Å; G550-L554 VanDerWaalsContact O-N 3.09Å; E551-L554 PolarHBondContact O-N 2.98Å; L552-L554 VanDerWaalsContact C-N 3.32Å; L552-L554 PolarHBondContact O-N 2.79Å; L554-I556 VanDerWaalsContact C-N 3.32Å; L554-I556 PolarHBondContact O-N 3.05Å; L554-C557 PolarHBondContact O-N 2.93Å; L554-L558 HydrophobicContact CG-CD1 4.05Å; L554-L558 HydrophobicContact CG-CG 4.44Å; L554-L558 WeakPolarHBondContact O-CB 3.46Å; L554-L558 WeakPolarHBondContact O-CD1 3.29Å; L554-L558 WeakPolarHBondContact O-CG 3.19Å; L554-L558 PolarHBondContact O-N 2.87Å
555E88.5Confident87.6Confident93 Ų9328.9 Ų28.944%0.43514%0.14SC..Hα-helixtrans-54.2-48.8173.1-170.7-157.1160.200111R66 E551 L552 L558 K559R66-E555 IonicContact CZ-OE1 3.6Å; R66-E555 IonicContact CZ-OE2 3.69Å; R66-E555 IonicContact NH1-OE1 3.59Å; R66-E555 IonicContact NH1-OE2 3.39Å; R66-E555 PolarHBondContact NH1-OE2 3.46Å; R66-E555 IonicContact NH2-OE1 3.48Å; R66-E555 PolarHBondContact NH2-OE1 2.63Å; R66-E555 IonicContact NH2-OE2 2.82Å; R66-E555 PolarHBondContact NH2-OE2 3.29Å; E551-E555 PolarHBondContact O-N 2.71Å; L552-E555 WeakPolarHBondContact O-CB 3.26Å; L552-E555 PolarHBondContact O-N 2.66Å; E555-L558 PolarHBondContact O-N 3.09Å; E555-K559 WeakPolarHBondContact O-CB 3.49Å; E555-K559 PolarHBondContact O-N 2.83Å
556I89.4Confident87.7Confident5 Ų528.9 Ų28.93%0.02614%0.141CC..Hα-helixtrans-67.1-43178.9-73.9158.7000111.2I70 F111 L552 H553 L554 L558 K559 D560I70-I556 HydrophobicContact CD1-CD1 3.61Å; I70-I556 HydrophobicContact CD1-CG1 4.49Å; I70-I556 HydrophobicContact CG1-CD1 4.17Å; I70-I556 HydrophobicContact CG2-CD1 4.36Å; I70-I556 HydrophobicContact CG2-CG2 4.21Å; F111-I556 HydrophobicContact CE1-CD1 4.28Å; F111-I556 HydrophobicContact CE2-CD1 4.35Å; F111-I556 HydrophobicContact CZ-CD1 3.51Å; L552-I556 HydrophobicContact CD1-CD1 3.86Å; L552-I556 HydrophobicContact CG-CD1 4.21Å; L552-I556 PolarHBondContact O-N 3.34Å; L552-I556 VanDerWaalsContact O-N 3.13Å; H553-I556 PolarHBondContact O-N 3.08Å; L554-I556 VanDerWaalsContact C-N 3.32Å; L554-I556 PolarHBondContact O-N 3.05Å; I556-L558 VanDerWaalsContact C-N 3.31Å; I556-L558 PolarHBondContact O-N 2.89Å; I556-K559 PolarHBondContact O-N 2.78Å; I556-D560 WeakPolarHBondContact O-CB 3.49Å; I556-D560 PolarHBondContact O-N 3.31Å
557C91.3Very high87.7Confident3 Ų332 Ų322%0.0216%0.162CC..Hα-helixtrans-59.9-41.7175.6-77.60000112.6L527 V534 H553 L554 K559 D560 L561L527-C557 HydrophobicContact CD1-CB 4.08Å; L527-C557 HydrophobicContact CD2-CB 4.24Å; V534-C557 HydrophobicContact CG2-CB 4.41Å; H553-C557 PolarHBondContact CD2-SG 3.35Å; H553-C557 PolarHBondContact NE2-SG 2.85Å; H553-C557 PolarHBondContact O-N 3.31Å; H553-C557 PolarHBondContact O-SG 2.84Å; H553-C557 VanDerWaalsContact O-SG 3.38Å; L554-C557 PolarHBondContact O-N 2.93Å; C557-K559 VanDerWaalsContact C-N 3.32Å; C557-D560 PolarHBondContact O-N 3.12Å; C557-L561 WeakPolarHBondContact O-CB 3.33Å; C557-L561 PolarHBondContact O-N 3.2Å
558L92.3Very high88Confident15 Ų1532.3 Ų32.38%0.07916%0.163CC..Hα-helixtrans-67.3-35.8178.1-71.6166000111.4V507 V509 I546 L554 E555 I556 E562 K572V507-L558 HydrophobicContact CB-CD1 4.49Å; V507-L558 HydrophobicContact CG1-CD1 4.17Å; V507-L558 HydrophobicContact CG1-CD2 4.37Å; V509-L558 HydrophobicContact CG2-CD2 3.45Å; V509-L558 VanDerWaalsContact CG2-CD2 3.45Å; I546-L558 HydrophobicContact CD1-CD2 3.89Å; L554-L558 HydrophobicContact CG-CD1 4.05Å; L554-L558 HydrophobicContact CG-CG 4.44Å; L554-L558 WeakPolarHBondContact O-CB 3.46Å; L554-L558 WeakPolarHBondContact O-CD1 3.29Å; L554-L558 WeakPolarHBondContact O-CG 3.19Å; L554-L558 PolarHBondContact O-N 2.87Å; E555-L558 PolarHBondContact O-N 3.09Å; I556-L558 VanDerWaalsContact C-N 3.31Å; I556-L558 PolarHBondContact O-N 2.89Å; L558-E562 WeakPolarHBondContact O-CB 3.47Å; L558-E562 PolarHBondContact O-N 2.89Å; L558-K572 HydrophobicContact CB-CD 4.38Å; L558-K572 HydrophobicContact CD1-CD 4.24Å; L558-K572 HydrophobicContact CD2-CD 4.36Å; L558-K572 HydrophobicContact CD2-CG 4.36Å
559K91.4Very high88.4Confident75 Ų7535.7 Ų35.733%0.32619%0.185SC..Hα-helixtrans-69-47.7174-169.2179.5177.9-176.50111.7E555 I556 C557 L561 E562 E563E555-K559 WeakPolarHBondContact O-CB 3.49Å; E555-K559 PolarHBondContact O-N 2.83Å; I556-K559 PolarHBondContact O-N 2.78Å; C557-K559 VanDerWaalsContact C-N 3.32Å; K559-L561 PolarHBondContact O-N 2.85Å; K559-E562 PolarHBondContact O-N 2.88Å; K559-E563 WeakPolarHBondContact CE-OE1 3.39Å; K559-E563 WeakPolarHBondContact CE-OE2 3.36Å; K559-E563 HydrophobicContact CG-CG 4.18Å; K559-E563 WeakPolarHBondContact O-CB 3.26Å; K559-E563 PolarHBondContact O-N 3.43Å
560D89.8Confident89.1Confident6 Ų635.8 Ų35.83%0.03219%0.186CC..Hα-helixtrans-56.9-39.4174.4-77.714.8000110.6R60 K71 L527 I556 C557 D564 H565R60-D560 IonicContact CZ-OD1 3.59Å; R60-D560 IonicContact CZ-OD2 3.6Å; R60-D560 IonicContact NH1-OD1 3.77Å; R60-D560 PolarHBondContact NH1-OD1 3.33Å; R60-D560 IonicContact NH1-OD2 3Å; R60-D560 PolarHBondContact NH1-OD2 3.09Å; R60-D560 IonicContact NH2-OD1 3.05Å; R60-D560 PolarHBondContact NH2-OD1 3.48Å; R60-D560 IonicContact NH2-OD2 3.34Å; K71-D560 IonicContact NZ-OD2 2.77Å; K71-D560 PolarHBondContact NZ-OD2 3.32Å; L527-D560 HydrophobicContact CD1-CB 4.35Å; I556-D560 WeakPolarHBondContact O-CB 3.49Å; I556-D560 PolarHBondContact O-N 3.31Å; C557-D560 PolarHBondContact O-N 3.12Å; D560-D564 CarbonylContact O-C 3.41Å; D560-D564 WeakPolarHBondContact O-CA 3.3Å; D560-D564 WeakPolarHBondContact O-CB 3.34Å; D560-D564 PolarHBondContact O-N 3.2Å; D560-H565 PolarHBondContact O-CD2 2.87Å; D560-H565 PolarHBondContact O-N 3.46Å
561L92.1Very high89.8Confident0 Ų041.6 Ų41.60%021%0.21CC..Iπ-helixtrans-65.3-48.6176.4-173.761.4000112.5V509 L520 L524 L527 I546 C557 K559 H565 A566 C567 L570V509-L561 HydrophobicContact CG1-CD2 4.23Å; L520-L561 HydrophobicContact CD1-CD2 4.03Å; L524-L561 HydrophobicContact CD2-CD1 4.4Å; L524-L561 HydrophobicContact CD2-CD2 3.69Å; L524-L561 HydrophobicContact CG-CD1 4.47Å; L524-L561 HydrophobicContact CG-CD2 4.35Å; L527-L561 HydrophobicContact CB-CD1 4.48Å; L527-L561 HydrophobicContact CD2-CB 4.32Å; L527-L561 HydrophobicContact CD2-CD2 4.45Å; I546-L561 HydrophobicContact CD1-CD2 3.54Å; C557-L561 WeakPolarHBondContact O-CB 3.33Å; C557-L561 PolarHBondContact O-N 3.2Å; K559-L561 PolarHBondContact O-N 2.85Å; L561-H565 HydrophobicContact CD1-CB 4.21Å; L561-A566 HydrophobicContact CD1-CB 3.94Å; L561-A566 HydrophobicContact CG-CB 4.33Å; L561-A566 WeakPolarHBondContact O-CA 3.16Å; L561-A566 VanDerWaalsContact O-CB 3.23Å; L561-A566 WeakPolarHBondContact O-CB 3.27Å; L561-A566 PolarHBondContact O-N 3.48Å; L561-C567 PolarHBondContact O-N 2.77Å; L561-L570 HydrophobicContact CB-CD1 4.15Å; L561-L570 HydrophobicContact CD2-CD1 3.78Å; L561-L570 HydrophobicContact CG-CD1 3.84Å
562E92.6Very high90.3Very high52 Ų5241.1 Ų41.124%0.24321%0.206CC..Iπ-helixtrans-70.4-40.6-177.1-179.4155-145.300112.6L558 K559 C567 I568 P569 L570 K572L558-E562 WeakPolarHBondContact O-CB 3.47Å; L558-E562 PolarHBondContact O-N 2.89Å; K559-E562 PolarHBondContact O-N 2.88Å; E562-C567 CarbonylContact O-C 3.57Å; E562-C567 WeakPolarHBondContact O-CA 3.26Å; E562-C567 PolarHBondContact O-N 3.04Å; E562-I568 WeakPolarHBondContact CG-O 3.36Å; E562-I568 PolarHBondContact O-N 3.43Å; E562-P569 WeakPolarHBondContact OE1-CA 3.27Å; E562-L570 HydrophobicContact CB-CD1 3.84Å; E562-L570 HydrophobicContact CB-CG 4.11Å; E562-L570 HydrophobicContact CG-CG 4.41Å; E562-L570 PolarHBondContact OE1-N 3.32Å; E562-L570 VanDerWaalsContact OE1-N 3.1Å; E562-K572 VanDerWaalsContact OE2-CE 3.29Å; E562-K572 WeakPolarHBondContact OE2-CE 3.5Å; E562-K572 IonicContact OE2-NZ 2.71Å; E562-K572 PolarHBondContact OE2-NZ 2.86Å
563E89.1Confident90.5Very high108 Ų10842.1 Ų42.151%0.50522%0.216SC..Iπ-helixtrans-94-40.1-172.8-63.7-176.9-176.900113.1K559 C567K559-E563 WeakPolarHBondContact CE-OE1 3.39Å; K559-E563 WeakPolarHBondContact CE-OE2 3.36Å; K559-E563 HydrophobicContact CG-CG 4.18Å; K559-E563 WeakPolarHBondContact O-CB 3.26Å; K559-E563 PolarHBondContact O-N 3.43Å; E563-C567 PolarHBondContact O-SG 3.47Å
564D84.8Confident90.4Very high81 Ų8148.7 Ų48.743%0.43325%0.251SS..Iπ-helixtrans-111.7-42-168-71.2-34.7000114.7D560D560-D564 CarbonylContact O-C 3.41Å; D560-D564 WeakPolarHBondContact O-CA 3.3Å; D560-D564 WeakPolarHBondContact O-CB 3.34Å; D560-D564 PolarHBondContact O-N 3.2Å
565H89.1Confident90.2Very high21 Ų2150.5 Ų50.510%0.09726%0.263CS..Iπ-helixtrans-91-56.1-170.9-59.9-38.5000113.4R526 D560 L561R526-H565 HydrophobicContact CB-CB 4.19Å; R526-H565 PolarHBondContact NH1-O 3.48Å; D560-H565 PolarHBondContact O-CD2 2.87Å; D560-H565 PolarHBondContact O-N 3.46Å; L561-H565 HydrophobicContact CD1-CB 4.21Å
566A90.5Very high89.9Confident7 Ų748 Ų486%0.05825%0.254CS..SBendtrans-90.7-30.9178.500000111.6L561 I568L561-A566 HydrophobicContact CD1-CB 3.94Å; L561-A566 HydrophobicContact CG-CB 4.33Å; L561-A566 WeakPolarHBondContact O-CA 3.16Å; L561-A566 VanDerWaalsContact O-CB 3.23Å; L561-A566 WeakPolarHBondContact O-CB 3.27Å; L561-A566 PolarHBondContact O-N 3.48Å; A566-I568 VanDerWaalsContact C-N 3.3Å; A566-I568 HydrophobicContact CB-CD1 4.25Å; A566-I568 HydrophobicContact CB-CG1 3.78Å; A566-I568 PolarHBondContact O-N 2.93Å
567C91Very high89.5Confident65 Ų6548 Ų4844%0.43925%0.254SS..  trans54.342.6-177.8-60.20000112.8L561 E562 E563L561-C567 PolarHBondContact O-N 2.77Å; E562-C567 CarbonylContact O-C 3.57Å; E562-C567 WeakPolarHBondContact O-CA 3.26Å; E562-C567 PolarHBondContact O-N 3.04Å; E563-C567 PolarHBondContact O-SG 3.47Å
568I93.4Very high89Confident7 Ų748 Ų484%0.03625%0.254CS..SBendtrans-138.1149.7-178.660.5171.4000110.6A511 D516 K519 L520 E562 A566 L570A511-I568 HydrophobicContact CB-CD1 3.95Å; D516-I568 HydrophobicContact CB-CB 4.43Å; D516-I568 HydrophobicContact CB-CD1 3.94Å; D516-I568 HydrophobicContact CB-CG2 3.95Å; K519-I568 HydrophobicContact CB-CG2 4.23Å; K519-I568 HydrophobicContact CD-CG2 3.75Å; L520-I568 HydrophobicContact CB-CD1 3.87Å; E562-I568 WeakPolarHBondContact CG-O 3.36Å; E562-I568 PolarHBondContact O-N 3.43Å; A566-I568 VanDerWaalsContact C-N 3.3Å; A566-I568 HydrophobicContact CB-CD1 4.25Å; A566-I568 HydrophobicContact CB-CG1 3.78Å; A566-I568 PolarHBondContact O-N 2.93Å; I568-L570 HydrophobicContact CD1-CD2 4.09Å; I568-L570 HydrophobicContact CG1-CD2 3.88Å; I568-L570 PolarHBondContact O-N 3.27Å
569P94.5Very high88.9Confident71 Ų7147.9 Ų47.946%0.46125%0.253SS..  trans-63.5129.3173.1-22.934.9000112.3K512 E562K512-P569 HydrophobicContact CB-CB 4.31Å; K512-P569 HydrophobicContact CD-CB 3.72Å; K512-P569 HydrophobicContact CG-CB 4.14Å; K512-P569 PolarHBondContact N-O 3.23Å; K512-P569 VanDerWaalsContact N-O 3.13Å; E562-P569 WeakPolarHBondContact OE1-CA 3.27Å
570L93.8Very high88.9Confident7 Ų746.4 Ų46.44%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-106.3146.3-178.3-57.9178.7000112.1V509 E510 K512 L520 L561 E562 I568 K572V509-L570 HydrophobicContact CG1-CB 4.21Å; V509-L570 HydrophobicContact CG1-CD1 3.87Å; V509-L570 HydrophobicContact CG1-CD2 3.97Å; V509-L570 HydrophobicContact CG1-CG 4.24Å; E510-L570 WeakPolarHBondContact O-CA 3.41Å; K512-L570 WeakPolarHBondContact CE-O 3Å; L520-L570 HydrophobicContact CD1-CD2 3.73Å; L561-L570 HydrophobicContact CB-CD1 4.15Å; L561-L570 HydrophobicContact CD2-CD1 3.78Å; L561-L570 HydrophobicContact CG-CD1 3.84Å; E562-L570 HydrophobicContact CB-CD1 3.84Å; E562-L570 HydrophobicContact CB-CG 4.11Å; E562-L570 HydrophobicContact CG-CG 4.41Å; E562-L570 PolarHBondContact OE1-N 3.32Å; E562-L570 VanDerWaalsContact OE1-N 3.1Å; I568-L570 HydrophobicContact CD1-CD2 4.09Å; I568-L570 HydrophobicContact CG1-CD2 3.88Å; I568-L570 PolarHBondContact O-N 3.27Å; L570-K572 HydrophobicContact CB-CG 4.28Å
571K92.6Very high89.2Confident124 Ų12446.1 Ų46.154%0.53924%0.243SC..EExtended strand (participates in β ladder)trans-102124.2163.2179.4-179.6162.5-137.10107.1E510 K512E510-K571 HydrophobicContact CB-CB 4.3Å; E510-K571 PolarHBondContact N-O 3.38Å; E510-K571 PolarHBondContact O-N 2.92Å; E510-K571 IonicContact OE2-NZ 2.79Å; E510-K571 PolarHBondContact OE2-NZ 3.37Å; K512-K571 HydrophobicContact CG-CB 4.28Å
572K92.4Very high89.4Confident89 Ų8946.4 Ų46.439%0.38725%0.246SC..EExtended strand (participates in β ladder)trans-117.9132.6-170.6-55.5167.6-171.6177.60107.5V507 L558 E562 L570V507-K572 HydrophobicContact CG1-CB 4.28Å; L558-K572 HydrophobicContact CB-CD 4.38Å; L558-K572 HydrophobicContact CD1-CD 4.24Å; L558-K572 HydrophobicContact CD2-CD 4.36Å; L558-K572 HydrophobicContact CD2-CG 4.36Å; E562-K572 VanDerWaalsContact OE2-CE 3.29Å; E562-K572 WeakPolarHBondContact OE2-CE 3.5Å; E562-K572 IonicContact OE2-NZ 2.71Å; E562-K572 PolarHBondContact OE2-NZ 2.86Å; L570-K572 HydrophobicContact CB-CG 4.28Å
573S88.3Confident89.6Confident50 Ų5044.1 Ų44.135%0.3524%0.235SC..PPolyproline II helixtrans-76.6170.7171.4750000111.1A508A508-S573 WeakPolarHBondContact CB-OG 3.27Å; A508-S573 PolarHBondContact N-OG 2.59Å; A508-S573 PolarHBondContact O-N 3.08Å
574D83.9Confident89.9Confident139 Ų13941.3 Ų41.374%0.74323%0.225SC*.PPolyproline II helixtrans-63148.1164.1-63.5-39000110.4
575P83.3Confident90.5Very high43 Ų4342.3 Ų42.328%0.27923%0.227SC..PPolyproline II helixtrans-68.1136.8177.228.6-34000110.9V505 R506 V507 F794V505-P575 HydrophobicContact CG1-CB 3.94Å; R506-P575 CarbonylContact O-C 3.41Å; R506-P575 WeakPolarHBondContact O-CA 3.19Å; V507-P575 HydrophobicContact CG2-CB 3.86Å; P575-F794 HydrophobicContact CB-CD1 4.25Å; P575-F794 HydrophobicContact CB-CE1 3.76Å; P575-F794 HydrophobicContact CB-CE2 4.44Å; P575-F794 HydrophobicContact CB-CZ 3.86Å; P575-F794 HydrophobicContact CG-CD1 3.92Å; P575-F794 HydrophobicContact CG-CD2 4.41Å; P575-F794 HydrophobicContact CG-CE1 3.94Å; P575-F794 HydrophobicContact CG-CE2 4.41Å; P575-F794 HydrophobicContact CG-CG 4.17Å; P575-F794 HydrophobicContact CG-CZ 4.18Å; P575-F794 WeakPolarHBondContact O-CE2 3.42Å
576V81.6Confident90.8Very high41 Ų4145.6 Ų45.625%0.24824%0.243CC..EExtended strand (participates in β ladder)trans-125.2156.3177.3-62.50000109.9R506R506-V576 HydrophobicContact CB-CG2 3.95Å; R506-V576 PolarHBondContact N-O 3.28Å; R506-V576 PolarHBondContact O-N 3.35Å
577V82.4Confident91.1Very high5 Ų545.4 Ų45.43%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-100.8150.7179.6-56.80000112.4V504 Y579 P743 V790 N791 F794V504-V577 WeakPolarHBondContact O-CA 3.44Å; V577-Y579 HydrophobicContact CG2-CD2 4.09Å; V577-Y579 HydrophobicContact CG2-CE1 4.14Å; V577-Y579 HydrophobicContact CG2-CE2 3.39Å; V577-Y579 VanDerWaalsContact CG2-CZ 3.4Å; V577-Y579 WeakPolarHBondContact CG2-OH 3.44Å; V577-P743 HydrophobicContact CB-CG 4.36Å; V577-V790 HydrophobicContact CG1-CB 4.01Å; V577-V790 HydrophobicContact CG1-CG1 3.57Å; V577-N791 HydrophobicContact CG1-CB 4.12Å; V577-N791 HydrophobicContact CG2-CB 3.93Å; V577-F794 HydrophobicContact CG1-CE2 4.01Å; V577-F794 HydrophobicContact CG1-CZ 3.67Å
578S80.4Confident91.3Very high2 Ų248.2 Ų48.21%0.01425%0.251CS..PPolyproline II helixtrans-78.8131.8168.9-50.30000110.1V504 R506 P743 W817V504-S578 PolarHBondContact O-N 3.06Å; V504-S578 PolarHBondContact O-OG 2.96Å; R506-S578 PolarHBondContact NE-OG 3.36Å; R506-S578 VanDerWaalsContact NH2-CB 3.29Å; R506-S578 PolarHBondContact NH2-OG 2.91Å; S578-P743 WeakPolarHBondContact O-CD 3.25Å; S578-P743 WeakPolarHBondContact O-CG 3.08Å; S578-W817 WeakPolarHBondContact O-CZ3 3.49Å
579Y89.9Confident91.4Very high13 Ų1351.6 Ų51.65%0.05127%0.267CS..PPolyproline II helixtrans-103.1172172.2-66.1-92.7000110.5V577 L740 M741 E742 V834 I838V577-Y579 HydrophobicContact CG2-CD2 4.09Å; V577-Y579 HydrophobicContact CG2-CE1 4.14Å; V577-Y579 HydrophobicContact CG2-CE2 3.39Å; V577-Y579 VanDerWaalsContact CG2-CZ 3.4Å; V577-Y579 WeakPolarHBondContact CG2-OH 3.44Å; Y579-L740 HydrophobicContact CD1-CD2 3.63Å; Y579-L740 HydrophobicContact CD1-CG 3.91Å; Y579-L740 HydrophobicContact CE1-CD2 4.15Å; Y579-L740 HydrophobicContact CG-CD1 4.41Å; Y579-L740 HydrophobicContact CG-CD2 3.91Å; Y579-L740 HydrophobicContact CG-CG 4.15Å; Y579-M741 WeakPolarHBondContact CA-O 3.24Å; Y579-M741 WeakPolarHBondContact CD1-O 3.39Å; Y579-E742 HydrophobicContact CD1-CB 4.12Å; Y579-E742 HydrophobicContact CE1-CB 3.84Å; Y579-V834 HydrophobicContact CD1-CG1 4.47Å; Y579-V834 HydrophobicContact CD2-CG1 4.03Å; Y579-V834 HydrophobicContact CE1-CG1 4.04Å; Y579-V834 HydrophobicContact CE2-CG1 3.53Å; Y579-V834 HydrophobicContact CG-CG1 4.47Å; Y579-I838 HydrophobicContact CD2-CD1 3.64Å; Y579-I838 HydrophobicContact CE2-CD1 4.12Å; Y579-I838 HydrophobicContact CG-CD1 4.42Å
580R92.3Very high91.5Very high43 Ų4351.8 Ų51.816%0.16226%0.263CS..EExtended strand (participates in β ladder)trans-126.6152.1167.9-62.2-69.8173.8-113.26.9110.1E695 N696 R698 M741 W817R580-E695 IonicContact NH1-OE2 2.77Å; R580-N696 WeakPolarHBondContact CA-O 3.17Å; R580-N696 VanDerWaalsContact CD-O 3.23Å; R580-N696 WeakPolarHBondContact CD-O 3.4Å; R580-R698 HydrophobicContact CB-CB 3.91Å; R580-R698 HydrophobicContact CG-CB 4.22Å; R580-M741 HydrophobicContact CB-CB 4.2Å; R580-M741 PolarHBondContact N-O 2.78Å; R580-M741 VanDerWaalsContact N-O 3.09Å; R580-M741 PolarHBondContact O-N 3.1Å; R580-W817 HydrophobicContact CB-CE3 4.22Å; R580-W817 HydrophobicContact CB-CZ3 4.36Å; R580-W817 HydrophobicContact CG-CD2 3.77Å; R580-W817 HydrophobicContact CG-CE3 3.64Å; R580-W817 HydrophobicContact CG-CH2 3.66Å; R580-W817 HydrophobicContact CG-CZ2 3.79Å; R580-W817 HydrophobicContact CG-CZ3 3.57Å
581E95.6Very high91.6Very high0 Ų051.5 Ų51.50%026%0.261CS..EExtended strand (participates in β ladder)trans-102133.6174.4-55.6-175.6-168.500109.9G690 A691 L692 C693 E694 E695 N696 M697 R698 Q733 L740E581-G690 WeakPolarHBondContact OE2-CA 3.24Å; E581-A691 PolarHBondContact OE2-N 3.3Å; E581-L692 HydrophobicContact CG-CB 4.28Å; E581-L692 HydrophobicContact CG-CD1 4.35Å; E581-L692 PolarHBondContact OE1-N 3.13Å; E581-L692 WeakPolarHBondContact OE2-CB 3.48Å; E581-L692 PolarHBondContact OE2-N 2.89Å; E581-C693 PolarHBondContact OE1-N 2.95Å; E581-E694 PolarHBondContact OE1-N 2.83Å; E581-E695 HydrophobicContact CG-CB 4.25Å; E581-E695 WeakPolarHBondContact CG-O 3.34Å; E581-E695 PolarHBondContact OE1-N 2.81Å; E581-N696 PolarHBondContact N-O 3.4Å; E581-N696 VanDerWaalsContact N-O 3.08Å; E581-M697 CarbonylContact O-C 3.14Å; E581-M697 VanDerWaalsContact O-CA 3.25Å; E581-M697 WeakPolarHBondContact O-CA 3.33Å; E581-R698 PolarHBondContact O-N 2.93Å; E581-Q733 PolarHBondContact OE2-NE2 3.18Å; E581-L740 HydrophobicContact CG-CD1 4.48Å
582T96.6Very high91.8Very high7 Ų746 Ų464%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-135.4-180176.5-168.90000110.6R698 P738 R739 M741 I819T582-R698 VanDerWaalsContact CB-O 3.29Å; T582-R698 WeakPolarHBondContact CB-O 3.48Å; T582-R698 PolarHBondContact OG1-O 3.23Å; T582-P738 CarbonylContact O-C 3.58Å; T582-P738 VanDerWaalsContact O-CA 3.31Å; T582-P738 WeakPolarHBondContact O-CA 3.36Å; T582-R739 HydrophobicContact CG2-CB 3.91Å; T582-R739 PolarHBondContact N-O 3.24Å; T582-R739 PolarHBondContact O-N 2.78Å; T582-M741 HydrophobicContact CG2-CG 3.55Å; T582-M741 HydrophobicContact CG2-SD 3.8Å; T582-I819 HydrophobicContact CG2-CG1 4.31Å
583V96.7Very high92Very high3 Ų341.8 Ų41.82%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-127.4151174.3-64.20000108.9P608 I700 Q733 A736V583-P608 HydrophobicContact CG2-CB 4.41Å; V583-I700 HydrophobicContact CG1-CD1 4.03Å; V583-I700 HydrophobicContact CG2-CB 4.45Å; V583-I700 HydrophobicContact CG2-CG1 4.15Å; V583-I700 HydrophobicContact CG2-CG2 3.88Å; V583-Q733 HydrophobicContact CG1-CG 3.91Å; V583-A736 HydrophobicContact CB-CB 3.79Å; V583-A736 WeakPolarHBondContact CB-O 3.26Å; V583-A736 HydrophobicContact CG1-CB 3.66Å; V583-A736 HydrophobicContact CG2-CB 4.35Å
584T95.3Very high92.4Very high50 Ų5041.6 Ų41.631%0.30721%0.212SC..SBendtrans-109-18.8178.7470000114.2A736 Q737 R739 I819T584-A736 PolarHBondContact N-O 3.15Å; T584-Q737 PolarHBondContact N-O 2.97Å; T584-Q737 PolarHBondContact OG1-O 3.34Å; T584-R739 HydrophobicContact CG2-CB 4.43Å; T584-R739 HydrophobicContact CG2-CG 3.47Å; T584-R739 VanDerWaalsContact CG2-CG 3.47Å; T584-I819 HydrophobicContact CG2-CD1 4.08Å
585E96.1Very high92.9Very high101 Ų10135.2 Ų35.247%0.47218%0.178SC..SBendtrans-130.8171-179.5-68.2-169.8-173.100111.4P608 A736 Q737E585-P608 VanDerWaalsContact O-CD 3.31Å; E585-P608 WeakPolarHBondContact O-CD 3.31Å; E585-A736 PolarHBondContact N-O 2.99Å; E585-A736 WeakPolarHBondContact O-CB 3.27Å; E585-Q737 HydrophobicContact CB-CG 4.34Å; E585-Q737 HydrophobicContact CG-CG 4.43Å; E585-Q737 PolarHBondContact OE1-NE2 3.32Å; E585-Q737 PolarHBondContact OE2-NE2 2.98Å
586E97.2Very high93.4Very high91 Ų9137.2 Ų37.243%0.42519%0.192SC..  trans-70146.7166.4-172-176.7144.900109.8D588 K605 S606 R607E586-D588 PolarHBondContact O-N 3.09Å; E586-K605 WeakPolarHBondContact OE1-CD 3.33Å; E586-K605 IonicContact OE1-NZ 3.83Å; E586-K605 PolarHBondContact OE1-NZ 3.48Å; E586-S606 CarbonylContact C-O 3.51Å; E586-S606 VanDerWaalsContact CA-O 3.3Å; E586-S606 WeakPolarHBondContact CA-O 3.46Å; E586-R607 HydrophobicContact CB-CB 4.18Å; E586-R607 HydrophobicContact CG-CB 4.23Å
587S96.8Very high93.9Very high2 Ų237.1 Ų37.11%0.01419%0.189CC..  trans-48.7124.2171.3-61.50000111.3Q589 K605 S606 C732 T735S587-Q589 PolarHBondContact O-N 3.24Å; S587-K605 WeakPolarHBondContact O-CE 3.46Å; S587-K605 PolarHBondContact O-NZ 3Å; S587-S606 PolarHBondContact N-O 2.83Å; S587-S606 PolarHBondContact OG-N 3.19Å; S587-S606 PolarHBondContact OG-O 2.78Å; S587-S606 PolarHBondContact OG-OG 2.95Å; S587-C732 PolarHBondContact OG-O 3.28Å; S587-C732 VanDerWaalsContact OG-O 3.06Å; S587-T735 WeakPolarHBondContact CA-O 3.38Å; S587-T735 WeakPolarHBondContact CB-OG1 3.47Å; S587-T735 PolarHBondContact OG-OG1 3.24Å
588D95.3Very high94.3Very high124 Ų12444.4 Ų44.466%0.66322%0.221SC*.SBendtrans-62.7-23.8-177.866.9-5.1000113.6E586 T735E586-D588 PolarHBondContact O-N 3.09Å; D588-T735 PolarHBondContact N-O 3Å; D588-T735 VanDerWaalsContact N-O 3.12Å; D588-T735 VanDerWaalsContact OD1-CB 3.29Å; D588-T735 WeakPolarHBondContact OD1-CB 3.39Å
589Q94.6Very high94.8Very high79 Ų7949.2 Ų49.237%0.36924%0.243SC..SBendtrans-139164.1178.269.3-168.2-35.200112.5S587 C591 T735S587-Q589 PolarHBondContact O-N 3.24Å; Q589-C591 PolarHBondContact O-N 3.24Å; Q589-T735 HydrophobicContact CG-CG2 4.05Å
590M96.6Very high95Very high75 Ų7548.6 Ų48.637%0.36924%0.241SC..  trans-72.3118.1171.5-173.363.561.500109.7F603 K605 H705M590-F603 HydrophobicContact CG-CB 4.12Å; M590-F603 HydrophobicContact CG-CD1 4.02Å; M590-F603 HydrophobicContact SD-CB 3.99Å; M590-K605 HydrophobicContact CE-CD 4.15Å; M590-K605 HydrophobicContact CE-CG 4.17Å; M590-K605 HydrophobicContact SD-CG 4.04Å; M590-H705 HydrophobicContact CE-CB 3.8Å; M590-H705 VanDerWaalsContact CE-CG 3.49Å; M590-H705 HydrophobicContact SD-CB 3.84Å
591C96.9Very high95.2Very high0 Ų050 Ų500%025%0.246CC..EExtended strand (participates in β ladder)trans-84.5133.8178.6-67.40000110.6Q589 F603 M604 V728 A731 C732 T735 L855Q589-C591 PolarHBondContact O-N 3.24Å; C591-F603 VanDerWaalsContact O-CA 3.3Å; C591-F603 WeakPolarHBondContact O-CA 3.45Å; C591-M604 WeakPolarHBondContact CB-O 3.13Å; C591-M604 PolarHBondContact N-O 2.84Å; C591-M604 PolarHBondContact O-N 2.95Å; C591-V728 HydrophobicContact CB-CG2 3.94Å; C591-V728 WeakPolarHBondContact O-CG2 3.22Å; C591-A731 HydrophobicContact CB-CB 3.93Å; C591-A731 PolarHBondContact SG-O 3.36Å; C591-C732 VanDerWaalsContact CB-SG 3.58Å; C591-C732 PolarHBondContact SG-N 3.28Å; C591-T735 PolarHBondContact SG-OG1 2.9Å; C591-L855 HydrophobicContact CB-CD1 4.14Å
592L96.4Very high95.2Very high9 Ų950 Ų505%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-120.9135.6179.517361000110.2R601 L602 F603 D856 L858L592-R601 HydrophobicContact CD1-CB 3.61Å; L592-L602 WeakPolarHBondContact CA-O 3.34Å; L592-L602 WeakPolarHBondContact CD1-O 3.26Å; L592-F603 HydrophobicContact CB-CD1 4.21Å; L592-F603 HydrophobicContact CB-CE1 4.16Å; L592-F603 HydrophobicContact CD1-CD1 3.81Å; L592-F603 HydrophobicContact CD1-CD2 4.13Å; L592-F603 HydrophobicContact CD1-CE1 3.44Å; L592-F603 VanDerWaalsContact CD1-CE1 3.44Å; L592-F603 HydrophobicContact CD1-CE2 3.79Å; L592-F603 HydrophobicContact CD1-CG 4.15Å; L592-F603 HydrophobicContact CD1-CZ 3.43Å; L592-F603 VanDerWaalsContact CD1-CZ 3.43Å; L592-F603 HydrophobicContact CD2-CE1 3.92Å; L592-F603 HydrophobicContact CD2-CZ 4.19Å; L592-F603 HydrophobicContact CG-CD1 4.47Å; L592-F603 HydrophobicContact CG-CE1 4.04Å; L592-F603 HydrophobicContact CG-CZ 4.37Å; L592-D856 HydrophobicContact CG-CB 4.5Å; L592-D856 PolarHBondContact O-N 2.9Å; L592-L858 HydrophobicContact CD2-CB 4.43Å; L592-L858 HydrophobicContact CD2-CD2 3.87Å; L592-L858 HydrophobicContact CD2-CG 3.77Å
