A0A087XZA5_POEFO Loading...

DNA (cytosine-5-)-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XZA5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,275 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1D64.1Low79.1Confident162 Ų16258.5 Ų58.587%0.86633%0.333SS*.  0-96.40-62.833.5000111.6M3 A4 V5D1-M3 PolarHBondContact O-N 3.35Å; D1-A4 PolarHBondContact O-N 2.94Å; D1-V5 PolarHBondContact O-N 3.19Å
2I74Confident80.4Confident39 Ų3953.8 Ų53.820%0.231%0.306CS..Hα-helixtrans-52.7-50.8-170.8-60.9-178.5000112.3A4 V5 V6 I32 K45I2-A4 PolarHBondContact O-N 3.35Å; I2-V5 PolarHBondContact O-N 3.37Å; I2-V5 VanDerWaalsContact O-N 3.07Å; I2-V6 PolarHBondContact O-N 2.71Å; I2-I32 HydrophobicContact CD1-CG2 4.35Å; I2-I32 HydrophobicContact CG2-CD1 4.08Å; I2-I32 HydrophobicContact CG2-CG2 4.17Å; I2-K45 HydrophobicContact CD1-CB 4.18Å; I2-K45 HydrophobicContact CD1-CD 3.83Å; I2-K45 HydrophobicContact CG1-CD 3.91Å
3M74.8Confident81.4Confident80 Ų8049.7 Ų49.739%0.39428%0.283SS..Hα-helixtrans-53.1-55.4179.9-51.1-163.3-33.200111.7D1 V5 V6 T7 E87 L88D1-M3 PolarHBondContact O-N 3.35Å; M3-V5 PolarHBondContact O-N 2.88Å; M3-V6 CarbonylContact O-C 3.57Å; M3-V6 PolarHBondContact O-N 3.44Å; M3-T7 PolarHBondContact O-N 3.18Å; M3-T7 PolarHBondContact O-OG1 3.07Å; M3-E87 HydrophobicContact CE-CB 4.37Å; M3-E87 HydrophobicContact SD-CB 3.83Å; M3-L88 HydrophobicContact CG-CD2 4.42Å
4A71.6Confident82.3Confident75 Ų7546.4 Ų46.462%0.6226%0.263SS*.Hα-helixtrans-61.2-14.7-178.900000114.7D1 I2D1-A4 PolarHBondContact O-N 2.94Å; I2-A4 PolarHBondContact O-N 3.35Å
5V76.5Confident83Confident34 Ų3443.3 Ų43.321%0.20625%0.246CC..Hα-helixtrans-89.3-34171.7178.60000111.8D1 I2 M3 R9 Y34D1-V5 PolarHBondContact O-N 3.19Å; I2-V5 PolarHBondContact O-N 3.37Å; I2-V5 VanDerWaalsContact O-N 3.07Å; M3-V5 PolarHBondContact O-N 2.88Å; V5-R9 VanDerWaalsContact O-CB 3.29Å; V5-R9 WeakPolarHBondContact O-CB 3.36Å; V5-R9 WeakPolarHBondContact O-CD 3.48Å; V5-R9 WeakPolarHBondContact O-CG 3.46Å; V5-Y34 HydrophobicContact CB-CE2 4.43Å; V5-Y34 HydrophobicContact CG1-CD2 3.76Å; V5-Y34 HydrophobicContact CG1-CE2 3.47Å; V5-Y34 VanDerWaalsContact CG1-CE2 3.47Å; V5-Y34 HydrophobicContact CG1-CG 4.42Å
6V81Confident83.4Confident0 Ų040.8 Ų40.80%023%0.231CC..Hα-helixtrans-98.3-6-177.2-56.10000114.7I2 M3 D8 Y11 I32 Y34 L88 P89 N92I2-V6 PolarHBondContact O-N 2.71Å; M3-V6 CarbonylContact O-C 3.57Å; M3-V6 PolarHBondContact O-N 3.44Å; V6-D8 PolarHBondContact O-N 2.88Å; V6-Y11 HydrophobicContact CB-CD1 3.73Å; V6-Y11 HydrophobicContact CB-CE1 4.21Å; V6-Y11 HydrophobicContact CB-CG 4.3Å; V6-Y11 HydrophobicContact CG1-CD1 4.07Å; V6-Y11 HydrophobicContact CG1-CG 4.14Å; V6-Y11 HydrophobicContact CG2-CD1 4.36Å; V6-Y11 HydrophobicContact CG2-CE1 4.43Å; V6-I32 HydrophobicContact CG1-CD1 4.16Å; V6-Y34 HydrophobicContact CG1-CD1 4.08Å; V6-Y34 HydrophobicContact CG1-CG 4.43Å; V6-L88 HydrophobicContact CG2-CD2 3.87Å; V6-P89 WeakPolarHBondContact O-CG 3.3Å; V6-N92 PolarHBondContact O-ND2 2.85Å
7T81.5Confident83.5Confident75 Ų7539.4 Ų39.446%0.4622%0.224SC..SBendtrans-49.6-46.5170.5-60.70000111.3M3 N92M3-T7 PolarHBondContact O-N 3.18Å; M3-T7 PolarHBondContact O-OG1 3.07Å; T7-N92 PolarHBondContact O-ND2 2.89Å
8D77.6Confident83.2Confident139 Ų13939.1 Ų39.174%0.74323%0.23SC*.SBendtrans-113.8-0.1-174.9-57.3-56.8000114V6V6-D8 PolarHBondContact O-N 2.88Å
9R84.9Confident83.2Confident33 Ų3337.8 Ų37.813%0.12522%0.223CC..SBendtrans-121.1144.3-174.2-62.7-177.9171142.15.9113.2V5 D36 E37 H38V5-R9 VanDerWaalsContact O-CB 3.29Å; V5-R9 WeakPolarHBondContact O-CB 3.36Å; V5-R9 WeakPolarHBondContact O-CD 3.48Å; V5-R9 WeakPolarHBondContact O-CG 3.46Å; R9-D36 IonicContact NH1-OD1 3.74Å; R9-E37 IonicContact CZ-OE1 2.81Å; R9-E37 IonicContact NE-OE1 2.7Å; R9-E37 PolarHBondContact NE-OE1 3.23Å; R9-E37 IonicContact NH2-OE1 2.71Å; R9-E37 PolarHBondContact NH2-OE1 2.69Å; R9-E37 IonicContact NH2-OE2 3.14Å; R9-H38 PolarHBondContact NH2-NE2 3.48Å
10P91.4Very high83Confident7 Ų744.5 Ų44.55%0.04525%0.252CS..  trans-65.9146.1172.128.1-33.6000112N92 V94 L432 A436P10-N92 WeakPolarHBondContact CA-O 3.28Å; P10-V94 HydrophobicContact CB-CB 4.47Å; P10-V94 HydrophobicContact CB-CG1 3.5Å; P10-V94 VanDerWaalsContact CB-CG1 3.5Å; P10-V94 HydrophobicContact CB-CG2 4.1Å; P10-L432 VanDerWaalsContact CG-C 3.46Å; P10-L432 HydrophobicContact CG-CB 3.72Å; P10-L432 WeakPolarHBondContact CG-O 3.25Å; P10-A436 HydrophobicContact CB-CB 4.2Å; P10-A436 HydrophobicContact CG-CB 4.15Å; P10-A436 WeakPolarHBondContact O-CB 3.47Å
11Y92.6Very high82.4Confident0 Ų047.7 Ų47.70%027%0.268CS..EExtended strand (participates in β ladder)trans-144.6159.3178.866.3-86000112.9V6 V13 I32 G33 P89 N92 L93 V94V6-Y11 HydrophobicContact CB-CD1 3.73Å; V6-Y11 HydrophobicContact CB-CE1 4.21Å; V6-Y11 HydrophobicContact CB-CG 4.3Å; V6-Y11 HydrophobicContact CG1-CD1 4.07Å; V6-Y11 HydrophobicContact CG1-CG 4.14Å; V6-Y11 HydrophobicContact CG2-CD1 4.36Å; V6-Y11 HydrophobicContact CG2-CE1 4.43Å; Y11-V13 HydrophobicContact CD2-CG2 4.05Å; Y11-V13 HydrophobicContact CE2-CG2 3.92Å; Y11-I32 HydrophobicContact CD2-CD1 3.63Å; Y11-I32 HydrophobicContact CD2-CG1 3.8Å; Y11-I32 HydrophobicContact CE2-CD1 4.06Å; Y11-I32 HydrophobicContact CG-CD1 4.11Å; Y11-I32 HydrophobicContact CG-CG1 4.37Å; Y11-G33 WeakPolarHBondContact CA-O 3.45Å; Y11-G33 WeakPolarHBondContact CB-O 3.01Å; Y11-P89 HydrophobicContact CE1-CG 4.36Å; Y11-P89 VanDerWaalsContact CE1-O 3.29Å; Y11-P89 WeakPolarHBondContact CE1-O 3.47Å; Y11-P89 PolarHBondContact OH-O 3.36Å; Y11-N92 HydrophobicContact CD1-CB 3.99Å; Y11-N92 HydrophobicContact CE1-CB 3.78Å; Y11-N92 PolarHBondContact N-O 2.99Å; Y11-L93 HydrophobicContact CD2-CD1 3.83Å; Y11-L93 HydrophobicContact CE2-CB 4.14Å; Y11-L93 HydrophobicContact CE2-CD1 3.52Å; Y11-L93 HydrophobicContact CE2-CG 4.43Å; Y11-L93 WeakPolarHBondContact O-CA 3.33Å; Y11-V94 WeakPolarHBondContact O-CG2 3.42Å; Y11-V94 PolarHBondContact O-N 3.36Å