593S96.6Very high95.2Very high0 Ų051.2 Ų51.20%025%0.251CS..EExtended strand (participates in β ladder)trans-133145.7162.5-169.90000112R601 L602 T724 K727 D856S593-R601 VanDerWaalsContact O-CA 3.27Å; S593-R601 WeakPolarHBondContact O-CA 3.4Å; S593-L602 PolarHBondContact N-O 3.39Å; S593-L602 VanDerWaalsContact N-O 3.12Å; S593-L602 PolarHBondContact O-N 3.47Å; S593-T724 WeakPolarHBondContact O-CG2 3.46Å; S593-K727 WeakPolarHBondContact OG-CB 3.47Å; S593-D856 WeakPolarHBondContact CA-OD2 3.49Å; S593-D856 PolarHBondContact OG-OD2 2.9Å
594K95.6Very high95.3Very high47 Ų4751.1 Ų51.120%0.20425%0.25CC..EExtended strand (participates in β ladder)trans-105.1145.8179.2-63.2177.3172.6174.60110.9N600 R601 T724 D856 K857 L858K594-N600 CarbonylContact C-O 3.59Å; K594-N600 WeakPolarHBondContact CA-O 3.47Å; K594-R601 HydrophobicContact CG-CG 4.17Å; K594-T724 PolarHBondContact O-OG1 3.19Å; K594-D856 HydrophobicContact CD-CB 4.2Å; K594-D856 HydrophobicContact CG-CB 3.99Å; K594-D856 PolarHBondContact N-OD2 2.8Å; K594-K857 WeakPolarHBondContact CE-O 3.25Å; K594-K857 PolarHBondContact NZ-O 2.85Å; K594-L858 WeakPolarHBondContact CE-OXT 3.38Å; K594-L858 PolarHBondContact NZ-O 2.87Å; K594-L858 PolarHBondContact NZ-OXT 2.88Å
595S94.9Very high95.4Very high4 Ų450.6 Ų50.63%0.02824%0.243CC..  trans-66.6158.3170.650.90000112.7N597 K598 N600 T724S595-N597 WeakPolarHBondContact CB-OD1 3.29Å; S595-N597 PolarHBondContact O-N 3.01Å; S595-N597 PolarHBondContact OG-OD1 3.35Å; S595-K598 VanDerWaalsContact O-CA 3.3Å; S595-K598 WeakPolarHBondContact O-CA 3.44Å; S595-K598 PolarHBondContact O-N 3.4Å; S595-N600 PolarHBondContact N-O 2.84Å; S595-N600 WeakPolarHBondContact OG-CA 3.44Å; S595-N600 WeakPolarHBondContact OG-CB 3.42Å; S595-N600 PolarHBondContact OG-N 2.93Å; S595-N600 PolarHBondContact OG-ND2 2.78Å; S595-N600 PolarHBondContact OG-O 2.69Å; S595-T724 WeakPolarHBondContact CA-OG1 3.41Å; S595-T724 PolarHBondContact N-OG1 3.32Å
596P93.1Very high95.5Very high86 Ų8645.8 Ų45.856%0.55822%0.221SC*.THydrogen-bonded Turntrans-52.2-36.3173-2834.4000113.2K598P596-K598 VanDerWaalsContact C-N 3.25Å; P596-K598 PolarHBondContact O-N 2.8Å
597N91.8Very high95.4Very high38 Ų3844.8 Ų44.820%0.20321%0.213CC..THydrogen-bonded Turntrans-78.1-1.3173.671.211.4000114.7S595 H599 N600 H715S595-N597 WeakPolarHBondContact CB-OD1 3.29Å; S595-N597 PolarHBondContact O-N 3.01Å; S595-N597 PolarHBondContact OG-OD1 3.35Å; N597-H599 PolarHBondContact O-CD2 2.92Å; N597-H599 PolarHBondContact O-N 2.81Å; N597-H599 PolarHBondContact OD1-N 2.82Å; N597-H599 VanDerWaalsContact OD1-N 3.09Å; N597-N600 PolarHBondContact OD1-ND2 2.76Å; N597-H715 PolarHBondContact ND2-O 3.38Å
598K92.4Very high95.4Very high159 Ų15946.9 Ų46.969%0.69123%0.227SC*.SBendtrans61.16.2178.9-53.9-179.6-178.9179.30116.3S595 P596S595-K598 VanDerWaalsContact O-CA 3.3Å; S595-K598 WeakPolarHBondContact O-CA 3.44Å; S595-K598 PolarHBondContact O-N 3.4Å; P596-K598 VanDerWaalsContact C-N 3.25Å; P596-K598 PolarHBondContact O-N 2.8Å
599H91.3Very high95.4Very high103 Ų10341.8 Ų41.848%0.47720%0.199SC..SBendtrans-93.1-25.7-177.6-67.7-61.9000113.8N597 H710N597-H599 PolarHBondContact O-CD2 2.92Å; N597-H599 PolarHBondContact O-N 2.81Å; N597-H599 PolarHBondContact OD1-N 2.82Å; N597-H599 VanDerWaalsContact OD1-N 3.09Å; H599-H710 HydrophobicContact CB-CB 3.94Å; H599-H710 AromaticContact CD2-CD2 3.97Å; H599-H710 AromaticContact CG-CD2 3.58Å; H599-H710 AromaticContact ND1-CD2 3.9Å
600N94Very high95.3Very high0 Ų040.5 Ų40.50%020%0.197CC..  trans-102.8138.6177-46.7-72.1000109.4K594 S595 N597 T708 L709 H710 H715 I721K594-N600 CarbonylContact C-O 3.59Å; K594-N600 WeakPolarHBondContact CA-O 3.47Å; S595-N600 PolarHBondContact N-O 2.84Å; S595-N600 WeakPolarHBondContact OG-CA 3.44Å; S595-N600 WeakPolarHBondContact OG-CB 3.42Å; S595-N600 PolarHBondContact OG-N 2.93Å; S595-N600 PolarHBondContact OG-ND2 2.78Å; S595-N600 PolarHBondContact OG-O 2.69Å; N597-N600 PolarHBondContact OD1-ND2 2.76Å; N600-T708 CarbonylContact C-O 3.59Å; N600-T708 WeakPolarHBondContact CA-O 3.46Å; N600-L709 HydrophobicContact CB-CD2 4.24Å; N600-L709 WeakPolarHBondContact OD1-CA 2.84Å; N600-H710 PolarHBondContact OD1-N 3.09Å; N600-H715 PolarHBondContact ND2-O 3.43Å; N600-I721 HydrophobicContact CB-CD1 3.96Å
601R95.2Very high94.9Very high71 Ų7144.4 Ų44.427%0.26822%0.22SC..EExtended strand (participates in β ladder)trans-138.7132.5176.3-31.5171.9177.1-159.9-7.3110.3L592 S593 K594 F603 V707 T708 L858L592-R601 HydrophobicContact CD1-CB 3.61Å; S593-R601 VanDerWaalsContact O-CA 3.27Å; S593-R601 WeakPolarHBondContact O-CA 3.4Å; K594-R601 HydrophobicContact CG-CG 4.17Å; R601-F603 HydrophobicContact CB-CE2 4.11Å; R601-V707 WeakPolarHBondContact O-CA 3.3Å; R601-T708 WeakPolarHBondContact CB-OG1 3.45Å; R601-T708 WeakPolarHBondContact CD-OG1 3.43Å; R601-T708 WeakPolarHBondContact CG-OG1 3.48Å; R601-T708 PolarHBondContact N-O 3.48Å; R601-T708 PolarHBondContact N-OG1 3.24Å; R601-T708 PolarHBondContact O-N 2.88Å; R601-T708 PolarHBondContact O-OG1 2.91Å; R601-L858 PolarHBondContact NH1-OXT 2.89Å
602L96.4Very high94.6Very high0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-109132.5-179.8-62.2172.3000109.4L592 S593 I675 M679 V707 T724 A725 V728L592-L602 WeakPolarHBondContact CA-O 3.34Å; L592-L602 WeakPolarHBondContact CD1-O 3.26Å; S593-L602 PolarHBondContact N-O 3.39Å; S593-L602 VanDerWaalsContact N-O 3.12Å; S593-L602 PolarHBondContact O-N 3.47Å; L602-I675 HydrophobicContact CD2-CD1 4.49Å; L602-M679 HydrophobicContact CD1-CE 4.06Å; L602-M679 HydrophobicContact CD1-SD 3.53Å; L602-M679 VanDerWaalsContact CD1-SD 3.53Å; L602-M679 HydrophobicContact CD2-CE 4.16Å; L602-M679 HydrophobicContact CD2-SD 3.74Å; L602-M679 HydrophobicContact CG-SD 4.33Å; L602-V707 HydrophobicContact CD2-CB 4.27Å; L602-V707 HydrophobicContact CD2-CG1 3.58Å; L602-V707 HydrophobicContact CD2-CG2 3.75Å; L602-T724 HydrophobicContact CD1-CG2 3.84Å; L602-T724 HydrophobicContact CG-CG2 4.13Å; L602-A725 HydrophobicContact CD1-CB 3.98Å; L602-V728 HydrophobicContact CB-CG1 4.06Å; L602-V728 HydrophobicContact CD1-CG1 4.19Å
603F97.1Very high94.5Very high34 Ų3445.2 Ų45.215%0.14923%0.23CC..EExtended strand (participates in β ladder)trans-116.3119.5176-61.5-95.7000109.6M590 C591 L592 R601 H705 D706 L858M590-F603 HydrophobicContact CG-CB 4.12Å; M590-F603 HydrophobicContact CG-CD1 4.02Å; M590-F603 HydrophobicContact SD-CB 3.99Å; C591-F603 VanDerWaalsContact O-CA 3.3Å; C591-F603 WeakPolarHBondContact O-CA 3.45Å; L592-F603 HydrophobicContact CB-CD1 4.21Å; L592-F603 HydrophobicContact CB-CE1 4.16Å; L592-F603 HydrophobicContact CD1-CD1 3.81Å; L592-F603 HydrophobicContact CD1-CD2 4.13Å; L592-F603 HydrophobicContact CD1-CE1 3.44Å; L592-F603 VanDerWaalsContact CD1-CE1 3.44Å; L592-F603 HydrophobicContact CD1-CE2 3.79Å; L592-F603 HydrophobicContact CD1-CG 4.15Å; L592-F603 HydrophobicContact CD1-CZ 3.43Å; L592-F603 VanDerWaalsContact CD1-CZ 3.43Å; L592-F603 HydrophobicContact CD2-CE1 3.92Å; L592-F603 HydrophobicContact CD2-CZ 4.19Å; L592-F603 HydrophobicContact CG-CD1 4.47Å; L592-F603 HydrophobicContact CG-CE1 4.04Å; L592-F603 HydrophobicContact CG-CZ 4.37Å; R601-F603 HydrophobicContact CB-CE2 4.11Å; F603-H705 PolarHBondContact O-N 2.93Å; F603-D706 HydrophobicContact CB-CB 4.06Å; F603-D706 HydrophobicContact CD2-CB 3.92Å; F603-D706 HydrophobicContact CG-CB 4.25Å; F603-D706 PolarHBondContact N-O 3.4Å; F603-D706 PolarHBondContact O-N 3.13Å; F603-L858 HydrophobicContact CE1-CD2 4.22Å; F603-L858 HydrophobicContact CZ-CD2 3.95Å
604M97.4Very high94.3Very high0 Ų045.4 Ų45.40%023%0.232CC..EExtended strand (participates in β ladder)trans-141.2158.7-174.4-57.5-172.560.100112.5C591 L662 M679 F702 D703 I704 V728 L729 C732C591-M604 WeakPolarHBondContact CB-O 3.13Å; C591-M604 PolarHBondContact N-O 2.84Å; C591-M604 PolarHBondContact O-N 2.95Å; M604-L662 HydrophobicContact CE-CD1 3.55Å; M604-M679 HydrophobicContact SD-CE 4.05Å; M604-F702 HydrophobicContact CE-CB 3.89Å; M604-D703 VanDerWaalsContact CA-O 3.25Å; M604-D703 WeakPolarHBondContact CA-O 3.07Å; M604-D703 WeakPolarHBondContact CB-O 3.27Å; M604-I704 HydrophobicContact CE-CG1 3.77Å; M604-I704 HydrophobicContact SD-CG1 4.22Å; M604-V728 HydrophobicContact CB-CG2 3.93Å; M604-V728 HydrophobicContact CG-CG1 4.01Å; M604-V728 HydrophobicContact CG-CG2 4.1Å; M604-V728 HydrophobicContact SD-CG1 3.41Å; M604-V728 WeakPolarHBondContact SD-CG1 3.32Å; M604-L729 HydrophobicContact CE-CD2 3.61Å; M604-L729 HydrophobicContact CE-CG 4.49Å; M604-L729 HydrophobicContact SD-CD2 4.27Å; M604-C732 VanDerWaalsContact CB-SG 3.55Å; M604-C732 PolarHBondContact O-SG 2.9Å
605K98.1Very high94Very high39 Ų3946 Ų4617%0.1724%0.235CC..EExtended strand (participates in β ladder)trans-132.9156.5166.1-74.8-175.2146.4-157.70109.8E586 S587 M590 D703E586-K605 WeakPolarHBondContact OE1-CD 3.33Å; E586-K605 IonicContact OE1-NZ 3.83Å; E586-K605 PolarHBondContact OE1-NZ 3.48Å; S587-K605 WeakPolarHBondContact O-CE 3.46Å; S587-K605 PolarHBondContact O-NZ 3Å; M590-K605 HydrophobicContact CE-CD 4.15Å; M590-K605 HydrophobicContact CE-CG 4.17Å; M590-K605 HydrophobicContact SD-CG 4.04Å; K605-D703 PolarHBondContact N-O 3.36Å; K605-D703 VanDerWaalsContact N-O 3.16Å; K605-D703 PolarHBondContact O-N 2.7Å
606S96.9Very high93.8Very high0 Ų046.1 Ų46.10%024%0.236CC..EExtended strand (participates in β ladder)trans-118.3156.8167.456.40000111.9E586 S587 R701 C732 A736E586-S606 CarbonylContact C-O 3.51Å; E586-S606 VanDerWaalsContact CA-O 3.3Å; E586-S606 WeakPolarHBondContact CA-O 3.46Å; S587-S606 PolarHBondContact N-O 2.83Å; S587-S606 PolarHBondContact OG-N 3.19Å; S587-S606 PolarHBondContact OG-O 2.78Å; S587-S606 PolarHBondContact OG-OG 2.95Å; S606-R701 CarbonylContact C-O 3.56Å; S606-R701 WeakPolarHBondContact CA-O 3.46Å; S606-R701 WeakPolarHBondContact CB-O 3.45Å; S606-C732 WeakPolarHBondContact OG-CB 3.29Å; S606-C732 PolarHBondContact OG-O 2.86Å; S606-A736 VanDerWaalsContact OG-CB 3.3Å; S606-A736 WeakPolarHBondContact OG-CB 3.01Å
607R96Very high93.7Very high70 Ų7042.4 Ų42.426%0.26421%0.211SC..EExtended strand (participates in β ladder)trans-148.3156.6172.961.2-178.9120.2178.21.1110.5E586 R701 D703E586-R607 HydrophobicContact CB-CB 4.18Å; E586-R607 HydrophobicContact CG-CB 4.23Å; R607-R701 HydrophobicContact CG-CB 3.89Å; R607-R701 HydrophobicContact CG-CG 4.07Å; R607-R701 PolarHBondContact N-O 3.41Å; R607-R701 PolarHBondContact O-N 3.24Å; R607-D703 IonicContact CZ-OD2 3.71Å; R607-D703 IonicContact NE-OD2 2.99Å; R607-D703 PolarHBondContact NE-OD2 3.27Å; R607-D703 IonicContact NH2-OD1 3.87Å; R607-D703 IonicContact NH2-OD2 3.8Å; R607-D703 PolarHBondContact NH2-OD2 3.11Å
608P96.8Very high93.3Very high46 Ų4644 Ų4430%0.29922%0.217SC..EExtended strand (participates in β ladder)trans-64.5156.6174.827.9-37.5000111.5V583 E585V583-P608 HydrophobicContact CG2-CB 4.41Å; E585-P608 VanDerWaalsContact O-CD 3.31Å; E585-P608 WeakPolarHBondContact O-CD 3.31Å
609F94.4Very high92.7Very high17 Ų1742.8 Ų42.88%0.07521%0.212CC..PPolyproline II helixtrans-70.9154.9163.6-76.9-0.1000112.1L613 A614 I617 P659 L661 A699 I700 R701F609-L613 HydrophobicContact CB-CB 4.42Å; F609-L613 HydrophobicContact CB-CD2 4.37Å; F609-L613 HydrophobicContact CD1-CD2 4.31Å; F609-L613 HydrophobicContact CD2-CB 4.33Å; F609-L613 HydrophobicContact CD2-CD2 4.04Å; F609-L613 HydrophobicContact CD2-CG 4.03Å; F609-L613 HydrophobicContact CE2-CD2 4.44Å; F609-L613 HydrophobicContact CE2-CG 4.44Å; F609-L613 HydrophobicContact CG-CD2 4Å; F609-L613 HydrophobicContact CG-CG 4.42Å; F609-A614 HydrophobicContact CD2-CB 4.08Å; F609-I617 HydrophobicContact CD2-CD1 4.47Å; F609-I617 HydrophobicContact CE2-CD1 3.65Å; F609-I617 HydrophobicContact CZ-CD1 4.24Å; F609-P659 VanDerWaalsContact CE2-C 3.5Å; F609-P659 HydrophobicContact CE2-CB 4.23Å; F609-P659 WeakPolarHBondContact CE2-O 3.3Å; F609-P659 WeakPolarHBondContact CZ-O 3.35Å; F609-L661 HydrophobicContact CE1-CB 4.07Å; F609-L661 HydrophobicContact CE1-CD1 4.02Å; F609-L661 HydrophobicContact CE1-CG 4.05Å; F609-L661 HydrophobicContact CZ-CB 4.05Å; F609-L661 HydrophobicContact CZ-CD1 3.86Å; F609-L661 HydrophobicContact CZ-CG 3.64Å; F609-A699 HydrophobicContact CB-CB 4.2Å; F609-A699 HydrophobicContact CD2-CB 4.12Å; F609-A699 HydrophobicContact CG-CB 4.31Å; F609-A699 PolarHBondContact N-O 3.35Å; F609-I700 VanDerWaalsContact CE1-C 3.44Å; F609-I700 WeakPolarHBondContact CE1-O 3.21Å; F609-R701 HydrophobicContact CD1-CB 3.88Å; F609-R701 HydrophobicContact CE1-CB 3.73Å
610P92.5Very high92.3Very high52 Ų5238.9 Ų38.934%0.33820%0.199SC..PPolyproline II helixtrans-60.3149159.4-18.431.9000111.3L613 Y639P610-L613 WeakPolarHBondContact O-CB 3.4Å; P610-L613 PolarHBondContact O-N 2.93Å; P610-Y639 HydrophobicContact CB-CD1 4.15Å
611D88.9Confident91.9Very high158 Ų15842.7 Ų42.785%0.84522%0.217SC*.THydrogen-bonded Turntrans-55.9138.5175.2-64.9-21.5000111L613 Y639D611-L613 VanDerWaalsContact C-N 3.28Å; D611-L613 PolarHBondContact O-N 2.88Å; D611-Y639 WeakPolarHBondContact O-CE1 3.44Å
612G90.9Very high91.6Very high26 Ų2639.3 Ų39.327%0.26821%0.205SC..THydrogen-bonded Turntrans85.6-22.6-179.300000114.9E615 D616 Y639G612-E615 WeakPolarHBondContact CA-OE2 3.38Å; G612-E615 PolarHBondContact N-OE2 3.1Å; G612-E615 PolarHBondContact O-N 3.44Å; G612-D616 PolarHBondContact O-N 2.88Å; G612-Y639 VanDerWaalsContact C-OH 3.28Å; G612-Y639 PolarHBondContact O-OH 3.46Å
613L94Very high91.2Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-68.2-38.9-176.4176.859.3000112F609 P610 D611 E615 D616 I617 L635 Y639 W641F609-L613 HydrophobicContact CB-CB 4.42Å; F609-L613 HydrophobicContact CB-CD2 4.37Å; F609-L613 HydrophobicContact CD1-CD2 4.31Å; F609-L613 HydrophobicContact CD2-CB 4.33Å; F609-L613 HydrophobicContact CD2-CD2 4.04Å; F609-L613 HydrophobicContact CD2-CG 4.03Å; F609-L613 HydrophobicContact CE2-CD2 4.44Å; F609-L613 HydrophobicContact CE2-CG 4.44Å; F609-L613 HydrophobicContact CG-CD2 4Å; F609-L613 HydrophobicContact CG-CG 4.42Å; P610-L613 WeakPolarHBondContact O-CB 3.4Å; P610-L613 PolarHBondContact O-N 2.93Å; D611-L613 VanDerWaalsContact C-N 3.28Å; D611-L613 PolarHBondContact O-N 2.88Å; L613-E615 VanDerWaalsContact C-N 3.3Å; L613-E615 PolarHBondContact O-N 2.94Å; L613-D616 PolarHBondContact O-N 3.05Å; L613-I617 HydrophobicContact CD1-CD1 4.15Å; L613-I617 HydrophobicContact CD1-CG1 4.29Å; L613-I617 HydrophobicContact CG-CD1 4.06Å; L613-I617 VanDerWaalsContact O-CG1 3.3Å; L613-I617 WeakPolarHBondContact O-CG1 3.43Å; L613-I617 PolarHBondContact O-N 3.06Å; L613-L635 HydrophobicContact CD1-CD2 3.5Å; L613-L635 VanDerWaalsContact CD1-CD2 3.5Å; L613-Y639 HydrophobicContact CB-CD1 4.13Å; L613-Y639 HydrophobicContact CB-CE1 3.86Å; L613-Y639 HydrophobicContact CB-CE2 4.41Å; L613-Y639 HydrophobicContact CD1-CD2 3.92Å; L613-Y639 HydrophobicContact CD1-CE2 3.75Å; L613-Y639 HydrophobicContact CD1-CG 4.46Å; L613-W641 HydrophobicContact CD2-CZ2 3.69Å
614A92.4Very high90.6Very high3 Ų342.2 Ų42.23%0.02523%0.231CC..Hα-helixtrans-64.4-39.8177.500000111F609 I617 E618 P659 A699F609-A614 HydrophobicContact CD2-CB 4.08Å; A614-I617 PolarHBondContact O-N 2.64Å; A614-E618 WeakPolarHBondContact O-CB 3.25Å; A614-E618 WeakPolarHBondContact O-CG 3.35Å; A614-E618 PolarHBondContact O-N 3.28Å; A614-P659 HydrophobicContact CB-CB 3.84Å; A614-A699 HydrophobicContact CB-CB 4.02Å
615E89.7Confident89.8Confident61 Ų6151 Ų5129%0.28526%0.264SS..Hα-helixtrans-65.4-41.8176.9-65.262.9-128.900111.1G612 L613 E618 K619 R698G612-E615 WeakPolarHBondContact CA-OE2 3.38Å; G612-E615 PolarHBondContact N-OE2 3.1Å; G612-E615 PolarHBondContact O-N 3.44Å; L613-E615 VanDerWaalsContact C-N 3.3Å; L613-E615 PolarHBondContact O-N 2.94Å; E615-E618 CarbonylContact O-C 3.58Å; E615-E618 PolarHBondContact O-N 3.16Å; E615-K619 VanDerWaalsContact O-CB 3.26Å; E615-K619 WeakPolarHBondContact O-CB 3.46Å; E615-K619 WeakPolarHBondContact O-CG 3.42Å; E615-K619 PolarHBondContact O-N 3.08Å; E615-R698 IonicContact OE1-CZ 3.25Å; E615-R698 IonicContact OE1-NH1 3.96Å; E615-R698 PolarHBondContact OE1-NH1 2.93Å; E615-R698 IonicContact OE1-NH2 3.25Å; E615-R698 PolarHBondContact OE1-NH2 2.94Å
616D90.4Very high89.1Confident6 Ų652.2 Ų52.23%0.03227%0.27CS..Hα-helixtrans-62.6-42175.7-91.531.2000112.7G612 L613 K619 G620 E621 V622 Y634 K638 Y639G612-D616 PolarHBondContact O-N 2.88Å; L613-D616 PolarHBondContact O-N 3.05Å; D616-K619 PolarHBondContact O-N 3.16Å; D616-G620 PolarHBondContact O-N 3.46Å; D616-E621 HydrophobicContact CB-CB 4.15Å; D616-E621 PolarHBondContact O-N 3.08Å; D616-E621 VanDerWaalsContact OD2-OE2 3.09Å; D616-V622 HydrophobicContact CB-CG2 4.43Å; D616-V622 PolarHBondContact O-N 2.94Å; D616-Y634 WeakPolarHBondContact OD2-CE1 3.39Å; D616-Y634 PolarHBondContact OD2-OH 3.04Å; D616-K638 IonicContact OD1-NZ 3.29Å; D616-K638 PolarHBondContact OD1-NZ 3.5Å; D616-K638 IonicContact OD2-NZ 2.61Å; D616-K638 PolarHBondContact OD2-NZ 3.34Å; D616-Y639 WeakPolarHBondContact CB-OH 3.16Å; D616-Y639 PolarHBondContact OD1-OH 3.38Å; D616-Y639 PolarHBondContact OD2-OH 3.37Å
617I91.1Very high88.6Confident8 Ų858.2 Ų58.24%0.04130%0.298CS..Hα-helixtrans-63.7-47.8175.1-66.8166.1000109.7F609 L613 A614 K619 G620 V622 F652 P659F609-I617 HydrophobicContact CD2-CD1 4.47Å; F609-I617 HydrophobicContact CE2-CD1 3.65Å; F609-I617 HydrophobicContact CZ-CD1 4.24Å; L613-I617 HydrophobicContact CD1-CD1 4.15Å; L613-I617 HydrophobicContact CD1-CG1 4.29Å; L613-I617 HydrophobicContact CG-CD1 4.06Å; L613-I617 VanDerWaalsContact O-CG1 3.3Å; L613-I617 WeakPolarHBondContact O-CG1 3.43Å; L613-I617 PolarHBondContact O-N 3.06Å; A614-I617 PolarHBondContact O-N 2.64Å; I617-K619 VanDerWaalsContact C-N 3.3Å; I617-K619 PolarHBondContact O-N 3.15Å; I617-G620 WeakPolarHBondContact O-CA 3.29Å; I617-G620 PolarHBondContact O-N 3.21Å; I617-V622 HydrophobicContact CG1-CB 3.89Å; I617-V622 HydrophobicContact CG1-CG1 4.07Å; I617-F652 HydrophobicContact CD1-CD1 4.24Å; I617-F652 HydrophobicContact CD1-CE1 3.92Å; I617-F652 HydrophobicContact CG1-CD1 4.44Å; I617-F652 HydrophobicContact CG1-CE1 3.97Å; I617-F652 HydrophobicContact CG2-CD1 3.85Å; I617-F652 HydrophobicContact CG2-CE1 4.13Å; I617-P659 HydrophobicContact CB-CB 4.41Å; I617-P659 HydrophobicContact CG2-CB 4.35Å
618E84.4Confident88.3Confident70 Ų7059.2 Ų59.233%0.32731%0.308SS..Hα-helixtrans-66.6-27.6178-75.7176.8167.400112.9K498 A614 E615 P659 R698K498-E618 WeakPolarHBondContact CE-O 3.32Å; K498-E618 PolarHBondContact NZ-O 3.35Å; A614-E618 WeakPolarHBondContact O-CB 3.25Å; A614-E618 WeakPolarHBondContact O-CG 3.35Å; A614-E618 PolarHBondContact O-N 3.28Å; E615-E618 CarbonylContact O-C 3.58Å; E615-E618 PolarHBondContact O-N 3.16Å; E618-P659 HydrophobicContact CG-CB 4.39Å; E618-P659 HydrophobicContact CG-CG 4.17Å; E618-R698 VanDerWaalsContact CD-NH2 3.27Å; E618-R698 IonicContact OE1-CZ 2.78Å; E618-R698 IonicContact OE1-NE 3.37Å; E618-R698 PolarHBondContact OE1-NE 2.89Å; E618-R698 IonicContact OE1-NH2 3.47Å; E618-R698 PolarHBondContact OE1-NH2 3.33Å; E618-R698 IonicContact OE2-CZ 3.3Å; E618-R698 IonicContact OE2-NE 3.68Å; E618-R698 IonicContact OE2-NH2 3.54Å; E618-R698 PolarHBondContact OE2-NH2 3.22Å
619K79.6Confident88Confident135 Ų13562 Ų6259%0.58732%0.316SS*.Hα-helixtrans-79.1-20.4170.9-75.5170.7-175.8174.40112.5K498 E615 D616 I617 E621K498-K619 PolarHBondContact NZ-O 3.42Å; E615-K619 VanDerWaalsContact O-CB 3.26Å; E615-K619 WeakPolarHBondContact O-CB 3.46Å; E615-K619 WeakPolarHBondContact O-CG 3.42Å; E615-K619 PolarHBondContact O-N 3.08Å; D616-K619 PolarHBondContact O-N 3.16Å; I617-K619 VanDerWaalsContact C-N 3.3Å; I617-K619 PolarHBondContact O-N 3.15Å; K619-E621 HydrophobicContact CB-CG 4.34Å
620G82.4Confident87.8Confident21 Ų2163.6 Ų63.622%0.21633%0.332CS..THydrogen-bonded Turntrans86.817.9178.300000113.3D616 I617 T623D616-G620 PolarHBondContact O-N 3.46Å; I617-G620 WeakPolarHBondContact O-CA 3.29Å; I617-G620 PolarHBondContact O-N 3.21Å; G620-T623 WeakPolarHBondContact O-CG2 3.39Å
621E85.7Confident87.8Confident79 Ų7961.5 Ų61.537%0.36932%0.317SS..SBendtrans-68.1-31.2168.9-64.6179.4-156.600110.3D616 K619 Q626 Y634 K638D616-E621 HydrophobicContact CB-CB 4.15Å; D616-E621 PolarHBondContact O-N 3.08Å; D616-E621 VanDerWaalsContact OD2-OE2 3.09Å; K619-E621 HydrophobicContact CB-CG 4.34Å; E621-Q626 PolarHBondContact O-NE2 2.93Å; E621-Q626 PolarHBondContact O-OE1 3.5Å; E621-Y634 PolarHBondContact OE2-OH 2.97Å; E621-K638 IonicContact OE2-NZ 2.69Å; E621-K638 PolarHBondContact OE2-NZ 3.22Å; E621-K638 VanDerWaalsContact OE2-NZ 3.17Å
622V89.4Confident88Confident1 Ų154 Ų541%0.00628%0.277CS..SBendtrans-121.4118.7172.8-1800000109.1D616 I617 R631 Y634 L635 F652D616-V622 HydrophobicContact CB-CG2 4.43Å; D616-V622 PolarHBondContact O-N 2.94Å; I617-V622 HydrophobicContact CG1-CB 3.89Å; I617-V622 HydrophobicContact CG1-CG1 4.07Å; V622-R631 HydrophobicContact CG1-CG 3.96Å; V622-Y634 HydrophobicContact CG2-CD1 3.55Å; V622-Y634 HydrophobicContact CG2-CE1 3.48Å; V622-Y634 VanDerWaalsContact CG2-CE1 3.48Å; V622-L635 HydrophobicContact CG1-CD2 4.38Å; V622-L635 HydrophobicContact CG2-CD2 4.14Å; V622-F652 HydrophobicContact CG1-CE1 3.93Å; V622-F652 HydrophobicContact CG1-CZ 3.85Å
623T86.9Confident88.2Confident41 Ų4159.6 Ų59.625%0.25229%0.29SS..  trans-136.6161.4-179.368.90000113.7G620 R625 Q626 R631G620-T623 WeakPolarHBondContact O-CG2 3.39Å; T623-R625 PolarHBondContact O-N 3.5Å; T623-Q626 WeakPolarHBondContact OG1-CG 3.47Å; T623-R631 WeakPolarHBondContact O-CD 2.98Å; T623-R631 PolarHBondContact O-NH1 3.38Å
624A84.3Confident88.1Confident54 Ų5462.9 Ų62.945%0.44630%0.303SS..THydrogen-bonded Turntrans-61.5-27173.700000113.1F652A624-F652 HydrophobicContact CB-CD2 3.71Å; A624-F652 HydrophobicContact CB-CE2 4.2Å
625R80.6Confident88.2Confident183 Ų18362.8 Ų62.869%0.69130%0.302SS*.THydrogen-bonded Turntrans-85-16-173.3-62-176.8179.6-174.9-3.5114.3E374 T623E374-R625 IonicContact OE1-CZ 3.14Å; E374-R625 IonicContact OE1-NH1 3.16Å; E374-R625 PolarHBondContact OE1-NH1 3.21Å; E374-R625 IonicContact OE1-NH2 3.5Å; E374-R625 IonicContact OE2-CZ 3.14Å; E374-R625 IonicContact OE2-NH1 3.02Å; E374-R625 PolarHBondContact OE2-NH1 3.17Å; E374-R625 IonicContact OE2-NH2 2.72Å; T623-R625 PolarHBondContact O-N 3.5Å
626Q83Confident88.4Confident65 Ų6561.1 Ų61.130%0.30430%0.298SS..SBendtrans-67.9154.4178.8-77166.4-20.700112.4E621 T623 L628 R631E621-Q626 PolarHBondContact O-NE2 2.93Å; E621-Q626 PolarHBondContact O-OE1 3.5Å; T623-Q626 WeakPolarHBondContact OG1-CG 3.47Å; Q626-L628 PolarHBondContact O-N 3.02Å; Q626-R631 HydrophobicContact CB-CB 4.41Å
627E87.3Confident88.6Confident127 Ų12768.2 Ų68.259%0.59333%0.331SS*.  trans-59.2131.4171.1-165.2-161.2157.100110.4K629 A630 R631E627-K629 PolarHBondContact O-N 3.11Å; E627-K629 VanDerWaalsContact O-N 3.12Å; E627-A630 HydrophobicContact CB-CB 4.34Å; E627-A630 PolarHBondContact O-N 2.84Å; E627-A630 VanDerWaalsContact O-N 3.12Å; E627-R631 PolarHBondContact O-N 3.35Å
628L89.8Confident88.7Confident90 Ų9072.5 Ų72.547%0.47135%0.35SS..Hα-helixtrans-53.8-37.5-176-60.7178000113.2Q626 A632Q626-L628 PolarHBondContact O-N 3.02Å; L628-A632 WeakPolarHBondContact O-CB 3.28Å; L628-A632 PolarHBondContact O-N 2.79Å
629K90.1Very high89.2Confident106 Ų10670.4 Ų70.446%0.46134%0.339SS..Hα-helixtrans-71.6-42.9-179.3-69.3179.2-175.8168.60112.3E627 A632 R633E627-K629 PolarHBondContact O-N 3.11Å; E627-K629 VanDerWaalsContact O-N 3.12Å; K629-A632 PolarHBondContact O-N 3.24Å; K629-R633 WeakPolarHBondContact O-CG 3.16Å; K629-R633 PolarHBondContact O-N 2.86Å; K629-R633 VanDerWaalsContact O-N 3.08Å
630A90.3Very high89.7Confident49 Ų4972.6 Ų72.641%0.40535%0.351SS..Hα-helixtrans-64.3-47.8178.500000110.4E627 A632 R633 Y634E627-A630 HydrophobicContact CB-CB 4.34Å; E627-A630 PolarHBondContact O-N 2.84Å; E627-A630 VanDerWaalsContact O-N 3.12Å; A630-A632 VanDerWaalsContact C-N 3.32Å; A630-A632 PolarHBondContact O-N 2.67Å; A630-R633 PolarHBondContact O-N 3.41Å; A630-Y634 PolarHBondContact O-N 3.05Å
631R93.7Very high90.2Very high8 Ų872.6 Ų72.63%0.0335%0.345CS..Hα-helixtrans-58-44175.4-172.417370.5-147.12.1112.3V622 T623 Q626 E627 R633 Y634 L635V622-R631 HydrophobicContact CG1-CG 3.96Å; T623-R631 WeakPolarHBondContact O-CD 2.98Å; T623-R631 PolarHBondContact O-NH1 3.38Å; Q626-R631 HydrophobicContact CB-CB 4.41Å; E627-R631 PolarHBondContact O-N 3.35Å; R631-R633 PolarHBondContact O-N 3.39Å; R631-Y634 PolarHBondContact O-N 3.24Å; R631-L635 HydrophobicContact CG-CD1 4.19Å; R631-L635 WeakPolarHBondContact O-CG 3.33Å; R631-L635 PolarHBondContact O-N 3.39Å
632A92.9Very high90.5Very high0 Ų073.8 Ų73.80%035%0.35CS..Hα-helixtrans-66.2-35.2179.900000113.6L628 K629 A630 A636 V643 A646 R647L628-A632 WeakPolarHBondContact O-CB 3.28Å; L628-A632 PolarHBondContact O-N 2.79Å; K629-A632 PolarHBondContact O-N 3.24Å; A630-A632 VanDerWaalsContact C-N 3.32Å; A630-A632 PolarHBondContact O-N 2.67Å; A632-A636 WeakPolarHBondContact O-CB 3.41Å; A632-A636 PolarHBondContact O-N 3.3Å; A632-A636 VanDerWaalsContact O-N 3.12Å; A632-V643 HydrophobicContact CB-CG1 4.25Å; A632-A646 HydrophobicContact CB-CB 3.72Å; A632-R647 HydrophobicContact CB-CG 3.63Å