12S94.3Very high82Confident1 Ų141.9 Ų41.91%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-114.3149.9176.9-62.70000111.1G33 A95 A436S12-G33 PolarHBondContact N-O 2.75Å; S12-G33 PolarHBondContact O-N 3.31Å; S12-A95 CarbonylContact C-O 3.58Å; S12-A95 VanDerWaalsContact CA-O 3.29Å; S12-A95 WeakPolarHBondContact CA-O 3.48Å; S12-A436 WeakPolarHBondContact CB-O 3.43Å; S12-A436 PolarHBondContact OG-O 3.5Å
13V94.1Very high81.2Confident1 Ų145 Ų451%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-121.8139.4177.9169.20000111Y11 L30 L31 L83 L93 A95 F96 Y97Y11-V13 HydrophobicContact CD2-CG2 4.05Å; Y11-V13 HydrophobicContact CE2-CG2 3.92Å; V13-L30 HydrophobicContact CG1-CD1 3.5Å; V13-L30 VanDerWaalsContact CG1-CD1 3.5Å; V13-L31 WeakPolarHBondContact CA-O 3.42Å; V13-L83 HydrophobicContact CG2-CD2 4.12Å; V13-L93 HydrophobicContact CB-CD1 3.86Å; V13-L93 HydrophobicContact CG2-CD1 3.46Å; V13-L93 VanDerWaalsContact CG2-CD1 3.46Å; V13-A95 PolarHBondContact N-O 2.87Å; V13-F96 HydrophobicContact CB-CD2 4.15Å; V13-F96 HydrophobicContact CG1-CD2 3.93Å; V13-F96 HydrophobicContact CG1-CE2 4.1Å; V13-F96 WeakPolarHBondContact O-CA 3.38Å; V13-Y97 PolarHBondContact O-N 2.83Å
14Y93.7Very high80.5Confident4 Ų444.9 Ų44.92%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-122.8130.8179.2-45.5-120.3000108.9Y16 L30 L31 V44 Y97 P438 V446Y14-Y16 HydrophobicContact CD1-CE2 4.11Å; Y14-Y16 HydrophobicContact CG-CE2 4.31Å; Y14-L30 WeakPolarHBondContact O-CA 3.35Å; Y14-L31 HydrophobicContact CD2-CB 4.15Å; Y14-L31 HydrophobicContact CG-CB 4.44Å; Y14-L31 PolarHBondContact N-O 2.93Å; Y14-L31 PolarHBondContact O-N 3.24Å; Y14-V44 HydrophobicContact CE2-CG1 4.33Å; Y14-V44 HydrophobicContact CE2-CG2 4.48Å; Y14-Y97 CarbonylContact C-O 3.08Å; Y14-Y97 WeakPolarHBondContact CA-O 3.45Å; Y14-Y97 HydrophobicContact CD1-CD1 4.4Å; Y14-P438 HydrophobicContact CE1-CB 3.73Å; Y14-P438 HydrophobicContact CE1-CG 3.88Å; Y14-P438 WeakPolarHBondContact OH-CA 3.32Å; Y14-P438 WeakPolarHBondContact OH-CB 3.27Å; Y14-V446 HydrophobicContact CD1-CG1 3.94Å; Y14-V446 HydrophobicContact CD1-CG2 4.39Å; Y14-V446 HydrophobicContact CE1-CG1 3.86Å; Y14-V446 HydrophobicContact CE1-CG2 4Å; Y14-V446 HydrophobicContact CG-CG1 4.45Å
15L92.3Very high80.4Confident0 Ų050.4 Ų50.40%030%0.302CS..EExtended strand (participates in β ladder)trans-119.597.4174.4178.863.7000109.9V17 L30 L50 M52 L79 F96 Y97 S98 S99 F109L15-V17 HydrophobicContact CD2-CG2 4.27Å; L15-V17 HydrophobicContact CG-CG2 3.99Å; L15-V17 PolarHBondContact O-N 2.84Å; L15-L30 HydrophobicContact CB-CD1 4.47Å; L15-L30 HydrophobicContact CD1-CD1 4.34Å; L15-L50 HydrophobicContact CD1-CD1 4.23Å; L15-M52 HydrophobicContact CD1-SD 3.97Å; L15-M52 HydrophobicContact CD2-CE 4.18Å; L15-M52 HydrophobicContact CD2-SD 4Å; L15-M52 HydrophobicContact CG-SD 4.44Å; L15-L79 HydrophobicContact CD2-CD1 4.35Å; L15-L79 HydrophobicContact CD2-CD2 4.16Å; L15-F96 HydrophobicContact CB-CE2 4.13Å; L15-F96 HydrophobicContact CB-CZ 4.16Å; L15-F96 HydrophobicContact CD2-CZ 4.37Å; L15-Y97 PolarHBondContact N-O 3.39Å; L15-S98 VanDerWaalsContact O-CA 3.24Å; L15-S98 WeakPolarHBondContact O-CA 3.26Å; L15-S98 PolarHBondContact O-OG 3.03Å; L15-S99 PolarHBondContact O-N 2.95Å; L15-F109 HydrophobicContact CD2-CD2 4.03Å; L15-F109 HydrophobicContact CD2-CE2 3.56Å; L15-F109 HydrophobicContact CD2-CZ 3.89Å
16Y90.1Very high80.4Confident2 Ų250 Ų501%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-86.9107.3173.8-69.9-84.1000109.2Y14 V19 S28 V29 L31 Y97 S99 L441 Q443 V446 F447Y14-Y16 HydrophobicContact CD1-CE2 4.11Å; Y14-Y16 HydrophobicContact CG-CE2 4.31Å; Y16-V19 WeakPolarHBondContact O-CG2 3.41Å; Y16-S28 CarbonylContact O-C 3.58Å; Y16-S28 VanDerWaalsContact O-CA 3.31Å; Y16-S28 WeakPolarHBondContact O-CA 3.35Å; Y16-V29 PolarHBondContact N-O 3.42Å; Y16-V29 PolarHBondContact O-N 2.76Å; Y16-L31 HydrophobicContact CD2-CD1 4.11Å; Y16-L31 HydrophobicContact CE2-CD1 4.04Å; Y16-Y97 HydrophobicContact CD1-CE1 4.35Å; Y16-Y97 HydrophobicContact CE1-CD1 4.43Å; Y16-Y97 AromaticContact CE1-CE1 3.69Å; Y16-Y97 HydrophobicContact CE1-CE1 3.69Å; Y16-Y97 AromaticContact CZ-CE1 3.86Å; Y16-S99 WeakPolarHBondContact CA-OG 3.33Å; Y16-L441 PolarHBondContact OH-O 3.07Å; Y16-Q443 HydrophobicContact CD1-CB 3.97Å; Y16-Q443 HydrophobicContact CD1-CG 3.82Å; Y16-Q443 HydrophobicContact CE1-CB 3.71Å; Y16-Q443 HydrophobicContact CE1-CG 4Å; Y16-Q443 HydrophobicContact CG-CG 4.37Å; Y16-V446 HydrophobicContact CE2-CB 4.34Å; Y16-V446 HydrophobicContact CE2-CG1 4.07Å; Y16-V446 WeakPolarHBondContact OH-CG2 3.46Å; Y16-F447 HydrophobicContact CD1-CE2 4.49Å; Y16-F447 AromaticContact CD2-CE2 3.65Å; Y16-F447 HydrophobicContact CD2-CE2 3.65Å; Y16-F447 HydrophobicContact CD2-CZ 4.46Å; Y16-F447 HydrophobicContact CE2-CE2 4.13Å; Y16-F447 AromaticContact CG-CE2 3.86Å; Y16-F447 HydrophobicContact CG-CE2 3.86Å
17V85.6Confident80.5Confident18 Ų1850.2 Ų50.211%0.10930%0.302CS..EExtended strand (participates in β ladder)trans-86143-177.5177.10000110.3L15 T54 S99 A100L15-V17 HydrophobicContact CD2-CG2 4.27Å; L15-V17 HydrophobicContact CG-CG2 3.99Å; L15-V17 PolarHBondContact O-N 2.84Å; V17-T54 VanDerWaalsContact CG1-OG1 3.27Å; V17-T54 WeakPolarHBondContact CG1-OG1 3.45Å; V17-S99 PolarHBondContact N-OG 2.99Å; V17-A100 HydrophobicContact CG2-CB 4.1Å
18G78.1Confident80.9Confident33 Ų3346.6 Ų46.634%0.3428%0.28SS..EExtended strand (participates in β ladder)trans72.126172.900000115.3E20 D55G18-E20 PolarHBondContact O-N 3.24Å; G18-D55 VanDerWaalsContact CA-OD1 3.26Å; G18-D55 WeakPolarHBondContact CA-OD1 3.45Å; G18-D55 PolarHBondContact N-OD1 3.4Å