633R93.4Very high90.6Very high145 Ų14576.2 Ų76.255%0.54737%0.365SS..Hα-helixtrans-66.7-46.4173.9-72.2179-165.6161.93.1111.4K629 A630 R631 L635 A636 E637K629-R633 WeakPolarHBondContact O-CG 3.16Å; K629-R633 PolarHBondContact O-N 2.86Å; K629-R633 VanDerWaalsContact O-N 3.08Å; A630-R633 PolarHBondContact O-N 3.41Å; R631-R633 PolarHBondContact O-N 3.39Å; R633-L635 VanDerWaalsContact C-N 3.35Å; R633-L635 PolarHBondContact O-N 2.96Å; R633-A636 PolarHBondContact O-N 3.47Å; R633-A636 VanDerWaalsContact O-N 3.12Å; R633-E637 WeakPolarHBondContact O-CB 3.28Å; R633-E637 WeakPolarHBondContact O-CG 3.35Å; R633-E637 PolarHBondContact O-N 2.78Å
634Y93.3Very high90.7Very high69 Ų6978 Ų7827%0.27138%0.376SS..Hα-helixtrans-56.8-48178.4-176.7-95.4000112.2D616 E621 V622 A630 R631 A636 E637 K638 Y639D616-Y634 WeakPolarHBondContact OD2-CE1 3.39Å; D616-Y634 PolarHBondContact OD2-OH 3.04Å; E621-Y634 PolarHBondContact OE2-OH 2.97Å; V622-Y634 HydrophobicContact CG2-CD1 3.55Å; V622-Y634 HydrophobicContact CG2-CE1 3.48Å; V622-Y634 VanDerWaalsContact CG2-CE1 3.48Å; A630-Y634 PolarHBondContact O-N 3.05Å; R631-Y634 PolarHBondContact O-N 3.24Å; Y634-A636 VanDerWaalsContact C-N 3.31Å; Y634-A636 PolarHBondContact O-N 2.85Å; Y634-E637 PolarHBondContact O-N 3.47Å; Y634-K638 HydrophobicContact CE1-CD 3.91Å; Y634-K638 HydrophobicContact CE2-CD 4.1Å; Y634-K638 VanDerWaalsContact CZ-CD 3.45Å; Y634-K638 WeakPolarHBondContact O-CB 3.43Å; Y634-K638 PolarHBondContact O-N 2.99Å; Y634-K638 WeakPolarHBondContact OH-CD 3.29Å; Y634-K638 PolarHBondContact OH-NZ 2.87Å; Y634-Y639 AromaticContact CE1-CE2 4Å; Y634-Y639 HydrophobicContact CE1-CE2 4Å
635L94.1Very high91.1Very high1 Ų177.2 Ų77.21%0.00536%0.363CS..Hα-helixtrans-63.5-36.8177.2-68.2174.5000112.3L613 V622 R631 R633 Y639 E640 W641 A646 I649L613-L635 HydrophobicContact CD1-CD2 3.5Å; L613-L635 VanDerWaalsContact CD1-CD2 3.5Å; V622-L635 HydrophobicContact CG1-CD2 4.38Å; V622-L635 HydrophobicContact CG2-CD2 4.14Å; R631-L635 HydrophobicContact CG-CD1 4.19Å; R631-L635 WeakPolarHBondContact O-CG 3.33Å; R631-L635 PolarHBondContact O-N 3.39Å; R633-L635 VanDerWaalsContact C-N 3.35Å; R633-L635 PolarHBondContact O-N 2.96Å; L635-Y639 HydrophobicContact CD2-CD2 4Å; L635-Y639 CarbonylContact O-C 3.6Å; L635-Y639 WeakPolarHBondContact O-CA 3.42Å; L635-Y639 WeakPolarHBondContact O-CB 3.43Å; L635-Y639 PolarHBondContact O-N 3.13Å; L635-Y639 VanDerWaalsContact O-N 3.09Å; L635-E640 PolarHBondContact O-N 3.29Å; L635-W641 HydrophobicContact CB-CB 3.92Å; L635-W641 HydrophobicContact CB-CD2 4.33Å; L635-W641 HydrophobicContact CB-CG 4.06Å; L635-W641 HydrophobicContact CD1-CD2 4.45Å; L635-W641 HydrophobicContact CD1-CE3 4.04Å; L635-W641 HydrophobicContact CD1-CZ3 4.35Å; L635-W641 WeakPolarHBondContact O-CB 3.42Å; L635-W641 PolarHBondContact O-N 3.31Å; L635-W641 VanDerWaalsContact O-N 3.13Å; L635-A646 HydrophobicContact CB-CB 4.34Å; L635-A646 HydrophobicContact CD1-CB 4.05Å; L635-I649 HydrophobicContact CD1-CD1 3.71Å
636A93.6Very high91.6Very high25 Ų2568.5 Ų68.521%0.20733%0.33CS..Hα-helixtrans-70.4-40.5177.800000113A632 R633 Y634 E640 W641 V643A632-A636 WeakPolarHBondContact O-CB 3.41Å; A632-A636 PolarHBondContact O-N 3.3Å; A632-A636 VanDerWaalsContact O-N 3.12Å; R633-A636 PolarHBondContact O-N 3.47Å; R633-A636 VanDerWaalsContact O-N 3.12Å; Y634-A636 VanDerWaalsContact C-N 3.31Å; Y634-A636 PolarHBondContact O-N 2.85Å; A636-E640 VanDerWaalsContact O-CA 3.31Å; A636-E640 WeakPolarHBondContact O-CA 3.14Å; A636-E640 PolarHBondContact O-N 2.88Å; A636-W641 VanDerWaalsContact CA-O 3.27Å; A636-W641 WeakPolarHBondContact CA-O 3.37Å; A636-W641 VanDerWaalsContact CB-O 3.22Å; A636-W641 WeakPolarHBondContact CB-O 3.36Å; A636-V643 HydrophobicContact CB-CG2 3.5Å
637E93.8Very high92.1Very high156 Ų15670.9 Ų70.973%0.72934%0.336SS*.Hα-helixtrans-77.5-42-177.2-71.1169.5-166.300112.6R633 Y634R633-E637 WeakPolarHBondContact O-CB 3.28Å; R633-E637 WeakPolarHBondContact O-CG 3.35Å; R633-E637 PolarHBondContact O-N 2.78Å; Y634-E637 PolarHBondContact O-N 3.47Å
638K94.6Very high92.4Very high98 Ų9868.6 Ų68.643%0.42632%0.324SS..Hα-helixtrans-89.5-33.8-175.6-169.4175.7-177.5-172.50113.6D616 E621 Y634D616-K638 IonicContact OD1-NZ 3.29Å; D616-K638 PolarHBondContact OD1-NZ 3.5Å; D616-K638 IonicContact OD2-NZ 2.61Å; D616-K638 PolarHBondContact OD2-NZ 3.34Å; E621-K638 IonicContact OE2-NZ 2.69Å; E621-K638 PolarHBondContact OE2-NZ 3.22Å; E621-K638 VanDerWaalsContact OE2-NZ 3.17Å; Y634-K638 HydrophobicContact CE1-CD 3.91Å; Y634-K638 HydrophobicContact CE2-CD 4.1Å; Y634-K638 VanDerWaalsContact CZ-CD 3.45Å; Y634-K638 WeakPolarHBondContact O-CB 3.43Å; Y634-K638 PolarHBondContact O-N 2.99Å; Y634-K638 WeakPolarHBondContact OH-CD 3.29Å; Y634-K638 PolarHBondContact OH-NZ 2.87Å
639Y93.7Very high92.7Very high26 Ų2664.7 Ų64.710%0.10230%0.304CS..Hα-helixtrans-121.88.7-171.8-62.2-73.7000113.7P610 D611 G612 L613 D616 Y634 L635 W641P610-Y639 HydrophobicContact CB-CD1 4.15Å; D611-Y639 WeakPolarHBondContact O-CE1 3.44Å; G612-Y639 VanDerWaalsContact C-OH 3.28Å; G612-Y639 PolarHBondContact O-OH 3.46Å; L613-Y639 HydrophobicContact CB-CD1 4.13Å; L613-Y639 HydrophobicContact CB-CE1 3.86Å; L613-Y639 HydrophobicContact CB-CE2 4.41Å; L613-Y639 HydrophobicContact CD1-CD2 3.92Å; L613-Y639 HydrophobicContact CD1-CE2 3.75Å; L613-Y639 HydrophobicContact CD1-CG 4.46Å; D616-Y639 WeakPolarHBondContact CB-OH 3.16Å; D616-Y639 PolarHBondContact OD1-OH 3.38Å; D616-Y639 PolarHBondContact OD2-OH 3.37Å; Y634-Y639 AromaticContact CE1-CE2 4Å; Y634-Y639 HydrophobicContact CE1-CE2 4Å; L635-Y639 HydrophobicContact CD2-CD2 4Å; L635-Y639 CarbonylContact O-C 3.6Å; L635-Y639 WeakPolarHBondContact O-CA 3.42Å; L635-Y639 WeakPolarHBondContact O-CB 3.43Å; L635-Y639 PolarHBondContact O-N 3.13Å; L635-Y639 VanDerWaalsContact O-N 3.09Å; Y639-W641 PolarHBondContact O-N 3.38Å
640E91.9Very high92.9Very high181 Ų18161.2 Ų61.285%0.84629%0.288SS*.  trans58.428.8178.9-54.1-175.8169.900114L635 A636L635-E640 PolarHBondContact O-N 3.29Å; A636-E640 VanDerWaalsContact O-CA 3.31Å; A636-E640 WeakPolarHBondContact O-CA 3.14Å; A636-E640 PolarHBondContact O-N 2.88Å
641W91.4Very high93.1Very high20 Ų2059.6 Ų59.68%0.07627%0.274CS..  trans-71.8149176.6-82.641.2000112.8L613 L635 A636 Y639 V643 A646 I649 L661 I663L613-W641 HydrophobicContact CD2-CZ2 3.69Å; L635-W641 HydrophobicContact CB-CB 3.92Å; L635-W641 HydrophobicContact CB-CD2 4.33Å; L635-W641 HydrophobicContact CB-CG 4.06Å; L635-W641 HydrophobicContact CD1-CD2 4.45Å; L635-W641 HydrophobicContact CD1-CE3 4.04Å; L635-W641 HydrophobicContact CD1-CZ3 4.35Å; L635-W641 WeakPolarHBondContact O-CB 3.42Å; L635-W641 PolarHBondContact O-N 3.31Å; L635-W641 VanDerWaalsContact O-N 3.13Å; A636-W641 VanDerWaalsContact CA-O 3.27Å; A636-W641 WeakPolarHBondContact CA-O 3.37Å; A636-W641 VanDerWaalsContact CB-O 3.22Å; A636-W641 WeakPolarHBondContact CB-O 3.36Å; Y639-W641 PolarHBondContact O-N 3.38Å; W641-V643 PolarHBondContact O-N 3.49Å; W641-A646 HydrophobicContact CE3-CB 4.09Å; W641-I649 HydrophobicContact CZ3-CD1 3.97Å; W641-I649 HydrophobicContact CZ3-CG1 4.3Å; W641-L661 HydrophobicContact CH2-CD1 3.42Å; W641-L661 VanDerWaalsContact CH2-CD1 3.42Å; W641-L661 HydrophobicContact CZ2-CD1 4.14Å; W641-L661 HydrophobicContact CZ3-CD1 4.13Å; W641-I663 HydrophobicContact CH2-CD1 3.59Å; W641-I663 HydrophobicContact CZ3-CD1 3.5Å; W641-I663 VanDerWaalsContact CZ3-CD1 3.5Å
642E91.9Very high93.2Very high104 Ų10459.4 Ų59.449%0.48627%0.273SS..  trans-68.6124168-164-169.5157.700110.3T644 E645 A646E642-T644 PolarHBondContact O-N 3.4Å; E642-T644 VanDerWaalsContact O-N 3.13Å; E642-T644 WeakPolarHBondContact OE1-CG2 3.5Å; E642-T644 PolarHBondContact OE1-OG1 3.45Å; E642-E645 HydrophobicContact CB-CB 4.31Å; E642-E645 HydrophobicContact CB-CG 4.05Å; E642-E645 PolarHBondContact O-N 2.88Å; E642-E645 VanDerWaalsContact O-N 3.16Å; E642-A646 WeakPolarHBondContact O-CB 3.3Å; E642-A646 PolarHBondContact O-N 2.91Å
643V91.9Very high93.1Very high53 Ų5359.4 Ų59.432%0.32127%0.273SS..Hα-helixtrans-57.3-32.1-179.2178.10000112A632 A636 W641 R647A632-V643 HydrophobicContact CB-CG1 4.25Å; A636-V643 HydrophobicContact CB-CG2 3.5Å; W641-V643 PolarHBondContact O-N 3.49Å; V643-R647 VanDerWaalsContact O-CG 3.32Å; V643-R647 WeakPolarHBondContact O-CG 3.25Å; V643-R647 PolarHBondContact O-N 2.85Å
644T89.9Confident93Very high78 Ų7853 Ų5348%0.47925%0.25SS..Hα-helixtrans-71.5-43.2-179.777.30000111.4E642 R647E642-T644 PolarHBondContact O-N 3.4Å; E642-T644 VanDerWaalsContact O-N 3.13Å; E642-T644 WeakPolarHBondContact OE1-CG2 3.5Å; E642-T644 PolarHBondContact OE1-OG1 3.45Å; T644-R647 PolarHBondContact O-N 2.87Å
645E91Very high92.6Very high38 Ų3854.8 Ų54.818%0.17827%0.265CS..Hα-helixtrans-66.2-43.9175.7-64.3-169.7149.800111.4E642 R647 K648 I649 I665 R701E642-E645 HydrophobicContact CB-CB 4.31Å; E642-E645 HydrophobicContact CB-CG 4.05Å; E642-E645 PolarHBondContact O-N 2.88Å; E642-E645 VanDerWaalsContact O-N 3.16Å; E645-R647 PolarHBondContact O-N 3.32Å; E645-R647 VanDerWaalsContact O-N 3.15Å; E645-K648 CarbonylContact O-C 3.55Å; E645-K648 WeakPolarHBondContact O-CA 3.49Å; E645-K648 PolarHBondContact O-N 3.37Å; E645-I649 PolarHBondContact O-N 2.98Å; E645-I665 HydrophobicContact CG-CG2 4.45Å; E645-R701 VanDerWaalsContact CD-NH2 3.29Å; E645-R701 IonicContact OE1-NH2 3.02Å; E645-R701 IonicContact OE2-CZ 2.84Å; E645-R701 IonicContact OE2-NH1 3.46Å; E645-R701 PolarHBondContact OE2-NH1 3.37Å; E645-R701 VanDerWaalsContact OE2-NH1 3.08Å; E645-R701 IonicContact OE2-NH2 3.48Å; E645-R701 PolarHBondContact OE2-NH2 2.74Å
646A92.6Very high92.1Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-60.2-28.8-179.700000113A632 L635 W641 E642 K648 I649A632-A646 HydrophobicContact CB-CB 3.72Å; L635-A646 HydrophobicContact CB-CB 4.34Å; L635-A646 HydrophobicContact CD1-CB 4.05Å; W641-A646 HydrophobicContact CE3-CB 4.09Å; E642-A646 WeakPolarHBondContact O-CB 3.3Å; E642-A646 PolarHBondContact O-N 2.91Å; A646-K648 VanDerWaalsContact C-N 3.34Å; A646-I649 WeakPolarHBondContact O-CD1 3.25Å; A646-I649 WeakPolarHBondContact O-CG1 3.47Å
647R92.7Very high91.7Very high114 Ų11459.9 Ų59.943%0.4330%0.298SS..Hα-helixtrans-75.8-21.1173.4-71.8176-175.3-175.75.7113.5A632 V643 T644 E645A632-R647 HydrophobicContact CB-CG 3.63Å; V643-R647 VanDerWaalsContact O-CG 3.32Å; V643-R647 WeakPolarHBondContact O-CG 3.25Å; V643-R647 PolarHBondContact O-N 2.85Å; T644-R647 PolarHBondContact O-N 2.87Å; E645-R647 PolarHBondContact O-N 3.32Å; E645-R647 VanDerWaalsContact O-N 3.15Å
648K94.1Very high91.5Very high79 Ų7952.9 Ų52.934%0.34327%0.268SS..THydrogen-bonded Turntrans-95.411.2-179.3-65.6-172.1-179-172.30113.7E645 A646 W650 I663 D664E645-K648 CarbonylContact O-C 3.55Å; E645-K648 WeakPolarHBondContact O-CA 3.49Å; E645-K648 PolarHBondContact O-N 3.37Å; A646-K648 VanDerWaalsContact C-N 3.34Å; K648-W650 VanDerWaalsContact O-CD1 3.24Å; K648-W650 PolarHBondContact O-N 3.19Å; K648-I663 HydrophobicContact CB-CG2 4.45Å; K648-D664 HydrophobicContact CB-CB 4.43Å; K648-D664 VanDerWaalsContact CB-O 3.29Å; K648-D664 WeakPolarHBondContact CB-O 3.49Å; K648-D664 WeakPolarHBondContact CD-O 3.45Å; K648-D664 PolarHBondContact O-N 3.23Å
649I95.1Very high91.5Very high9 Ų948.7 Ų48.75%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-59.8119.3166.8-64.9169.3000109L635 W641 E645 A646 F652 L661 I663L635-I649 HydrophobicContact CD1-CD1 3.71Å; W641-I649 HydrophobicContact CZ3-CD1 3.97Å; W641-I649 HydrophobicContact CZ3-CG1 4.3Å; E645-I649 PolarHBondContact O-N 2.98Å; A646-I649 WeakPolarHBondContact O-CD1 3.25Å; A646-I649 WeakPolarHBondContact O-CG1 3.47Å; I649-F652 HydrophobicContact CG2-CD2 4.5Å; I649-F652 HydrophobicContact CG2-CE2 3.99Å; I649-F652 HydrophobicContact CG2-CZ 4.44Å; I649-L661 HydrophobicContact CD1-CD1 4.21Å; I649-L661 HydrophobicContact CD1-CD2 4.41Å; I649-L661 HydrophobicContact CG2-CD2 3.64Å; I649-I663 HydrophobicContact CG1-CD1 4.23Å; I649-I663 HydrophobicContact CG1-CG1 4.09Å
650W94.5Very high91.7Very high33 Ų3347.5 Ų47.513%0.12525%0.246CC..EExtended strand (participates in β ladder)trans-83-48.3179.2-78.912.2000112.3K648 L662 D664 L672 K676 M679 I704K648-W650 VanDerWaalsContact O-CD1 3.24Å; K648-W650 PolarHBondContact O-N 3.19Å; W650-L662 HydrophobicContact CE3-CD2 3.83Å; W650-L662 HydrophobicContact CE3-CG 4.41Å; W650-L662 PolarHBondContact N-O 3.17Å; W650-D664 HydrophobicContact CD2-CB 4.45Å; W650-D664 HydrophobicContact CZ2-CB 3.75Å; W650-D664 VanDerWaalsContact NE1-CB 3.25Å; W650-L672 HydrophobicContact CH2-CD1 3.88Å; W650-L672 HydrophobicContact CH2-CD2 4.3Å; W650-L672 HydrophobicContact CH2-CG 3.84Å; W650-L672 HydrophobicContact CZ2-CD1 4.31Å; W650-L672 HydrophobicContact CZ2-CD2 3.87Å; W650-L672 HydrophobicContact CZ2-CG 3.84Å; W650-K676 HydrophobicContact CD2-CD 4.39Å; W650-K676 HydrophobicContact CD2-CG 4Å; W650-K676 HydrophobicContact CE3-CG 3.92Å; W650-K676 HydrophobicContact CH2-CG 4.47Å; W650-K676 HydrophobicContact CZ3-CB 4.44Å; W650-K676 HydrophobicContact CZ3-CG 4.18Å; W650-M679 HydrophobicContact CE3-CB 4.23Å; W650-M679 HydrophobicContact CZ3-CB 3.67Å; W650-M679 HydrophobicContact CZ3-CG 3.96Å; W650-I704 HydrophobicContact CD2-CD1 4.41Å; W650-I704 HydrophobicContact CE3-CD1 3.84Å; W650-I704 HydrophobicContact CH2-CD1 3.76Å; W650-I704 HydrophobicContact CZ2-CD1 4.34Å; W650-I704 HydrophobicContact CZ3-CD1 3.47Å; W650-I704 VanDerWaalsContact CZ3-CD1 3.47Å
651C94.5Very high91.9Very high15 Ų1538.9 Ų38.910%0.10121%0.206CC..EExtended strand (participates in β ladder)trans-159.3163.2-178.459.20000112.1L662 V680 F683C651-L662 PolarHBondContact O-N 3.23Å; C651-V680 HydrophobicContact CB-CG1 4.11Å; C651-V680 HydrophobicContact CB-CG2 4.29Å; C651-F683 WeakPolarHBondContact SG-CD1 3.23Å
652F95.8Very high92.2Very high3 Ų338 Ų381%0.01320%0.203CC..EExtended strand (participates in β ladder)trans-101.3147.6170.3-67.8-105.2000108.6I617 V622 A624 I649 G656 N660 L661 Q684I617-F652 HydrophobicContact CD1-CD1 4.24Å; I617-F652 HydrophobicContact CD1-CE1 3.92Å; I617-F652 HydrophobicContact CG1-CD1 4.44Å; I617-F652 HydrophobicContact CG1-CE1 3.97Å; I617-F652 HydrophobicContact CG2-CD1 3.85Å; I617-F652 HydrophobicContact CG2-CE1 4.13Å; V622-F652 HydrophobicContact CG1-CE1 3.93Å; V622-F652 HydrophobicContact CG1-CZ 3.85Å; A624-F652 HydrophobicContact CB-CD2 3.71Å; A624-F652 HydrophobicContact CB-CE2 4.2Å; I649-F652 HydrophobicContact CG2-CD2 4.5Å; I649-F652 HydrophobicContact CG2-CE2 3.99Å; I649-F652 HydrophobicContact CG2-CZ 4.44Å; F652-G656 WeakPolarHBondContact CB-O 3.38Å; F652-G656 WeakPolarHBondContact O-CA 3.4Å; F652-G656 PolarHBondContact O-N 2.96Å; F652-N660 CarbonylContact C-O 3.58Å; F652-N660 VanDerWaalsContact CA-O 3.24Å; F652-N660 WeakPolarHBondContact CA-O 3.35Å; F652-L661 HydrophobicContact CD1-CD2 3.49Å; F652-L661 VanDerWaalsContact CD1-CD2 3.49Å; F652-L661 HydrophobicContact CD2-CD2 4.13Å; F652-L661 HydrophobicContact CE1-CD2 3.4Å; F652-L661 VanDerWaalsContact CE1-CD2 3.4Å; F652-L661 HydrophobicContact CE1-CG 4.43Å; F652-L661 HydrophobicContact CE2-CD2 4.03Å; F652-L661 HydrophobicContact CG-CD2 3.86Å; F652-L661 HydrophobicContact CZ-CD2 3.67Å; F652-Q684 PolarHBondContact O-NE2 3.15Å; F652-Q684 PolarHBondContact O-OE1 2.84Å
653G92.3Very high92.4Very high0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-147.3156.1-177.500000113.2G658 N660G653-G658 PolarHBondContact N-O 3.4Å; G653-G658 CarbonylContact O-C 3.42Å; G653-G658 WeakPolarHBondContact O-CA 3.37Å; G653-G658 VanDerWaalsContact O-O 3.07Å; G653-N660 PolarHBondContact N-O 2.97Å; G653-N660 VanDerWaalsContact O-CB 3.27Å; G653-N660 WeakPolarHBondContact O-CB 3.49Å; G653-N660 PolarHBondContact O-N 3.3Å; G653-N660 VanDerWaalsContact O-N 3.1Å; G653-N660 PolarHBondContact O-ND2 2.9Å
654P90.7Very high92.6Very high11 Ų1131.5 Ų31.57%0.07117%0.169CC..THydrogen-bonded Turncis-73.6173-7.731-35.3000112.9G656 T657 G658 Q684 K688 N696P654-G656 PolarHBondContact O-N 3.42Å; P654-T657 PolarHBondContact O-N 2.78Å; P654-G658 PolarHBondContact O-N 3.16Å; P654-Q684 VanDerWaalsContact C-OE1 3.28Å; P654-K688 HydrophobicContact CB-CB 4.02Å; P654-N696 HydrophobicContact CG-CB 4.43Å
655D84Confident92.7Very high107 Ų10729.3 Ų29.357%0.57216%0.155SC*.THydrogen-bonded Turntrans52.924.5175.6-54.3-45.7000115.5T657 K688D655-T657 PolarHBondContact O-N 2.81Å; D655-K688 IonicContact OD1-NZ 2.67Å; D655-K688 PolarHBondContact OD1-NZ 3.44Å; D655-K688 IonicContact OD2-NZ 3Å
656G85.1Confident92.8Very high25 Ų2528 Ų2826%0.25815%0.149SC..THydrogen-bonded Turntrans76.8-3.5176.700000115.9F652 P654 Q684F652-G656 WeakPolarHBondContact CB-O 3.38Å; F652-G656 WeakPolarHBondContact O-CA 3.4Å; F652-G656 PolarHBondContact O-N 2.96Å; P654-G656 PolarHBondContact O-N 3.42Å; G656-Q684 VanDerWaalsContact N-OE1 3.11Å
657T85Confident92.7Very high108 Ų10837.1 Ų37.166%0.66319%0.189SC*.THydrogen-bonded Turntrans-130.4-8.9-178.958.80000114P654 D655P654-T657 PolarHBondContact O-N 2.78Å; D655-T657 PolarHBondContact O-N 2.81Å
658G88.7Confident92.4Very high9 Ų935.8 Ų35.89%0.09321%0.21CC..SBendtrans-70157.8-17800000113.7G653 P654 N660G653-G658 PolarHBondContact N-O 3.4Å; G653-G658 CarbonylContact O-C 3.42Å; G653-G658 WeakPolarHBondContact O-CA 3.37Å; G653-G658 VanDerWaalsContact O-O 3.07Å; P654-G658 PolarHBondContact O-N 3.16Å; G658-N660 PolarHBondContact O-N 3.08Å
659P95Very high92.1Very high10 Ų1033.6 Ų33.67%0.06520%0.204CC..BIsolated β-bridgetrans-79.955-177.537-40.9000112.2F609 A614 I617 E618 R698 A699F609-P659 VanDerWaalsContact CE2-C 3.5Å; F609-P659 HydrophobicContact CE2-CB 4.23Å; F609-P659 WeakPolarHBondContact CE2-O 3.3Å; F609-P659 WeakPolarHBondContact CZ-O 3.35Å; A614-P659 HydrophobicContact CB-CB 3.84Å; I617-P659 HydrophobicContact CB-CB 4.41Å; I617-P659 HydrophobicContact CG2-CB 4.35Å; E618-P659 HydrophobicContact CG-CB 4.39Å; E618-P659 HydrophobicContact CG-CG 4.17Å; P659-R698 HydrophobicContact CG-CB 4.47Å; P659-R698 HydrophobicContact CG-CG 3.76Å; P659-A699 VanDerWaalsContact O-CA 3.24Å; P659-A699 WeakPolarHBondContact O-CA 3.3Å; P659-A699 PolarHBondContact O-N 3.48Å
660N97.4Very high91.6Very high0 Ų039.7 Ų39.70%023%0.232CC..EExtended strand (participates in β ladder)trans-134.4144.6167.7-55.1-77.5000108.6F652 G653 G658 F683 T687 M697 R698 A699 I700F652-N660 CarbonylContact C-O 3.58Å; F652-N660 VanDerWaalsContact CA-O 3.24Å; F652-N660 WeakPolarHBondContact CA-O 3.35Å; G653-N660 PolarHBondContact N-O 2.97Å; G653-N660 VanDerWaalsContact O-CB 3.27Å; G653-N660 WeakPolarHBondContact O-CB 3.49Å; G653-N660 PolarHBondContact O-N 3.3Å; G653-N660 VanDerWaalsContact O-N 3.1Å; G653-N660 PolarHBondContact O-ND2 2.9Å; G658-N660 PolarHBondContact O-N 3.08Å; N660-F683 HydrophobicContact CB-CZ 3.94Å; N660-T687 HydrophobicContact CB-CG2 3.96Å; N660-M697 PolarHBondContact ND2-O 3.27Å; N660-R698 WeakPolarHBondContact OD1-CA 3.43Å; N660-R698 PolarHBondContact OD1-N 3.21Å; N660-A699 PolarHBondContact OD1-N 3.24Å; N660-I700 VanDerWaalsContact CA-O 3.27Å; N660-I700 WeakPolarHBondContact CA-O 3.34Å; N660-I700 WeakPolarHBondContact CB-O 3.5Å; N660-I700 PolarHBondContact OD1-N 2.94Å; N660-I700 VanDerWaalsContact OD1-N 3.08Å
661L96.9Very high91.2Very high1 Ų142.4 Ų42.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-123.5132.6-174.2-72.7175.8000111.5F609 W641 I649 F652 I663 I700 F702F609-L661 HydrophobicContact CE1-CB 4.07Å; F609-L661 HydrophobicContact CE1-CD1 4.02Å; F609-L661 HydrophobicContact CE1-CG 4.05Å; F609-L661 HydrophobicContact CZ-CB 4.05Å; F609-L661 HydrophobicContact CZ-CD1 3.86Å; F609-L661 HydrophobicContact CZ-CG 3.64Å; W641-L661 HydrophobicContact CH2-CD1 3.42Å; W641-L661 VanDerWaalsContact CH2-CD1 3.42Å; W641-L661 HydrophobicContact CZ2-CD1 4.14Å; W641-L661 HydrophobicContact CZ3-CD1 4.13Å; I649-L661 HydrophobicContact CD1-CD1 4.21Å; I649-L661 HydrophobicContact CD1-CD2 4.41Å; I649-L661 HydrophobicContact CG2-CD2 3.64Å; F652-L661 HydrophobicContact CD1-CD2 3.49Å; F652-L661 VanDerWaalsContact CD1-CD2 3.49Å; F652-L661 HydrophobicContact CD2-CD2 4.13Å; F652-L661 HydrophobicContact CE1-CD2 3.4Å; F652-L661 VanDerWaalsContact CE1-CD2 3.4Å; F652-L661 HydrophobicContact CE1-CG 4.43Å; F652-L661 HydrophobicContact CE2-CD2 4.03Å; F652-L661 HydrophobicContact CG-CD2 3.86Å; F652-L661 HydrophobicContact CZ-CD2 3.67Å; L661-I663 HydrophobicContact CB-CD1 4.39Å; L661-I663 HydrophobicContact CB-CG1 4.26Å; L661-I700 PolarHBondContact N-O 3.41Å; L661-F702 PolarHBondContact O-N 3.37Å
662L97.4Very high91Very high1 Ų142.3 Ų42.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-102.6123.4165.8-175.465.1000109.4M604 W650 C651 M679 F683 F702 I704M604-L662 HydrophobicContact CE-CD1 3.55Å; W650-L662 HydrophobicContact CE3-CD2 3.83Å; W650-L662 HydrophobicContact CE3-CG 4.41Å; W650-L662 PolarHBondContact N-O 3.17Å; C651-L662 PolarHBondContact O-N 3.23Å; L662-M679 HydrophobicContact CD2-CB 4.48Å; L662-F683 HydrophobicContact CB-CD1 4.14Å; L662-F683 HydrophobicContact CB-CD2 3.86Å; L662-F683 HydrophobicContact CB-CE1 4.15Å; L662-F683 HydrophobicContact CB-CE2 3.88Å; L662-F683 HydrophobicContact CB-CG 3.98Å; L662-F683 HydrophobicContact CB-CZ 4.02Å; L662-F683 HydrophobicContact CD1-CD2 4.18Å; L662-F683 HydrophobicContact CD2-CB 3.93Å; L662-F683 HydrophobicContact CD2-CD2 4.41Å; L662-F683 HydrophobicContact CD2-CG 4.1Å; L662-F683 HydrophobicContact CG-CD2 4.37Å; L662-F683 HydrophobicContact CG-CG 4.48Å; L662-F702 HydrophobicContact CD1-CB 4.11Å; L662-I704 HydrophobicContact CD1-CD1 3.94Å; L662-I704 HydrophobicContact CD1-CG1 3.87Å; L662-I704 HydrophobicContact CD2-CD1 4.34Å; L662-I704 HydrophobicContact CG-CD1 4.11Å
663I95.9Very high90.7Very high0 Ų048.5 Ų48.50%027%0.274CS..EExtended strand (participates in β ladder)trans-127133.9-173.5-51.8-178.7000110W641 K648 I649 L661 I665 R701 F702 I704W641-I663 HydrophobicContact CH2-CD1 3.59Å; W641-I663 HydrophobicContact CZ3-CD1 3.5Å; W641-I663 VanDerWaalsContact CZ3-CD1 3.5Å; K648-I663 HydrophobicContact CB-CG2 4.45Å; I649-I663 HydrophobicContact CG1-CD1 4.23Å; I649-I663 HydrophobicContact CG1-CG1 4.09Å; L661-I663 HydrophobicContact CB-CD1 4.39Å; L661-I663 HydrophobicContact CB-CG1 4.26Å; I663-I665 HydrophobicContact CG2-CG2 4.06Å; I663-R701 HydrophobicContact CD1-CG 3.83Å; I663-F702 PolarHBondContact N-O 3.18Å; I663-I704 PolarHBondContact O-N 2.85Å
664D95.4Very high90.6Very high20 Ų2053.6 Ų53.611%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-87.6115.9170.816829000110.6K648 W650 T666K648-D664 HydrophobicContact CB-CB 4.43Å; K648-D664 VanDerWaalsContact CB-O 3.29Å; K648-D664 WeakPolarHBondContact CB-O 3.49Å; K648-D664 WeakPolarHBondContact CD-O 3.45Å; K648-D664 PolarHBondContact O-N 3.23Å; W650-D664 HydrophobicContact CD2-CB 4.45Å; W650-D664 HydrophobicContact CZ2-CB 3.75Å; W650-D664 VanDerWaalsContact NE1-CB 3.25Å; D664-T666 VanDerWaalsContact OD1-CB 3.27Å; D664-T666 WeakPolarHBondContact OD1-CB 3.37Å; D664-T666 WeakPolarHBondContact OD1-CG2 3.29Å; D664-T666 PolarHBondContact OD1-N 2.84Å; D664-T666 PolarHBondContact OD1-OG1 3.02Å
665I93.7Very high90.7Very high33 Ų3353.1 Ų53.117%0.16930%0.295CS..  trans-115.311.8171.861.8167.1000112E645 I663 D703 I704 H705E645-I665 HydrophobicContact CG-CG2 4.45Å; I663-I665 HydrophobicContact CG2-CG2 4.06Å; I665-D703 HydrophobicContact CD1-CB 3.63Å; I665-D703 HydrophobicContact CG1-CB 4.06Å; I665-I704 CarbonylContact C-O 3.58Å; I665-I704 WeakPolarHBondContact CG1-O 3.32Å; I665-I704 PolarHBondContact N-O 3.39Å; I665-I704 VanDerWaalsContact N-O 3.09Å; I665-H705 WeakPolarHBondContact CD1-CE1 3.43Å; I665-H705 VanDerWaalsContact CD1-ND1 3.31Å; I665-H705 WeakPolarHBondContact CD1-ND1 3.28Å
666T93Very high91.2Very high9 Ų951.6 Ų51.66%0.05528%0.283CS..  trans-66.6158.317972.10000111.6D664 V669 L672 I704 V707D664-T666 VanDerWaalsContact OD1-CB 3.27Å; D664-T666 WeakPolarHBondContact OD1-CB 3.37Å; D664-T666 WeakPolarHBondContact OD1-CG2 3.29Å; D664-T666 PolarHBondContact OD1-N 2.84Å; D664-T666 PolarHBondContact OD1-OG1 3.02Å; T666-V669 HydrophobicContact CG2-CG2 4.34Å; T666-L672 HydrophobicContact CG2-CD2 4.38Å; T666-L672 WeakPolarHBondContact OG1-CD2 3.37Å; T666-I704 HydrophobicContact CG2-CB 4.31Å; T666-I704 HydrophobicContact CG2-CG2 3.72Å; T666-I704 VanDerWaalsContact CG2-O 3.27Å; T666-I704 WeakPolarHBondContact CG2-O 3.49Å; T666-I704 PolarHBondContact N-O 2.96Å; T666-V707 HydrophobicContact CG2-CG2 4.48Å
667K89.9Confident91.6Very high193 Ų19356.7 Ų56.784%0.83931%0.305SS*.  trans-135.2121.3176.4-64.5-178.7-176.3175.30110V669K667-V669 PolarHBondContact O-N 2.89Å
668G85.2Confident92Very high86 Ų8652.6 Ų52.689%0.88728%0.28SS*.SBendtrans76.215.7172.500000115.9
669V87.7Confident92.4Very high33 Ų3352.2 Ų52.220%0.228%0.276CS..  trans-80.8120.7179.3-1790000110.7T666 K667 L672 V707T666-V669 HydrophobicContact CG2-CG2 4.34Å; K667-V669 PolarHBondContact O-N 2.89Å; V669-L672 HydrophobicContact CB-CB 4.5Å; V669-L672 HydrophobicContact CG1-CB 4.24Å; V669-L672 HydrophobicContact CG1-CD1 4.39Å; V669-V707 HydrophobicContact CG1-CB 4.19Å