19V83Confident81.4Confident15 Ų1540.4 Ų40.49%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-70.2120.9-178.9-177.70000109.9Y16 L21 S26 A27 V29 F447Y16-V19 WeakPolarHBondContact O-CG2 3.41Å; V19-L21 PolarHBondContact O-N 2.72Å; V19-S26 CarbonylContact O-C 3.53Å; V19-S26 VanDerWaalsContact O-CA 3.27Å; V19-S26 WeakPolarHBondContact O-CA 3.4Å; V19-A27 WeakPolarHBondContact CB-O 3.43Å; V19-A27 PolarHBondContact N-O 2.82Å; V19-A27 PolarHBondContact O-N 3.06Å; V19-V29 HydrophobicContact CB-CG2 3.9Å; V19-V29 HydrophobicContact CG1-CG2 4.26Å; V19-V29 HydrophobicContact CG2-CB 4.25Å; V19-V29 HydrophobicContact CG2-CG2 3.86Å; V19-F447 HydrophobicContact CG1-CE1 4.46Å; V19-F447 HydrophobicContact CG1-CZ 4.39Å; V19-F447 HydrophobicContact CG2-CZ 4.27Å
20E78.1Confident81.8Confident171 Ų17138.9 Ų38.980%0.79924%0.242SC*.EExtended strand (participates in β ladder)trans-63.6126.3175.7-65.1-169.9172.700111.6G18G18-E20 PolarHBondContact O-N 3.24Å
21L70.8Confident81.8Confident112 Ų11238.6 Ų38.659%0.58624%0.24SC*.EExtended strand (participates in β ladder)trans-103.45.9175-57.3-175.5000112.4V19 R25 A27V19-L21 PolarHBondContact O-N 2.72Å; L21-R25 PolarHBondContact N-O 3.11Å; L21-A27 HydrophobicContact CD1-CB 3.74Å; L21-A27 HydrophobicContact CG-CB 4.37Å
22G56.8Low81.8Confident41 Ų4138.6 Ų38.642%0.42324%0.24SC..EExtended strand (participates in β ladder)trans87.1172.1-173.100000113.7G24 R25G22-G24 PolarHBondContact O-N 2.75Å; G22-G24 VanDerWaalsContact O-N 3.11Å; G22-R25 PolarHBondContact O-N 3.27Å
23A56Low81.7Confident104 Ų10438.7 Ų38.786%0.8624%0.241SC*.THydrogen-bonded Turntrans50.234.7179.500000115R25A23-R25 VanDerWaalsContact C-N 3.31Å; A23-R25 PolarHBondContact O-N 3.03Å
24G60.4Low81.6Confident77 Ų7739.1 Ų39.179%0.79424%0.242SC*.THydrogen-bonded Turntrans7218.1179.700000115G22G22-G24 PolarHBondContact O-N 2.75Å; G22-G24 VanDerWaalsContact O-N 3.11Å
25R68.8Low81.3Confident191 Ų19139.5 Ų39.572%0.72124%0.244SC*.EExtended strand (participates in β ladder)trans-109.7132.9177.8-59.8-178-177-175.5-0.4111.1L21 G22 A23L21-R25 PolarHBondContact N-O 3.11Å; G22-R25 PolarHBondContact O-N 3.27Å; A23-R25 VanDerWaalsContact C-N 3.31Å; A23-R25 PolarHBondContact O-N 3.03Å
26S77.8Confident80.9Confident27 Ų2740.7 Ų40.719%0.18925%0.25CS..EExtended strand (participates in β ladder)trans-115156168.145.30000110.8V19 Q51 D55V19-S26 CarbonylContact O-C 3.53Å; V19-S26 VanDerWaalsContact O-CA 3.27Å; V19-S26 WeakPolarHBondContact O-CA 3.4Å; S26-Q51 PolarHBondContact O-NE2 2.86Å; S26-D55 PolarHBondContact OG-O 2.76Å
27A83.6Confident80.3Confident3 Ų341.7 Ų41.73%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-152.6157.3172.300000111.5V19 L21 T49 D55V19-A27 WeakPolarHBondContact CB-O 3.43Å; V19-A27 PolarHBondContact N-O 2.82Å; V19-A27 PolarHBondContact O-N 3.06Å; L21-A27 HydrophobicContact CD1-CB 3.74Å; L21-A27 HydrophobicContact CG-CB 4.37Å; A27-T49 HydrophobicContact CB-CG2 3.59Å; A27-D55 WeakPolarHBondContact CA-OD1 3.42Å
28S88.3Confident79.8Confident0 Ų048 Ų480%028%0.283CS..EExtended strand (participates in β ladder)trans-87.4121.8177.8-65.70000111.3Y16 T49 L50 M52 D55Y16-S28 CarbonylContact O-C 3.58Å; Y16-S28 VanDerWaalsContact O-CA 3.31Å; Y16-S28 WeakPolarHBondContact O-CA 3.35Å; S28-T49 CarbonylContact O-C 3.59Å; S28-T49 WeakPolarHBondContact O-CA 3.46Å; S28-L50 PolarHBondContact N-O 3.08Å; S28-L50 PolarHBondContact O-N 3.17Å; S28-M52 WeakPolarHBondContact CB-SD 3.43Å; S28-M52 PolarHBondContact OG-SD 2.73Å; S28-D55 WeakPolarHBondContact CB-OD2 3.47Å; S28-D55 PolarHBondContact N-OD1 2.79Å; S28-D55 PolarHBondContact N-OD2 2.97Å; S28-D55 VanDerWaalsContact OG-CG 3.24Å; S28-D55 PolarHBondContact OG-OD1 2.91Å; S28-D55 VanDerWaalsContact OG-OD1 3.04Å; S28-D55 PolarHBondContact OG-OD2 2.83Å
29V89.7Confident79.5Confident9 Ų949 Ų496%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-101.6119.3-174-179.80000110.5Y16 V19 L31 L46 F447Y16-V29 PolarHBondContact N-O 3.42Å; Y16-V29 PolarHBondContact O-N 2.76Å; V19-V29 HydrophobicContact CB-CG2 3.9Å; V19-V29 HydrophobicContact CG1-CG2 4.26Å; V19-V29 HydrophobicContact CG2-CB 4.25Å; V19-V29 HydrophobicContact CG2-CG2 3.86Å; V29-L31 HydrophobicContact CG1-CD2 3.63Å; V29-L31 HydrophobicContact CG1-CG 4.18Å; V29-L46 HydrophobicContact CG1-CD1 3.65Å; V29-F447 HydrophobicContact CB-CZ 3.99Å; V29-F447 HydrophobicContact CG1-CE1 4.18Å; V29-F447 HydrophobicContact CG1-CZ 3.78Å; V29-F447 HydrophobicContact CG2-CZ 4.25Å
30L91.8Very high79.2Confident0 Ų050.1 Ų50.10%029%0.293CS..EExtended strand (participates in β ladder)trans-100.1113.6-180-174.465.5000110.2V13 Y14 L15 L47 H48 L79 A82 L83V13-L30 HydrophobicContact CG1-CD1 3.5Å; V13-L30 VanDerWaalsContact CG1-CD1 3.5Å; Y14-L30 WeakPolarHBondContact O-CA 3.35Å; L15-L30 HydrophobicContact CB-CD1 4.47Å; L15-L30 HydrophobicContact CD1-CD1 4.34Å; L30-L47 HydrophobicContact CD2-CD2 4Å; L30-L47 HydrophobicContact CG-CB 4.49Å; L30-L47 HydrophobicContact CG-CD2 4.3Å; L30-L47 WeakPolarHBondContact O-CB 3.34Å; L30-L47 PolarHBondContact O-N 2.6Å; L30-H48 HydrophobicContact CB-CB 4.21Å; L30-H48 WeakPolarHBondContact CB-O 3.32Å; L30-H48 HydrophobicContact CD2-CB 4.12Å; L30-H48 PolarHBondContact N-O 2.98Å; L30-H48 PolarHBondContact O-N 3.14Å; L30-H48 VanDerWaalsContact O-N 3.12Å; L30-L79 HydrophobicContact CD1-CD1 3.51Å; L30-L79 HydrophobicContact CD2-CD1 4.23Å; L30-A82 HydrophobicContact CD2-CB 4.18Å; L30-L83 HydrophobicContact CD2-CD2 4.29Å
31L93Very high79.3Confident2 Ų249.7 Ų49.71%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-110.9149.7178.1-47.7178.8000111.1V13 Y14 Y16 V29 V44 K45 L46 V446 F447 V450V13-L31 WeakPolarHBondContact CA-O 3.42Å; Y14-L31 HydrophobicContact CD2-CB 4.15Å; Y14-L31 HydrophobicContact CG-CB 4.44Å; Y14-L31 PolarHBondContact N-O 2.93Å; Y14-L31 PolarHBondContact O-N 3.24Å; Y16-L31 HydrophobicContact CD2-CD1 4.11Å; Y16-L31 HydrophobicContact CE2-CD1 4.04Å; V29-L31 HydrophobicContact CG1-CD2 3.63Å; V29-L31 HydrophobicContact CG1-CG 4.18Å; L31-V44 HydrophobicContact CB-CG1 4.03Å; L31-V44 HydrophobicContact CD1-CG1 4.12Å; L31-K45 CarbonylContact C-O 3.59Å; L31-K45 VanDerWaalsContact CA-O 3.28Å; L31-K45 WeakPolarHBondContact CA-O 3.4Å; L31-L46 HydrophobicContact CD2-CB 4.18Å; L31-L46 HydrophobicContact CD2-CD1 3.85Å; L31-V446 HydrophobicContact CD1-CG1 3.68Å; L31-F447 HydrophobicContact CD1-CD2 4.27Å; L31-F447 HydrophobicContact CD1-CE2 4.09Å; L31-V450 HydrophobicContact CD1-CG2 4.24Å; L31-V450 HydrophobicContact CD2-CG2 4.3Å