670Q84.9Confident92.4Very high136 Ų13653.3 Ų53.364%0.63628%0.283SS*.THydrogen-bonded Turntrans-75.5151.6174.6-63.6-177.7-5.800110.9L672Q670-L672 PolarHBondContact O-N 2.95Å; Q670-L672 VanDerWaalsContact O-N 3.09Å
671Y87.3Confident92.2Very high91 Ų9155.5 Ų55.536%0.35730%0.3SS..THydrogen-bonded Turntrans63.86.7177-41.2-66000116.4N673 E674Y671-N673 VanDerWaalsContact C-N 3.29Å; Y671-N673 PolarHBondContact O-N 3.37Å; Y671-E674 WeakPolarHBondContact CD1-OE1 3.31Å; Y671-E674 WeakPolarHBondContact O-CB 3.46Å; Y671-E674 PolarHBondContact O-N 2.86Å
672L89.6Confident92.2Very high12 Ų1255.4 Ų55.46%0.06330%0.3CS..Hα-helixtrans-57.7-40.1-179.9-171.469.1000112.8W650 T666 V669 Q670 E674 I675 K676 V707W650-L672 HydrophobicContact CH2-CD1 3.88Å; W650-L672 HydrophobicContact CH2-CD2 4.3Å; W650-L672 HydrophobicContact CH2-CG 3.84Å; W650-L672 HydrophobicContact CZ2-CD1 4.31Å; W650-L672 HydrophobicContact CZ2-CD2 3.87Å; W650-L672 HydrophobicContact CZ2-CG 3.84Å; T666-L672 HydrophobicContact CG2-CD2 4.38Å; T666-L672 WeakPolarHBondContact OG1-CD2 3.37Å; V669-L672 HydrophobicContact CB-CB 4.5Å; V669-L672 HydrophobicContact CG1-CB 4.24Å; V669-L672 HydrophobicContact CG1-CD1 4.39Å; Q670-L672 PolarHBondContact O-N 2.95Å; Q670-L672 VanDerWaalsContact O-N 3.09Å; L672-E674 PolarHBondContact O-N 3.19Å; L672-I675 HydrophobicContact CD1-CD1 4.24Å; L672-I675 HydrophobicContact CD1-CG1 4.44Å; L672-I675 WeakPolarHBondContact O-CG1 3.18Å; L672-I675 PolarHBondContact O-N 2.77Å; L672-K676 PolarHBondContact O-N 2.8Å; L672-V707 HydrophobicContact CD1-CB 4.4Å; L672-V707 HydrophobicContact CD1-CG2 3.85Å
673N88.6Confident92.2Very high134 Ų13455.4 Ų55.472%0.71730%0.3SS*.Hα-helixtrans-64.7-26.8178.2-71.5-31.4000113Y671 K676Y671-N673 VanDerWaalsContact C-N 3.29Å; Y671-N673 PolarHBondContact O-N 3.37Å; N673-K676 WeakPolarHBondContact O-CB 3.37Å
674E90.3Very high92.2Very high107 Ų10757.2 Ų57.250%0.531%0.308SS..Hα-helixtrans-74.1-29.5-179.9-60.5-178.6-166.200112.2Y671 L672 R716Y671-E674 WeakPolarHBondContact CD1-OE1 3.31Å; Y671-E674 WeakPolarHBondContact O-CB 3.46Å; Y671-E674 PolarHBondContact O-N 2.86Å; L672-E674 PolarHBondContact O-N 3.19Å; E674-R716 IonicContact OE1-NH2 3.63Å; E674-R716 IonicContact OE2-CZ 3.66Å; E674-R716 IonicContact OE2-NE 3.03Å; E674-R716 PolarHBondContact OE2-NE 3.43Å; E674-R716 IonicContact OE2-NH2 3.8Å; E674-R716 PolarHBondContact OE2-NH2 2.77Å
675I93.1Very high92.1Very high1 Ų161.7 Ų61.71%0.00532%0.324CS..Hα-helixtrans-92.1-4.7178.964.7151.8000112.9L602 L672 D677 S678 M679 V707 L709 R716 I721L602-I675 HydrophobicContact CD2-CD1 4.49Å; L672-I675 HydrophobicContact CD1-CD1 4.24Å; L672-I675 HydrophobicContact CD1-CG1 4.44Å; L672-I675 WeakPolarHBondContact O-CG1 3.18Å; L672-I675 PolarHBondContact O-N 2.77Å; I675-D677 VanDerWaalsContact C-N 3.34Å; I675-D677 PolarHBondContact O-N 2.87Å; I675-S678 WeakPolarHBondContact O-CB 3.47Å; I675-S678 PolarHBondContact O-N 3.09Å; I675-M679 HydrophobicContact CD1-CG 3.88Å; I675-M679 HydrophobicContact CD1-SD 4.46Å; I675-M679 HydrophobicContact CG1-CG 4.36Å; I675-M679 PolarHBondContact O-N 3.38Å; I675-V707 HydrophobicContact CD1-CG1 4.17Å; I675-L709 HydrophobicContact CD1-CD1 4.11Å; I675-L709 HydrophobicContact CD1-CD2 3.95Å; I675-L709 HydrophobicContact CG1-CD1 4.16Å; I675-L709 HydrophobicContact CG2-CD1 4.1Å; I675-L709 HydrophobicContact CG2-CD2 4.16Å; I675-R716 HydrophobicContact CG2-CB 4.13Å; I675-I721 HydrophobicContact CB-CG1 4.35Å; I675-I721 HydrophobicContact CB-CG2 4.4Å; I675-I721 HydrophobicContact CG2-CD1 4.25Å; I675-I721 HydrophobicContact CG2-CG1 4.05Å
676K94.4Very high92.2Very high74 Ų7460.1 Ų60.132%0.32232%0.316SS..Hα-helixtrans-53.3-48.8-174.6-176.2178.2-179.7-178.40112.1W650 L672 N673 S678 M679 V680W650-K676 HydrophobicContact CD2-CD 4.39Å; W650-K676 HydrophobicContact CD2-CG 4Å; W650-K676 HydrophobicContact CE3-CG 3.92Å; W650-K676 HydrophobicContact CH2-CG 4.47Å; W650-K676 HydrophobicContact CZ3-CB 4.44Å; W650-K676 HydrophobicContact CZ3-CG 4.18Å; L672-K676 PolarHBondContact O-N 2.8Å; N673-K676 WeakPolarHBondContact O-CB 3.37Å; K676-S678 VanDerWaalsContact C-N 3.28Å; K676-S678 PolarHBondContact O-N 3.2Å; K676-M679 WeakPolarHBondContact O-CB 3.31Å; K676-M679 PolarHBondContact O-N 3.23Å; K676-V680 HydrophobicContact CG-CG2 4.34Å; K676-V680 WeakPolarHBondContact O-CB 3.12Å; K676-V680 VanDerWaalsContact O-CG2 3.26Å; K676-V680 WeakPolarHBondContact O-CG2 3.39Å; K676-V680 PolarHBondContact O-N 2.87Å
677D93.1Very high92.4Very high133 Ų13359.7 Ų59.771%0.71131%0.313SS*.Hα-helixtrans-63.6-35.9-179-67.7-14.6000112.1I675 A681I675-D677 VanDerWaalsContact C-N 3.34Å; I675-D677 PolarHBondContact O-N 2.87Å; D677-A681 WeakPolarHBondContact O-CB 3.33Å; D677-A681 PolarHBondContact O-N 3.33Å
678S95.3Very high92.5Very high21 Ų2155.1 Ų55.115%0.14729%0.293CS..Hα-helixtrans-71.1-38.6176.3-620000112.1I675 K676 A681 G682 G718 I722I675-S678 WeakPolarHBondContact O-CB 3.47Å; I675-S678 PolarHBondContact O-N 3.09Å; K676-S678 VanDerWaalsContact C-N 3.28Å; K676-S678 PolarHBondContact O-N 3.2Å; S678-A681 PolarHBondContact O-N 3.27Å; S678-G682 PolarHBondContact O-N 3Å; S678-G718 WeakPolarHBondContact OG-CA 3.39Å; S678-I722 VanDerWaalsContact O-CG1 3.32Å; S678-I722 WeakPolarHBondContact O-CG1 3.49Å
679M95.8Very high92.8Very high2 Ų252.5 Ų52.51%0.0126%0.258CS..Hα-helixtrans-64.5-45.1173.6-74.4-65.2-64.100111.5L602 M604 W650 L662 I675 K676 G682 F683 I704 I721 A725L602-M679 HydrophobicContact CD1-CE 4.06Å; L602-M679 HydrophobicContact CD1-SD 3.53Å; L602-M679 VanDerWaalsContact CD1-SD 3.53Å; L602-M679 HydrophobicContact CD2-CE 4.16Å; L602-M679 HydrophobicContact CD2-SD 3.74Å; L602-M679 HydrophobicContact CG-SD 4.33Å; M604-M679 HydrophobicContact SD-CE 4.05Å; W650-M679 HydrophobicContact CE3-CB 4.23Å; W650-M679 HydrophobicContact CZ3-CB 3.67Å; W650-M679 HydrophobicContact CZ3-CG 3.96Å; L662-M679 HydrophobicContact CD2-CB 4.48Å; I675-M679 HydrophobicContact CD1-CG 3.88Å; I675-M679 HydrophobicContact CD1-SD 4.46Å; I675-M679 HydrophobicContact CG1-CG 4.36Å; I675-M679 PolarHBondContact O-N 3.38Å; K676-M679 WeakPolarHBondContact O-CB 3.31Å; K676-M679 PolarHBondContact O-N 3.23Å; M679-G682 PolarHBondContact O-N 3.34Å; M679-F683 VanDerWaalsContact O-CB 3.28Å; M679-F683 WeakPolarHBondContact O-CB 3.41Å; M679-F683 PolarHBondContact O-N 3.16Å; M679-I704 HydrophobicContact CE-CD1 3.93Å; M679-I704 HydrophobicContact CE-CG1 4.29Å; M679-I721 HydrophobicContact CG-CG2 3.95Å; M679-I721 HydrophobicContact SD-CG2 3.74Å; M679-A725 HydrophobicContact CE-CB 4.17Å; M679-A725 HydrophobicContact SD-CB 3.67Å
680V95.3Very high93.1Very high33 Ų3351 Ų5120%0.225%0.249CC..Hα-helixtrans-60.3-47.1176171.10000109.9C651 K676 G682 F683 Q684C651-V680 HydrophobicContact CB-CG1 4.11Å; C651-V680 HydrophobicContact CB-CG2 4.29Å; K676-V680 HydrophobicContact CG-CG2 4.34Å; K676-V680 WeakPolarHBondContact O-CB 3.12Å; K676-V680 VanDerWaalsContact O-CG2 3.26Å; K676-V680 WeakPolarHBondContact O-CG2 3.39Å; K676-V680 PolarHBondContact O-N 2.87Å; V680-G682 PolarHBondContact O-N 3.25Å; V680-F683 PolarHBondContact O-N 3.26Å; V680-Q684 HydrophobicContact CG1-CG 4.35Å; V680-Q684 WeakPolarHBondContact O-CG 3.44Å; V680-Q684 PolarHBondContact O-N 3Å
681A94.1Very high93.5Very high45 Ų4544.7 Ų44.737%0.37222%0.22SC..Hα-helixtrans-60.1-44.8177.100000112.6D677 S678 F683 Q684 W685 I722D677-A681 WeakPolarHBondContact O-CB 3.33Å; D677-A681 PolarHBondContact O-N 3.33Å; S678-A681 PolarHBondContact O-N 3.27Å; A681-F683 VanDerWaalsContact C-N 3.33Å; A681-F683 PolarHBondContact O-N 3.48Å; A681-Q684 PolarHBondContact O-N 3.36Å; A681-W685 PolarHBondContact O-N 3.11Å; A681-W685 VanDerWaalsContact O-N 3.13Å; A681-I722 HydrophobicContact CB-CD1 4.1Å; A681-I722 HydrophobicContact CB-CG1 4.21Å
682G96.1Very high93.8Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-62.7-37.8174.900000113.1S678 M679 V680 W685 A686S678-G682 PolarHBondContact O-N 3Å; M679-G682 PolarHBondContact O-N 3.34Å; V680-G682 PolarHBondContact O-N 3.25Å; G682-W685 PolarHBondContact O-N 3Å; G682-A686 VanDerWaalsContact O-CB 3.28Å; G682-A686 WeakPolarHBondContact O-CB 3.42Å; G682-A686 PolarHBondContact O-N 3.5Å
683F97.5Very high93.9Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-68.9-44176.4172.9-97.6000113.1C651 N660 L662 M679 V680 A681 W685 A686 T687 F702 L729C651-F683 WeakPolarHBondContact SG-CD1 3.23Å; N660-F683 HydrophobicContact CB-CZ 3.94Å; L662-F683 HydrophobicContact CB-CD1 4.14Å; L662-F683 HydrophobicContact CB-CD2 3.86Å; L662-F683 HydrophobicContact CB-CE1 4.15Å; L662-F683 HydrophobicContact CB-CE2 3.88Å; L662-F683 HydrophobicContact CB-CG 3.98Å; L662-F683 HydrophobicContact CB-CZ 4.02Å; L662-F683 HydrophobicContact CD1-CD2 4.18Å; L662-F683 HydrophobicContact CD2-CB 3.93Å; L662-F683 HydrophobicContact CD2-CD2 4.41Å; L662-F683 HydrophobicContact CD2-CG 4.1Å; L662-F683 HydrophobicContact CG-CD2 4.37Å; L662-F683 HydrophobicContact CG-CG 4.48Å; M679-F683 VanDerWaalsContact O-CB 3.28Å; M679-F683 WeakPolarHBondContact O-CB 3.41Å; M679-F683 PolarHBondContact O-N 3.16Å; V680-F683 PolarHBondContact O-N 3.26Å; A681-F683 VanDerWaalsContact C-N 3.33Å; A681-F683 PolarHBondContact O-N 3.48Å; F683-W685 VanDerWaalsContact C-N 3.25Å; F683-W685 PolarHBondContact O-N 2.87Å; F683-A686 PolarHBondContact O-N 3.49Å; F683-T687 HydrophobicContact CD1-CG2 4.49Å; F683-T687 HydrophobicContact CD2-CG2 3.86Å; F683-T687 HydrophobicContact CE1-CG2 4.17Å; F683-T687 HydrophobicContact CE2-CG2 3.46Å; F683-T687 VanDerWaalsContact CE2-CG2 3.46Å; F683-T687 HydrophobicContact CG-CG2 4.37Å; F683-T687 HydrophobicContact CZ-CG2 3.64Å; F683-T687 WeakPolarHBondContact O-CB 3.48Å; F683-T687 WeakPolarHBondContact O-CG2 3.47Å; F683-T687 PolarHBondContact O-N 2.83Å; F683-T687 PolarHBondContact O-OG1 3.18Å; F683-F702 HydrophobicContact CD2-CD2 4.41Å; F683-F702 AromaticContact CE2-CD2 3.67Å; F683-F702 HydrophobicContact CE2-CD2 3.67Å; F683-F702 HydrophobicContact CE2-CE2 4.19Å; F683-F702 HydrophobicContact CE2-CG 4.42Å; F683-L729 HydrophobicContact CB-CD1 4.08Å; F683-L729 HydrophobicContact CD2-CD1 4.05Å; F683-L729 HydrophobicContact CD2-CD2 4.14Å
684Q95.4Very high94Very high38 Ų3836 Ų3618%0.17818%0.178CC..Hα-helixtrans-59.6-40.7175.3-65.7-51.8-41.500111.1F652 P654 G656 V680 A681 T687 K688F652-Q684 PolarHBondContact O-NE2 3.15Å; F652-Q684 PolarHBondContact O-OE1 2.84Å; P654-Q684 VanDerWaalsContact C-OE1 3.28Å; G656-Q684 VanDerWaalsContact N-OE1 3.11Å; V680-Q684 HydrophobicContact CG1-CG 4.35Å; V680-Q684 WeakPolarHBondContact O-CG 3.44Å; V680-Q684 PolarHBondContact O-N 3Å; A681-Q684 PolarHBondContact O-N 3.36Å; Q684-T687 PolarHBondContact O-OG1 3.33Å; Q684-K688 WeakPolarHBondContact O-CB 3.38Å; Q684-K688 PolarHBondContact O-N 2.81Å
685W94Very high94Very high114 Ų11431.1 Ų31.143%0.43216%0.155SC..Hα-helixtrans-67.3-51.9176.6-170.31.4000111.5A681 G682 F683 T687 K688 E689 I722A681-W685 PolarHBondContact O-N 3.11Å; A681-W685 VanDerWaalsContact O-N 3.13Å; G682-W685 PolarHBondContact O-N 3Å; F683-W685 VanDerWaalsContact C-N 3.25Å; F683-W685 PolarHBondContact O-N 2.87Å; W685-T687 VanDerWaalsContact C-N 3.35Å; W685-T687 PolarHBondContact O-N 2.96Å; W685-K688 WeakPolarHBondContact O-CB 3.08Å; W685-K688 PolarHBondContact O-N 3.13Å; W685-K688 VanDerWaalsContact O-N 3.11Å; W685-E689 PolarHBondContact NE1-OE1 3.49Å; W685-E689 PolarHBondContact NE1-OE2 3.15Å; W685-E689 PolarHBondContact O-N 3.4Å; W685-I722 HydrophobicContact CE3-CG2 3.94Å; W685-I722 HydrophobicContact CZ3-CG2 4.22Å
686A96.1Very high94Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-59.6-43.5-178.200000112.3G682 F683 K688 E689 G690 M697 R726 L729 Y730G682-A686 VanDerWaalsContact O-CB 3.28Å; G682-A686 WeakPolarHBondContact O-CB 3.42Å; G682-A686 PolarHBondContact O-N 3.5Å; F683-A686 PolarHBondContact O-N 3.49Å; A686-K688 VanDerWaalsContact C-N 3.26Å; A686-K688 PolarHBondContact O-N 3.03Å; A686-E689 PolarHBondContact O-N 2.89Å; A686-G690 PolarHBondContact O-N 3.3Å; A686-M697 WeakPolarHBondContact O-CE 3.42Å; A686-R726 HydrophobicContact CB-CB 4.46Å; A686-R726 HydrophobicContact CB-CG 4.11Å; A686-L729 HydrophobicContact CB-CB 4.04Å; A686-L729 HydrophobicContact CB-CD1 3.57Å; A686-L729 HydrophobicContact CB-CG 4.46Å; A686-Y730 HydrophobicContact CB-CE1 4.17Å
687T96.4Very high94.1Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-71.6-19179.552.70000113.9N660 F683 Q684 W685 N696 M697 F702N660-T687 HydrophobicContact CB-CG2 3.96Å; F683-T687 HydrophobicContact CD1-CG2 4.49Å; F683-T687 HydrophobicContact CD2-CG2 3.86Å; F683-T687 HydrophobicContact CE1-CG2 4.17Å; F683-T687 HydrophobicContact CE2-CG2 3.46Å; F683-T687 VanDerWaalsContact CE2-CG2 3.46Å; F683-T687 HydrophobicContact CG-CG2 4.37Å; F683-T687 HydrophobicContact CZ-CG2 3.64Å; F683-T687 WeakPolarHBondContact O-CB 3.48Å; F683-T687 WeakPolarHBondContact O-CG2 3.47Å; F683-T687 PolarHBondContact O-N 2.83Å; F683-T687 PolarHBondContact O-OG1 3.18Å; Q684-T687 PolarHBondContact O-OG1 3.33Å; W685-T687 VanDerWaalsContact C-N 3.35Å; W685-T687 PolarHBondContact O-N 2.96Å; T687-N696 WeakPolarHBondContact O-CA 3.32Å; T687-M697 HydrophobicContact CG2-CB 4.46Å; T687-M697 HydrophobicContact CG2-SD 3.83Å; T687-M697 PolarHBondContact O-N 3.41Å; T687-F702 HydrophobicContact CG2-CE2 4.35Å
688K91.9Very high94.2Very high98 Ų9823.5 Ų23.543%0.42612%0.118SC..Hα-helixtrans-78.1-31.4174.2-170.7166.3-171153.70112.5P654 D655 Q684 W685 A686 N696P654-K688 HydrophobicContact CB-CB 4.02Å; D655-K688 IonicContact OD1-NZ 2.67Å; D655-K688 PolarHBondContact OD1-NZ 3.44Å; D655-K688 IonicContact OD2-NZ 3Å; Q684-K688 WeakPolarHBondContact O-CB 3.38Å; Q684-K688 PolarHBondContact O-N 2.81Å; W685-K688 WeakPolarHBondContact O-CB 3.08Å; W685-K688 PolarHBondContact O-N 3.13Å; W685-K688 VanDerWaalsContact O-N 3.11Å; A686-K688 VanDerWaalsContact C-N 3.26Å; A686-K688 PolarHBondContact O-N 3.03Å; K688-N696 WeakPolarHBondContact O-CA 3.47Å; K688-N696 PolarHBondContact O-N 2.91Å; K688-N696 PolarHBondContact O-OD1 2.9Å
689E91.4Very high94.3Very high31 Ų3123 Ų2315%0.14512%0.115CC..Hα-helixtrans-101.2-45.8-179.7-71.3166.7-174.400111.9W685 A686 E694 E695 R726 Y730W685-E689 PolarHBondContact NE1-OE1 3.49Å; W685-E689 PolarHBondContact NE1-OE2 3.15Å; W685-E689 PolarHBondContact O-N 3.4Å; A686-E689 PolarHBondContact O-N 2.89Å; E689-E694 HydrophobicContact CB-CB 4.34Å; E689-E694 HydrophobicContact CB-CG 4.37Å; E689-E694 CarbonylContact O-C 3.57Å; E689-E694 WeakPolarHBondContact O-CA 3.14Å; E689-E695 CarbonylContact C-O 3.59Å; E689-E695 CarbonylContact O-C 3.5Å; E689-E695 WeakPolarHBondContact O-CA 3.39Å; E689-E695 PolarHBondContact O-N 3.09Å; E689-R726 IonicContact OE2-CZ 3.08Å; E689-R726 IonicContact OE2-NE 3.3Å; E689-R726 PolarHBondContact OE2-NE 3.34Å; E689-R726 IonicContact OE2-NH1 3.9Å; E689-R726 IonicContact OE2-NH2 3.51Å; E689-R726 PolarHBondContact OE2-NH2 3.5Å; E689-Y730 WeakPolarHBondContact CB-OH 3.38Å; E689-Y730 PolarHBondContact OE2-OH 2.52Å
690G93.6Very high94.4Very high2 Ų223 Ų232%0.02112%0.115CC..  trans72.7166.3-170.400000113E581 A686 Y730E581-G690 WeakPolarHBondContact OE2-CA 3.24Å; A686-G690 PolarHBondContact O-N 3.3Å; G690-Y730 VanDerWaalsContact O-CE1 3.3Å; G690-Y730 WeakPolarHBondContact O-CE1 3.45Å
691A94.2Very high94.4Very high3 Ų322 Ų223%0.02511%0.108CC..SBendtrans-96.4-25.7-174.300000113.8E581 Y730 L734 P849E581-A691 PolarHBondContact OE2-N 3.3Å; A691-Y730 HydrophobicContact CB-CD1 3.74Å; A691-Y730 HydrophobicContact CB-CE1 4.48Å; A691-Y730 HydrophobicContact CB-CG 3.92Å; A691-L734 HydrophobicContact CB-CD2 4.17Å; A691-L734 HydrophobicContact CB-CG 4.13Å; A691-P849 WeakPolarHBondContact O-CD 3.35Å; A691-P849 WeakPolarHBondContact O-CG 3.45Å
692L93.4Very high94.6Very high0 Ų019.9 Ų19.90%09%0.09CC..SBendtrans-75.1-57.2-172.8-64-179.8000111.8E581 L734 P738 P824 R839 I848E581-L692 HydrophobicContact CG-CB 4.28Å; E581-L692 HydrophobicContact CG-CD1 4.35Å; E581-L692 PolarHBondContact OE1-N 3.13Å; E581-L692 WeakPolarHBondContact OE2-CB 3.48Å; E581-L692 PolarHBondContact OE2-N 2.89Å; L692-L734 HydrophobicContact CD2-CD2 4.21Å; L692-P738 HydrophobicContact CD1-CB 4.1Å; L692-P738 HydrophobicContact CD2-CB 4.01Å; L692-P738 HydrophobicContact CD2-CG 3.92Å; L692-P738 HydrophobicContact CG-CB 4.22Å; L692-P824 HydrophobicContact CD1-CB 4.37Å; L692-P824 HydrophobicContact CD1-CG 4.14Å; L692-R839 VanDerWaalsContact O-CD 3.31Å; L692-R839 WeakPolarHBondContact O-CD 3.42Å; L692-R839 PolarHBondContact O-NH1 3.36Å; L692-I848 HydrophobicContact CD2-CD1 4.06Å; L692-I848 HydrophobicContact CD2-CG1 4.49Å; L692-I848 HydrophobicContact CD2-CG2 4.2Å
693C91.6Very high94.7Very high0 Ų019.9 Ų19.90%09%0.09CC..SBendtrans-144.922.6-173.159.10000113.7E581 E695 V835 I838 R839 K842E581-C693 PolarHBondContact OE1-N 2.95Å; C693-E695 VanDerWaalsContact C-N 3.28Å; C693-E695 PolarHBondContact O-N 3.2Å; C693-V835 HydrophobicContact CB-CG1 4.2Å; C693-I838 HydrophobicContact CB-CB 4.11Å; C693-I838 HydrophobicContact CB-CG2 3.79Å; C693-R839 HydrophobicContact CB-CG 3.87Å; C693-K842 PolarHBondContact O-NZ 2.75Å
694E91.4Very high94.7Very high54 Ų5419.9 Ų19.925%0.2529%0.09SC..SBendtrans6035.1-179-62.9-174.1176.200112.9E581 E689 K842 L844E581-E694 PolarHBondContact OE1-N 2.83Å; E689-E694 HydrophobicContact CB-CB 4.34Å; E689-E694 HydrophobicContact CB-CG 4.37Å; E689-E694 CarbonylContact O-C 3.57Å; E689-E694 WeakPolarHBondContact O-CA 3.14Å; E694-K842 HydrophobicContact CB-CD 4.37Å; E694-K842 PolarHBondContact O-NZ 3.48Å; E694-L844 HydrophobicContact CB-CD1 3.98Å; E694-L844 HydrophobicContact CG-CD1 3.69Å; E694-L844 WeakPolarHBondContact OE2-CD2 3.38Å
695E90.3Very high94.7Very high4 Ų421 Ų212%0.01910%0.095CC..PPolyproline II helixtrans-101.5147166-71.3-64142.100113R506 R580 E581 E689 C693 M697 K842R506-E695 IonicContact CZ-OE2 2.7Å; R506-E695 IonicContact NH1-OE1 3.34Å; R506-E695 PolarHBondContact NH1-OE1 3.45Å; R506-E695 IonicContact NH1-OE2 2.61Å; R506-E695 IonicContact NH2-OE2 3.03Å; R506-E695 PolarHBondContact NH2-OE2 3Å; R580-E695 IonicContact NH1-OE2 2.77Å; E581-E695 HydrophobicContact CG-CB 4.25Å; E581-E695 WeakPolarHBondContact CG-O 3.34Å; E581-E695 PolarHBondContact OE1-N 2.81Å; E689-E695 CarbonylContact C-O 3.59Å; E689-E695 CarbonylContact O-C 3.5Å; E689-E695 WeakPolarHBondContact O-CA 3.39Å; E689-E695 PolarHBondContact O-N 3.09Å; C693-E695 VanDerWaalsContact C-N 3.28Å; C693-E695 PolarHBondContact O-N 3.2Å; E695-M697 PolarHBondContact O-N 2.87Å; E695-K842 IonicContact OE1-NZ 3.77Å; E695-K842 PolarHBondContact OE1-NZ 3.15Å
696N92.9Very high94.7Very high39 Ų3918.9 Ų18.921%0.2099%0.093CC..PPolyproline II helixtrans-48.4132.7-178.4-60.223.6000113.1R580 E581 P654 T687 K688R580-N696 WeakPolarHBondContact CA-O 3.17Å; R580-N696 VanDerWaalsContact CD-O 3.23Å; R580-N696 WeakPolarHBondContact CD-O 3.4Å; E581-N696 PolarHBondContact N-O 3.4Å; E581-N696 VanDerWaalsContact N-O 3.08Å; P654-N696 HydrophobicContact CG-CB 4.43Å; T687-N696 WeakPolarHBondContact O-CA 3.32Å; K688-N696 WeakPolarHBondContact O-CA 3.47Å; K688-N696 PolarHBondContact O-N 2.91Å; K688-N696 PolarHBondContact O-OD1 2.9Å
697M96.3Very high94.6Very high2 Ų219.2 Ų19.21%0.0110%0.095CC..BIsolated β-bridgetrans-66.4149.5170.4-63.6-178.7-176.400110.7E581 N660 A686 T687 E695 I700 F702 Y730 Q733E581-M697 CarbonylContact O-C 3.14Å; E581-M697 VanDerWaalsContact O-CA 3.25Å; E581-M697 WeakPolarHBondContact O-CA 3.33Å; N660-M697 PolarHBondContact ND2-O 3.27Å; A686-M697 WeakPolarHBondContact O-CE 3.42Å; T687-M697 HydrophobicContact CG2-CB 4.46Å; T687-M697 HydrophobicContact CG2-SD 3.83Å; T687-M697 PolarHBondContact O-N 3.41Å; E695-M697 PolarHBondContact O-N 2.87Å; M697-I700 HydrophobicContact CB-CD1 3.9Å; M697-I700 HydrophobicContact CG-CD1 4.01Å; M697-I700 HydrophobicContact SD-CD1 3.99Å; M697-F702 HydrophobicContact CE-CZ 4.21Å; M697-F702 HydrophobicContact SD-CE2 3.86Å; M697-F702 HydrophobicContact SD-CZ 3.64Å; M697-Y730 HydrophobicContact CE-CD1 3.86Å; M697-Y730 HydrophobicContact CE-CE1 3.95Å; M697-Q733 VanDerWaalsContact CE-OE1 3.26Å
698R95.6Very high94.5Very high7 Ų721.9 Ų21.93%0.02611%0.111CC..  trans-143.4140.1173.8177.7166-161.2-64.67.8110.4R580 E581 T582 E615 E618 P659 N660 I700 M741 W817R580-R698 HydrophobicContact CB-CB 3.91Å; R580-R698 HydrophobicContact CG-CB 4.22Å; E581-R698 PolarHBondContact O-N 2.93Å; T582-R698 VanDerWaalsContact CB-O 3.29Å; T582-R698 WeakPolarHBondContact CB-O 3.48Å; T582-R698 PolarHBondContact OG1-O 3.23Å; E615-R698 IonicContact OE1-CZ 3.25Å; E615-R698 IonicContact OE1-NH1 3.96Å; E615-R698 PolarHBondContact OE1-NH1 2.93Å; E615-R698 IonicContact OE1-NH2 3.25Å; E615-R698 PolarHBondContact OE1-NH2 2.94Å; E618-R698 VanDerWaalsContact CD-NH2 3.27Å; E618-R698 IonicContact OE1-CZ 2.78Å; E618-R698 IonicContact OE1-NE 3.37Å; E618-R698 PolarHBondContact OE1-NE 2.89Å; E618-R698 IonicContact OE1-NH2 3.47Å; E618-R698 PolarHBondContact OE1-NH2 3.33Å; E618-R698 IonicContact OE2-CZ 3.3Å; E618-R698 IonicContact OE2-NE 3.68Å; E618-R698 IonicContact OE2-NH2 3.54Å; E618-R698 PolarHBondContact OE2-NH2 3.22Å; P659-R698 HydrophobicContact CG-CB 4.47Å; P659-R698 HydrophobicContact CG-CG 3.76Å; N660-R698 WeakPolarHBondContact OD1-CA 3.43Å; N660-R698 PolarHBondContact OD1-N 3.21Å; R698-I700 WeakPolarHBondContact O-CG1 3.49Å; R698-I700 PolarHBondContact O-N 2.82Å; R698-M741 HydrophobicContact CB-SD 4.35Å; R698-M741 HydrophobicContact CG-SD 4.3Å; R698-W817 VanDerWaalsContact NE-CD1 3.33Å
699A96.5Very high94.5Very high12 Ų1218.8 Ų18.810%0.09910%0.099CC..SBendtrans63.533.7173.100000114.7F609 A614 P659 N660F609-A699 HydrophobicContact CB-CB 4.2Å; F609-A699 HydrophobicContact CD2-CB 4.12Å; F609-A699 HydrophobicContact CG-CB 4.31Å; F609-A699 PolarHBondContact N-O 3.35Å; A614-A699 HydrophobicContact CB-CB 4.02Å; P659-A699 VanDerWaalsContact O-CA 3.24Å; P659-A699 WeakPolarHBondContact O-CA 3.3Å; P659-A699 PolarHBondContact O-N 3.48Å; N660-A699 PolarHBondContact OD1-N 3.24Å
700I97.6Very high94.6Very high0 Ų019.1 Ų19.10%010%0.1CC..EExtended strand (participates in β ladder)trans-110.5126.7179.2-44.2-175.7000111V583 F609 N660 L661 M697 R698 F702 Q733V583-I700 HydrophobicContact CG1-CD1 4.03Å; V583-I700 HydrophobicContact CG2-CB 4.45Å; V583-I700 HydrophobicContact CG2-CG1 4.15Å; V583-I700 HydrophobicContact CG2-CG2 3.88Å; F609-I700 VanDerWaalsContact CE1-C 3.44Å; F609-I700 WeakPolarHBondContact CE1-O 3.21Å; N660-I700 VanDerWaalsContact CA-O 3.27Å; N660-I700 WeakPolarHBondContact CA-O 3.34Å; N660-I700 WeakPolarHBondContact CB-O 3.5Å; N660-I700 PolarHBondContact OD1-N 2.94Å; N660-I700 VanDerWaalsContact OD1-N 3.08Å; L661-I700 PolarHBondContact N-O 3.41Å; M697-I700 HydrophobicContact CB-CD1 3.9Å; M697-I700 HydrophobicContact CG-CD1 4.01Å; M697-I700 HydrophobicContact SD-CD1 3.99Å; R698-I700 WeakPolarHBondContact O-CG1 3.49Å; R698-I700 PolarHBondContact O-N 2.82Å; I700-F702 HydrophobicContact CB-CD2 4.31Å; I700-F702 HydrophobicContact CB-CE2 3.69Å; I700-F702 HydrophobicContact CB-CZ 4.18Å; I700-F702 HydrophobicContact CD1-CZ 4.39Å; I700-F702 HydrophobicContact CG2-CD2 3.85Å; I700-F702 HydrophobicContact CG2-CE1 4.09Å; I700-F702 HydrophobicContact CG2-CE2 3.36Å; I700-F702 HydrophobicContact CG2-CG 4.45Å; I700-F702 HydrophobicContact CG2-CZ 3.5Å; I700-Q733 HydrophobicContact CD1-CG 4.33Å
701R96.9Very high94.3Very high13 Ų1323.4 Ų23.45%0.04913%0.126CC..EExtended strand (participates in β ladder)trans-95.5128.8167.9174.4176.9165.1158.95.2108.9S606 R607 F609 E645 I663 D703S606-R701 CarbonylContact C-O 3.56Å; S606-R701 WeakPolarHBondContact CA-O 3.46Å; S606-R701 WeakPolarHBondContact CB-O 3.45Å; R607-R701 HydrophobicContact CG-CB 3.89Å; R607-R701 HydrophobicContact CG-CG 4.07Å; R607-R701 PolarHBondContact N-O 3.41Å; R607-R701 PolarHBondContact O-N 3.24Å; F609-R701 HydrophobicContact CD1-CB 3.88Å; F609-R701 HydrophobicContact CE1-CB 3.73Å; E645-R701 VanDerWaalsContact CD-NH2 3.29Å; E645-R701 IonicContact OE1-NH2 3.02Å; E645-R701 IonicContact OE2-CZ 2.84Å; E645-R701 IonicContact OE2-NH1 3.46Å; E645-R701 PolarHBondContact OE2-NH1 3.37Å; E645-R701 VanDerWaalsContact OE2-NH1 3.08Å; E645-R701 IonicContact OE2-NH2 3.48Å; E645-R701 PolarHBondContact OE2-NH2 2.74Å; I663-R701 HydrophobicContact CD1-CG 3.83Å; R701-D703 IonicContact CZ-OD1 2.8Å; R701-D703 VanDerWaalsContact CZ-OD1 3.3Å; R701-D703 IonicContact CZ-OD2 3.14Å; R701-D703 IonicContact NE-OD1 2.63Å; R701-D703 PolarHBondContact NE-OD1 2.96Å; R701-D703 IonicContact NE-OD2 2.72Å; R701-D703 PolarHBondContact NE-OD2 3.47Å; R701-D703 IonicContact NH2-OD1 3.75Å; R701-D703 PolarHBondContact NH2-OD1 3.01Å; R701-D703 IonicContact NH2-OD2 3.2Å
702F98.3Very high94Very high0 Ų027.4 Ų27.40%015%0.147CC..EExtended strand (participates in β ladder)trans-115.3125.8174.3-67.4-87.7000110.4M604 L661 L662 I663 F683 T687 M697 I700 L729 C732M604-F702 HydrophobicContact CE-CB 3.89Å; L661-F702 PolarHBondContact O-N 3.37Å; L662-F702 HydrophobicContact CD1-CB 4.11Å; I663-F702 PolarHBondContact N-O 3.18Å; F683-F702 HydrophobicContact CD2-CD2 4.41Å; F683-F702 AromaticContact CE2-CD2 3.67Å; F683-F702 HydrophobicContact CE2-CD2 3.67Å; F683-F702 HydrophobicContact CE2-CE2 4.19Å; F683-F702 HydrophobicContact CE2-CG 4.42Å; T687-F702 HydrophobicContact CG2-CE2 4.35Å; M697-F702 HydrophobicContact CE-CZ 4.21Å; M697-F702 HydrophobicContact SD-CE2 3.86Å; M697-F702 HydrophobicContact SD-CZ 3.64Å; I700-F702 HydrophobicContact CB-CD2 4.31Å; I700-F702 HydrophobicContact CB-CE2 3.69Å; I700-F702 HydrophobicContact CB-CZ 4.18Å; I700-F702 HydrophobicContact CD1-CZ 4.39Å; I700-F702 HydrophobicContact CG2-CD2 3.85Å; I700-F702 HydrophobicContact CG2-CE1 4.09Å; I700-F702 HydrophobicContact CG2-CE2 3.36Å; I700-F702 HydrophobicContact CG2-CG 4.45Å; I700-F702 HydrophobicContact CG2-CZ 3.5Å; F702-L729 HydrophobicContact CB-CD2 3.87Å; F702-L729 HydrophobicContact CD1-CD2 3.23Å; F702-L729 HydrophobicContact CD1-CG 4.47Å; F702-L729 HydrophobicContact CD2-CD2 4.07Å; F702-L729 HydrophobicContact CE1-CB 4.19Å; F702-L729 HydrophobicContact CE1-CD2 3.63Å; F702-L729 WeakPolarHBondContact CE1-O 3.1Å; F702-L729 HydrophobicContact CE2-CD2 4.37Å; F702-L729 HydrophobicContact CG-CD2 3.45Å; F702-L729 VanDerWaalsContact CG-CD2 3.45Å; F702-L729 HydrophobicContact CZ-CD2 4.17Å; F702-C732 HydrophobicContact CD1-CB 4.07Å; F702-C732 HydrophobicContact CE1-CB 3.91Å
703D97.3Very high93.7Very high1 Ų130 Ų301%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-111.5123.9-178.2-62.7-56.7000110.7M604 K605 R607 I665 R701 H705M604-D703 VanDerWaalsContact CA-O 3.25Å; M604-D703 WeakPolarHBondContact CA-O 3.07Å; M604-D703 WeakPolarHBondContact CB-O 3.27Å; K605-D703 PolarHBondContact N-O 3.36Å; K605-D703 VanDerWaalsContact N-O 3.16Å; K605-D703 PolarHBondContact O-N 2.7Å; R607-D703 IonicContact CZ-OD2 3.71Å; R607-D703 IonicContact NE-OD2 2.99Å; R607-D703 PolarHBondContact NE-OD2 3.27Å; R607-D703 IonicContact NH2-OD1 3.87Å; R607-D703 IonicContact NH2-OD2 3.8Å; R607-D703 PolarHBondContact NH2-OD2 3.11Å; I665-D703 HydrophobicContact CD1-CB 3.63Å; I665-D703 HydrophobicContact CG1-CB 4.06Å; R701-D703 IonicContact CZ-OD1 2.8Å; R701-D703 VanDerWaalsContact CZ-OD1 3.3Å; R701-D703 IonicContact CZ-OD2 3.14Å; R701-D703 IonicContact NE-OD1 2.63Å; R701-D703 PolarHBondContact NE-OD1 2.96Å; R701-D703 IonicContact NE-OD2 2.72Å; R701-D703 PolarHBondContact NE-OD2 3.47Å; R701-D703 IonicContact NH2-OD1 3.75Å; R701-D703 PolarHBondContact NH2-OD1 3.01Å; R701-D703 IonicContact NH2-OD2 3.2Å; D703-H705 PolarHBondContact O-N 3.42Å
704I97.2Very high93.5Very high0 Ų037.3 Ų37.30%021%0.206CC..EExtended strand (participates in β ladder)trans-84.6103.5173.9-51.8167.7000108.2M604 W650 L662 I663 I665 T666 M679 V707M604-I704 HydrophobicContact CE-CG1 3.77Å; M604-I704 HydrophobicContact SD-CG1 4.22Å; W650-I704 HydrophobicContact CD2-CD1 4.41Å; W650-I704 HydrophobicContact CE3-CD1 3.84Å; W650-I704 HydrophobicContact CH2-CD1 3.76Å; W650-I704 HydrophobicContact CZ2-CD1 4.34Å; W650-I704 HydrophobicContact CZ3-CD1 3.47Å; W650-I704 VanDerWaalsContact CZ3-CD1 3.47Å; L662-I704 HydrophobicContact CD1-CD1 3.94Å; L662-I704 HydrophobicContact CD1-CG1 3.87Å; L662-I704 HydrophobicContact CD2-CD1 4.34Å; L662-I704 HydrophobicContact CG-CD1 4.11Å; I663-I704 PolarHBondContact O-N 2.85Å; I665-I704 CarbonylContact C-O 3.58Å; I665-I704 WeakPolarHBondContact CG1-O 3.32Å; I665-I704 PolarHBondContact N-O 3.39Å; I665-I704 VanDerWaalsContact N-O 3.09Å; T666-I704 HydrophobicContact CG2-CB 4.31Å; T666-I704 HydrophobicContact CG2-CG2 3.72Å; T666-I704 VanDerWaalsContact CG2-O 3.27Å; T666-I704 WeakPolarHBondContact CG2-O 3.49Å; T666-I704 PolarHBondContact N-O 2.96Å; M679-I704 HydrophobicContact CE-CD1 3.93Å; M679-I704 HydrophobicContact CE-CG1 4.29Å; I704-V707 HydrophobicContact CG2-CG2 3.66Å
705H95.5Very high93.4Very high61 Ų6138.4 Ų38.428%0.28221%0.211SC..EExtended strand (participates in β ladder)trans-80.6-45.7-177.2-81.9-90.3000112.8M590 F603 I665 D703M590-H705 HydrophobicContact CE-CB 3.8Å; M590-H705 VanDerWaalsContact CE-CG 3.49Å; M590-H705 HydrophobicContact SD-CB 3.84Å; F603-H705 PolarHBondContact O-N 2.93Å; I665-H705 WeakPolarHBondContact CD1-CE1 3.43Å; I665-H705 VanDerWaalsContact CD1-ND1 3.31Å; I665-H705 WeakPolarHBondContact CD1-ND1 3.28Å; D703-H705 PolarHBondContact O-N 3.42Å
706D94.6Very high93.3Very high70 Ų7038.9 Ų38.937%0.37421%0.213SC..EExtended strand (participates in β ladder)trans-154.2155.8-179.3-166.620.1000111.2F603F603-D706 HydrophobicContact CB-CB 4.06Å; F603-D706 HydrophobicContact CD2-CB 3.92Å; F603-D706 HydrophobicContact CG-CB 4.25Å; F603-D706 PolarHBondContact N-O 3.4Å; F603-D706 PolarHBondContact O-N 3.13Å
707V94.4Very high93.2Very high7 Ų738.6 Ų38.64%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-142.2127.8174.8-171.50000109.9R601 L602 T666 V669 L672 I675 I704 L709R601-V707 WeakPolarHBondContact O-CA 3.3Å; L602-V707 HydrophobicContact CD2-CB 4.27Å; L602-V707 HydrophobicContact CD2-CG1 3.58Å; L602-V707 HydrophobicContact CD2-CG2 3.75Å; T666-V707 HydrophobicContact CG2-CG2 4.48Å; V669-V707 HydrophobicContact CG1-CB 4.19Å; L672-V707 HydrophobicContact CD1-CB 4.4Å; L672-V707 HydrophobicContact CD1-CG2 3.85Å; I675-V707 HydrophobicContact CD1-CG1 4.17Å; I704-V707 HydrophobicContact CG2-CG2 3.66Å; V707-L709 HydrophobicContact CG1-CD1 4.3Å; V707-L709 HydrophobicContact CG1-CD2 3.44Å; V707-L709 VanDerWaalsContact CG1-CD2 3.44Å; V707-L709 HydrophobicContact CG1-CG 3.62Å
708T93.4Very high92.9Very high55 Ų5539.6 Ų39.634%0.33723%0.23SC..EExtended strand (participates in β ladder)trans-98.9125.4165.547.30000108.4N600 R601N600-T708 CarbonylContact C-O 3.59Å; N600-T708 WeakPolarHBondContact CA-O 3.46Å; R601-T708 WeakPolarHBondContact CB-OG1 3.45Å; R601-T708 WeakPolarHBondContact CD-OG1 3.43Å; R601-T708 WeakPolarHBondContact CG-OG1 3.48Å; R601-T708 PolarHBondContact N-O 3.48Å; R601-T708 PolarHBondContact N-OG1 3.24Å; R601-T708 PolarHBondContact O-N 2.88Å; R601-T708 PolarHBondContact O-OG1 2.91Å
709L92.7Very high92.8Very high33 Ų3342 Ų4217%0.17326%0.257CS..  trans-121.2142.5-177.9-65.3-180000110.5N600 I675 V707 I721N600-L709 HydrophobicContact CB-CD2 4.24Å; N600-L709 WeakPolarHBondContact OD1-CA 2.84Å; I675-L709 HydrophobicContact CD1-CD1 4.11Å; I675-L709 HydrophobicContact CD1-CD2 3.95Å; I675-L709 HydrophobicContact CG1-CD1 4.16Å; I675-L709 HydrophobicContact CG2-CD1 4.1Å; I675-L709 HydrophobicContact CG2-CD2 4.16Å; V707-L709 HydrophobicContact CG1-CD1 4.3Å; V707-L709 HydrophobicContact CG1-CD2 3.44Å; V707-L709 VanDerWaalsContact CG1-CD2 3.44Å; V707-L709 HydrophobicContact CG1-CG 3.62Å; L709-I721 HydrophobicContact CD2-CD1 4.26Å
710H93.1Very high92.7Very high39 Ų3943.9 Ų43.918%0.18126%0.264CS..  trans-59.7154.2168.1-166-91.8000110.2H599 N600 D712 H715 R716H599-H710 HydrophobicContact CB-CB 3.94Å; H599-H710 AromaticContact CD2-CD2 3.97Å; H599-H710 AromaticContact CG-CD2 3.58Å; H599-H710 AromaticContact ND1-CD2 3.9Å; N600-H710 PolarHBondContact OD1-N 3.09Å; H710-D712 IonicContact CE1-OD2 3.3Å; H710-D712 PolarHBondContact CE1-OD2 2.78Å; H710-D712 PolarHBondContact ND1-N 3.47Å; H710-D712 VanDerWaalsContact ND1-N 3.11Å; H710-H715 HydrophobicContact CB-CB 3.91Å; H710-H715 AromaticContact CE1-CD2 3.4Å; H710-H715 PolarHBondContact CE1-CD2 3.39Å; H710-H715 VanDerWaalsContact CE1-CD2 3.4Å; H710-H715 AromaticContact ND1-CD2 3.49Å; H710-H715 PolarHBondContact ND1-CD2 3.02Å; H710-H715 AromaticContact ND1-CG 3.86Å; H710-R716 HydrophobicContact CB-CG 4.42Å; H710-R716 WeakPolarHBondContact O-CD 3.46Å; H710-R716 PolarHBondContact O-NH1 3.14Å
711T87.3Confident92.6Very high92 Ų9243.9 Ų43.956%0.56426%0.264SS*.SBendtrans-74-29.6-178.251.10000113.9R716T711-R716 PolarHBondContact O-NH1 3.05Å
712D87.7Confident92.6Very high86 Ų8645.3 Ų45.346%0.4627%0.272SS..SBendtrans-96.1132.5179.1-53.4-34.1000113.1H710 I714 H715 R716H710-D712 IonicContact CE1-OD2 3.3Å; H710-D712 PolarHBondContact CE1-OD2 2.78Å; H710-D712 PolarHBondContact ND1-N 3.47Å; H710-D712 VanDerWaalsContact ND1-N 3.11Å; D712-I714 PolarHBondContact O-N 3.12Å; D712-H715 PolarHBondContact O-N 2.96Å; D712-H715 VanDerWaalsContact O-N 3.08Å; D712-R716 VanDerWaalsContact C-NH1 3.27Å
713A87.3Confident92.5Very high56 Ų5648 Ų4846%0.46329%0.29SS..G310 helixtrans-60.6-30.1-17800000113.8H715 R716 G717A713-H715 PolarHBondContact O-N 3.38Å; A713-R716 VanDerWaalsContact CA-CZ 3.46Å; A713-R716 PolarHBondContact O-N 3.29Å; A713-G717 PolarHBondContact O-N 2.96Å
714I87.8Confident92.4Very high152 Ų15248.1 Ų48.178%0.77929%0.29SS*.G310 helixtrans-58.7-33.4177.9-60.4173.1000110.9D712 R716D712-I714 PolarHBondContact O-N 3.12Å; I714-R716 VanDerWaalsContact C-N 3.32Å
715H88.7Confident92.4Very high77 Ų7748.1 Ų48.136%0.35629%0.29SS..G310 helixtrans-88.83.7178.6-63.4-59.3000113.7N597 N600 H710 D712 A713N597-H715 PolarHBondContact ND2-O 3.38Å; N600-H715 PolarHBondContact ND2-O 3.43Å; H710-H715 HydrophobicContact CB-CB 3.91Å; H710-H715 AromaticContact CE1-CD2 3.4Å; H710-H715 PolarHBondContact CE1-CD2 3.39Å; H710-H715 VanDerWaalsContact CE1-CD2 3.4Å; H710-H715 AromaticContact ND1-CD2 3.49Å; H710-H715 PolarHBondContact ND1-CD2 3.02Å; H710-H715 AromaticContact ND1-CG 3.86Å; D712-H715 PolarHBondContact O-N 2.96Å; D712-H715 VanDerWaalsContact O-N 3.08Å; A713-H715 PolarHBondContact O-N 3.38Å
716R89.1Confident92.4Very high14 Ų1447.9 Ų47.95%0.05329%0.287CS..G310 helixtrans-115.411.7178.2-57.5-171.1-66-96.84.8113.6E674 I675 H710 T711 D712 A713 I714 I721E674-R716 IonicContact OE1-NH2 3.63Å; E674-R716 IonicContact OE2-CZ 3.66Å; E674-R716 IonicContact OE2-NE 3.03Å; E674-R716 PolarHBondContact OE2-NE 3.43Å; E674-R716 IonicContact OE2-NH2 3.8Å; E674-R716 PolarHBondContact OE2-NH2 2.77Å; I675-R716 HydrophobicContact CG2-CB 4.13Å; H710-R716 HydrophobicContact CB-CG 4.42Å; H710-R716 WeakPolarHBondContact O-CD 3.46Å; H710-R716 PolarHBondContact O-NH1 3.14Å; T711-R716 PolarHBondContact O-NH1 3.05Å; D712-R716 VanDerWaalsContact C-NH1 3.27Å; A713-R716 VanDerWaalsContact CA-CZ 3.46Å; A713-R716 PolarHBondContact O-N 3.29Å; I714-R716 VanDerWaalsContact C-N 3.32Å; R716-I721 WeakPolarHBondContact O-CG1 3.34Å
717G89.5Confident92.5Very high33 Ų3348.5 Ų48.534%0.3429%0.286SS..SBendtrans-61.9164.4-178.400000113.9A713 G719 Q720 I721A713-G717 PolarHBondContact O-N 2.96Å; G717-G719 VanDerWaalsContact C-N 3.27Å; G717-G719 PolarHBondContact O-N 2.86Å; G717-G719 VanDerWaalsContact O-N 3.15Å; G717-Q720 WeakPolarHBondContact O-CB 3.5Å; G717-Q720 PolarHBondContact O-N 3.32Å; G717-I721 PolarHBondContact O-N 2.76Å
718G91.4Very high92.6Very high23 Ų2348.1 Ų48.124%0.23728%0.284CS..Hα-helixtrans-54.8-36.5-175.700000114.5S678 Q720 I721 I722S678-G718 WeakPolarHBondContact OG-CA 3.39Å; G718-Q720 PolarHBondContact O-N 3.42Å; G718-Q720 VanDerWaalsContact O-N 3.13Å; G718-I721 PolarHBondContact O-N 3.29Å; G718-I722 VanDerWaalsContact O-CB 3.24Å; G718-I722 WeakPolarHBondContact O-CB 3.42Å; G718-I722 VanDerWaalsContact O-CG1 3.25Å; G718-I722 WeakPolarHBondContact O-CG1 3.43Å; G718-I722 PolarHBondContact O-N 2.9Å
719G92.3Very high92.8Very high59 Ų5945.6 Ų45.661%0.60827%0.268SS*.Hα-helixtrans-63.7-16.2175.400000114.9G717G717-G719 VanDerWaalsContact C-N 3.27Å; G717-G719 PolarHBondContact O-N 2.86Å; G717-G719 VanDerWaalsContact O-N 3.15Å
720Q93.8Very high93.1Very high51 Ų5144.3 Ų44.324%0.23826%0.261CS..Hα-helixtrans-95.7-40.7174.3-59.5-59.4-49.600112G717 G718 T724G717-Q720 WeakPolarHBondContact O-CB 3.5Å; G717-Q720 PolarHBondContact O-N 3.32Å; G718-Q720 PolarHBondContact O-N 3.42Å; G718-Q720 VanDerWaalsContact O-N 3.13Å; Q720-T724 PolarHBondContact O-OG1 3.24Å
721I96.4Very high93.3Very high0 Ų042.4 Ų42.40%025%0.253CS..Hα-helixtrans-85.5-41.5-173-59.2-60.7000112.2N600 I675 M679 L709 R716 G717 G718 T724 A725N600-I721 HydrophobicContact CB-CD1 3.96Å; I675-I721 HydrophobicContact CB-CG1 4.35Å; I675-I721 HydrophobicContact CB-CG2 4.4Å; I675-I721 HydrophobicContact CG2-CD1 4.25Å; I675-I721 HydrophobicContact CG2-CG1 4.05Å; M679-I721 HydrophobicContact CG-CG2 3.95Å; M679-I721 HydrophobicContact SD-CG2 3.74Å; L709-I721 HydrophobicContact CD2-CD1 4.26Å; R716-I721 WeakPolarHBondContact O-CG1 3.34Å; G717-I721 PolarHBondContact O-N 2.76Å; G718-I721 PolarHBondContact O-N 3.29Å; I721-T724 PolarHBondContact O-N 2.98Å; I721-A725 WeakPolarHBondContact O-CB 3.42Å; I721-A725 PolarHBondContact O-N 2.88Å
722I96.2Very high93.7Very high42 Ų4238 Ų3822%0.21523%0.226CC..Hα-helixtrans-59-50.3-175.3-66.1166.2000111.7S678 A681 W685 G718 T724 A725 R726S678-I722 VanDerWaalsContact O-CG1 3.32Å; S678-I722 WeakPolarHBondContact O-CG1 3.49Å; A681-I722 HydrophobicContact CB-CD1 4.1Å; A681-I722 HydrophobicContact CB-CG1 4.21Å; W685-I722 HydrophobicContact CE3-CG2 3.94Å; W685-I722 HydrophobicContact CZ3-CG2 4.22Å; G718-I722 VanDerWaalsContact O-CB 3.24Å; G718-I722 WeakPolarHBondContact O-CB 3.42Å; G718-I722 VanDerWaalsContact O-CG1 3.25Å; G718-I722 WeakPolarHBondContact O-CG1 3.43Å; G718-I722 PolarHBondContact O-N 2.9Å; I722-T724 VanDerWaalsContact C-N 3.32Å; I722-T724 PolarHBondContact O-N 3.39Å; I722-A725 PolarHBondContact O-N 3.49Å; I722-R726 PolarHBondContact O-N 3Å
723P95.9Very high94.2Very high58 Ų5834 Ų3438%0.37720%0.204SC..Hα-helixtrans-66.4-34.4179.7-20.434.6000112.7R726 K727P723-R726 PolarHBondContact O-N 2.8Å; P723-K727 WeakPolarHBondContact O-CG 3.47Å; P723-K727 PolarHBondContact O-N 3.24Å
724T96.3Very high94.6Very high2 Ų232.7 Ų32.71%0.01219%0.189CC..Hα-helixtrans-69.8-41.6178.2-56.20000111.8S593 K594 S595 L602 Q720 I721 I722 K727 V728S593-T724 WeakPolarHBondContact O-CG2 3.46Å; K594-T724 PolarHBondContact O-OG1 3.19Å; S595-T724 WeakPolarHBondContact CA-OG1 3.41Å; S595-T724 PolarHBondContact N-OG1 3.32Å; L602-T724 HydrophobicContact CD1-CG2 3.84Å; L602-T724 HydrophobicContact CG-CG2 4.13Å; Q720-T724 PolarHBondContact O-OG1 3.24Å; I721-T724 PolarHBondContact O-N 2.98Å; I722-T724 VanDerWaalsContact C-N 3.32Å; I722-T724 PolarHBondContact O-N 3.39Å; T724-K727 PolarHBondContact O-N 2.79Å; T724-V728 WeakPolarHBondContact O-CG1 3.33Å; T724-V728 PolarHBondContact O-N 2.6Å
725A96.7Very high95Very high0 Ų025.9 Ų25.90%016%0.155CC..Hα-helixtrans-59.8-47.7172.900000110.4L602 M679 I721 I722 K727 V728 L729L602-A725 HydrophobicContact CD1-CB 3.98Å; M679-A725 HydrophobicContact CE-CB 4.17Å; M679-A725 HydrophobicContact SD-CB 3.67Å; I721-A725 WeakPolarHBondContact O-CB 3.42Å; I721-A725 PolarHBondContact O-N 2.88Å; I722-A725 PolarHBondContact O-N 3.49Å; A725-K727 PolarHBondContact O-N 3.08Å; A725-V728 VanDerWaalsContact O-CG1 3.28Å; A725-V728 WeakPolarHBondContact O-CG1 3.31Å; A725-V728 PolarHBondContact O-N 3.26Å; A725-L729 WeakPolarHBondContact O-CB 3.39Å; A725-L729 WeakPolarHBondContact O-CD1 3.36Å; A725-L729 WeakPolarHBondContact O-CG 3.24Å; A725-L729 PolarHBondContact O-N 3.36Å
726R95.8Very high95.3Very high57 Ų5722.2 Ų22.222%0.21514%0.138CC..Hα-helixtrans-58.7-46.6177.1-177.7174173.5-151.6-8.9112A686 E689 I722 P723 L729 Y730A686-R726 HydrophobicContact CB-CB 4.46Å; A686-R726 HydrophobicContact CB-CG 4.11Å; E689-R726 IonicContact OE2-CZ 3.08Å; E689-R726 IonicContact OE2-NE 3.3Å; E689-R726 PolarHBondContact OE2-NE 3.34Å; E689-R726 IonicContact OE2-NH1 3.9Å; E689-R726 IonicContact OE2-NH2 3.51Å; E689-R726 PolarHBondContact OE2-NH2 3.5Å; I722-R726 PolarHBondContact O-N 3Å; P723-R726 PolarHBondContact O-N 2.8Å; R726-L729 PolarHBondContact O-N 3.17Å; R726-Y730 HydrophobicContact CG-CD2 4.16Å; R726-Y730 HydrophobicContact CG-CE2 3.56Å; R726-Y730 PolarHBondContact NE-OH 3.48Å; R726-Y730 PolarHBondContact NH2-OH 2.75Å; R726-Y730 PolarHBondContact O-N 3.31Å; R726-Y730 VanDerWaalsContact O-N 3.14Å
727K96.4Very high95.6Very high82 Ų8224.8 Ų24.836%0.35715%0.15SC..Hα-helixtrans-59.4-50.9177-81.3-167.9156.7-158.50112.7S593 P723 T724 A725 L729 Y730 A731 N853 Y854S593-K727 WeakPolarHBondContact OG-CB 3.47Å; P723-K727 WeakPolarHBondContact O-CG 3.47Å; P723-K727 PolarHBondContact O-N 3.24Å; T724-K727 PolarHBondContact O-N 2.79Å; A725-K727 PolarHBondContact O-N 3.08Å; K727-L729 VanDerWaalsContact C-N 3.29Å; K727-L729 PolarHBondContact O-N 3.28Å; K727-Y730 PolarHBondContact O-N 2.78Å; K727-A731 PolarHBondContact O-N 3.09Å; K727-N853 PolarHBondContact NZ-O 3.3Å; K727-Y854 HydrophobicContact CG-CD1 4.22Å
728V97.4Very high95.9Very high0 Ų023.6 Ų23.60%014%0.137CC..Hα-helixtrans-65.1-35.7-177.471.20000111.5C591 L602 M604 T724 A725 Y730 A731 C732C591-V728 HydrophobicContact CB-CG2 3.94Å; C591-V728 WeakPolarHBondContact O-CG2 3.22Å; L602-V728 HydrophobicContact CB-CG1 4.06Å; L602-V728 HydrophobicContact CD1-CG1 4.19Å; M604-V728 HydrophobicContact CB-CG2 3.93Å; M604-V728 HydrophobicContact CG-CG1 4.01Å; M604-V728 HydrophobicContact CG-CG2 4.1Å; M604-V728 HydrophobicContact SD-CG1 3.41Å; M604-V728 WeakPolarHBondContact SD-CG1 3.32Å; T724-V728 WeakPolarHBondContact O-CG1 3.33Å; T724-V728 PolarHBondContact O-N 2.6Å; A725-V728 VanDerWaalsContact O-CG1 3.28Å; A725-V728 WeakPolarHBondContact O-CG1 3.31Å; A725-V728 PolarHBondContact O-N 3.26Å; V728-Y730 PolarHBondContact O-N 3.02Å; V728-A731 WeakPolarHBondContact O-CB 3.46Å; V728-A731 PolarHBondContact O-N 3.45Å; V728-C732 PolarHBondContact O-N 3.26Å; V728-C732 PolarHBondContact O-SG 2.85Å
729L97.8Very high96.1Very high1 Ų124.2 Ų24.21%0.00513%0.132CC..Hα-helixtrans-62.6-42.4175.6-69.6166000112M604 F683 A686 F702 A725 R726 K727 C732 Q733M604-L729 HydrophobicContact CE-CD2 3.61Å; M604-L729 HydrophobicContact CE-CG 4.49Å; M604-L729 HydrophobicContact SD-CD2 4.27Å; F683-L729 HydrophobicContact CB-CD1 4.08Å; F683-L729 HydrophobicContact CD2-CD1 4.05Å; F683-L729 HydrophobicContact CD2-CD2 4.14Å; A686-L729 HydrophobicContact CB-CB 4.04Å; A686-L729 HydrophobicContact CB-CD1 3.57Å; A686-L729 HydrophobicContact CB-CG 4.46Å; F702-L729 HydrophobicContact CB-CD2 3.87Å; F702-L729 HydrophobicContact CD1-CD2 3.23Å; F702-L729 HydrophobicContact CD1-CG 4.47Å; F702-L729 HydrophobicContact CD2-CD2 4.07Å; F702-L729 HydrophobicContact CE1-CB 4.19Å; F702-L729 HydrophobicContact CE1-CD2 3.63Å; F702-L729 WeakPolarHBondContact CE1-O 3.1Å; F702-L729 HydrophobicContact CE2-CD2 4.37Å; F702-L729 HydrophobicContact CG-CD2 3.45Å; F702-L729 VanDerWaalsContact CG-CD2 3.45Å; F702-L729 HydrophobicContact CZ-CD2 4.17Å; A725-L729 WeakPolarHBondContact O-CB 3.39Å; A725-L729 WeakPolarHBondContact O-CD1 3.36Å; A725-L729 WeakPolarHBondContact O-CG 3.24Å; A725-L729 PolarHBondContact O-N 3.36Å; R726-L729 PolarHBondContact O-N 3.17Å; K727-L729 VanDerWaalsContact C-N 3.29Å; K727-L729 PolarHBondContact O-N 3.28Å; L729-C732 WeakPolarHBondContact O-CB 3.31Å; L729-C732 PolarHBondContact O-N 2.83Å; L729-Q733 PolarHBondContact O-N 2.83Å
730Y97.6Very high96.3Very high6 Ų621.4 Ų21.42%0.02410%0.103CC..Hα-helixtrans-66.1-39.1173.8-65.9-26.8000112.6A686 E689 G690 A691 M697 R726 K727 V728 C732 Q733 L734 Y854A686-Y730 HydrophobicContact CB-CE1 4.17Å; E689-Y730 WeakPolarHBondContact CB-OH 3.38Å; E689-Y730 PolarHBondContact OE2-OH 2.52Å; G690-Y730 VanDerWaalsContact O-CE1 3.3Å; G690-Y730 WeakPolarHBondContact O-CE1 3.45Å; A691-Y730 HydrophobicContact CB-CD1 3.74Å; A691-Y730 HydrophobicContact CB-CE1 4.48Å; A691-Y730 HydrophobicContact CB-CG 3.92Å; M697-Y730 HydrophobicContact CE-CD1 3.86Å; M697-Y730 HydrophobicContact CE-CE1 3.95Å; R726-Y730 HydrophobicContact CG-CD2 4.16Å; R726-Y730 HydrophobicContact CG-CE2 3.56Å; R726-Y730 PolarHBondContact NE-OH 3.48Å; R726-Y730 PolarHBondContact NH2-OH 2.75Å; R726-Y730 PolarHBondContact O-N 3.31Å; R726-Y730 VanDerWaalsContact O-N 3.14Å; K727-Y730 PolarHBondContact O-N 2.78Å; V728-Y730 PolarHBondContact O-N 3.02Å; Y730-C732 VanDerWaalsContact C-N 3.33Å; Y730-C732 PolarHBondContact O-N 3.06Å; Y730-Q733 PolarHBondContact O-N 2.79Å; Y730-L734 WeakPolarHBondContact O-CG 3.49Å; Y730-L734 PolarHBondContact O-N 2.9Å; Y730-Y854 HydrophobicContact CD2-CD1 4.02Å; Y730-Y854 AromaticContact CD2-CE1 3.59Å; Y730-Y854 HydrophobicContact CD2-CE1 3.59Å; Y730-Y854 AromaticContact CD2-CZ 3.94Å; Y730-Y854 HydrophobicContact CE2-CE1 4.42Å; Y730-Y854 HydrophobicContact CG-CE1 4.39Å
731A97.1Very high96.3Very high0 Ų019.7 Ų19.70%010%0.095CC..Hα-helixtrans-60.8-43173.500000111.6C591 K727 V728 L734 T735 L851 L855C591-A731 HydrophobicContact CB-CB 3.93Å; C591-A731 PolarHBondContact SG-O 3.36Å; K727-A731 PolarHBondContact O-N 3.09Å; V728-A731 WeakPolarHBondContact O-CB 3.46Å; V728-A731 PolarHBondContact O-N 3.45Å; A731-L734 PolarHBondContact O-N 2.98Å; A731-T735 WeakPolarHBondContact O-CG2 2.97Å; A731-T735 PolarHBondContact O-N 2.82Å; A731-T735 VanDerWaalsContact O-N 3.1Å; A731-T735 PolarHBondContact O-OG1 2.95Å; A731-L851 HydrophobicContact CB-CD1 3.99Å; A731-L855 HydrophobicContact CB-CB 4.43Å; A731-L855 HydrophobicContact CB-CD1 4.48Å
732C97.6Very high96.1Very high0 Ų019.8 Ų19.80%010%0.095CC..Hα-helixtrans-59.2-47.9175-67.80000111.5S587 C591 M604 S606 F702 V728 L729 Y730 L734 T735 A736S587-C732 PolarHBondContact OG-O 3.28Å; S587-C732 VanDerWaalsContact OG-O 3.06Å; C591-C732 VanDerWaalsContact CB-SG 3.58Å; C591-C732 PolarHBondContact SG-N 3.28Å; M604-C732 VanDerWaalsContact CB-SG 3.55Å; M604-C732 PolarHBondContact O-SG 2.9Å; S606-C732 WeakPolarHBondContact OG-CB 3.29Å; S606-C732 PolarHBondContact OG-O 2.86Å; F702-C732 HydrophobicContact CD1-CB 4.07Å; F702-C732 HydrophobicContact CE1-CB 3.91Å; V728-C732 PolarHBondContact O-N 3.26Å; V728-C732 PolarHBondContact O-SG 2.85Å; L729-C732 WeakPolarHBondContact O-CB 3.31Å; L729-C732 PolarHBondContact O-N 2.83Å; Y730-C732 VanDerWaalsContact C-N 3.33Å; Y730-C732 PolarHBondContact O-N 3.06Å; C732-L734 PolarHBondContact O-N 3.43Å; C732-T735 WeakPolarHBondContact CA-OG1 3.24Å; C732-T735 PolarHBondContact O-N 3.4Å; C732-T735 PolarHBondContact O-OG1 2.91Å; C732-A736 VanDerWaalsContact O-CB 3.24Å; C732-A736 WeakPolarHBondContact O-CB 3.49Å; C732-A736 PolarHBondContact O-N 2.81Å
733Q96.6Very high95.8Very high0 Ų017.8 Ų17.80%09%0.085CC..Hα-helixtrans-60-45.7179.6-172.1-167.60.200112E581 V583 M697 I700 L729 Y730 T735 A736 P738E581-Q733 PolarHBondContact OE2-NE2 3.18Å; V583-Q733 HydrophobicContact CG1-CG 3.91Å; M697-Q733 VanDerWaalsContact CE-OE1 3.26Å; I700-Q733 HydrophobicContact CD1-CG 4.33Å; L729-Q733 PolarHBondContact O-N 2.83Å; Y730-Q733 PolarHBondContact O-N 2.79Å; Q733-T735 VanDerWaalsContact C-N 3.29Å; Q733-T735 PolarHBondContact O-N 3.27Å; Q733-A736 PolarHBondContact O-N 3.38Å; Q733-P738 HydrophobicContact CG-CB 4.35Å
734L95.9Very high95.6Very high29 Ų2915 Ų1515%0.1527%0.067CC..Hα-helixtrans-67.9-27.8-178.7-68.5175.6000113.2A691 L692 Y730 A731 C732 P738 I848 P849 L851 Y854A691-L734 HydrophobicContact CB-CD2 4.17Å; A691-L734 HydrophobicContact CB-CG 4.13Å; L692-L734 HydrophobicContact CD2-CD2 4.21Å; Y730-L734 WeakPolarHBondContact O-CG 3.49Å; Y730-L734 PolarHBondContact O-N 2.9Å; A731-L734 PolarHBondContact O-N 2.98Å; C732-L734 PolarHBondContact O-N 3.43Å; L734-P738 HydrophobicContact CD2-CG 4.43Å; L734-I848 HydrophobicContact CD2-CG2 4.07Å; L734-P849 WeakPolarHBondContact CD1-O 3.16Å; L734-L851 HydrophobicContact CB-CD1 4.24Å; L734-Y854 HydrophobicContact CD1-CD2 3.69Å; L734-Y854 HydrophobicContact CD1-CE2 3.84Å
735T96.3Very high95.2Very high9 Ų915.5 Ų15.56%0.0557%0.069CC..Hα-helixtrans-86.2-8.9177.749.50000113.7S587 D588 Q589 C591 A731 C732 Q733 L851S587-T735 WeakPolarHBondContact CA-O 3.38Å; S587-T735 WeakPolarHBondContact CB-OG1 3.47Å; S587-T735 PolarHBondContact OG-OG1 3.24Å; D588-T735 PolarHBondContact N-O 3Å; D588-T735 VanDerWaalsContact N-O 3.12Å; D588-T735 VanDerWaalsContact OD1-CB 3.29Å; D588-T735 WeakPolarHBondContact OD1-CB 3.39Å; Q589-T735 HydrophobicContact CG-CG2 4.05Å; C591-T735 PolarHBondContact SG-OG1 2.9Å; A731-T735 WeakPolarHBondContact O-CG2 2.97Å; A731-T735 PolarHBondContact O-N 2.82Å; A731-T735 VanDerWaalsContact O-N 3.1Å; A731-T735 PolarHBondContact O-OG1 2.95Å; C732-T735 WeakPolarHBondContact CA-OG1 3.24Å; C732-T735 PolarHBondContact O-N 3.4Å; C732-T735 PolarHBondContact O-OG1 2.91Å; Q733-T735 VanDerWaalsContact C-N 3.29Å; Q733-T735 PolarHBondContact O-N 3.27Å; T735-L851 HydrophobicContact CG2-CD1 3.8Å; T735-L851 HydrophobicContact CG2-CD2 3.64Å; T735-L851 HydrophobicContact CG2-CG 4.39Å
736A96.4Very high94.7Very high0 Ų017.1 Ų17.10%08%0.077CC..SBendtrans-102.125.7-174.800000113.3V583 T584 E585 S606 C732 Q733V583-A736 HydrophobicContact CB-CB 3.79Å; V583-A736 WeakPolarHBondContact CB-O 3.26Å; V583-A736 HydrophobicContact CG1-CB 3.66Å; V583-A736 HydrophobicContact CG2-CB 4.35Å; T584-A736 PolarHBondContact N-O 3.15Å; E585-A736 PolarHBondContact N-O 2.99Å; E585-A736 WeakPolarHBondContact O-CB 3.27Å; S606-A736 VanDerWaalsContact OG-CB 3.3Å; S606-A736 WeakPolarHBondContact OG-CB 3.01Å; C732-A736 VanDerWaalsContact O-CB 3.24Å; C732-A736 WeakPolarHBondContact O-CB 3.49Å; C732-A736 PolarHBondContact O-N 2.81Å; Q733-A736 PolarHBondContact O-N 3.38Å
737Q94.8Very high94.3Very high69 Ų6914.4 Ų14.432%0.3227%0.067SC..  trans51.574.8-173.4-60.2-168.314.700112.6T584 E585T584-Q737 PolarHBondContact N-O 2.97Å; T584-Q737 PolarHBondContact OG1-O 3.34Å; E585-Q737 HydrophobicContact CB-CG 4.34Å; E585-Q737 HydrophobicContact CG-CG 4.43Å; E585-Q737 PolarHBondContact OE1-NE2 3.32Å; E585-Q737 PolarHBondContact OE2-NE2 2.98Å