32I92.3Very high80Confident0 Ų046.3 Ų46.30%027%0.27CS..EExtended strand (participates in β ladder)trans-116.9135.1171.1-170.6170.9000109.7I2 V6 Y11 V44 K45 L47 L88I2-I32 HydrophobicContact CD1-CG2 4.35Å; I2-I32 HydrophobicContact CG2-CD1 4.08Å; I2-I32 HydrophobicContact CG2-CG2 4.17Å; V6-I32 HydrophobicContact CG1-CD1 4.16Å; Y11-I32 HydrophobicContact CD2-CD1 3.63Å; Y11-I32 HydrophobicContact CD2-CG1 3.8Å; Y11-I32 HydrophobicContact CE2-CD1 4.06Å; Y11-I32 HydrophobicContact CG-CD1 4.11Å; Y11-I32 HydrophobicContact CG-CG1 4.37Å; I32-V44 CarbonylContact O-C 3.6Å; I32-V44 WeakPolarHBondContact O-CA 3.43Å; I32-K45 HydrophobicContact CG2-CB 4.19Å; I32-K45 PolarHBondContact N-O 3.45Å; I32-K45 PolarHBondContact O-N 2.76Å; I32-L47 HydrophobicContact CB-CB 4.46Å; I32-L47 HydrophobicContact CG2-CB 4.23Å; I32-L88 HydrophobicContact CD1-CD1 4.05Å
33G91.9Very high81.4Confident2 Ų245.1 Ų45.12%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-125.5141.7176.800000112.3Y11 S12 V43Y11-G33 WeakPolarHBondContact CA-O 3.45Å; Y11-G33 WeakPolarHBondContact CB-O 3.01Å; S12-G33 PolarHBondContact N-O 2.75Å; S12-G33 PolarHBondContact O-N 3.31Å; G33-V43 CarbonylContact C-O 3.59Å; G33-V43 WeakPolarHBondContact CA-O 3.45Å
34Y90.8Very high83.1Confident10 Ų1040.3 Ų40.34%0.03921%0.214CC..EExtended strand (participates in β ladder)trans-154.9163.9179.358-98.6000110.6V5 V6 D36 V43 K45V5-Y34 HydrophobicContact CB-CE2 4.43Å; V5-Y34 HydrophobicContact CG1-CD2 3.76Å; V5-Y34 HydrophobicContact CG1-CE2 3.47Å; V5-Y34 VanDerWaalsContact CG1-CE2 3.47Å; V5-Y34 HydrophobicContact CG1-CG 4.42Å; V6-Y34 HydrophobicContact CG1-CD1 4.08Å; V6-Y34 HydrophobicContact CG1-CG 4.43Å; Y34-D36 HydrophobicContact CE2-CB 4.23Å; Y34-V43 HydrophobicContact CD2-CB 4.39Å; Y34-V43 HydrophobicContact CE2-CB 4.04Å; Y34-V43 HydrophobicContact CE2-CG1 4.29Å; Y34-V43 HydrophobicContact CE2-CG2 4.49Å; Y34-V43 PolarHBondContact N-O 2.99Å; Y34-V43 PolarHBondContact O-N 2.81Å; Y34-K45 HydrophobicContact CE1-CD 4.37Å; Y34-K45 WeakPolarHBondContact OH-CE 3.47Å; Y34-K45 PolarHBondContact OH-NZ 2.88Å
35F88.9Confident84.4Confident12 Ų1237.6 Ų37.65%0.05318%0.181CC..EExtended strand (participates in β ladder)trans-88.4129.9168.4-169.2-100.4000110.3W414 L418 L435F35-W414 HydrophobicContact CE1-CB 4.32Å; F35-W414 HydrophobicContact CZ-CB 3.86Å; F35-W414 HydrophobicContact CZ-CG 4.22Å; F35-L418 HydrophobicContact CD1-CD1 4.18Å; F35-L418 HydrophobicContact CE1-CD1 3.77Å; F35-L435 HydrophobicContact CB-CB 3.79Å; F35-L435 HydrophobicContact CD1-CB 4.34Å; F35-L435 HydrophobicContact CD1-CD1 4.13Å; F35-L435 HydrophobicContact CD2-CB 3.82Å; F35-L435 HydrophobicContact CD2-CD1 4.43Å; F35-L435 HydrophobicContact CD2-CD2 4.13Å; F35-L435 HydrophobicContact CD2-CG 4.36Å; F35-L435 HydrophobicContact CE1-CD1 4.12Å; F35-L435 HydrophobicContact CE2-CB 4.5Å; F35-L435 HydrophobicContact CE2-CD1 4.42Å; F35-L435 HydrophobicContact CE2-CD2 4.03Å; F35-L435 HydrophobicContact CG-CB 3.72Å; F35-L435 HydrophobicContact CG-CD1 4.29Å; F35-L435 HydrophobicContact CG-CG 4.46Å; F35-L435 HydrophobicContact CZ-CD1 4.26Å
36D83.7Confident85.3Confident26 Ų2632.8 Ų32.814%0.13917%0.169CC..EExtended strand (participates in β ladder)trans-97.7110.4171.4176.536.3000110.6R9 Y34 H38 S39 C40 R41 V43R9-D36 IonicContact NH1-OD1 3.74Å; Y34-D36 HydrophobicContact CE2-CB 4.23Å; D36-H38 PolarHBondContact O-N 2.83Å; D36-H38 IonicContact OD1-CD2 3.73Å; D36-H38 PolarHBondContact OD1-CD2 3.12Å; D36-H38 IonicContact OD1-CG 2.72Å; D36-H38 PolarHBondContact OD1-N 2.87Å; D36-H38 VanDerWaalsContact OD1-N 3.1Å; D36-S39 VanDerWaalsContact OD2-CB 3.23Å; D36-S39 WeakPolarHBondContact OD2-CB 3.32Å; D36-S39 PolarHBondContact OD2-N 3.49Å; D36-S39 PolarHBondContact OD2-OG 3.15Å; D36-C40 WeakPolarHBondContact O-CA 3.09Å; D36-C40 PolarHBondContact O-N 3.02Å; D36-R41 PolarHBondContact N-O 2.98Å; D36-R41 PolarHBondContact O-N 3.08Å; D36-V43 HydrophobicContact CB-CG2 4Å
37E76.2Confident85.7Confident23 Ų2332.1 Ų32.111%0.10716%0.163CC..THydrogen-bonded Turntrans-58.2-28.2174-67.2172.1-116.900112.7R9 V415 L418 L432R9-E37 IonicContact CZ-OE1 2.81Å; R9-E37 IonicContact NE-OE1 2.7Å; R9-E37 PolarHBondContact NE-OE1 3.23Å; R9-E37 IonicContact NH2-OE1 2.71Å; R9-E37 PolarHBondContact NH2-OE1 2.69Å; R9-E37 IonicContact NH2-OE2 3.14Å; E37-V415 VanDerWaalsContact O-CG1 3.29Å; E37-V415 WeakPolarHBondContact O-CG1 3.33Å; E37-V415 WeakPolarHBondContact O-CG2 3.02Å; E37-L418 HydrophobicContact CG-CD1 4.18Å; E37-L432 HydrophobicContact CG-CD2 4.1Å
38H76.3Confident85.8Confident150 Ų15034.3 Ų34.369%0.69417%0.173SC*.THydrogen-bonded Turntrans-80.1-40-175.2-57.7-70.9000112.7R9 D36R9-H38 PolarHBondContact NH2-NE2 3.48Å; D36-H38 PolarHBondContact O-N 2.83Å; D36-H38 IonicContact OD1-CD2 3.73Å; D36-H38 PolarHBondContact OD1-CD2 3.12Å; D36-H38 IonicContact OD1-CG 2.72Å; D36-H38 PolarHBondContact OD1-N 2.87Å; D36-H38 VanDerWaalsContact OD1-N 3.1Å
39S72.3Confident85.6Confident53 Ų5337.4 Ų37.437%0.37119%0.192SC..THydrogen-bonded Turntrans-96.21.4176.864.30000114.6D36 R41D36-S39 VanDerWaalsContact OD2-CB 3.23Å; D36-S39 WeakPolarHBondContact OD2-CB 3.32Å; D36-S39 PolarHBondContact OD2-N 3.49Å; D36-S39 PolarHBondContact OD2-OG 3.15Å; S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 WeakPolarHBondContact O-CD 3.3Å; S39-R41 VanDerWaalsContact O-CG 3.28Å; S39-R41 WeakPolarHBondContact O-CG 3.41Å; S39-R41 PolarHBondContact O-N 3.14Å
40C76.1Confident85.3Confident40 Ų4037.7 Ų37.727%0.2719%0.193SC..THydrogen-bonded Turntrans60.131.3179.9-163.90000114D36 S413 V415D36-C40 WeakPolarHBondContact O-CA 3.09Å; D36-C40 PolarHBondContact O-N 3.02Å; C40-S413 PolarHBondContact SG-OG 2.95Å; C40-S413 VanDerWaalsContact SG-OG 3.34Å; C40-V415 HydrophobicContact CB-CG2 3.51Å
41R80.3Confident84.7Confident161 Ų16144 Ų4461%0.60822%0.222SC*.EExtended strand (participates in β ladder)trans-134.6145.4-165.4-76.1165.9-171.2-151.9-1.9113.7D36 S39 V43D36-R41 PolarHBondContact N-O 2.98Å; D36-R41 PolarHBondContact O-N 3.08Å; S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 WeakPolarHBondContact O-CD 3.3Å; S39-R41 VanDerWaalsContact O-CG 3.28Å; S39-R41 WeakPolarHBondContact O-CG 3.41Å; S39-R41 PolarHBondContact O-N 3.14Å; R41-V43 PolarHBondContact O-N 2.97Å
42S84.9Confident84.1Confident41 Ų4144.1 Ų44.129%0.28722%0.223SC..EExtended strand (participates in β ladder)trans-71.1112.7162.9170.10000109.1K449S42-K449 PolarHBondContact OG-NZ 2.85Å
43V86.6Confident83Confident17 Ų1746.4 Ų46.410%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-107.9135.7-176.9177.70000109.4G33 Y34 D36 R41 K45G33-V43 CarbonylContact C-O 3.59Å; G33-V43 WeakPolarHBondContact CA-O 3.45Å; Y34-V43 HydrophobicContact CD2-CB 4.39Å; Y34-V43 HydrophobicContact CE2-CB 4.04Å; Y34-V43 HydrophobicContact CE2-CG1 4.29Å; Y34-V43 HydrophobicContact CE2-CG2 4.49Å; Y34-V43 PolarHBondContact N-O 2.99Å; Y34-V43 PolarHBondContact O-N 2.81Å; D36-V43 HydrophobicContact CB-CG2 4Å; R41-V43 PolarHBondContact O-N 2.97Å; V43-K45 HydrophobicContact CG1-CD 4.39Å; V43-K45 HydrophobicContact CG1-CG 4.04Å
44V90.6Very high81.6Confident3 Ų349 Ų492%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-126135.4171.9-1750000109.1Y14 L31 I32 V446 K449 V450Y14-V44 HydrophobicContact CE2-CG1 4.33Å; Y14-V44 HydrophobicContact CE2-CG2 4.48Å; L31-V44 HydrophobicContact CB-CG1 4.03Å; L31-V44 HydrophobicContact CD1-CG1 4.12Å; I32-V44 CarbonylContact O-C 3.6Å; I32-V44 WeakPolarHBondContact O-CA 3.43Å; V44-V446 HydrophobicContact CG1-CG1 3.96Å; V44-K449 HydrophobicContact CB-CB 4.18Å; V44-K449 HydrophobicContact CG2-CB 4.3Å; V44-K449 HydrophobicContact CG2-CD 3.96Å; V44-V450 HydrophobicContact CB-CG2 4.29Å; V44-V450 HydrophobicContact CG1-CG2 3.9Å
45K87.9Confident79.9Confident20 Ų2049 Ų499%0.08726%0.255CS..EExtended strand (participates in β ladder)trans-133.3148.3-177.9-62.7-176.7-178.2-173.80111.2I2 L31 I32 Y34 V43 L47 Y453I2-K45 HydrophobicContact CD1-CB 4.18Å; I2-K45 HydrophobicContact CD1-CD 3.83Å; I2-K45 HydrophobicContact CG1-CD 3.91Å; L31-K45 CarbonylContact C-O 3.59Å; L31-K45 VanDerWaalsContact CA-O 3.28Å; L31-K45 WeakPolarHBondContact CA-O 3.4Å; I32-K45 HydrophobicContact CG2-CB 4.19Å; I32-K45 PolarHBondContact N-O 3.45Å; I32-K45 PolarHBondContact O-N 2.76Å; Y34-K45 HydrophobicContact CE1-CD 4.37Å; Y34-K45 WeakPolarHBondContact OH-CE 3.47Å; Y34-K45 PolarHBondContact OH-NZ 2.88Å; V43-K45 HydrophobicContact CG1-CD 4.39Å; V43-K45 HydrophobicContact CG1-CG 4.04Å; K45-L47 PolarHBondContact O-N 3.48Å; K45-Y453 HydrophobicContact CD-CD1 4.48Å; K45-Y453 HydrophobicContact CD-CE1 3.97Å; K45-Y453 WeakPolarHBondContact CE-OH 3.31Å; K45-Y453 HydrophobicContact CG-CD1 4.19Å; K45-Y453 HydrophobicContact CG-CE1 4.18Å; K45-Y453 PolarHBondContact NZ-OH 3.26Å
46L87.9Confident78.4Confident90 Ų9052.6 Ų52.647%0.47128%0.282SS..EExtended strand (participates in β ladder)trans-65.3127.6164.1179.862.5000109.3V29 L31 H48V29-L46 HydrophobicContact CG1-CD1 3.65Å; L31-L46 HydrophobicContact CD2-CB 4.18Å; L31-L46 HydrophobicContact CD2-CD1 3.85Å; L46-H48 WeakPolarHBondContact CD1-O 3.23Å
47L86.4Confident76.4Confident12 Ų1255.7 Ų55.76%0.06331%0.311CS..EExtended strand (participates in β ladder)trans-103.2-50.5174.4-177.866.8000110.6L30 I32 K45 L83 Y86 L88L30-L47 HydrophobicContact CD2-CD2 4Å; L30-L47 HydrophobicContact CG-CB 4.49Å; L30-L47 HydrophobicContact CG-CD2 4.3Å; L30-L47 WeakPolarHBondContact O-CB 3.34Å; L30-L47 PolarHBondContact O-N 2.6Å; I32-L47 HydrophobicContact CB-CB 4.46Å; I32-L47 HydrophobicContact CG2-CB 4.23Å; K45-L47 PolarHBondContact O-N 3.48Å; L47-L83 HydrophobicContact CD2-CD2 3.75Å; L47-Y86 HydrophobicContact CD1-CD1 4.06Å; L47-Y86 HydrophobicContact CD1-CD2 3.78Å; L47-Y86 HydrophobicContact CD1-CE1 4.46Å; L47-Y86 HydrophobicContact CD1-CE2 4.24Å; L47-Y86 HydrophobicContact CD1-CG 3.7Å; L47-Y86 HydrophobicContact CD2-CD2 4.39Å; L47-Y86 HydrophobicContact CG-CD2 3.88Å; L47-Y86 HydrophobicContact CG-CE2 4.17Å; L47-Y86 HydrophobicContact CG-CG 4.32Å; L47-Y86 WeakPolarHBondContact O-CE2 3.5Å; L47-Y86 VanDerWaalsContact O-CZ 3.29Å; L47-Y86 PolarHBondContact O-OH 2.89Å; L47-Y86 VanDerWaalsContact O-OH 3.13Å; L47-L88 HydrophobicContact CD1-CD1 4.28Å; L47-L88 HydrophobicContact CD2-CD1 3.65Å
48H84.8Confident74.8Confident50 Ų5059.7 Ų59.723%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-153.2166.8179.6-145.456.7000112.6L30 L46 Y86L30-H48 HydrophobicContact CB-CB 4.21Å; L30-H48 WeakPolarHBondContact CB-O 3.32Å; L30-H48 HydrophobicContact CD2-CB 4.12Å; L30-H48 PolarHBondContact N-O 2.98Å; L30-H48 PolarHBondContact O-N 3.14Å; L30-H48 VanDerWaalsContact O-N 3.12Å; L46-H48 WeakPolarHBondContact CD1-O 3.23Å; H48-Y86 HydrophobicContact CB-CE2 4.04Å; H48-Y86 AromaticContact CG-CE2 3.92Å; H48-Y86 AromaticContact ND1-CE2 3.48Å; H48-Y86 WeakPolarHBondContact ND1-CE2 3.33Å; H48-Y86 AromaticContact ND1-CZ 3.63Å; H48-Y86 PolarHBondContact ND1-OH 2.95Å
49T85.4Confident73.2Confident65 Ų6558.8 Ų58.840%0.39934%0.341SS..EExtended strand (participates in β ladder)trans-120125.4163.7-53.50000107.5A27 S28A27-T49 HydrophobicContact CB-CG2 3.59Å; S28-T49 CarbonylContact O-C 3.59Å; S28-T49 WeakPolarHBondContact O-CA 3.46Å