738P95.8Very high93.7Very high8 Ų811.1 Ų11.15%0.0525%0.053CC..EExtended strand (participates in β ladder)trans-65.8146.7-17630.6-37.2000111.7T582 L692 Q733 L734 P824T582-P738 CarbonylContact O-C 3.58Å; T582-P738 VanDerWaalsContact O-CA 3.31Å; T582-P738 WeakPolarHBondContact O-CA 3.36Å; L692-P738 HydrophobicContact CD1-CB 4.1Å; L692-P738 HydrophobicContact CD2-CB 4.01Å; L692-P738 HydrophobicContact CD2-CG 3.92Å; L692-P738 HydrophobicContact CG-CB 4.22Å; Q733-P738 HydrophobicContact CG-CB 4.35Å; L734-P738 HydrophobicContact CD2-CG 4.43Å; P738-P824 VanDerWaalsContact O-CD 3.3Å; P738-P824 WeakPolarHBondContact O-CD 3.43Å; P738-P824 WeakPolarHBondContact O-CG 3.26Å
739R96.2Very high93.1Very high36 Ų3611.1 Ų11.114%0.1365%0.053CC..EExtended strand (participates in β ladder)trans-133.4155.5176.2-63.2-64176.1-110.45.7111T582 T584 I819 D823T582-R739 HydrophobicContact CG2-CB 3.91Å; T582-R739 PolarHBondContact N-O 3.24Å; T582-R739 PolarHBondContact O-N 2.78Å; T584-R739 HydrophobicContact CG2-CB 4.43Å; T584-R739 HydrophobicContact CG2-CG 3.47Å; T584-R739 VanDerWaalsContact CG2-CG 3.47Å; R739-I819 HydrophobicContact CB-CG2 4.05Å; R739-I819 HydrophobicContact CG-CG2 4.25Å; R739-D823 IonicContact CZ-OD2 3.61Å; R739-D823 IonicContact NH1-OD1 3.06Å; R739-D823 IonicContact NH1-OD2 3.32Å; R739-D823 PolarHBondContact NH1-OD2 3.19Å; R739-D823 IonicContact NH2-OD2 2.68Å; R739-D823 PolarHBondContact NH2-OD2 2.86Å
740L94.8Very high92.2Very high0 Ų012.4 Ų12.40%06%0.059CC..EExtended strand (participates in β ladder)trans-97137.4172-161.471.8000109.3Y579 E581 L820 V834 V835Y579-L740 HydrophobicContact CD1-CD2 3.63Å; Y579-L740 HydrophobicContact CD1-CG 3.91Å; Y579-L740 HydrophobicContact CE1-CD2 4.15Å; Y579-L740 HydrophobicContact CG-CD1 4.41Å; Y579-L740 HydrophobicContact CG-CD2 3.91Å; Y579-L740 HydrophobicContact CG-CG 4.15Å; E581-L740 HydrophobicContact CG-CD1 4.48Å; L740-L820 HydrophobicContact CD2-CD2 4.2Å; L740-L820 WeakPolarHBondContact O-CB 3.39Å; L740-L820 PolarHBondContact O-N 3.4Å; L740-V834 HydrophobicContact CD2-CB 4.13Å; L740-V834 HydrophobicContact CD2-CG1 3.66Å; L740-V835 HydrophobicContact CD1-CG2 4.37Å; L740-V835 HydrophobicContact CD2-CG2 4.29Å
741M93.9Very high91.3Very high14 Ų1412.1 Ų12.17%0.0696%0.058CC..EExtended strand (participates in β ladder)trans-107.4130.5172.6-52.2-178.980.900110.2Y579 R580 T582 R698 W817 Q818 I819Y579-M741 WeakPolarHBondContact CA-O 3.24Å; Y579-M741 WeakPolarHBondContact CD1-O 3.39Å; R580-M741 HydrophobicContact CB-CB 4.2Å; R580-M741 PolarHBondContact N-O 2.78Å; R580-M741 VanDerWaalsContact N-O 3.09Å; R580-M741 PolarHBondContact O-N 3.1Å; T582-M741 HydrophobicContact CG2-CG 3.55Å; T582-M741 HydrophobicContact CG2-SD 3.8Å; R698-M741 HydrophobicContact CB-SD 4.35Å; R698-M741 HydrophobicContact CG-SD 4.3Å; M741-W817 HydrophobicContact CB-CB 4.36Å; M741-W817 HydrophobicContact CB-CE3 4.38Å; M741-W817 HydrophobicContact CE-CB 3.57Å; M741-W817 WeakPolarHBondContact CE-O 3.45Å; M741-W817 HydrophobicContact SD-CB 4.23Å; M741-Q818 CarbonylContact C-O 3.57Å; M741-Q818 WeakPolarHBondContact CA-O 3.47Å; M741-Q818 WeakPolarHBondContact CB-O 3.45Å; M741-I819 HydrophobicContact CE-CG1 4.39Å; M741-I819 HydrophobicContact CG-CG1 4.31Å
742E91.8Very high90.3Very high3 Ų313.6 Ų13.61%0.0147%0.068CC..EExtended strand (participates in β ladder)trans-94144.8170.168.1-179.6162.400110.7Y579 R767 Q818 L820Y579-E742 HydrophobicContact CD1-CB 4.12Å; Y579-E742 HydrophobicContact CE1-CB 3.84Å; E742-R767 IonicContact OE1-CZ 3.45Å; E742-R767 IonicContact OE1-NH1 2.78Å; E742-R767 PolarHBondContact OE1-NH1 3.19Å; E742-R767 IonicContact OE1-NH2 3.43Å; E742-R767 PolarHBondContact OE1-NH2 3.12Å; E742-R767 IonicContact OE2-CZ 3.79Å; E742-R767 IonicContact OE2-NH1 2.86Å; E742-R767 IonicContact OE2-NH2 3.37Å; E742-R767 PolarHBondContact OE2-NH2 3.2Å; E742-Q818 PolarHBondContact N-O 3.4Å; E742-Q818 PolarHBondContact O-N 2.81Å; E742-L820 VanDerWaalsContact CD-CD1 3.5Å; E742-L820 HydrophobicContact CG-CD1 4.24Å
743P90.4Very high89.5Confident0 Ų019.5 Ų19.50%010%0.095CC..EExtended strand (participates in β ladder)trans-75.7145171.928.1-27.1000110.1V504 V577 S578 V790 F814 W817V504-P743 HydrophobicContact CB-CG 4.43Å; V504-P743 HydrophobicContact CG1-CB 4.19Å; V577-P743 HydrophobicContact CB-CG 4.36Å; S578-P743 WeakPolarHBondContact O-CD 3.25Å; S578-P743 WeakPolarHBondContact O-CG 3.08Å; P743-V790 HydrophobicContact CB-CB 4.44Å; P743-V790 HydrophobicContact CB-CG2 3.8Å; P743-V790 HydrophobicContact CG-CB 3.96Å; P743-V790 HydrophobicContact CG-CG2 3.87Å; P743-V790 WeakPolarHBondContact O-CG2 3.32Å; P743-V790 PolarHBondContact O-N 3.25Å; P743-F814 HydrophobicContact CB-CD2 4.16Å; P743-F814 HydrophobicContact CB-CE2 3.71Å; P743-W817 HydrophobicContact CB-CE3 3.97Å; P743-W817 HydrophobicContact CB-CH2 4.04Å; P743-W817 HydrophobicContact CB-CZ3 3.68Å; P743-W817 HydrophobicContact CG-CH2 4.32Å; P743-W817 HydrophobicContact CG-CZ3 3.89Å
744V91.1Very high88.7Confident0 Ų028.1 Ų28.10%014%0.135CC..EExtended strand (participates in β ladder)trans-124.9135.1-178.6-179.90000110.2Y787 D815 H816 Q818V744-Y787 HydrophobicContact CG1-CD1 4.18Å; V744-Y787 HydrophobicContact CG1-CG 4.31Å; V744-D815 PolarHBondContact O-N 3.31Å; V744-H816 PolarHBondContact N-O 3.23Å; V744-Q818 HydrophobicContact CG2-CB 3.55Å
745Y88.1Confident88.2Confident12 Ų1227.6 Ų27.65%0.04713%0.134CC..EExtended strand (participates in β ladder)trans-89.5138169.8-68.4-36.6000111.3V504 A549 Y787 L788 V790 S793 C812 V813 F814V504-Y745 HydrophobicContact CG2-CE1 4.16Å; V504-Y745 WeakPolarHBondContact CG2-OH 3.48Å; A549-Y745 PolarHBondContact O-OH 2.84Å; Y745-Y787 CarbonylContact O-C 3.52Å; Y745-Y787 WeakPolarHBondContact O-CA 3.36Å; Y745-L788 PolarHBondContact N-O 3.22Å; Y745-L788 PolarHBondContact O-N 3.21Å; Y745-V790 HydrophobicContact CD1-CG2 3.71Å; Y745-V790 HydrophobicContact CD2-CB 4.38Å; Y745-V790 HydrophobicContact CD2-CG1 4.45Å; Y745-V790 HydrophobicContact CD2-CG2 3.83Å; Y745-V790 HydrophobicContact CE1-CG1 4.37Å; Y745-V790 HydrophobicContact CE1-CG2 3.54Å; Y745-V790 HydrophobicContact CE2-CB 4.03Å; Y745-V790 HydrophobicContact CE2-CG1 3.63Å; Y745-V790 HydrophobicContact CE2-CG2 3.69Å; Y745-V790 HydrophobicContact CG-CG2 3.84Å; Y745-V790 WeakPolarHBondContact OH-CG1 3.33Å; Y745-S793 WeakPolarHBondContact CE2-OG 3.42Å; Y745-C812 HydrophobicContact CD1-CB 4.46Å; Y745-C812 HydrophobicContact CD2-CB 3.62Å; Y745-C812 HydrophobicContact CE2-CB 4.14Å; Y745-C812 HydrophobicContact CG-CB 3.81Å; Y745-V813 CarbonylContact C-O 3.52Å; Y745-V813 VanDerWaalsContact CA-O 3.22Å; Y745-V813 WeakPolarHBondContact CA-O 3.49Å; Y745-F814 HydrophobicContact CD1-CB 4.36Å; Y745-F814 HydrophobicContact CE1-CB 4.29Å
746L86.9Confident87.7Confident34 Ų3427.8 Ų27.818%0.17813%0.134CC..EExtended strand (participates in β ladder)trans-76.8119.6152.4175.262.8000107.3V137 F771 K785 Y787 C812 V813 D815V137-L746 HydrophobicContact CG1-CD2 4.41Å; L746-F771 HydrophobicContact CD1-CE1 3.76Å; L746-F771 HydrophobicContact CD1-CZ 3.54Å; L746-K785 HydrophobicContact CD1-CB 4.27Å; L746-Y787 HydrophobicContact CD1-CE1 4.32Å; L746-C812 WeakPolarHBondContact O-CA 3.23Å; L746-V813 PolarHBondContact N-O 3.04Å; L746-V813 PolarHBondContact O-N 2.77Å; L746-D815 HydrophobicContact CB-CB 3.78Å
747V87.6Confident87.3Confident0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-106119.2177-171.60000108.5I749 K785 A786 L788 F796 P810 Q811V747-I749 HydrophobicContact CG1-CD1 3.95Å; V747-I749 HydrophobicContact CG1-CG1 3.65Å; V747-K785 CarbonylContact O-C 3.46Å; V747-K785 VanDerWaalsContact O-CA 3.29Å; V747-K785 WeakPolarHBondContact O-CA 3.36Å; V747-A786 PolarHBondContact N-O 3.35Å; V747-A786 PolarHBondContact O-N 3.48Å; V747-L788 HydrophobicContact CG2-CB 3.44Å; V747-L788 VanDerWaalsContact CG2-CB 3.44Å; V747-L788 HydrophobicContact CG2-CD2 3.87Å; V747-L788 HydrophobicContact CG2-CG 4.3Å; V747-F796 HydrophobicContact CG1-CE1 3.65Å; V747-F796 HydrophobicContact CG1-CZ 4.06Å; V747-P810 HydrophobicContact CG1-CB 4.2Å; V747-Q811 CarbonylContact C-O 3.59Å; V747-Q811 VanDerWaalsContact CA-O 3.25Å; V747-Q811 WeakPolarHBondContact CA-O 3.47Å
748E84.2Confident87Confident13 Ų1328.3 Ų28.36%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-102.4128.5166.7-174.4174.511000109V137 Q750 V783 P810 Q811V137-E748 HydrophobicContact CG1-CB 4.3Å; V137-E748 WeakPolarHBondContact CG1-OE2 3.32Å; V137-E748 HydrophobicContact CG2-CB 3.69Å; V137-E748 HydrophobicContact CG2-CG 4.22Å; E748-Q750 PolarHBondContact OE1-NE2 3.18Å; E748-V783 HydrophobicContact CG-CG1 3.54Å; E748-P810 CarbonylContact O-C 3.47Å; E748-Q811 PolarHBondContact N-O 2.96Å; E748-Q811 PolarHBondContact O-N 3.32Å
749I85Confident86.7Confident0 Ų028 Ų280%016%0.156CC..EExtended strand (participates in β ladder)trans-124.2119.3-179.3-50.4172.9000108.6V747 I759 L763 V783 V784 F796 L800 A808 P810V747-I749 HydrophobicContact CG1-CD1 3.95Å; V747-I749 HydrophobicContact CG1-CG1 3.65Å; I749-I759 HydrophobicContact CB-CD1 4.34Å; I749-I759 HydrophobicContact CD1-CG2 3.46Å; I749-I759 VanDerWaalsContact CD1-CG2 3.46Å; I749-I759 HydrophobicContact CG2-CD1 3.6Å; I749-I759 HydrophobicContact CG2-CG1 4.28Å; I749-L763 HydrophobicContact CD1-CD1 4.24Å; I749-V783 WeakPolarHBondContact O-CA 3.42Å; I749-V784 HydrophobicContact CB-CB 4.44Å; I749-V784 PolarHBondContact N-O 3.17Å; I749-V784 PolarHBondContact O-N 3.48Å; I749-F796 HydrophobicContact CD1-CZ 3.94Å; I749-L800 HydrophobicContact CD1-CD1 4.46Å; I749-L800 HydrophobicContact CD1-CD2 4.08Å; I749-L800 HydrophobicContact CG1-CD2 4.41Å; I749-L800 HydrophobicContact CG2-CD2 3.92Å; I749-A808 HydrophobicContact CG2-CB 3.85Å; I749-P810 HydrophobicContact CG1-CB 4.22Å
750Q77.8Confident86.5Confident27 Ų2730 Ų3013%0.12616%0.164CC..EExtended strand (participates in β ladder)trans-95.8129.6172-68.1-179.216.700109.9C136 E748 M781 F782 V783 A808 F809C136-Q750 PolarHBondContact SG-NE2 2.77Å; E748-Q750 PolarHBondContact OE1-NE2 3.18Å; Q750-M781 HydrophobicContact CB-CE 4.11Å; Q750-F782 WeakPolarHBondContact CA-O 3.43Å; Q750-V783 HydrophobicContact CG-CG2 4.29Å; Q750-A808 WeakPolarHBondContact O-CA 3.46Å; Q750-F809 PolarHBondContact N-O 3.17Å; Q750-F809 PolarHBondContact O-N 3.44Å
751C78.8Confident86.3Confident0 Ų032.1 Ų32.10%019%0.186CC..EExtended strand (participates in β ladder)trans-157.1160.5-178.763.50000112.8V755 I759 M781 F782 A808C751-V755 HydrophobicContact CB-CG2 3.55Å; C751-I759 HydrophobicContact CB-CD1 3.76Å; C751-I759 WeakPolarHBondContact SG-CD1 3.14Å; C751-M781 CarbonylContact O-C 3.51Å; C751-M781 WeakPolarHBondContact O-CA 3.4Å; C751-F782 PolarHBondContact N-O 3.37Å; C751-F782 PolarHBondContact O-N 3.3Å; C751-A808 HydrophobicContact CB-CB 4.03Å
752P76.9Confident86.3Confident32 Ų3231.7 Ų31.721%0.20819%0.185CC..EExtended strand (participates in β ladder)trans-67.6152.3163.3-19.832.9000111.9Q754 V755 M781 Q807P752-Q754 PolarHBondContact O-N 2.99Å; P752-V755 WeakPolarHBondContact O-CG2 3.45Å; P752-V755 PolarHBondContact O-N 2.91Å; P752-V755 VanDerWaalsContact O-N 3.16Å; P752-M781 HydrophobicContact CG-SD 4.15Å; P752-Q807 WeakPolarHBondContact CD-O 3.47Å; P752-Q807 HydrophobicContact CG-CB 4.38Å
753E79.3Confident86.3Confident123 Ų12331.6 Ų31.658%0.57518%0.184SC*.G310 helixtrans-48.1-40.1177.8-167.6176.9173.200113.6V755 V756 P780 F782E753-V755 PolarHBondContact O-N 3.12Å; E753-V755 VanDerWaalsContact O-N 3.11Å; E753-V756 WeakPolarHBondContact O-CG2 3.08Å; E753-V756 PolarHBondContact O-N 2.77Å; E753-P780 PolarHBondContact N-O 2.8Å; E753-F782 HydrophobicContact CB-CD2 3.74Å; E753-F782 HydrophobicContact CB-CE2 3.43Å; E753-F782 VanDerWaalsContact CB-CE2 3.43Å; E753-F782 HydrophobicContact CB-CZ 4.26Å; E753-F782 HydrophobicContact CG-CD2 4.15Å; E753-F782 HydrophobicContact CG-CE2 3.48Å; E753-F782 VanDerWaalsContact CG-CE2 3.48Å; E753-F782 HydrophobicContact CG-CZ 3.79Å
754Q80.4Confident86.4Confident181 Ų18136.9 Ų36.985%0.84621%0.213SC*.G310 helixtrans-62.5-23.2-173.3-61.9176.72.100114P752P752-Q754 PolarHBondContact O-N 2.99Å
755V85.3Confident86.5Confident19 Ų1945 Ų4512%0.11525%0.248CC..G310 helixtrans-106.80.8-175.2-560000113.5C751 P752 E753 G757 G758 I759 T804 Q807C751-V755 HydrophobicContact CB-CG2 3.55Å; P752-V755 WeakPolarHBondContact O-CG2 3.45Å; P752-V755 PolarHBondContact O-N 2.91Å; P752-V755 VanDerWaalsContact O-N 3.16Å; E753-V755 PolarHBondContact O-N 3.12Å; E753-V755 VanDerWaalsContact O-N 3.11Å; V755-G757 VanDerWaalsContact C-N 3.25Å; V755-G757 PolarHBondContact O-N 3.11Å; V755-G758 PolarHBondContact O-N 2.79Å; V755-I759 PolarHBondContact O-N 3.04Å; V755-T804 HydrophobicContact CB-CG2 4.41Å; V755-Q807 HydrophobicContact CG1-CB 4.28Å; V755-Q807 HydrophobicContact CG2-CB 4.3Å
756V86.8Confident86.7Confident12 Ų1245.6 Ų45.67%0.07325%0.251CS..Hα-helixtrans-56.1-40.6179.2174.20000111.2E753 G758 I759 Y760 F782 V784E753-V756 WeakPolarHBondContact O-CG2 3.08Å; E753-V756 PolarHBondContact O-N 2.77Å; V756-G758 VanDerWaalsContact C-N 3.27Å; V756-G758 PolarHBondContact O-N 2.93Å; V756-I759 VanDerWaalsContact O-CB 3.31Å; V756-I759 WeakPolarHBondContact O-CB 3.46Å; V756-I759 PolarHBondContact O-N 3.29Å; V756-Y760 HydrophobicContact CG1-CD2 3.82Å; V756-Y760 HydrophobicContact CG1-CE2 3.55Å; V756-Y760 WeakPolarHBondContact O-CD2 3.35Å; V756-Y760 PolarHBondContact O-N 3.49Å; V756-F782 HydrophobicContact CG2-CB 4.11Å; V756-F782 HydrophobicContact CG2-CG 4.25Å; V756-V784 HydrophobicContact CG1-CG2 4.43Å
757G87.7Confident87Confident59 Ų5948 Ų4861%0.60826%0.258SS*.Hα-helixtrans-58.3-35.617600000113.9V755 I759 G761V755-G757 VanDerWaalsContact C-N 3.25Å; V755-G757 PolarHBondContact O-N 3.11Å; G757-I759 VanDerWaalsContact C-N 3.33Å; G757-G761 PolarHBondContact O-N 3.45Å
758G88.3Confident87.2Confident22 Ų2248.4 Ų48.423%0.22726%0.261CS..Hα-helixtrans-66.4-34.717500000112.6V755 V756 G761 V762V755-G758 PolarHBondContact O-N 2.79Å; V756-G758 VanDerWaalsContact C-N 3.27Å; V756-G758 PolarHBondContact O-N 2.93Å; G758-G761 PolarHBondContact O-N 3.14Å; G758-V762 WeakPolarHBondContact O-CG2 3.47Å; G758-V762 PolarHBondContact O-N 3.32Å
759I89.5Confident87.7Confident0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-65.3-49.3177.3-60.9173.7000110.8I749 C751 V755 V756 G757 G761 V762 L763 V784 L800 T804 A808I749-I759 HydrophobicContact CB-CD1 4.34Å; I749-I759 HydrophobicContact CD1-CG2 3.46Å; I749-I759 VanDerWaalsContact CD1-CG2 3.46Å; I749-I759 HydrophobicContact CG2-CD1 3.6Å; I749-I759 HydrophobicContact CG2-CG1 4.28Å; C751-I759 HydrophobicContact CB-CD1 3.76Å; C751-I759 WeakPolarHBondContact SG-CD1 3.14Å; V755-I759 PolarHBondContact O-N 3.04Å; V756-I759 VanDerWaalsContact O-CB 3.31Å; V756-I759 WeakPolarHBondContact O-CB 3.46Å; V756-I759 PolarHBondContact O-N 3.29Å; G757-I759 VanDerWaalsContact C-N 3.33Å; I759-G761 VanDerWaalsContact C-N 3.26Å; I759-G761 PolarHBondContact O-N 3.2Å; I759-V762 PolarHBondContact O-N 3.4Å; I759-V762 VanDerWaalsContact O-N 3.14Å; I759-L763 HydrophobicContact CG2-CD1 3.7Å; I759-L763 HydrophobicContact CG2-CG 4.22Å; I759-L763 PolarHBondContact O-N 3.11Å; I759-V784 HydrophobicContact CD1-CG2 4.35Å; I759-V784 HydrophobicContact CG2-CG1 4.34Å; I759-L800 HydrophobicContact CB-CD1 4.35Å; I759-L800 HydrophobicContact CG1-CD1 4.06Å; I759-L800 HydrophobicContact CG2-CD1 4.34Å; I759-T804 HydrophobicContact CG1-CG2 3.93Å; I759-A808 HydrophobicContact CD1-CB 4.22Å; I759-A808 HydrophobicContact CG1-CB 4.33Å
760Y91.9Very high88.1Confident78 Ų7854.7 Ų54.731%0.30629%0.292SS..Hα-helixtrans-57.5-40.4176.6-82.3-85.1000111.7V756 V762 L763 N764 V770 E773V756-Y760 HydrophobicContact CG1-CD2 3.82Å; V756-Y760 HydrophobicContact CG1-CE2 3.55Å; V756-Y760 WeakPolarHBondContact O-CD2 3.35Å; V756-Y760 PolarHBondContact O-N 3.49Å; Y760-V762 PolarHBondContact O-N 2.91Å; Y760-L763 PolarHBondContact O-N 2.91Å; Y760-N764 VanDerWaalsContact O-CB 3.25Å; Y760-N764 WeakPolarHBondContact O-CB 3.44Å; Y760-N764 PolarHBondContact O-N 3.39Å; Y760-N764 PolarHBondContact O-ND2 3.16Å; Y760-N764 VanDerWaalsContact O-ND2 3.16Å; Y760-V770 HydrophobicContact CD1-CG2 4.03Å; Y760-V770 HydrophobicContact CE1-CB 3.85Å; Y760-V770 HydrophobicContact CE1-CG1 4.04Å; Y760-V770 HydrophobicContact CE1-CG2 3.74Å; Y760-E773 WeakPolarHBondContact CE2-OE2 3.37Å; Y760-E773 PolarHBondContact OH-OE2 3.04Å
761G91.4Very high88.8Confident45 Ų4557.4 Ų57.446%0.46430%0.304SS..Hα-helixtrans-58.2-45.1175.700000113.1G757 G758 I759 K765G757-G761 PolarHBondContact O-N 3.45Å; G758-G761 PolarHBondContact O-N 3.14Å; I759-G761 VanDerWaalsContact C-N 3.26Å; I759-G761 PolarHBondContact O-N 3.2Å; G761-K765 PolarHBondContact O-N 3.48Å
762V92.3Very high89.4Confident6 Ų660.7 Ų60.74%0.03632%0.319CS..Hα-helixtrans-71.6-45179.7179.80000111.6G758 I759 Y760 K765 K766 F796 D799 L800 N803G758-V762 WeakPolarHBondContact O-CG2 3.47Å; G758-V762 PolarHBondContact O-N 3.32Å; I759-V762 PolarHBondContact O-N 3.4Å; I759-V762 VanDerWaalsContact O-N 3.14Å; Y760-V762 PolarHBondContact O-N 2.91Å; V762-K765 PolarHBondContact O-N 3.22Å; V762-K766 HydrophobicContact CG1-CD 4.31Å; V762-K766 PolarHBondContact O-N 2.98Å; V762-F796 HydrophobicContact CG1-CD2 3.76Å; V762-F796 HydrophobicContact CG1-CE2 3.67Å; V762-D799 HydrophobicContact CG1-CB 4.09Å; V762-L800 HydrophobicContact CB-CD1 4.12Å; V762-L800 HydrophobicContact CG1-CD1 4.33Å; V762-L800 HydrophobicContact CG2-CD1 4.3Å; V762-N803 HydrophobicContact CG2-CB 3.56Å
763L93.2Very high90.1Very high0 Ų063.4 Ų63.40%033%0.329CS..Hα-helixtrans-62.6-47179.7-73.3174.2000111.3I749 I759 Y760 K765 K766 R767 G768 V770 A786 F796I749-L763 HydrophobicContact CD1-CD1 4.24Å; I759-L763 HydrophobicContact CG2-CD1 3.7Å; I759-L763 HydrophobicContact CG2-CG 4.22Å; I759-L763 PolarHBondContact O-N 3.11Å; Y760-L763 PolarHBondContact O-N 2.91Å; L763-K765 VanDerWaalsContact C-N 3.28Å; L763-K765 PolarHBondContact O-N 3.3Å; L763-K766 CarbonylContact O-C 3.37Å; L763-K766 WeakPolarHBondContact O-CA 3.47Å; L763-K766 PolarHBondContact O-N 2.81Å; L763-R767 PolarHBondContact O-N 3.41Å; L763-G768 WeakPolarHBondContact O-CA 3.19Å; L763-G768 PolarHBondContact O-N 3.43Å; L763-V770 HydrophobicContact CD1-CG2 3.42Å; L763-V770 VanDerWaalsContact CD1-CG2 3.42Å; L763-A786 HydrophobicContact CD1-CB 3.68Å; L763-A786 HydrophobicContact CD2-CB 4.13Å; L763-F796 HydrophobicContact CD2-CE2 3.82Å; L763-F796 HydrophobicContact CD2-CZ 3.8Å; L763-F796 HydrophobicContact CG-CE2 4.48Å
764N92.5Very high90.4Very high112 Ų11259.7 Ų59.760%0.59932%0.317SS*.Hα-helixtrans-59.2-39.4178.5-73.3-24.5000112.2Y760 K766 R767Y760-N764 VanDerWaalsContact O-CB 3.25Å; Y760-N764 WeakPolarHBondContact O-CB 3.44Å; Y760-N764 PolarHBondContact O-N 3.39Å; Y760-N764 PolarHBondContact O-ND2 3.16Å; Y760-N764 VanDerWaalsContact O-ND2 3.16Å; N764-K766 PolarHBondContact O-N 3.06Å; N764-R767 PolarHBondContact O-N 3.26Å
765K92.6Very high90.4Very high171 Ų17156.3 Ų56.374%0.74330%0.301SS*.Hα-helixtrans-63.6-29.2176.1-172-179.3177.5-171.20112.6G761 V762 L763G761-K765 PolarHBondContact O-N 3.48Å; V762-K765 PolarHBondContact O-N 3.22Å; L763-K765 VanDerWaalsContact C-N 3.28Å; L763-K765 PolarHBondContact O-N 3.3Å
766K92.3Very high89.8Confident23 Ų2356.9 Ų56.910%0.131%0.305CS..THydrogen-bonded Turntrans-105.721.7-176.2-73.6177.3170.6-77.10113.7V762 L763 N764 G768 L788 E792 F794 F796 D799V762-K766 HydrophobicContact CG1-CD 4.31Å; V762-K766 PolarHBondContact O-N 2.98Å; L763-K766 CarbonylContact O-C 3.37Å; L763-K766 WeakPolarHBondContact O-CA 3.47Å; L763-K766 PolarHBondContact O-N 2.81Å; N764-K766 PolarHBondContact O-N 3.06Å; K766-G768 PolarHBondContact O-N 3.14Å; K766-L788 HydrophobicContact CB-CD1 3.84Å; K766-L788 WeakPolarHBondContact O-CD1 3.48Å; K766-E792 HydrophobicContact CB-CB 4.06Å; K766-E792 VanDerWaalsContact CD-O 3.32Å; K766-E792 WeakPolarHBondContact CD-O 3.19Å; K766-E792 PolarHBondContact NZ-O 3.33Å; K766-E792 VanDerWaalsContact O-CB 3.28Å; K766-E792 WeakPolarHBondContact O-CB 3.37Å; K766-E792 WeakPolarHBondContact O-CG 3.29Å; K766-F794 PolarHBondContact NZ-O 2.98Å; K766-F796 HydrophobicContact CD-CB 4.25Å; K766-F796 HydrophobicContact CD-CD2 3.73Å; K766-F796 HydrophobicContact CD-CG 4.44Å; K766-D799 WeakPolarHBondContact CE-OD2 3.3Å; K766-D799 IonicContact NZ-OD2 3.33Å; K766-D799 PolarHBondContact NZ-OD2 3.15Å
767R93.7Very high88.9Confident85 Ų8562.3 Ų62.332%0.32133%0.331SS..THydrogen-bonded Turntrans57.924.3-177.6-52.5-173.4-66.8126.7-6.9114E742 L763 N764 P789 E792 R830E742-R767 IonicContact OE1-CZ 3.45Å; E742-R767 IonicContact OE1-NH1 2.78Å; E742-R767 PolarHBondContact OE1-NH1 3.19Å; E742-R767 IonicContact OE1-NH2 3.43Å; E742-R767 PolarHBondContact OE1-NH2 3.12Å; E742-R767 IonicContact OE2-CZ 3.79Å; E742-R767 IonicContact OE2-NH1 2.86Å; E742-R767 IonicContact OE2-NH2 3.37Å; E742-R767 PolarHBondContact OE2-NH2 3.2Å; L763-R767 PolarHBondContact O-N 3.41Å; N764-R767 PolarHBondContact O-N 3.26Å; R767-P789 HydrophobicContact CB-CG 4.4Å; R767-E792 IonicContact CZ-OE1 3.54Å; R767-E792 IonicContact NE-OE1 2.9Å; R767-E792 PolarHBondContact NE-OE1 2.86Å; R767-E792 IonicContact NH2-OE1 3.31Å; R767-E792 PolarHBondContact NH2-OE1 2.91Å; R767-R830 VanDerWaalsContact NE-NH1 3.1Å
768G92.3Very high87.6Confident8 Ų861.7 Ų61.78%0.08232%0.324CS..  trans-71.5140.2175.100000111.3L763 K766 Y787L763-G768 WeakPolarHBondContact O-CA 3.19Å; L763-G768 PolarHBondContact O-N 3.43Å; K766-G768 PolarHBondContact O-N 3.14Å; G768-Y787 CarbonylContact C-O 3.43Å; G768-Y787 WeakPolarHBondContact CA-O 3.38Å
769H93.5Very high86.6Confident119 Ų11961.3 Ų61.355%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans-115.6108.7175.7178.764.5000110.2A786 Y787H769-A786 CarbonylContact O-C 2.75Å; H769-A786 WeakPolarHBondContact O-CA 3.35Å; H769-A786 WeakPolarHBondContact O-CB 3.49Å; H769-Y787 PolarHBondContact N-O 2.76Å; H769-Y787 PolarHBondContact O-N 2.65Å
770V94.1Very high85.7Confident26 Ų2665 Ų6516%0.15834%0.341CS..EExtended strand (participates in β ladder)trans-76.2126.5173.4-178.80000108.9Y760 L763 V784 A786Y760-V770 HydrophobicContact CD1-CG2 4.03Å; Y760-V770 HydrophobicContact CE1-CB 3.85Å; Y760-V770 HydrophobicContact CE1-CG1 4.04Å; Y760-V770 HydrophobicContact CE1-CG2 3.74Å; L763-V770 HydrophobicContact CD1-CG2 3.42Å; L763-V770 VanDerWaalsContact CD1-CG2 3.42Å; V770-V784 HydrophobicContact CB-CG1 4.49Å; V770-V784 HydrophobicContact CG1-CG1 3.66Å; V770-V784 HydrophobicContact CG2-CG1 3.99Å; V770-A786 HydrophobicContact CG2-CB 4.09Å
771F92.6Very high85Confident85 Ų8563.5 Ų63.537%0.37334%0.337SS..EExtended strand (participates in β ladder)trans-123-15.7179.365.4-96.9000113.4L746 K785 Y787L746-F771 HydrophobicContact CD1-CE1 3.76Å; L746-F771 HydrophobicContact CD1-CZ 3.54Å; F771-K785 HydrophobicContact CE1-CB 4.13Å; F771-K785 HydrophobicContact CE2-CB 4.01Å; F771-K785 HydrophobicContact CE2-CD 4.49Å; F771-K785 HydrophobicContact CZ-CB 3.68Å; F771-K785 HydrophobicContact CZ-CD 4.42Å; F771-K785 PolarHBondContact N-O 3.5Å; F771-K785 VanDerWaalsContact N-O 3.1Å; F771-Y787 AromaticContact CD1-CD2 3.62Å; F771-Y787 HydrophobicContact CD1-CD2 3.62Å; F771-Y787 HydrophobicContact CD1-CE1 4.49Å; F771-Y787 AromaticContact CD1-CE2 3.47Å; F771-Y787 HydrophobicContact CD1-CE2 3.47Å; F771-Y787 VanDerWaalsContact CD1-CE2 3.47Å; F771-Y787 HydrophobicContact CD1-CG 4.2Å; F771-Y787 AromaticContact CD1-CZ 3.94Å; F771-Y787 HydrophobicContact CE1-CD1 4.02Å; F771-Y787 AromaticContact CE1-CD2 3.83Å; F771-Y787 HydrophobicContact CE1-CD2 3.83Å; F771-Y787 AromaticContact CE1-CE1 3.75Å; F771-Y787 HydrophobicContact CE1-CE1 3.75Å; F771-Y787 AromaticContact CE1-CE2 3.55Å; F771-Y787 HydrophobicContact CE1-CE2 3.55Å; F771-Y787 HydrophobicContact CE1-CG 4.04Å; F771-Y787 AromaticContact CE1-CZ 3.5Å; F771-Y787 HydrophobicContact CG-CE2 4.19Å; F771-Y787 HydrophobicContact CZ-CE1 4.28Å; F771-Y787 HydrophobicContact CZ-CE2 4.34Å; F771-Y787 AromaticContact CZ-CZ 3.96Å
772E91.4Very high84.5Confident69 Ų6962.4 Ų62.432%0.32232%0.32SS..EExtended strand (participates in β ladder)trans-139.2132.8176.7-164.2-171.6150.700109.8K785E772-K785 HydrophobicContact CB-CB 4.07Å; E772-K785 HydrophobicContact CB-CG 4.47Å; E772-K785 PolarHBondContact N-O 3.04Å; E772-K785 PolarHBondContact O-N 2.92Å; E772-K785 IonicContact OE1-NZ 3.72Å; E772-K785 PolarHBondContact OE1-NZ 2.76Å; E772-K785 WeakPolarHBondContact OE2-CD 3.37Å; E772-K785 WeakPolarHBondContact OE2-CE 3.47Å; E772-K785 IonicContact OE2-NZ 3.69Å; E772-K785 PolarHBondContact OE2-NZ 2.75Å
773E90.6Very high84.1Confident89 Ų8962.9 Ų62.942%0.41632%0.323SS..EExtended strand (participates in β ladder)trans-133.1116.1169.4-177.5175.9158.300107.1Y760 F782 V784Y760-E773 WeakPolarHBondContact CE2-OE2 3.37Å; Y760-E773 PolarHBondContact OH-OE2 3.04Å; E773-F782 HydrophobicContact CG-CD1 4.08Å; E773-V784 HydrophobicContact CG-CG2 4.43Å