50L83.2Confident71.7Confident15 Ų1566.5 Ų66.58%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-102.9145.7178.4-67.7169.1000109.3L15 S28 M52 A82L15-L50 HydrophobicContact CD1-CD1 4.23Å; S28-L50 PolarHBondContact N-O 3.08Å; S28-L50 PolarHBondContact O-N 3.17Å; L50-M52 HydrophobicContact CB-CG 3.77Å; L50-M52 HydrophobicContact CB-SD 4.21Å; L50-M52 HydrophobicContact CD1-SD 4.07Å; L50-A82 HydrophobicContact CD2-CB 4.08Å
51Q79.8Confident69.9Low131 Ų13170.8 Ų70.861%0.61238%0.378SS*.  trans-99.9101.5162.8-164.875.355.600106.8S26 D55S26-Q51 PolarHBondContact O-NE2 2.86Å; Q51-D55 VanDerWaalsContact NE2-CB 3.26Å
52M79.9Confident68.3Low6 Ų669.4 Ų69.43%0.0339%0.389CS..  trans-98.3161.5-178.5-57.5-172.272.700109.9L15 S28 L50 T54 D55 D75 F109L15-M52 HydrophobicContact CD1-SD 3.97Å; L15-M52 HydrophobicContact CD2-CE 4.18Å; L15-M52 HydrophobicContact CD2-SD 4Å; L15-M52 HydrophobicContact CG-SD 4.44Å; S28-M52 WeakPolarHBondContact CB-SD 3.43Å; S28-M52 PolarHBondContact OG-SD 2.73Å; L50-M52 HydrophobicContact CB-CG 3.77Å; L50-M52 HydrophobicContact CB-SD 4.21Å; L50-M52 HydrophobicContact CD1-SD 4.07Å; M52-T54 PolarHBondContact O-N 3.09Å; M52-T54 VanDerWaalsContact O-N 3.1Å; M52-D55 PolarHBondContact N-OD2 3.36Å; M52-D55 WeakPolarHBondContact O-CB 3.01Å; M52-D55 PolarHBondContact O-N 2.92Å; M52-D75 WeakPolarHBondContact CA-OD1 3.33Å; M52-D75 HydrophobicContact CE-CB 3.53Å; M52-D75 WeakPolarHBondContact CE-O 3.28Å; M52-F109 HydrophobicContact CE-CE1 3.83Å; M52-F109 HydrophobicContact CE-CZ 3.52Å
53S68.4Low66.2Low48 Ų4873.8 Ų73.834%0.33640%0.403SS..G310 helixtrans-54.3-34.1-178.968.20000113.3D55 S56 V71 D75S53-D55 VanDerWaalsContact C-N 3.3Å; S53-D55 PolarHBondContact O-N 3.41Å; S53-S56 PolarHBondContact O-OG 3.38Å; S53-V71 WeakPolarHBondContact OG-CG1 3.45Å; S53-D75 WeakPolarHBondContact CB-OD2 3.42Å; S53-D75 PolarHBondContact N-OD1 3.35Å; S53-D75 PolarHBondContact N-OD2 3.28Å; S53-D75 PolarHBondContact OG-OD2 3.14Å
54T63.3Low64.3Low57 Ų5778.7 Ų78.735%0.3543%0.429SS..G310 helixtrans-78-6.9-178.140.50000114.2V17 M52 S56 L105V17-T54 VanDerWaalsContact CG1-OG1 3.27Å; V17-T54 WeakPolarHBondContact CG1-OG1 3.45Å; M52-T54 PolarHBondContact O-N 3.09Å; M52-T54 VanDerWaalsContact O-N 3.1Å; T54-S56 PolarHBondContact O-N 2.96Å; T54-L105 HydrophobicContact CG2-CD2 4.15Å
55D56Low62.5Low8 Ų884.3 Ų84.34%0.04346%0.464CS..G310 helixtrans-86.719.3174.2-62.3-50.6000112.6G18 S26 A27 S28 Q51 M52 S53G18-D55 VanDerWaalsContact CA-OD1 3.26Å; G18-D55 WeakPolarHBondContact CA-OD1 3.45Å; G18-D55 PolarHBondContact N-OD1 3.4Å; S26-D55 PolarHBondContact OG-O 2.76Å; A27-D55 WeakPolarHBondContact CA-OD1 3.42Å; S28-D55 WeakPolarHBondContact CB-OD2 3.47Å; S28-D55 PolarHBondContact N-OD1 2.79Å; S28-D55 PolarHBondContact N-OD2 2.97Å; S28-D55 VanDerWaalsContact OG-CG 3.24Å; S28-D55 PolarHBondContact OG-OD1 2.91Å; S28-D55 VanDerWaalsContact OG-OD1 3.04Å; S28-D55 PolarHBondContact OG-OD2 2.83Å; Q51-D55 VanDerWaalsContact NE2-CB 3.26Å; M52-D55 PolarHBondContact N-OD2 3.36Å; M52-D55 WeakPolarHBondContact O-CB 3.01Å; M52-D55 PolarHBondContact O-N 2.92Å; S53-D55 VanDerWaalsContact C-N 3.3Å; S53-D55 PolarHBondContact O-N 3.41Å
56S55.5Low60.8Low88 Ų8889.2 Ų89.262%0.61549%0.491SS*.SBendtrans-108.6133.6-179.762.60000112.4S53 T54 D58S53-S56 PolarHBondContact O-OG 3.38Å; T54-S56 PolarHBondContact O-N 2.96Å; S56-D58 PolarHBondContact O-N 3.14Å; S56-D58 VanDerWaalsContact O-N 3.14Å
57A43.6Very low59.3Low92 Ų9288.7 Ų88.776%0.7649%0.491SS*.SBendtrans-88.934.8-159.700000116.2
58D40.8Very low58Low107 Ų10792.7 Ų92.757%0.57252%0.516SS*.  trans-119.3102.3172.1-172.3-6.7000111.9S56 R60S56-D58 PolarHBondContact O-N 3.14Å; S56-D58 VanDerWaalsContact O-N 3.14Å; D58-R60 PolarHBondContact O-N 2.82Å; D58-R60 VanDerWaalsContact O-N 3.15Å; D58-R60 WeakPolarHBondContact OD1-CB 3.44Å; D58-R60 PolarHBondContact OD1-N 3.05Å
59P44.5Very low56.8Low131 Ų13192.5 Ų92.585%0.85152%0.523SS*.  trans-725.8177.8-19.733.7000116.1
60R39.8Very low55.8Low214 Ų21496.4 Ų96.481%0.80854%0.537SS*.  trans-121.235.7-160.4-63.3-170.7173.2-172.80.1117.8D58D58-R60 PolarHBondContact O-N 2.82Å; D58-R60 VanDerWaalsContact O-N 3.15Å; D58-R60 WeakPolarHBondContact OD1-CB 3.44Å; D58-R60 PolarHBondContact OD1-N 3.05Å
61Q37.8Very low55.1Low131 Ų13198.3 Ų98.361%0.61255%0.548SS*.  trans-136.8110.9158.5-69.9-165.838.800114.2K63Q61-K63 VanDerWaalsContact OE1-CE 3.26Å
62P47.5Very low54.7Low131 Ų13192.5 Ų92.585%0.85152%0.523SS*.  trans-85.3118.8157.732.6-28000109.7
63K41.5Very low54.5Low133 Ų13395.8 Ų95.858%0.57854%0.541SS*.  trans-139.6122.2170.3-77179.2173.91600110.1Q61Q61-K63 VanDerWaalsContact OE1-CE 3.26Å
64D46.1Very low55.1Low120 Ų12096.8 Ų96.864%0.64255%0.547SS*.  trans44.6123.4167.8-55-47.1000118.9D66 V67 V68D64-D66 PolarHBondContact O-N 2.99Å; D64-D66 VanDerWaalsContact O-N 3.11Å; D64-V67 HydrophobicContact CB-CG2 4Å; D64-V67 WeakPolarHBondContact O-CB 3.48Å; D64-V67 PolarHBondContact O-N 3.27Å; D64-V68 PolarHBondContact O-N 3.02Å
65T52.5Low56Low122 Ų12294.3 Ų94.375%0.74853%0.532SS*.Hα-helixtrans-53.1-35.6178.5-13.50000113.1V68 A69T65-V68 PolarHBondContact O-N 3.24Å; T65-A69 PolarHBondContact O-N 3.36Å
66D52Low57.3Low123 Ų12394 Ų9466%0.65853%0.53SS*.Hα-helixtrans-72.2-32.9-179.6-60.5-31.7000112.3D64 A69 H70D64-D66 PolarHBondContact O-N 2.99Å; D64-D66 VanDerWaalsContact O-N 3.11Å; D66-A69 PolarHBondContact O-N 3.39Å; D66-H70 PolarHBondContact O-CD2 3.06Å; D66-H70 PolarHBondContact O-N 3.22Å
67V56.9Low58.6Low78 Ų7896.3 Ų96.347%0.47353%0.526SS..Hα-helixtrans-67.2-44.4174.7177.70000109.6D64 A69 H70 V71D64-V67 HydrophobicContact CB-CG2 4Å; D64-V67 WeakPolarHBondContact O-CB 3.48Å; D64-V67 PolarHBondContact O-N 3.27Å; V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 3Å; V67-H70 PolarHBondContact O-N 3.19Å; V67-V71 HydrophobicContact CG1-CG2 4.31Å; V67-V71 WeakPolarHBondContact O-CB 3.33Å; V67-V71 VanDerWaalsContact O-CG2 3.27Å; V67-V71 WeakPolarHBondContact O-CG2 3.4Å; V67-V71 PolarHBondContact O-N 2.9Å