774S85.9Confident83.9Confident44 Ų4462.9 Ų62.931%0.30832%0.323SS..EExtended strand (participates in β ladder)trans-133.2136.7-177.956.60000111.3F782 V783S774-F782 WeakPolarHBondContact O-CA 3.3Å; S774-V783 PolarHBondContact N-O 3.18Å; S774-V783 PolarHBondContact O-N 2.92Å
775Q81Confident83.8Confident110 Ų11059.6 Ų59.651%0.51430%0.303SS..EExtended strand (participates in β ladder)trans-83.2133174.4-172.218015.600109.8M777 F782Q775-M777 PolarHBondContact O-N 3.4Å; Q775-M777 VanDerWaalsContact O-N 3.1Å; Q775-F782 HydrophobicContact CB-CD1 4.4Å; Q775-F782 HydrophobicContact CB-CE1 4.05Å; Q775-F782 HydrophobicContact CB-CE2 4.33Å; Q775-F782 HydrophobicContact CB-CZ 4.01Å; Q775-F782 HydrophobicContact CG-CD2 4.35Å; Q775-F782 HydrophobicContact CG-CE1 4.5Å; Q775-F782 HydrophobicContact CG-CE2 3.89Å; Q775-F782 HydrophobicContact CG-CZ 3.99Å
776V71.6Confident83.9Confident32 Ų3251.4 Ų51.419%0.19427%0.268CS..  trans-76.2100.4173.4-177.70000108.6G778 T779 M781 V783V776-G778 PolarHBondContact O-N 2.95Å; V776-T779 WeakPolarHBondContact CB-OG1 3.39Å; V776-T779 HydrophobicContact CG1-CG2 4.28Å; V776-T779 PolarHBondContact O-N 2.82Å; V776-T779 VanDerWaalsContact O-O 3.04Å; V776-T779 PolarHBondContact O-OG1 2.9Å; V776-M781 HydrophobicContact CB-CB 4.36Å; V776-M781 HydrophobicContact CG2-CB 4.34Å; V776-M781 PolarHBondContact N-O 2.61Å; V776-V783 HydrophobicContact CG2-CG2 3.65Å
777M68.3Low84Confident126 Ų12653.8 Ų53.862%0.62128%0.277SS*.THydrogen-bonded Turntrans-52.6129.8-176.3-70.3-162.9-60.300112.8R180 Q775R180-M777 VanDerWaalsContact CD-CE 3.47Å; R180-M777 VanDerWaalsContact NH1-CB 3.28Å; R180-M777 PolarHBondContact NH1-O 2.81Å; Q775-M777 PolarHBondContact O-N 3.4Å; Q775-M777 VanDerWaalsContact O-N 3.1Å
778G59.8Low84Confident45 Ų4549.8 Ų49.846%0.46426%0.261SS..THydrogen-bonded Turntrans88.71.5-177.500000113.9V776V776-G778 PolarHBondContact O-N 2.95Å
779T68Low84Confident14 Ų1449.6 Ų49.69%0.08626%0.259CS..SBendtrans-137.8158.2175.7790000110.6V132 L167 V776 M781V132-T779 HydrophobicContact CG1-CG2 3.58Å; V132-T779 WeakPolarHBondContact O-CG2 3.29Å; L167-T779 HydrophobicContact CD1-CG2 4.31Å; V776-T779 WeakPolarHBondContact CB-OG1 3.39Å; V776-T779 HydrophobicContact CG1-CG2 4.28Å; V776-T779 PolarHBondContact O-N 2.82Å; V776-T779 VanDerWaalsContact O-O 3.04Å; V776-T779 PolarHBondContact O-OG1 2.9Å; T779-M781 PolarHBondContact O-N 2.7Å; T779-M781 WeakPolarHBondContact OG1-CB 3.1Å; T779-M781 PolarHBondContact OG1-N 2.76Å
780P71Confident83.7Confident77 Ų7743.9 Ų43.950%0.523%0.232SC..SBendtrans-78.211.2173.433.4-36.3000113.5E753E753-P780 PolarHBondContact N-O 2.8Å
781M76.1Confident83.4Confident47 Ų4745.1 Ų45.123%0.23224%0.238CC..EExtended strand (participates in β ladder)trans-88.6144.6-176.2-61.9-67.2-69.500111.5Q750 C751 P752 V776 T779Q750-M781 HydrophobicContact CB-CE 4.11Å; C751-M781 CarbonylContact O-C 3.51Å; C751-M781 WeakPolarHBondContact O-CA 3.4Å; P752-M781 HydrophobicContact CG-SD 4.15Å; V776-M781 HydrophobicContact CB-CB 4.36Å; V776-M781 HydrophobicContact CG2-CB 4.34Å; V776-M781 PolarHBondContact N-O 2.61Å; T779-M781 PolarHBondContact O-N 2.7Å; T779-M781 WeakPolarHBondContact OG1-CB 3.1Å; T779-M781 PolarHBondContact OG1-N 2.76Å
782F82.3Confident83.3Confident22 Ų2242.9 Ų42.910%0.09623%0.229CC..EExtended strand (participates in β ladder)trans-115.2147.2173.1-79.5-108.9000109.3Q750 C751 E753 V756 E773 S774 Q775Q750-F782 WeakPolarHBondContact CA-O 3.43Å; C751-F782 PolarHBondContact N-O 3.37Å; C751-F782 PolarHBondContact O-N 3.3Å; E753-F782 HydrophobicContact CB-CD2 3.74Å; E753-F782 HydrophobicContact CB-CE2 3.43Å; E753-F782 VanDerWaalsContact CB-CE2 3.43Å; E753-F782 HydrophobicContact CB-CZ 4.26Å; E753-F782 HydrophobicContact CG-CD2 4.15Å; E753-F782 HydrophobicContact CG-CE2 3.48Å; E753-F782 VanDerWaalsContact CG-CE2 3.48Å; E753-F782 HydrophobicContact CG-CZ 3.79Å; V756-F782 HydrophobicContact CG2-CB 4.11Å; V756-F782 HydrophobicContact CG2-CG 4.25Å; E773-F782 HydrophobicContact CG-CD1 4.08Å; S774-F782 WeakPolarHBondContact O-CA 3.3Å; Q775-F782 HydrophobicContact CB-CD1 4.4Å; Q775-F782 HydrophobicContact CB-CE1 4.05Å; Q775-F782 HydrophobicContact CB-CE2 4.33Å; Q775-F782 HydrophobicContact CB-CZ 4.01Å; Q775-F782 HydrophobicContact CG-CD2 4.35Å; Q775-F782 HydrophobicContact CG-CE1 4.5Å; Q775-F782 HydrophobicContact CG-CE2 3.89Å; Q775-F782 HydrophobicContact CG-CZ 3.99Å
783V83.3Confident83.1Confident16 Ų1640.2 Ų40.210%0.09722%0.218CC..EExtended strand (participates in β ladder)trans-112.6118.1169.5-179.30000107.3E748 I749 Q750 S774 V776 K785E748-V783 HydrophobicContact CG-CG1 3.54Å; I749-V783 WeakPolarHBondContact O-CA 3.42Å; Q750-V783 HydrophobicContact CG-CG2 4.29Å; S774-V783 PolarHBondContact N-O 3.18Å; S774-V783 PolarHBondContact O-N 2.92Å; V776-V783 HydrophobicContact CG2-CG2 3.65Å; V783-K785 HydrophobicContact CG1-CG 4.3Å
784V89.4Confident82.8Confident0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-106.3121.6173.8-177.80000107.9I749 V756 I759 V770 E773I749-V784 HydrophobicContact CB-CB 4.44Å; I749-V784 PolarHBondContact N-O 3.17Å; I749-V784 PolarHBondContact O-N 3.48Å; V756-V784 HydrophobicContact CG1-CG2 4.43Å; I759-V784 HydrophobicContact CD1-CG2 4.35Å; I759-V784 HydrophobicContact CG2-CG1 4.34Å; V770-V784 HydrophobicContact CB-CG1 4.49Å; V770-V784 HydrophobicContact CG1-CG1 3.66Å; V770-V784 HydrophobicContact CG2-CG1 3.99Å; E773-V784 HydrophobicContact CG-CG2 4.43Å
785K91Very high82.7Confident43 Ų4337.2 Ų37.219%0.18721%0.206CC..EExtended strand (participates in β ladder)trans-106.4133.4172-57.4-172.8-166146.60111.2L746 V747 F771 E772 V783L746-K785 HydrophobicContact CD1-CB 4.27Å; V747-K785 CarbonylContact O-C 3.46Å; V747-K785 VanDerWaalsContact O-CA 3.29Å; V747-K785 WeakPolarHBondContact O-CA 3.36Å; F771-K785 HydrophobicContact CE1-CB 4.13Å; F771-K785 HydrophobicContact CE2-CB 4.01Å; F771-K785 HydrophobicContact CE2-CD 4.49Å; F771-K785 HydrophobicContact CZ-CB 3.68Å; F771-K785 HydrophobicContact CZ-CD 4.42Å; F771-K785 PolarHBondContact N-O 3.5Å; F771-K785 VanDerWaalsContact N-O 3.1Å; E772-K785 HydrophobicContact CB-CB 4.07Å; E772-K785 HydrophobicContact CB-CG 4.47Å; E772-K785 PolarHBondContact N-O 3.04Å; E772-K785 PolarHBondContact O-N 2.92Å; E772-K785 IonicContact OE1-NZ 3.72Å; E772-K785 PolarHBondContact OE1-NZ 2.76Å; E772-K785 WeakPolarHBondContact OE2-CD 3.37Å; E772-K785 WeakPolarHBondContact OE2-CE 3.47Å; E772-K785 IonicContact OE2-NZ 3.69Å; E772-K785 PolarHBondContact OE2-NZ 2.75Å; V783-K785 HydrophobicContact CG1-CG 4.3Å
786A94.3Very high83Confident0 Ų032 Ų320%018%0.182CC..EExtended strand (participates in β ladder)trans-142.3153.9-178.800000112.4V747 L763 H769 V770V747-A786 PolarHBondContact N-O 3.35Å; V747-A786 PolarHBondContact O-N 3.48Å; L763-A786 HydrophobicContact CD1-CB 3.68Å; L763-A786 HydrophobicContact CD2-CB 4.13Å; H769-A786 CarbonylContact O-C 2.75Å; H769-A786 WeakPolarHBondContact O-CA 3.35Å; H769-A786 WeakPolarHBondContact O-CB 3.49Å; V770-A786 HydrophobicContact CG2-CB 4.09Å
787Y94.7Very high83.3Confident73 Ų7334.4 Ų34.429%0.28620%0.196SC..EExtended strand (participates in β ladder)trans-90.3129.4165-65.5-53.5000109.8V744 Y745 L746 G768 H769 F771 D815 H816V744-Y787 HydrophobicContact CG1-CD1 4.18Å; V744-Y787 HydrophobicContact CG1-CG 4.31Å; Y745-Y787 CarbonylContact O-C 3.52Å; Y745-Y787 WeakPolarHBondContact O-CA 3.36Å; L746-Y787 HydrophobicContact CD1-CE1 4.32Å; G768-Y787 CarbonylContact C-O 3.43Å; G768-Y787 WeakPolarHBondContact CA-O 3.38Å; H769-Y787 PolarHBondContact N-O 2.76Å; H769-Y787 PolarHBondContact O-N 2.65Å; F771-Y787 AromaticContact CD1-CD2 3.62Å; F771-Y787 HydrophobicContact CD1-CD2 3.62Å; F771-Y787 HydrophobicContact CD1-CE1 4.49Å; F771-Y787 AromaticContact CD1-CE2 3.47Å; F771-Y787 HydrophobicContact CD1-CE2 3.47Å; F771-Y787 VanDerWaalsContact CD1-CE2 3.47Å; F771-Y787 HydrophobicContact CD1-CG 4.2Å; F771-Y787 AromaticContact CD1-CZ 3.94Å; F771-Y787 HydrophobicContact CE1-CD1 4.02Å; F771-Y787 AromaticContact CE1-CD2 3.83Å; F771-Y787 HydrophobicContact CE1-CD2 3.83Å; F771-Y787 AromaticContact CE1-CE1 3.75Å; F771-Y787 HydrophobicContact CE1-CE1 3.75Å; F771-Y787 AromaticContact CE1-CE2 3.55Å; F771-Y787 HydrophobicContact CE1-CE2 3.55Å; F771-Y787 HydrophobicContact CE1-CG 4.04Å; F771-Y787 AromaticContact CE1-CZ 3.5Å; F771-Y787 HydrophobicContact CG-CE2 4.19Å; F771-Y787 HydrophobicContact CZ-CE1 4.28Å; F771-Y787 HydrophobicContact CZ-CE2 4.34Å; F771-Y787 AromaticContact CZ-CZ 3.96Å; Y787-D815 WeakPolarHBondContact CE1-OD2 3.32Å; Y787-H816 AromaticContact CD1-CE1 3.84Å; Y787-H816 AromaticContact CE1-CE1 3.89Å
788L92.8Very high83.9Confident0 Ų031.6 Ų31.60%019%0.193CC..EExtended strand (participates in β ladder)trans-131120.4-179.8-179.166.2000110.4Y745 V747 K766 V790 E792 F796Y745-L788 PolarHBondContact N-O 3.22Å; Y745-L788 PolarHBondContact O-N 3.21Å; V747-L788 HydrophobicContact CG2-CB 3.44Å; V747-L788 VanDerWaalsContact CG2-CB 3.44Å; V747-L788 HydrophobicContact CG2-CD2 3.87Å; V747-L788 HydrophobicContact CG2-CG 4.3Å; K766-L788 HydrophobicContact CB-CD1 3.84Å; K766-L788 WeakPolarHBondContact O-CD1 3.48Å; L788-V790 PolarHBondContact O-N 3.23Å; L788-E792 HydrophobicContact CD1-CB 4.34Å; L788-F796 HydrophobicContact CD2-CB 4.36Å; L788-F796 HydrophobicContact CD2-CD1 3.82Å; L788-F796 HydrophobicContact CD2-CD2 4.1Å; L788-F796 HydrophobicContact CD2-CE1 4.07Å; L788-F796 HydrophobicContact CD2-CE2 4.32Å; L788-F796 HydrophobicContact CD2-CG 3.83Å; L788-F796 HydrophobicContact CD2-CZ 4.31Å
789P92.2Very high85.2Confident4 Ų432.2 Ų32.23%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-57.9132173.2-25.735.5000111.6R767 N791 E792 S793R767-P789 HydrophobicContact CB-CG 4.4Å; P789-N791 PolarHBondContact O-N 2.74Å; P789-E792 HydrophobicContact CB-CG 4.06Å; P789-E792 HydrophobicContact CG-CG 4.45Å; P789-E792 PolarHBondContact O-N 2.99Å; P789-S793 PolarHBondContact O-N 2.82Å
790V88.3Confident86Confident0 Ų031.5 Ų31.50%018%0.181CC..G310 helixtrans-59.8-35.8-173.3178.70000111.7V504 V505 V577 P743 Y745 L788 E792 S793V504-V790 HydrophobicContact CG2-CG1 4.1Å; V504-V790 HydrophobicContact CG2-CG2 4.34Å; V505-V790 HydrophobicContact CG2-CG1 4.14Å; V577-V790 HydrophobicContact CG1-CB 4.01Å; V577-V790 HydrophobicContact CG1-CG1 3.57Å; P743-V790 HydrophobicContact CB-CB 4.44Å; P743-V790 HydrophobicContact CB-CG2 3.8Å; P743-V790 HydrophobicContact CG-CB 3.96Å; P743-V790 HydrophobicContact CG-CG2 3.87Å; P743-V790 WeakPolarHBondContact O-CG2 3.32Å; P743-V790 PolarHBondContact O-N 3.25Å; Y745-V790 HydrophobicContact CD1-CG2 3.71Å; Y745-V790 HydrophobicContact CD2-CB 4.38Å; Y745-V790 HydrophobicContact CD2-CG1 4.45Å; Y745-V790 HydrophobicContact CD2-CG2 3.83Å; Y745-V790 HydrophobicContact CE1-CG1 4.37Å; Y745-V790 HydrophobicContact CE1-CG2 3.54Å; Y745-V790 HydrophobicContact CE2-CB 4.03Å; Y745-V790 HydrophobicContact CE2-CG1 3.63Å; Y745-V790 HydrophobicContact CE2-CG2 3.69Å; Y745-V790 HydrophobicContact CG-CG2 3.84Å; Y745-V790 WeakPolarHBondContact OH-CG1 3.33Å; L788-V790 PolarHBondContact O-N 3.23Å; V790-E792 PolarHBondContact O-N 3.28Å; V790-S793 VanDerWaalsContact O-CB 3.31Å; V790-S793 WeakPolarHBondContact O-CB 3.47Å; V790-S793 PolarHBondContact O-N 3.4Å; V790-S793 PolarHBondContact O-OG 2.9Å
791N87.3Confident86.3Confident51 Ų5136 Ų3627%0.27319%0.188SC..G310 helixtrans-63.9-27.9178.6-166.173.6000113V577 P789 F794V577-N791 HydrophobicContact CG1-CB 4.12Å; V577-N791 HydrophobicContact CG2-CB 3.93Å; P789-N791 PolarHBondContact O-N 2.74Å; N791-F794 VanDerWaalsContact O-CD2 3.32Å; N791-F794 WeakPolarHBondContact O-CD2 3.32Å
792E89.4Confident86.8Confident39 Ų3938.4 Ų38.418%0.18221%0.21CC..G310 helixtrans-87-12.4177-54.2-69.6178.400111.9K766 R767 L788 P789 V790 F794 R830K766-E792 HydrophobicContact CB-CB 4.06Å; K766-E792 VanDerWaalsContact CD-O 3.32Å; K766-E792 WeakPolarHBondContact CD-O 3.19Å; K766-E792 PolarHBondContact NZ-O 3.33Å; K766-E792 VanDerWaalsContact O-CB 3.28Å; K766-E792 WeakPolarHBondContact O-CB 3.37Å; K766-E792 WeakPolarHBondContact O-CG 3.29Å; R767-E792 IonicContact CZ-OE1 3.54Å; R767-E792 IonicContact NE-OE1 2.9Å; R767-E792 PolarHBondContact NE-OE1 2.86Å; R767-E792 IonicContact NH2-OE1 3.31Å; R767-E792 PolarHBondContact NH2-OE1 2.91Å; L788-E792 HydrophobicContact CD1-CB 4.34Å; P789-E792 HydrophobicContact CB-CG 4.06Å; P789-E792 HydrophobicContact CG-CG 4.45Å; P789-E792 PolarHBondContact O-N 2.99Å; V790-E792 PolarHBondContact O-N 3.28Å; E792-F794 VanDerWaalsContact C-N 3.3Å; E792-F794 PolarHBondContact O-N 3.01Å; E792-R830 IonicContact OE1-CZ 2.86Å; E792-R830 IonicContact OE1-NH1 2.83Å; E792-R830 PolarHBondContact OE1-NH1 2.92Å; E792-R830 IonicContact OE1-NH2 3.24Å; E792-R830 PolarHBondContact OE1-NH2 3.27Å
793S87.1Confident86.9Confident13 Ų1342 Ų429%0.09123%0.23CC..  trans-74.6-15.9-178.278.20000114Y745 P789 V790 G795 F796Y745-S793 WeakPolarHBondContact CE2-OG 3.42Å; P789-S793 PolarHBondContact O-N 2.82Å; V790-S793 VanDerWaalsContact O-CB 3.31Å; V790-S793 WeakPolarHBondContact O-CB 3.47Å; V790-S793 PolarHBondContact O-N 3.4Å; V790-S793 PolarHBondContact O-OG 2.9Å; S793-G795 PolarHBondContact O-N 2.81Å; S793-F796 WeakPolarHBondContact O-CB 3.28Å; S793-F796 PolarHBondContact O-N 2.87Å
794F85.6Confident86.8Confident42 Ų4241.5 Ų41.518%0.18423%0.227CC..THydrogen-bonded Turntrans-60.6128.4177.4-58-46.7000111V505 P575 V577 K766 N791 E792 F796V505-F794 HydrophobicContact CG1-CE1 3.78Å; V505-F794 HydrophobicContact CG1-CZ 4.18Å; V505-F794 HydrophobicContact CG2-CE1 4.31Å; P575-F794 HydrophobicContact CB-CD1 4.25Å; P575-F794 HydrophobicContact CB-CE1 3.76Å; P575-F794 HydrophobicContact CB-CE2 4.44Å; P575-F794 HydrophobicContact CB-CZ 3.86Å; P575-F794 HydrophobicContact CG-CD1 3.92Å; P575-F794 HydrophobicContact CG-CD2 4.41Å; P575-F794 HydrophobicContact CG-CE1 3.94Å; P575-F794 HydrophobicContact CG-CE2 4.41Å; P575-F794 HydrophobicContact CG-CG 4.17Å; P575-F794 HydrophobicContact CG-CZ 4.18Å; P575-F794 WeakPolarHBondContact O-CE2 3.42Å; V577-F794 HydrophobicContact CG1-CE2 4.01Å; V577-F794 HydrophobicContact CG1-CZ 3.67Å; K766-F794 PolarHBondContact NZ-O 2.98Å; N791-F794 VanDerWaalsContact O-CD2 3.32Å; N791-F794 WeakPolarHBondContact O-CD2 3.32Å; E792-F794 VanDerWaalsContact C-N 3.3Å; E792-F794 PolarHBondContact O-N 3.01Å; F794-F796 PolarHBondContact O-N 2.87Å; F794-F796 VanDerWaalsContact O-N 3.15Å
795G83.3Confident86.2Confident28 Ų2844.7 Ų44.729%0.28926%0.26SS..THydrogen-bonded Turntrans67.44.9-174.300000115S793 T797 A798 D799S793-G795 PolarHBondContact O-N 2.81Å; G795-T797 VanDerWaalsContact C-N 3.33Å; G795-T797 PolarHBondContact O-N 3.44Å; G795-A798 PolarHBondContact O-N 3.1Å; G795-A798 VanDerWaalsContact O-N 3.15Å; G795-D799 PolarHBondContact O-N 2.8Å
796F86.4Confident85.2Confident1 Ų143.6 Ų43.60%0.00426%0.26CS..Hα-helixtrans-57.4-43.7-178.5171.7-116.9000112.5V747 I749 V762 L763 K766 L788 S793 F794 A798 D799 L800 P810V747-F796 HydrophobicContact CG1-CE1 3.65Å; V747-F796 HydrophobicContact CG1-CZ 4.06Å; I749-F796 HydrophobicContact CD1-CZ 3.94Å; V762-F796 HydrophobicContact CG1-CD2 3.76Å; V762-F796 HydrophobicContact CG1-CE2 3.67Å; L763-F796 HydrophobicContact CD2-CE2 3.82Å; L763-F796 HydrophobicContact CD2-CZ 3.8Å; L763-F796 HydrophobicContact CG-CE2 4.48Å; K766-F796 HydrophobicContact CD-CB 4.25Å; K766-F796 HydrophobicContact CD-CD2 3.73Å; K766-F796 HydrophobicContact CD-CG 4.44Å; L788-F796 HydrophobicContact CD2-CB 4.36Å; L788-F796 HydrophobicContact CD2-CD1 3.82Å; L788-F796 HydrophobicContact CD2-CD2 4.1Å; L788-F796 HydrophobicContact CD2-CE1 4.07Å; L788-F796 HydrophobicContact CD2-CE2 4.32Å; L788-F796 HydrophobicContact CD2-CG 3.83Å; L788-F796 HydrophobicContact CD2-CZ 4.31Å; S793-F796 WeakPolarHBondContact O-CB 3.28Å; S793-F796 PolarHBondContact O-N 2.87Å; F794-F796 PolarHBondContact O-N 2.87Å; F794-F796 VanDerWaalsContact O-N 3.15Å; F796-A798 VanDerWaalsContact C-N 3.3Å; F796-A798 PolarHBondContact O-N 3.42Å; F796-D799 PolarHBondContact O-N 3.31Å; F796-L800 HydrophobicContact CE1-CD2 4.4Å; F796-L800 HydrophobicContact CE2-CD1 4.37Å; F796-L800 HydrophobicContact CZ-CD1 4.38Å; F796-L800 HydrophobicContact CZ-CD2 4.15Å; F796-L800 VanDerWaalsContact O-CB 3.27Å; F796-L800 WeakPolarHBondContact O-CB 2.93Å; F796-L800 PolarHBondContact O-N 2.96Å; F796-P810 HydrophobicContact CD1-CB 4.15Å; F796-P810 HydrophobicContact CD1-CG 4.37Å; F796-P810 HydrophobicContact CE1-CB 3.5Å; F796-P810 VanDerWaalsContact CE1-CB 3.5Å; F796-P810 HydrophobicContact CE1-CG 4.12Å; F796-P810 HydrophobicContact CZ-CB 4.34Å
797T79.1Confident84Confident81 Ų8147.7 Ų47.750%0.49728%0.28SS..Hα-helixtrans-62-39.2179-54.10000111.9G795 R801 P810G795-T797 VanDerWaalsContact C-N 3.33Å; G795-T797 PolarHBondContact O-N 3.44Å; T797-R801 VanDerWaalsContact O-CB 3.24Å; T797-R801 WeakPolarHBondContact O-CB 3.44Å; T797-R801 PolarHBondContact O-N 3.29Å; T797-P810 HydrophobicContact CG2-CG 3.97Å
798A80.9Confident82.9Confident67 Ų6744.4 Ų44.455%0.55427%0.268SS*.Hα-helixtrans-69.5-44.6177.800000111.5G795 F796 R801 S802G795-A798 PolarHBondContact O-N 3.1Å; G795-A798 VanDerWaalsContact O-N 3.15Å; F796-A798 VanDerWaalsContact C-N 3.3Å; F796-A798 PolarHBondContact O-N 3.42Å; A798-R801 PolarHBondContact O-N 2.98Å; A798-S802 WeakPolarHBondContact O-CB 3.49Å; A798-S802 PolarHBondContact O-N 2.78Å
799D86.2Confident81.7Confident58 Ų5850.2 Ų50.231%0.3129%0.293SS..Hα-helixtrans-60.6-46.4175.8-75.7-21.4000111.3V762 K766 G795 F796 S802 N803V762-D799 HydrophobicContact CG1-CB 4.09Å; K766-D799 WeakPolarHBondContact CE-OD2 3.3Å; K766-D799 IonicContact NZ-OD2 3.33Å; K766-D799 PolarHBondContact NZ-OD2 3.15Å; G795-D799 PolarHBondContact O-N 2.8Å; F796-D799 PolarHBondContact O-N 3.31Å; D799-S802 PolarHBondContact O-N 3.33Å; D799-N803 PolarHBondContact O-N 3.45Å; D799-N803 PolarHBondContact O-ND2 2.91Å
800L85.4Confident81.1Confident0 Ų051.1 Ų51.10%030%0.299CS..Hα-helixtrans-60.8-50.6177.8-166.170.6000110.5I749 I759 V762 F796 S802 N803 T804 A808 P810I749-L800 HydrophobicContact CD1-CD1 4.46Å; I749-L800 HydrophobicContact CD1-CD2 4.08Å; I749-L800 HydrophobicContact CG1-CD2 4.41Å; I749-L800 HydrophobicContact CG2-CD2 3.92Å; I759-L800 HydrophobicContact CB-CD1 4.35Å; I759-L800 HydrophobicContact CG1-CD1 4.06Å; I759-L800 HydrophobicContact CG2-CD1 4.34Å; V762-L800 HydrophobicContact CB-CD1 4.12Å; V762-L800 HydrophobicContact CG1-CD1 4.33Å; V762-L800 HydrophobicContact CG2-CD1 4.3Å; F796-L800 HydrophobicContact CE1-CD2 4.4Å; F796-L800 HydrophobicContact CE2-CD1 4.37Å; F796-L800 HydrophobicContact CZ-CD1 4.38Å; F796-L800 HydrophobicContact CZ-CD2 4.15Å; F796-L800 VanDerWaalsContact O-CB 3.27Å; F796-L800 WeakPolarHBondContact O-CB 2.93Å; F796-L800 PolarHBondContact O-N 2.96Å; L800-S802 VanDerWaalsContact C-N 3.27Å; L800-S802 PolarHBondContact O-N 2.77Å; L800-N803 PolarHBondContact O-N 2.97Å; L800-N803 VanDerWaalsContact O-N 3.12Å; L800-T804 HydrophobicContact CD1-CG2 4.14Å; L800-T804 HydrophobicContact CG-CG2 4.27Å; L800-T804 WeakPolarHBondContact O-CG2 3.18Å; L800-T804 PolarHBondContact O-N 3.32Å; L800-T804 PolarHBondContact O-OG1 2.68Å; L800-A808 HydrophobicContact CD2-CB 4.08Å; L800-A808 HydrophobicContact CG-CB 4.16Å; L800-P810 HydrophobicContact CD2-CB 3.65Å; L800-P810 HydrophobicContact CD2-CG 3.59Å
801R78.3Confident80.4Confident170 Ų17052.1 Ų52.164%0.64230%0.304SS*.Hα-helixtrans-56.9-41.5179.3-163.2-174.1-177.3148.22.1111.9T797 A798 G805 G806T797-R801 VanDerWaalsContact O-CB 3.24Å; T797-R801 WeakPolarHBondContact O-CB 3.44Å; T797-R801 PolarHBondContact O-N 3.29Å; A798-R801 PolarHBondContact O-N 2.98Å; R801-G805 CarbonylContact O-C 3.57Å; R801-G805 PolarHBondContact O-N 3.27Å; R801-G806 PolarHBondContact O-N 3.36Å
802S85Confident80.1Confident98 Ų9850.9 Ų50.969%0.68530%0.299SS*.Hα-helixtrans-64.4-45.3177.4-173.60000112A798 D799 L800A798-S802 WeakPolarHBondContact O-CB 3.49Å; A798-S802 PolarHBondContact O-N 2.78Å; D799-S802 PolarHBondContact O-N 3.33Å; L800-S802 VanDerWaalsContact C-N 3.27Å; L800-S802 PolarHBondContact O-N 2.77Å
803N85.4Confident79.5Confident99 Ų9950.1 Ų50.153%0.52930%0.297SS..Hα-helixtrans-78.1-19.4-176.2-75.9-89.1000113.9V762 D799 L800V762-N803 HydrophobicContact CG2-CB 3.56Å; D799-N803 PolarHBondContact O-N 3.45Å; D799-N803 PolarHBondContact O-ND2 2.91Å; L800-N803 PolarHBondContact O-N 2.97Å; L800-N803 VanDerWaalsContact O-N 3.12Å
804T81.5Confident79.3Confident5 Ų550.9 Ų50.93%0.03130%0.298CS..THydrogen-bonded Turntrans-109.112.1179.5700000113V755 I759 L800 G806 Q807 A808V755-T804 HydrophobicContact CB-CG2 4.41Å; I759-T804 HydrophobicContact CG1-CG2 3.93Å; L800-T804 HydrophobicContact CD1-CG2 4.14Å; L800-T804 HydrophobicContact CG-CG2 4.27Å; L800-T804 WeakPolarHBondContact O-CG2 3.18Å; L800-T804 PolarHBondContact O-N 3.32Å; L800-T804 PolarHBondContact O-OG1 2.68Å; T804-G806 PolarHBondContact O-N 3.06Å; T804-G806 VanDerWaalsContact O-N 3.11Å; T804-Q807 WeakPolarHBondContact O-CB 3.42Å; T804-Q807 PolarHBondContact O-N 3.31Å; T804-Q807 VanDerWaalsContact O-N 3.09Å; T804-A808 HydrophobicContact CG2-CB 3.67Å; T804-A808 WeakPolarHBondContact OG1-CB 3.49Å; T804-A808 PolarHBondContact OG1-N 2.9Å
805G76.8Confident79.3Confident67 Ų6752.1 Ų52.169%0.69131%0.307SS*.THydrogen-bonded Turntrans59.224.8-176.800000113.9R801 Q807R801-G805 CarbonylContact O-C 3.57Å; R801-G805 PolarHBondContact O-N 3.27Å; G805-Q807 VanDerWaalsContact C-N 3.34Å
806G69.6Low79.5Confident19 Ų1953.3 Ų53.320%0.19631%0.305CS..THydrogen-bonded Turntrans76.911.3-177.700000116.4R801 T804R801-G806 PolarHBondContact O-N 3.36Å; T804-G806 PolarHBondContact O-N 3.06Å; T804-G806 VanDerWaalsContact O-N 3.11Å
807Q68.9Low79.7Confident87 Ų8754 Ų5441%0.40731%0.308SS..  trans-89.7-6.1-178.4-57.5-176.65.600114.5P752 V755 T804 G805P752-Q807 WeakPolarHBondContact CD-O 3.47Å; P752-Q807 HydrophobicContact CG-CB 4.38Å; V755-Q807 HydrophobicContact CG1-CB 4.28Å; V755-Q807 HydrophobicContact CG2-CB 4.3Å; T804-Q807 WeakPolarHBondContact O-CB 3.42Å; T804-Q807 PolarHBondContact O-N 3.31Å; T804-Q807 VanDerWaalsContact O-N 3.09Å; G805-Q807 VanDerWaalsContact C-N 3.34Å
808A71.6Confident80.4Confident4 Ų454.2 Ų54.23%0.03330%0.303CS..  trans-111135.4179.200000110.5I749 Q750 C751 I759 L800 T804I749-A808 HydrophobicContact CG2-CB 3.85Å; Q750-A808 WeakPolarHBondContact O-CA 3.46Å; C751-A808 HydrophobicContact CB-CB 4.03Å; I759-A808 HydrophobicContact CD1-CB 4.22Å; I759-A808 HydrophobicContact CG1-CB 4.33Å; L800-A808 HydrophobicContact CD2-CB 4.08Å; L800-A808 HydrophobicContact CG-CB 4.16Å; T804-A808 HydrophobicContact CG2-CB 3.67Å; T804-A808 WeakPolarHBondContact OG1-CB 3.49Å; T804-A808 PolarHBondContact OG1-N 2.9Å
809F67.9Low81Confident121 Ų12154.5 Ų54.553%0.53129%0.294SS..EExtended strand (participates in β ladder)trans-121108.5-178.4-64.1-88.4000109Q750Q750-F809 PolarHBondContact N-O 3.17Å; Q750-F809 PolarHBondContact O-N 3.44Å
810P79.9Confident81.3Confident24 Ų2451.8 Ų51.816%0.15628%0.28CS..EExtended strand (participates in β ladder)trans-86.4144.8178.831.7-26.3000110.9V747 E748 I749 F796 T797 L800V747-P810 HydrophobicContact CG1-CB 4.2Å; E748-P810 CarbonylContact O-C 3.47Å; I749-P810 HydrophobicContact CG1-CB 4.22Å; F796-P810 HydrophobicContact CD1-CB 4.15Å; F796-P810 HydrophobicContact CD1-CG 4.37Å; F796-P810 HydrophobicContact CE1-CB 3.5Å; F796-P810 VanDerWaalsContact CE1-CB 3.5Å; F796-P810 HydrophobicContact CE1-CG 4.12Å; F796-P810 HydrophobicContact CZ-CB 4.34Å; T797-P810 HydrophobicContact CG2-CG 3.97Å; L800-P810 HydrophobicContact CD2-CB 3.65Å; L800-P810 HydrophobicContact CD2-CG 3.59Å
811Q73.9Confident81.5Confident21 Ų2156.3 Ų56.310%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-128.3125.5166.7-62.1-166-14.900109.7H27 Q138 V747 E748H27-Q811 PolarHBondContact CD2-OE1 3.38Å; H27-Q811 VanDerWaalsContact CD2-OE1 3.29Å; H27-Q811 PolarHBondContact CE1-NE2 2.8Å; H27-Q811 PolarHBondContact NE2-NE2 3.22Å; H27-Q811 PolarHBondContact NE2-OE1 3.34Å; Q138-Q811 VanDerWaalsContact CD-NE2 3.35Å; Q138-Q811 VanDerWaalsContact NE2-NE2 3.12Å; V747-Q811 CarbonylContact C-O 3.59Å; V747-Q811 VanDerWaalsContact CA-O 3.25Å; V747-Q811 WeakPolarHBondContact CA-O 3.47Å; E748-Q811 PolarHBondContact N-O 2.96Å; E748-Q811 PolarHBondContact O-N 3.32Å
812C79.8Confident82.1Confident25 Ų2550 Ų5017%0.16930%0.298CS..EExtended strand (participates in β ladder)trans-109.5124.7-177.3-57.80000109.1V109 Y745 L746V109-C812 WeakPolarHBondContact CG2-O 3.49Å; Y745-C812 HydrophobicContact CD1-CB 4.46Å; Y745-C812 HydrophobicContact CD2-CB 3.62Å; Y745-C812 HydrophobicContact CE2-CB 4.14Å; Y745-C812 HydrophobicContact CG-CB 3.81Å; L746-C812 WeakPolarHBondContact O-CA 3.23Å
813V76.9Confident82.4Confident23 Ų2348 Ų4814%0.13928%0.279CS..EExtended strand (participates in β ladder)trans-123.7135.7173.9-176.40000108.2V109 Y745 L746 D815V109-V813 HydrophobicContact CB-CG2 4.04Å; V109-V813 HydrophobicContact CG1-CG2 3.45Å; V109-V813 VanDerWaalsContact CG1-CG2 3.45Å; V109-V813 HydrophobicContact CG2-CG2 4.5Å; Y745-V813 CarbonylContact C-O 3.52Å; Y745-V813 VanDerWaalsContact CA-O 3.22Å; Y745-V813 WeakPolarHBondContact CA-O 3.49Å; L746-V813 PolarHBondContact N-O 3.04Å; L746-V813 PolarHBondContact O-N 2.77Å; V813-D815 PolarHBondContact O-N 2.79Å