68V59.1Low60.6Low96 Ų9694.6 Ų94.658%0.58250%0.504SS*.Hα-helixtrans-59.4-40.4174.7-178.50000111.3D64 T65 A72D64-V68 PolarHBondContact O-N 3.02Å; T65-V68 PolarHBondContact O-N 3.24Å; V68-A72 VanDerWaalsContact O-CB 3.27Å; V68-A72 WeakPolarHBondContact O-CB 3.14Å; V68-A72 PolarHBondContact O-N 2.78Å
69A59.9Low62.8Low47 Ų4789.5 Ų89.539%0.38848%0.476SS..Hα-helixtrans-67.6-41.117700000113.1T65 D66 V67 N73T65-A69 PolarHBondContact O-N 3.36Å; D66-A69 PolarHBondContact O-N 3.39Å; V67-A69 VanDerWaalsContact C-N 3.29Å; V67-A69 PolarHBondContact O-N 3Å; A69-N73 PolarHBondContact O-N 3.22Å; A69-N73 VanDerWaalsContact O-N 3.15Å; A69-N73 PolarHBondContact O-ND2 3.21Å
70H63.4Low64.7Low147 Ų14783.5 Ų83.568%0.68144%0.437SS*.Hα-helixtrans-65.5-44174.9-90.1-74.3000112.3D66 V67 N73 S74D66-H70 PolarHBondContact O-CD2 3.06Å; D66-H70 PolarHBondContact O-N 3.22Å; V67-H70 PolarHBondContact O-N 3.19Å; H70-N73 PolarHBondContact O-N 3.35Å; H70-S74 PolarHBondContact O-N 3.16Å; H70-S74 VanDerWaalsContact O-N 3.09Å
71V68.2Low66.9Low54 Ų5476.7 Ų76.733%0.32742%0.415SS..Hα-helixtrans-61.8-45.9176.9169.70000111S53 V67 N73 S74 D75S53-V71 WeakPolarHBondContact OG-CG1 3.45Å; V67-V71 HydrophobicContact CG1-CG2 4.31Å; V67-V71 WeakPolarHBondContact O-CB 3.33Å; V67-V71 VanDerWaalsContact O-CG2 3.27Å; V67-V71 WeakPolarHBondContact O-CG2 3.4Å; V67-V71 PolarHBondContact O-N 2.9Å; V71-N73 VanDerWaalsContact C-N 3.3Å; V71-N73 PolarHBondContact O-N 3.21Å; V71-S74 WeakPolarHBondContact O-CB 3.5Å; V71-S74 PolarHBondContact O-N 2.94Å; V71-S74 VanDerWaalsContact O-N 3.11Å; V71-D75 PolarHBondContact O-N 3.38Å
72A71.6Confident69.2Low9 Ų970.8 Ų70.87%0.07439%0.388CS..Hα-helixtrans-60.8-35.8177.200000113.4V68 A76 L105 V108V68-A72 VanDerWaalsContact O-CB 3.27Å; V68-A72 WeakPolarHBondContact O-CB 3.14Å; V68-A72 PolarHBondContact O-N 2.78Å; A72-A76 VanDerWaalsContact O-CB 3.24Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.47Å; A72-L105 HydrophobicContact CB-CD1 3.57Å; A72-V108 HydrophobicContact CB-CG2 4.23Å
73N77.5Confident71Confident76 Ų7664.5 Ų64.541%0.40635%0.347SS..Hα-helixtrans-71.1-33.7174.9-81.4-69000113A69 H70 V71 W77 Q112A69-N73 PolarHBondContact O-N 3.22Å; A69-N73 VanDerWaalsContact O-N 3.15Å; A69-N73 PolarHBondContact O-ND2 3.21Å; H70-N73 PolarHBondContact O-N 3.35Å; V71-N73 VanDerWaalsContact C-N 3.3Å; V71-N73 PolarHBondContact O-N 3.21Å; N73-W77 WeakPolarHBondContact O-CB 3.41Å; N73-W77 PolarHBondContact O-N 3.07Å; N73-Q112 PolarHBondContact OD1-NE2 2.87Å
74S79.3Confident73Confident68 Ų6863 Ų6348%0.47634%0.338SS..Hα-helixtrans-67.5-47.7173.9-169.80000111.7H70 V71 A76 W77 L78H70-S74 PolarHBondContact O-N 3.16Å; H70-S74 VanDerWaalsContact O-N 3.09Å; V71-S74 WeakPolarHBondContact O-CB 3.5Å; V71-S74 PolarHBondContact O-N 2.94Å; V71-S74 VanDerWaalsContact O-N 3.11Å; S74-A76 VanDerWaalsContact C-N 3.29Å; S74-A76 PolarHBondContact O-N 2.92Å; S74-W77 PolarHBondContact O-N 2.82Å; S74-L78 WeakPolarHBondContact O-CG 3.22Å; S74-L78 PolarHBondContact O-N 2.84Å
75D83.5Confident74.8Confident6 Ų664.3 Ų64.33%0.03234%0.338CS..Hα-helixtrans-60.2-38.2175-89.6-3.1000111.8M52 S53 V71 L78 L79 L105 F109M52-D75 WeakPolarHBondContact CA-OD1 3.33Å; M52-D75 HydrophobicContact CE-CB 3.53Å; M52-D75 WeakPolarHBondContact CE-O 3.28Å; S53-D75 WeakPolarHBondContact CB-OD2 3.42Å; S53-D75 PolarHBondContact N-OD1 3.35Å; S53-D75 PolarHBondContact N-OD2 3.28Å; S53-D75 PolarHBondContact OG-OD2 3.14Å; V71-D75 PolarHBondContact O-N 3.38Å; D75-L78 PolarHBondContact O-N 3.44Å; D75-L79 PolarHBondContact O-N 3.42Å; D75-L105 HydrophobicContact CB-CD1 4.31Å; D75-F109 HydrophobicContact CB-CE1 4.28Å
76A82.6Confident76.2Confident0 Ų062.2 Ų62.20%032%0.317CS..Hα-helixtrans-69.9-38.617500000112.7A72 S74 L78 L79 V80 V108 F109 Q112A72-A76 VanDerWaalsContact O-CB 3.24Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.47Å; S74-A76 VanDerWaalsContact C-N 3.29Å; S74-A76 PolarHBondContact O-N 2.92Å; A76-L78 VanDerWaalsContact C-N 3.34Å; A76-L78 PolarHBondContact O-N 3.19Å; A76-L79 WeakPolarHBondContact O-CB 3.44Å; A76-L79 PolarHBondContact O-N 3.47Å; A76-V80 WeakPolarHBondContact O-CG2 3.33Å; A76-V80 PolarHBondContact O-N 3.48Å; A76-V108 HydrophobicContact CB-CG1 3.7Å; A76-F109 HydrophobicContact CB-CD1 3.63Å; A76-F109 HydrophobicContact CB-CE1 4.02Å; A76-Q112 VanDerWaalsContact CB-CD 3.47Å; A76-Q112 HydrophobicContact CB-CG 4.35Å
77W83.3Confident77.6Confident138 Ų13863.7 Ų63.752%0.52332%0.32SS..Hα-helixtrans-62.2-41.4173.5-178.691.7000111.4N73 S74 L79 V80 E81N73-W77 WeakPolarHBondContact O-CB 3.41Å; N73-W77 PolarHBondContact O-N 3.07Å; S74-W77 PolarHBondContact O-N 2.82Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 3.08Å; W77-V80 PolarHBondContact O-N 3.23Å; W77-E81 HydrophobicContact CD2-CB 4.43Å; W77-E81 HydrophobicContact CE3-CB 4.4Å; W77-E81 HydrophobicContact CH2-CB 4.28Å; W77-E81 HydrophobicContact CH2-CG 3.92Å; W77-E81 HydrophobicContact CZ2-CB 4.3Å; W77-E81 HydrophobicContact CZ2-CG 4.03Å; W77-E81 HydrophobicContact CZ3-CB 4.34Å; W77-E81 HydrophobicContact CZ3-CG 4.37Å; W77-E81 VanDerWaalsContact O-CB 3.25Å; W77-E81 WeakPolarHBondContact O-CB 3.33Å; W77-E81 PolarHBondContact O-N 3.36Å
78L84.7Confident78.9Confident56 Ų5660.5 Ų60.529%0.29330%0.3SS..Hα-helixtrans-59.8-40.9174.5-73.7170.9000112.6S74 D75 A76 A82S74-L78 WeakPolarHBondContact O-CG 3.22Å; S74-L78 PolarHBondContact O-N 2.84Å; D75-L78 PolarHBondContact O-N 3.44Å; A76-L78 VanDerWaalsContact C-N 3.34Å; A76-L78 PolarHBondContact O-N 3.19Å; L78-A82 VanDerWaalsContact O-CB 3.3Å; L78-A82 WeakPolarHBondContact O-CB 3.42Å; L78-A82 PolarHBondContact O-N 3.41Å