814F83.1Confident82.7Confident28 Ų2843.2 Ų43.212%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-56.5123.2171.3177.7-95.8000109.9V501 V504 P743 Y745 W817V501-F814 HydrophobicContact CG1-CB 4.21Å; V504-F814 HydrophobicContact CG1-CD2 4.05Å; V504-F814 HydrophobicContact CG1-CE2 4.3Å; P743-F814 HydrophobicContact CB-CD2 4.16Å; P743-F814 HydrophobicContact CB-CE2 3.71Å; Y745-F814 HydrophobicContact CD1-CB 4.36Å; Y745-F814 HydrophobicContact CE1-CB 4.29Å; F814-W817 HydrophobicContact CE2-CD2 4.45Å; F814-W817 HydrophobicContact CE2-CZ2 4.43Å; F814-W817 AromaticContact CZ-CD1 3.71Å; F814-W817 HydrophobicContact CZ-CD2 4.26Å; F814-W817 AromaticContact CZ-CE2 3.81Å; F814-W817 HydrophobicContact CZ-CG 4.2Å; F814-W817 HydrophobicContact CZ-CZ2 4.39Å; F814-W817 AromaticContact CZ-NE1 3.46Å
815D85.4Confident83Confident69 Ų6946.4 Ų46.437%0.36928%0.276SS..EExtended strand (participates in β ladder)trans-108.8-64.7-176.4-170.271.5000110.7V744 L746 Y787 V813V744-D815 PolarHBondContact O-N 3.31Å; L746-D815 HydrophobicContact CB-CB 3.78Å; Y787-D815 WeakPolarHBondContact CE1-OD2 3.32Å; V813-D815 PolarHBondContact O-N 2.79Å
816H88.5Confident83.8Confident53 Ų5347 Ų4725%0.24526%0.263CS..EExtended strand (participates in β ladder)trans-150.8173.4-177.765.9-83.4000113.2V744 Y787V744-H816 PolarHBondContact N-O 3.23Å; Y787-H816 AromaticContact CD1-CE1 3.84Å; Y787-H816 AromaticContact CE1-CE1 3.89Å
817W90.2Very high84.7Confident16 Ų1650.7 Ų50.76%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-96.3127.3169.1-66.196.3000109.4V504 S578 R580 R698 M741 P743 F814V504-W817 HydrophobicContact CG1-CH2 4.43Å; V504-W817 HydrophobicContact CG1-CZ2 4.5Å; S578-W817 WeakPolarHBondContact O-CZ3 3.49Å; R580-W817 HydrophobicContact CB-CE3 4.22Å; R580-W817 HydrophobicContact CB-CZ3 4.36Å; R580-W817 HydrophobicContact CG-CD2 3.77Å; R580-W817 HydrophobicContact CG-CE3 3.64Å; R580-W817 HydrophobicContact CG-CH2 3.66Å; R580-W817 HydrophobicContact CG-CZ2 3.79Å; R580-W817 HydrophobicContact CG-CZ3 3.57Å; R698-W817 VanDerWaalsContact NE-CD1 3.33Å; M741-W817 HydrophobicContact CB-CB 4.36Å; M741-W817 HydrophobicContact CB-CE3 4.38Å; M741-W817 HydrophobicContact CE-CB 3.57Å; M741-W817 WeakPolarHBondContact CE-O 3.45Å; M741-W817 HydrophobicContact SD-CB 4.23Å; P743-W817 HydrophobicContact CB-CE3 3.97Å; P743-W817 HydrophobicContact CB-CH2 4.04Å; P743-W817 HydrophobicContact CB-CZ3 3.68Å; P743-W817 HydrophobicContact CG-CH2 4.32Å; P743-W817 HydrophobicContact CG-CZ3 3.89Å; F814-W817 HydrophobicContact CE2-CD2 4.45Å; F814-W817 HydrophobicContact CE2-CZ2 4.43Å; F814-W817 AromaticContact CZ-CD1 3.71Å; F814-W817 HydrophobicContact CZ-CD2 4.26Å; F814-W817 AromaticContact CZ-CE2 3.81Å; F814-W817 HydrophobicContact CZ-CG 4.2Å; F814-W817 HydrophobicContact CZ-CZ2 4.39Å; F814-W817 AromaticContact CZ-NE1 3.46Å
818Q92.9Very high85.8Confident84 Ų8451.8 Ų51.839%0.39330%0.295SS..EExtended strand (participates in β ladder)trans-114.8139.7179.1-172.1177.315.900110.1M741 E742 V744 L820M741-Q818 CarbonylContact C-O 3.57Å; M741-Q818 WeakPolarHBondContact CA-O 3.47Å; M741-Q818 WeakPolarHBondContact CB-O 3.45Å; E742-Q818 PolarHBondContact N-O 3.4Å; E742-Q818 PolarHBondContact O-N 2.81Å; V744-Q818 HydrophobicContact CG2-CB 3.55Å; Q818-L820 PolarHBondContact O-N 3.1Å
819I93.8Very high86.8Confident73 Ų7352.2 Ų52.237%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-63.3124.6172.5-65.2173.1000108.8T582 T584 R739 M741 P821T582-I819 HydrophobicContact CG2-CG1 4.31Å; T584-I819 HydrophobicContact CG2-CD1 4.08Å; R739-I819 HydrophobicContact CB-CG2 4.05Å; R739-I819 HydrophobicContact CG-CG2 4.25Å; M741-I819 HydrophobicContact CE-CG1 4.39Å; M741-I819 HydrophobicContact CG-CG1 4.31Å; I819-P821 WeakPolarHBondContact O-CD 3.44Å
820L92.8Very high87.9Confident2 Ų250.7 Ų50.71%0.0129%0.288CS..PPolyproline II helixtrans-69.1121.5174-176.767000108.5L740 E742 Q818 G822 R830 P831 V834L740-L820 HydrophobicContact CD2-CD2 4.2Å; L740-L820 WeakPolarHBondContact O-CB 3.39Å; L740-L820 PolarHBondContact O-N 3.4Å; E742-L820 VanDerWaalsContact CD-CD1 3.5Å; E742-L820 HydrophobicContact CG-CD1 4.24Å; Q818-L820 PolarHBondContact O-N 3.1Å; L820-G822 PolarHBondContact O-N 3.13Å; L820-R830 HydrophobicContact CD2-CG 4.5Å; L820-P831 HydrophobicContact CB-CG 4.32Å; L820-P831 HydrophobicContact CD2-CB 4.12Å; L820-P831 HydrophobicContact CD2-CG 3.77Å; L820-P831 HydrophobicContact CG-CG 3.87Å; L820-V834 HydrophobicContact CD2-CG2 4.47Å
821P89.9Confident88.5Confident94 Ų9449.6 Ų49.661%0.6128%0.281SS*.SBendtrans-61.1128.7-176.1-25.435.1000112.8I819 P831I819-P821 WeakPolarHBondContact O-CD 3.44Å; P821-P831 WeakPolarHBondContact O-CD 3.48Å
822G90.8Very high89.5Confident39 Ų3950.4 Ų50.440%0.40228%0.284SS..SBendtrans123166.1179.100000113.1L820L820-G822 PolarHBondContact O-N 3.13Å
823D91.2Very high90.1Very high54 Ų5454.1 Ų54.129%0.28930%0.299SS..  trans-96.5123.4175.6-166.5-52.9000110.1R739 S825 D826 S829R739-D823 IonicContact CZ-OD2 3.61Å; R739-D823 IonicContact NH1-OD1 3.06Å; R739-D823 IonicContact NH1-OD2 3.32Å; R739-D823 PolarHBondContact NH1-OD2 3.19Å; R739-D823 IonicContact NH2-OD2 2.68Å; R739-D823 PolarHBondContact NH2-OD2 2.86Å; D823-S825 PolarHBondContact O-N 3.42Å; D823-S825 WeakPolarHBondContact OD1-CA 3.09Å; D823-S825 WeakPolarHBondContact OD1-CB 3.48Å; D823-S825 PolarHBondContact OD1-N 2.88Å; D823-S825 PolarHBondContact OD1-OG 3.37Å; D823-D826 HydrophobicContact CB-CB 4.47Å; D823-D826 PolarHBondContact O-N 3.35Å; D823-S829 WeakPolarHBondContact O-CB 3.48Å; D823-S829 PolarHBondContact O-OG 3.17Å
824P91.9Very high90.8Very high0 Ų053.7 Ų53.70%030%0.297CS..THydrogen-bonded Turntrans-61.4-13.517927.6-35.4000114L692 P738 P831 F832 V835 I848L692-P824 HydrophobicContact CD1-CB 4.37Å; L692-P824 HydrophobicContact CD1-CG 4.14Å; P738-P824 VanDerWaalsContact O-CD 3.3Å; P738-P824 WeakPolarHBondContact O-CD 3.43Å; P738-P824 WeakPolarHBondContact O-CG 3.26Å; P824-P831 HydrophobicContact CB-CB 4.06Å; P824-F832 WeakPolarHBondContact O-CB 3.49Å; P824-F832 WeakPolarHBondContact O-CD2 3.49Å; P824-V835 HydrophobicContact CB-CG2 4.31Å; P824-I848 HydrophobicContact CB-CD1 4.12Å; P824-I848 WeakPolarHBondContact O-CD1 3.21Å
825S87.8Confident91.3Very high72 Ų7252.4 Ų52.450%0.50329%0.291SS..THydrogen-bonded Turntrans-84.8-18.8176.1-40.90000113.5D823D823-S825 PolarHBondContact O-N 3.42Å; D823-S825 WeakPolarHBondContact OD1-CA 3.09Å; D823-S825 WeakPolarHBondContact OD1-CB 3.48Å; D823-S825 PolarHBondContact OD1-N 2.88Å; D823-S825 PolarHBondContact OD1-OG 3.37Å
826D92.1Very high91.6Very high78 Ų7850.8 Ų50.842%0.41729%0.285SS..SBendtrans-83.7114.9175.7175.31.6000109.9D823 T828 S829 F832D823-D826 HydrophobicContact CB-CB 4.47Å; D823-D826 PolarHBondContact O-N 3.35Å; D826-T828 VanDerWaalsContact CG-OG1 3.3Å; D826-T828 PolarHBondContact O-N 2.91Å; D826-T828 VanDerWaalsContact O-N 3.1Å; D826-T828 PolarHBondContact OD1-N 3.47Å; D826-T828 PolarHBondContact OD1-OG1 2.76Å; D826-T828 PolarHBondContact OD2-OG1 2.74Å; D826-S829 VanDerWaalsContact O-CB 3.23Å; D826-S829 WeakPolarHBondContact O-CB 3.41Å; D826-S829 PolarHBondContact O-N 2.92Å; D826-S829 PolarHBondContact O-OG 3.41Å; D826-F832 WeakPolarHBondContact O-CB 3.31Å
827V90.1Very high91.6Very high97 Ų9754.6 Ų54.659%0.58830%0.303SS*.THydrogen-bonded Turntrans-56.6-27.8-177.9-175.50000113.1S829 F832V827-S829 VanDerWaalsContact C-N 3.35Å; V827-F832 HydrophobicContact CB-CD1 4.36Å; V827-F832 HydrophobicContact CB-CE1 4.23Å; V827-F832 HydrophobicContact CB-CZ 4.34Å; V827-F832 HydrophobicContact CG1-CD1 4.19Å; V827-F832 HydrophobicContact CG1-CE1 3.78Å; V827-F832 HydrophobicContact CG1-CZ 4.14Å; V827-F832 HydrophobicContact CG2-CD2 4.37Å; V827-F832 HydrophobicContact CG2-CE1 4.34Å; V827-F832 HydrophobicContact CG2-CE2 3.95Å; V827-F832 HydrophobicContact CG2-CZ 3.94Å
828T91Very high91.5Very high111 Ų11154 Ų5468%0.68130%0.301SS*.THydrogen-bonded Turntrans-83.9-14-179.9680000113.3D826D826-T828 VanDerWaalsContact CG-OG1 3.3Å; D826-T828 PolarHBondContact O-N 2.91Å; D826-T828 VanDerWaalsContact O-N 3.1Å; D826-T828 PolarHBondContact OD1-N 3.47Å; D826-T828 PolarHBondContact OD1-OG1 2.76Å; D826-T828 PolarHBondContact OD2-OG1 2.74Å
829S93.2Very high91.4Very high12 Ų1250.8 Ų50.88%0.08429%0.285CS..SBendtrans-76.2151.5-176.5820000112.3D823 D826 V827 F832 Q833D823-S829 WeakPolarHBondContact O-CB 3.48Å; D823-S829 PolarHBondContact O-OG 3.17Å; D826-S829 VanDerWaalsContact O-CB 3.23Å; D826-S829 WeakPolarHBondContact O-CB 3.41Å; D826-S829 PolarHBondContact O-N 2.92Å; D826-S829 PolarHBondContact O-OG 3.41Å; V827-S829 VanDerWaalsContact C-N 3.35Å; S829-F832 PolarHBondContact O-N 3.47Å; S829-F832 WeakPolarHBondContact OG-CB 3.24Å; S829-F832 PolarHBondContact OG-N 2.94Å; S829-F832 VanDerWaalsContact OG-N 3.14Å; S829-Q833 WeakPolarHBondContact O-CG 3.27Å; S829-Q833 PolarHBondContact O-N 3.2Å
830R90.4Very high91.2Very high90 Ų9054.5 Ų54.534%0.3430%0.298SS..Hα-helixtrans-62.8-42.3173.3-173.2174.4-1801631.2112.8R767 E792 L820 F832 Q833 V834R767-R830 VanDerWaalsContact NE-NH1 3.1Å; E792-R830 IonicContact OE1-CZ 2.86Å; E792-R830 IonicContact OE1-NH1 2.83Å; E792-R830 PolarHBondContact OE1-NH1 2.92Å; E792-R830 IonicContact OE1-NH2 3.24Å; E792-R830 PolarHBondContact OE1-NH2 3.27Å; L820-R830 HydrophobicContact CD2-CG 4.5Å; R830-F832 VanDerWaalsContact C-N 3.33Å; R830-F832 PolarHBondContact O-N 3.05Å; R830-Q833 PolarHBondContact O-N 3.23Å; R830-V834 HydrophobicContact CG-CG2 4.47Å; R830-V834 WeakPolarHBondContact O-CG2 3.13Å; R830-V834 PolarHBondContact O-N 3.27Å
831P93.6Very high90.7Very high0 Ų057.9 Ų57.90%031%0.311CS..Hα-helixtrans-54.9-42.5172.8-2734.2000113.9L820 P821 P824 Q833 V834 V835L820-P831 HydrophobicContact CB-CG 4.32Å; L820-P831 HydrophobicContact CD2-CB 4.12Å; L820-P831 HydrophobicContact CD2-CG 3.77Å; L820-P831 HydrophobicContact CG-CG 3.87Å; P821-P831 WeakPolarHBondContact O-CD 3.48Å; P824-P831 HydrophobicContact CB-CB 4.06Å; P831-Q833 PolarHBondContact O-N 3.31Å; P831-V834 PolarHBondContact O-N 3.47Å; P831-V835 WeakPolarHBondContact O-CB 3.33Å; P831-V835 VanDerWaalsContact O-CG2 3.27Å; P831-V835 WeakPolarHBondContact O-CG2 3.27Å; P831-V835 PolarHBondContact O-N 3.38Å
832F93.9Very high90.4Very high39 Ų3954.7 Ų54.717%0.17129%0.288CS..Hα-helixtrans-62.6-42.8177.9178.8-82.4000112P824 D826 V827 S829 R830 V835 S836P824-F832 WeakPolarHBondContact O-CB 3.49Å; P824-F832 WeakPolarHBondContact O-CD2 3.49Å; D826-F832 WeakPolarHBondContact O-CB 3.31Å; V827-F832 HydrophobicContact CB-CD1 4.36Å; V827-F832 HydrophobicContact CB-CE1 4.23Å; V827-F832 HydrophobicContact CB-CZ 4.34Å; V827-F832 HydrophobicContact CG1-CD1 4.19Å; V827-F832 HydrophobicContact CG1-CE1 3.78Å; V827-F832 HydrophobicContact CG1-CZ 4.14Å; V827-F832 HydrophobicContact CG2-CD2 4.37Å; V827-F832 HydrophobicContact CG2-CE1 4.34Å; V827-F832 HydrophobicContact CG2-CE2 3.95Å; V827-F832 HydrophobicContact CG2-CZ 3.94Å; S829-F832 PolarHBondContact O-N 3.47Å; S829-F832 WeakPolarHBondContact OG-CB 3.24Å; S829-F832 PolarHBondContact OG-N 2.94Å; S829-F832 VanDerWaalsContact OG-N 3.14Å; R830-F832 VanDerWaalsContact C-N 3.33Å; R830-F832 PolarHBondContact O-N 3.05Å; F832-V835 PolarHBondContact O-N 2.95Å; F832-S836 WeakPolarHBondContact CE1-OG 3.41Å; F832-S836 VanDerWaalsContact O-CB 3.29Å; F832-S836 WeakPolarHBondContact O-CB 3.4Å; F832-S836 PolarHBondContact O-N 3.42Å; F832-S836 PolarHBondContact O-OG 3Å
833Q92.7Very high90.1Very high102 Ų10256 Ų5648%0.47730%0.302SS..Hα-helixtrans-60.8-48.3178.2-67.6172.39.600110.9S829 R830 P831 S836 E837S829-Q833 WeakPolarHBondContact O-CG 3.27Å; S829-Q833 PolarHBondContact O-N 3.2Å; R830-Q833 PolarHBondContact O-N 3.23Å; P831-Q833 PolarHBondContact O-N 3.31Å; Q833-S836 PolarHBondContact O-N 3.24Å; Q833-E837 WeakPolarHBondContact O-CG 3.01Å; Q833-E837 PolarHBondContact O-N 3.33Å
834V91.5Very high90Very high15 Ų1554.9 Ų54.99%0.09130%0.295CS..Hα-helixtrans-62.3-46.2178.1174.50000111.3Y579 L740 L820 R830 P831 S836 E837 I838Y579-V834 HydrophobicContact CD1-CG1 4.47Å; Y579-V834 HydrophobicContact CD2-CG1 4.03Å; Y579-V834 HydrophobicContact CE1-CG1 4.04Å; Y579-V834 HydrophobicContact CE2-CG1 3.53Å; Y579-V834 HydrophobicContact CG-CG1 4.47Å; L740-V834 HydrophobicContact CD2-CB 4.13Å; L740-V834 HydrophobicContact CD2-CG1 3.66Å; L820-V834 HydrophobicContact CD2-CG2 4.47Å; R830-V834 HydrophobicContact CG-CG2 4.47Å; R830-V834 WeakPolarHBondContact O-CG2 3.13Å; R830-V834 PolarHBondContact O-N 3.27Å; P831-V834 PolarHBondContact O-N 3.47Å; V834-S836 VanDerWaalsContact C-N 3.31Å; V834-S836 PolarHBondContact O-N 2.86Å; V834-E837 PolarHBondContact O-N 2.85Å; V834-I838 HydrophobicContact CG1-CD1 3.78Å; V834-I838 HydrophobicContact CG1-CG1 4.42Å; V834-I838 VanDerWaalsContact O-CG1 3.27Å; V834-I838 WeakPolarHBondContact O-CG1 3.06Å; V834-I838 PolarHBondContact O-N 3.43Å
835V92.8Very high89.8Confident1 Ų162.7 Ų62.71%0.00633%0.329CS..Hα-helixtrans-57.7-45.9175.6164.80000110.5C693 L740 P824 P831 F832 I838 R839 I848C693-V835 HydrophobicContact CB-CG1 4.2Å; L740-V835 HydrophobicContact CD1-CG2 4.37Å; L740-V835 HydrophobicContact CD2-CG2 4.29Å; P824-V835 HydrophobicContact CB-CG2 4.31Å; P831-V835 WeakPolarHBondContact O-CB 3.33Å; P831-V835 VanDerWaalsContact O-CG2 3.27Å; P831-V835 WeakPolarHBondContact O-CG2 3.27Å; P831-V835 PolarHBondContact O-N 3.38Å; F832-V835 PolarHBondContact O-N 2.95Å; V835-I838 PolarHBondContact O-N 2.9Å; V835-R839 HydrophobicContact CG1-CG 4.4Å; V835-R839 WeakPolarHBondContact O-CB 3.23Å; V835-R839 VanDerWaalsContact O-CG 3.24Å; V835-R839 WeakPolarHBondContact O-CG 3.44Å; V835-R839 PolarHBondContact O-N 3.24Å; V835-I848 HydrophobicContact CG1-CG1 4.24Å
836S92.2Very high89.8Confident35 Ų3566.8 Ų66.825%0.24534%0.34CS..Hα-helixtrans-63.9-42.3180-62.40000112.3F832 Q833 V834 R839 K840F832-S836 WeakPolarHBondContact CE1-OG 3.41Å; F832-S836 VanDerWaalsContact O-CB 3.29Å; F832-S836 WeakPolarHBondContact O-CB 3.4Å; F832-S836 PolarHBondContact O-N 3.42Å; F832-S836 PolarHBondContact O-OG 3Å; Q833-S836 PolarHBondContact O-N 3.24Å; V834-S836 VanDerWaalsContact C-N 3.31Å; V834-S836 PolarHBondContact O-N 2.86Å; S836-R839 PolarHBondContact O-N 2.82Å; S836-K840 VanDerWaalsContact O-CB 3.32Å; S836-K840 WeakPolarHBondContact O-CB 3.44Å; S836-K840 PolarHBondContact O-N 3.39Å
837E89.5Confident89.6Confident132 Ų13264.3 Ų64.362%0.61733%0.333SS*.Hα-helixtrans-63.3-45.3175.5-74.6178.1176.700112.2Q833 V834 K840 R841Q833-E837 WeakPolarHBondContact O-CG 3.01Å; Q833-E837 PolarHBondContact O-N 3.33Å; V834-E837 PolarHBondContact O-N 2.85Å; E837-K840 PolarHBondContact O-N 3.06Å; E837-R841 WeakPolarHBondContact O-CB 3.32Å; E837-R841 PolarHBondContact O-N 2.94Å
838I88.2Confident89.4Confident4 Ų461.9 Ų61.92%0.02132%0.316CS..Hα-helixtrans-62.1-46.6177.1-67167.9000110.3Y579 C693 V834 V835 K840 R841 K842Y579-I838 HydrophobicContact CD2-CD1 3.64Å; Y579-I838 HydrophobicContact CE2-CD1 4.12Å; Y579-I838 HydrophobicContact CG-CD1 4.42Å; C693-I838 HydrophobicContact CB-CB 4.11Å; C693-I838 HydrophobicContact CB-CG2 3.79Å; V834-I838 HydrophobicContact CG1-CD1 3.78Å; V834-I838 HydrophobicContact CG1-CG1 4.42Å; V834-I838 VanDerWaalsContact O-CG1 3.27Å; V834-I838 WeakPolarHBondContact O-CG1 3.06Å; V834-I838 PolarHBondContact O-N 3.43Å; V835-I838 PolarHBondContact O-N 2.9Å; I838-K840 PolarHBondContact O-N 3.47Å; I838-R841 PolarHBondContact O-N 3.29Å; I838-K842 HydrophobicContact CG2-CD 4.04Å; I838-K842 HydrophobicContact CG2-CG 4.45Å; I838-K842 WeakPolarHBondContact O-CB 3.29Å; I838-K842 WeakPolarHBondContact O-CG 3.38Å; I838-K842 PolarHBondContact O-N 2.73Å
839R90.1Very high89.4Confident16 Ų1657.3 Ų57.36%0.0629%0.289CS..Hα-helixtrans-61.1-44.7178.7-72.2-178.276.974.56.8111.5L692 C693 V835 S836 R841 K842 G843 L844 K845 G847L692-R839 VanDerWaalsContact O-CD 3.31Å; L692-R839 WeakPolarHBondContact O-CD 3.42Å; L692-R839 PolarHBondContact O-NH1 3.36Å; C693-R839 HydrophobicContact CB-CG 3.87Å; V835-R839 HydrophobicContact CG1-CG 4.4Å; V835-R839 WeakPolarHBondContact O-CB 3.23Å; V835-R839 VanDerWaalsContact O-CG 3.24Å; V835-R839 WeakPolarHBondContact O-CG 3.44Å; V835-R839 PolarHBondContact O-N 3.24Å; S836-R839 PolarHBondContact O-N 2.82Å; R839-R841 PolarHBondContact O-N 3.1Å; R839-K842 PolarHBondContact O-N 3.02Å; R839-G843 PolarHBondContact O-N 3.26Å; R839-G843 VanDerWaalsContact O-N 3.09Å; R839-L844 HydrophobicContact CB-CB 4.1Å; R839-L844 HydrophobicContact CG-CB 4.38Å; R839-L844 HydrophobicContact CG-CD1 4.27Å; R839-L844 PolarHBondContact O-N 3.1Å; R839-K845 VanDerWaalsContact CZ-O 3.22Å; R839-K845 PolarHBondContact NE-O 3.25Å; R839-K845 PolarHBondContact NH2-O 3.38Å; R839-G847 WeakPolarHBondContact CD-O 3.48Å; R839-G847 PolarHBondContact NE-O 3.14Å
840K89.4Confident89.2Confident151 Ų15159.3 Ų59.366%0.65731%0.305SS*.Hα-helixtrans-60.8-44.3176.3-176.1177.3-179.71780111.7S836 E837 I838 G843S836-K840 VanDerWaalsContact O-CB 3.32Å; S836-K840 WeakPolarHBondContact O-CB 3.44Å; S836-K840 PolarHBondContact O-N 3.39Å; E837-K840 PolarHBondContact O-N 3.06Å; I838-K840 PolarHBondContact O-N 3.47Å; K840-G843 PolarHBondContact O-N 2.98Å
841R82.9Confident89.2Confident73 Ų7357.1 Ų57.128%0.27530%0.3SS..Hα-helixtrans-62-44.9177.1-175.1-179.767.9-136.60.3111.9E837 I838 R839 G843E837-R841 WeakPolarHBondContact O-CB 3.32Å; E837-R841 PolarHBondContact O-N 2.94Å; I838-R841 PolarHBondContact O-N 3.29Å; R839-R841 PolarHBondContact O-N 3.1Å; R841-G843 PolarHBondContact O-N 3.13Å
842K82.9Confident89Confident28 Ų2863.2 Ų63.212%0.12233%0.333CS..THydrogen-bonded Turntrans-72.5-5177.2-70.7-176.9179.9170.60113.7C693 E694 E695 I838 R839 L844C693-K842 PolarHBondContact O-NZ 2.75Å; E694-K842 HydrophobicContact CB-CD 4.37Å; E694-K842 PolarHBondContact O-NZ 3.48Å; E695-K842 IonicContact OE1-NZ 3.77Å; E695-K842 PolarHBondContact OE1-NZ 3.15Å; I838-K842 HydrophobicContact CG2-CD 4.04Å; I838-K842 HydrophobicContact CG2-CG 4.45Å; I838-K842 WeakPolarHBondContact O-CB 3.29Å; I838-K842 WeakPolarHBondContact O-CG 3.38Å; I838-K842 PolarHBondContact O-N 2.73Å; R839-K842 PolarHBondContact O-N 3.02Å; K842-L844 HydrophobicContact CB-CD1 3.99Å; K842-L844 HydrophobicContact CB-CG 3.78Å; K842-L844 HydrophobicContact CD-CD1 4.15Å; K842-L844 PolarHBondContact O-N 3.02Å
843G84.9Confident88.8Confident67 Ų6765 Ų6569%0.69134%0.344SS*.THydrogen-bonded Turntrans70.420.2-175.800000113.9R839 K840 R841R839-G843 PolarHBondContact O-N 3.26Å; R839-G843 VanDerWaalsContact O-N 3.09Å; K840-G843 PolarHBondContact O-N 2.98Å; R841-G843 PolarHBondContact O-N 3.13Å
844L88.3Confident88.9Confident29 Ų2962.2 Ų62.215%0.15233%0.33CS..PPolyproline II helixtrans-77.7158.5177.8-58.1176.3000110.9E694 R839 K842 E846E694-L844 HydrophobicContact CB-CD1 3.98Å; E694-L844 HydrophobicContact CG-CD1 3.69Å; E694-L844 WeakPolarHBondContact OE2-CD2 3.38Å; R839-L844 HydrophobicContact CB-CB 4.1Å; R839-L844 HydrophobicContact CG-CB 4.38Å; R839-L844 HydrophobicContact CG-CD1 4.27Å; R839-L844 PolarHBondContact O-N 3.1Å; K842-L844 HydrophobicContact CB-CD1 3.99Å; K842-L844 HydrophobicContact CB-CG 3.78Å; K842-L844 HydrophobicContact CD-CD1 4.15Å; K842-L844 PolarHBondContact O-N 3.02Å; L844-E846 PolarHBondContact O-N 2.79Å
845K89.3Confident88.9Confident165 Ų16563.1 Ų63.172%0.71733%0.334SS*.PPolyproline II helixtrans-55.2129.5175.1-175.6177.5178.8-179.50110.5R839R839-K845 VanDerWaalsContact CZ-O 3.22Å; R839-K845 PolarHBondContact NE-O 3.25Å; R839-K845 PolarHBondContact NH2-O 3.38Å
846E87.6Confident88.6Confident158 Ų15865.5 Ų65.574%0.73835%0.346SS*.SBendtrans-60.4146.6179.6-65.1-173.7166.400112.4L844L844-E846 PolarHBondContact O-N 2.79Å
847G86.1Confident88.3Confident25 Ų2572.1 Ų72.126%0.25837%0.371SS..SBendtrans79.3167.2-17600000114R839R839-G847 WeakPolarHBondContact CD-O 3.48Å; R839-G847 PolarHBondContact NE-O 3.14Å
848I87.1Confident87.6Confident47 Ų4773 Ų7324%0.24138%0.379CS..PPolyproline II helixtrans-70.6135.7176.1-67.5-178.6000109.5L692 L734 P824 V835 A850L692-I848 HydrophobicContact CD2-CD1 4.06Å; L692-I848 HydrophobicContact CD2-CG1 4.49Å; L692-I848 HydrophobicContact CD2-CG2 4.2Å; L734-I848 HydrophobicContact CD2-CG2 4.07Å; P824-I848 HydrophobicContact CB-CD1 4.12Å; P824-I848 WeakPolarHBondContact O-CD1 3.21Å; V835-I848 HydrophobicContact CG1-CG1 4.24Å; I848-A850 PolarHBondContact O-N 2.86Å
849P90Very high87.6Confident15 Ų1576.4 Ų76.410%0.09740%0.397CS..PPolyproline II helixtrans-54.7126.6173.7-29.839.3000112.4A691 L734 Y854A691-P849 WeakPolarHBondContact O-CD 3.35Å; A691-P849 WeakPolarHBondContact O-CG 3.45Å; L734-P849 WeakPolarHBondContact CD1-O 3.16Å; P849-Y854 HydrophobicContact CB-CE2 3.57Å; P849-Y854 HydrophobicContact CG-CE2 4.5Å
850A89.1Confident87.4Confident53 Ų5379.6 Ų79.644%0.43841%0.414SS..PPolyproline II helixtrans-62.8142.4173.800000111.1I848 D852 N853I848-A850 PolarHBondContact O-N 2.86Å; A850-D852 PolarHBondContact O-N 3.24Å; A850-N853 PolarHBondContact N-ND2 2.84Å; A850-N853 VanDerWaalsContact O-CB 3.26Å; A850-N853 WeakPolarHBondContact O-CB 3.48Å; A850-N853 PolarHBondContact O-N 3.19Å; A850-N853 PolarHBondContact O-ND2 3.49Å
851L90.8Very high87.3Confident45 Ų4575.6 Ų75.624%0.23640%0.401CS..G310 helixtrans-55.5-35.5177.8-179.460.3000112.5A731 L734 T735 N853 Y854 L855A731-L851 HydrophobicContact CB-CD1 3.99Å; L734-L851 HydrophobicContact CB-CD1 4.24Å; T735-L851 HydrophobicContact CG2-CD1 3.8Å; T735-L851 HydrophobicContact CG2-CD2 3.64Å; T735-L851 HydrophobicContact CG2-CG 4.39Å; L851-N853 PolarHBondContact O-N 3.09Å; L851-Y854 PolarHBondContact O-N 2.91Å; L851-L855 HydrophobicContact CD1-CB 4.02Å; L851-L855 HydrophobicContact CD2-CD2 3.99Å; L851-L855 HydrophobicContact CG-CB 3.94Å; L851-L855 HydrophobicContact CG-CD2 4.1Å; L851-L855 PolarHBondContact O-N 3.39Å
852D90.2Very high87.6Confident128 Ų12875.8 Ų75.868%0.68441%0.408SS*.G310 helixtrans-59.8-16.7177.7-68.8-22.9000113.9A850 Y854A850-D852 PolarHBondContact O-N 3.24Å; D852-Y854 PolarHBondContact O-N 2.93Å
853N90Very high87.9Confident76 Ų7678.8 Ų78.841%0.40643%0.426SS..G310 helixtrans-70.9-24.8174-64-31.9000112.4K727 A850 L851K727-N853 PolarHBondContact NZ-O 3.3Å; A850-N853 PolarHBondContact N-ND2 2.84Å; A850-N853 VanDerWaalsContact O-CB 3.26Å; A850-N853 WeakPolarHBondContact O-CB 3.48Å; A850-N853 PolarHBondContact O-N 3.19Å; A850-N853 PolarHBondContact O-ND2 3.49Å; L851-N853 PolarHBondContact O-N 3.09Å
854Y93.1Very high88.1Confident43 Ų4379.5 Ų79.517%0.16941%0.409CS..THydrogen-bonded Turntrans-121.1-33.7-168.8-55.7-61.7000113.4K727 Y730 L734 P849 L851 D852K727-Y854 HydrophobicContact CG-CD1 4.22Å; Y730-Y854 HydrophobicContact CD2-CD1 4.02Å; Y730-Y854 AromaticContact CD2-CE1 3.59Å; Y730-Y854 HydrophobicContact CD2-CE1 3.59Å; Y730-Y854 AromaticContact CD2-CZ 3.94Å; Y730-Y854 HydrophobicContact CE2-CE1 4.42Å; Y730-Y854 HydrophobicContact CG-CE1 4.39Å; L734-Y854 HydrophobicContact CD1-CD2 3.69Å; L734-Y854 HydrophobicContact CD1-CE2 3.84Å; P849-Y854 HydrophobicContact CB-CE2 3.57Å; P849-Y854 HydrophobicContact CG-CE2 4.5Å; L851-Y854 PolarHBondContact O-N 2.91Å; D852-Y854 PolarHBondContact O-N 2.93Å
855L92.6Very high88Confident35 Ų3583.1 Ų83.118%0.18343%0.427CS..PPolyproline II helixtrans-84.6117.6-178.6-173.371.1000111.2C591 A731 L851C591-L855 HydrophobicContact CB-CD1 4.14Å; A731-L855 HydrophobicContact CB-CB 4.43Å; A731-L855 HydrophobicContact CB-CD1 4.48Å; L851-L855 HydrophobicContact CD1-CB 4.02Å; L851-L855 HydrophobicContact CD2-CD2 3.99Å; L851-L855 HydrophobicContact CG-CB 3.94Å; L851-L855 HydrophobicContact CG-CD2 4.1Å; L851-L855 PolarHBondContact O-N 3.39Å
856D87.1Confident87.9Confident50 Ų5076.8 Ų76.827%0.26741%0.405SS..PPolyproline II helixtrans-91.8142.2172.7-70.3-55.3000111L592 S593 K594L592-D856 HydrophobicContact CG-CB 4.5Å; L592-D856 PolarHBondContact O-N 2.9Å; S593-D856 WeakPolarHBondContact CA-OD2 3.49Å; S593-D856 PolarHBondContact OG-OD2 2.9Å; K594-D856 HydrophobicContact CD-CB 4.2Å; K594-D856 HydrophobicContact CG-CB 3.99Å; K594-D856 PolarHBondContact N-OD2 2.8Å
857K85.8Confident88Confident175 Ų17570.1 Ų70.176%0.76138%0.377SS*.PPolyproline II helixtrans-84.6149.1169.5-65179.4-178176.40110.2K594K594-K857 WeakPolarHBondContact CE-O 3.25Å; K594-K857 PolarHBondContact NZ-O 2.85Å
858L74Confident88.1Confident149 Ų14974.2 Ų74.278%0.7839%0.388SS*.  trans-52.90-176.2-92.3164.5000114.8L592 K594 R601 F603L592-L858 HydrophobicContact CD2-CB 4.43Å; L592-L858 HydrophobicContact CD2-CD2 3.87Å; L592-L858 HydrophobicContact CD2-CG 3.77Å; K594-L858 WeakPolarHBondContact CE-OXT 3.38Å; K594-L858 PolarHBondContact NZ-O 2.87Å; K594-L858 PolarHBondContact NZ-OXT 2.88Å; R601-L858 PolarHBondContact NH1-OXT 2.89Å; F603-L858 HydrophobicContact CE1-CD2 4.22Å; F603-L858 HydrophobicContact CZ-CD2 3.95Å

Retrieved 858 of 858 residues in 933.3 ms (Link to these results)

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