79L87.8Confident80.2Confident0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-62.2-50.1174.4172.564.1000111.8L15 L30 D75 A76 W77 A82 L83 F96 F109 L113L15-L79 HydrophobicContact CD2-CD1 4.35Å; L15-L79 HydrophobicContact CD2-CD2 4.16Å; L30-L79 HydrophobicContact CD1-CD1 3.51Å; L30-L79 HydrophobicContact CD2-CD1 4.23Å; D75-L79 PolarHBondContact O-N 3.42Å; A76-L79 WeakPolarHBondContact O-CB 3.44Å; A76-L79 PolarHBondContact O-N 3.47Å; W77-L79 VanDerWaalsContact C-N 3.34Å; W77-L79 PolarHBondContact O-N 3.08Å; L79-A82 PolarHBondContact O-N 3.32Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 2.87Å; L79-F96 HydrophobicContact CD2-CE2 3.83Å; L79-F96 HydrophobicContact CD2-CZ 3.72Å; L79-F109 HydrophobicContact CD2-CB 3.99Å; L79-F109 HydrophobicContact CD2-CD1 3.95Å; L79-F109 HydrophobicContact CD2-CG 3.92Å; L79-L113 HydrophobicContact CD2-CD1 4.2Å
80V84.7Confident81.4Confident4 Ų456.3 Ų56.32%0.02427%0.269CS..Hα-helixtrans-66-41.4-178.9176.60000111.1A76 W77 L83 R84 Q112 L113 F116A76-V80 WeakPolarHBondContact O-CG2 3.33Å; A76-V80 PolarHBondContact O-N 3.48Å; W77-V80 PolarHBondContact O-N 3.23Å; V80-L83 PolarHBondContact O-N 3.22Å; V80-R84 WeakPolarHBondContact O-CG 3.41Å; V80-R84 PolarHBondContact O-N 3.09Å; V80-Q112 HydrophobicContact CG2-CB 4.15Å; V80-L113 HydrophobicContact CG2-CD2 4.11Å; V80-F116 HydrophobicContact CG1-CE2 3.94Å; V80-F116 HydrophobicContact CG1-CZ 4.43Å
81E84.9Confident82.4Confident72 Ų7253.4 Ų53.434%0.33627%0.265SS..Hα-helixtrans-68.8-35.2179.4-16958.7-158.500112.1W77 L83 R84 K85W77-E81 HydrophobicContact CD2-CB 4.43Å; W77-E81 HydrophobicContact CE3-CB 4.4Å; W77-E81 HydrophobicContact CH2-CB 4.28Å; W77-E81 HydrophobicContact CH2-CG 3.92Å; W77-E81 HydrophobicContact CZ2-CB 4.3Å; W77-E81 HydrophobicContact CZ2-CG 4.03Å; W77-E81 HydrophobicContact CZ3-CB 4.34Å; W77-E81 HydrophobicContact CZ3-CG 4.37Å; W77-E81 VanDerWaalsContact O-CB 3.25Å; W77-E81 WeakPolarHBondContact O-CB 3.33Å; W77-E81 PolarHBondContact O-N 3.36Å; E81-L83 PolarHBondContact O-N 2.88Å; E81-R84 PolarHBondContact O-N 2.86Å; E81-R84 IonicContact OE2-CZ 2.8Å; E81-R84 IonicContact OE2-NH1 3.99Å; E81-R84 PolarHBondContact OE2-NH1 3.46Å; E81-K85 VanDerWaalsContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CB 3.29Å; E81-K85 PolarHBondContact O-N 3.31Å
82A85.9Confident83.4Confident6 Ų651.5 Ų51.55%0.0525%0.254CS..Hα-helixtrans-60.5-4417000000111.7L30 L50 L78 L79 R84 K85 Y86L30-A82 HydrophobicContact CD2-CB 4.18Å; L50-A82 HydrophobicContact CD2-CB 4.08Å; L78-A82 VanDerWaalsContact O-CB 3.3Å; L78-A82 WeakPolarHBondContact O-CB 3.42Å; L78-A82 PolarHBondContact O-N 3.41Å; L79-A82 PolarHBondContact O-N 3.32Å; A82-R84 PolarHBondContact O-N 3.47Å; A82-K85 PolarHBondContact O-N 2.7Å; A82-Y86 VanDerWaalsContact O-CD2 3.26Å; A82-Y86 WeakPolarHBondContact O-CD2 3.31Å; A82-Y86 PolarHBondContact O-N 2.96Å
83L86Confident84.3Confident0 Ų051.2 Ų51.20%025%0.251CS..Hα-helixtrans-64.7-38.6176.8-64.2169.8000112.3V13 L30 L47 L79 V80 E81 Y86 L88 L90 L113V13-L83 HydrophobicContact CG2-CD2 4.12Å; L30-L83 HydrophobicContact CD2-CD2 4.29Å; L47-L83 HydrophobicContact CD2-CD2 3.75Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 2.87Å; V80-L83 PolarHBondContact O-N 3.22Å; E81-L83 PolarHBondContact O-N 2.88Å; L83-Y86 PolarHBondContact O-N 3.01Å; L83-L88 HydrophobicContact CD2-CD1 3.92Å; L83-L88 PolarHBondContact O-N 2.87Å; L83-L90 HydrophobicContact CB-CD2 3.9Å; L83-L90 HydrophobicContact CD1-CD2 4.1Å; L83-L113 HydrophobicContact CD1-CD2 3.66Å
84R83.3Confident84.9Confident102 Ų10248.5 Ų48.539%0.38524%0.237SC..Hα-helixtrans-64.7-40.3173.3-69.8-172.8-164120.42.8113V80 E81 A82 Y86 E87V80-R84 WeakPolarHBondContact O-CG 3.41Å; V80-R84 PolarHBondContact O-N 3.09Å; E81-R84 PolarHBondContact O-N 2.86Å; E81-R84 IonicContact OE2-CZ 2.8Å; E81-R84 IonicContact OE2-NH1 3.99Å; E81-R84 PolarHBondContact OE2-NH1 3.46Å; A82-R84 PolarHBondContact O-N 3.47Å; R84-Y86 PolarHBondContact O-N 3.5Å; R84-E87 WeakPolarHBondContact O-CA 3.23Å; R84-E87 PolarHBondContact O-N 3.33Å
85K84.4Confident85.5Confident146 Ų14645.3 Ų45.364%0.63522%0.215SC*.Hα-helixtrans-63.4-22.2179.8-179.2178176.1-177.90113.3E81 A82E81-K85 VanDerWaalsContact O-CB 3.29Å; E81-K85 WeakPolarHBondContact O-CB 3.29Å; E81-K85 PolarHBondContact O-N 3.31Å; A82-K85 PolarHBondContact O-N 2.7Å
86Y81.8Confident86Confident79 Ų7945.1 Ų45.131%0.3121%0.213SC..THydrogen-bonded Turntrans-97.117.1170.1-71.3-74.9000113.1L47 H48 A82 L83 R84 L88L47-Y86 HydrophobicContact CD1-CD1 4.06Å; L47-Y86 HydrophobicContact CD1-CD2 3.78Å; L47-Y86 HydrophobicContact CD1-CE1 4.46Å; L47-Y86 HydrophobicContact CD1-CE2 4.24Å; L47-Y86 HydrophobicContact CD1-CG 3.7Å; L47-Y86 HydrophobicContact CD2-CD2 4.39Å; L47-Y86 HydrophobicContact CG-CD2 3.88Å; L47-Y86 HydrophobicContact CG-CE2 4.17Å; L47-Y86 HydrophobicContact CG-CG 4.32Å; L47-Y86 WeakPolarHBondContact O-CE2 3.5Å; L47-Y86 VanDerWaalsContact O-CZ 3.29Å; L47-Y86 PolarHBondContact O-OH 2.89Å; L47-Y86 VanDerWaalsContact O-OH 3.13Å; H48-Y86 HydrophobicContact CB-CE2 4.04Å; H48-Y86 AromaticContact CG-CE2 3.92Å; H48-Y86 AromaticContact ND1-CE2 3.48Å; H48-Y86 WeakPolarHBondContact ND1-CE2 3.33Å; H48-Y86 AromaticContact ND1-CZ 3.63Å; H48-Y86 PolarHBondContact ND1-OH 2.95Å; A82-Y86 VanDerWaalsContact O-CD2 3.26Å; A82-Y86 WeakPolarHBondContact O-CD2 3.31Å; A82-Y86 PolarHBondContact O-N 2.96Å; L83-Y86 PolarHBondContact O-N 3.01Å; R84-Y86 PolarHBondContact O-N 3.5Å; Y86-L88 VanDerWaalsContact O-CD2 3.26Å; Y86-L88 WeakPolarHBondContact O-CD2 3.26Å; Y86-L88 WeakPolarHBondContact O-CG 3.35Å; Y86-L88 PolarHBondContact O-N 3.47Å
87E80.9Confident86.5Confident154 Ų15446.1 Ų46.172%0.7222%0.217SC*.THydrogen-bonded Turntrans46.830.8176.6-60.1177.7171.100114.4M3 R84M3-E87 HydrophobicContact CE-CB 4.37Å; M3-E87 HydrophobicContact SD-CB 3.83Å; R84-E87 WeakPolarHBondContact O-CA 3.23Å; R84-E87 PolarHBondContact O-N 3.33Å
88L84.3Confident86.7Confident11 Ų1139.7 Ų39.76%0.05819%0.193CC..  trans-75.1134.2-174-55.3178.7000110.6M3 V6 I32 L47 L83 Y86 L90M3-L88 HydrophobicContact CG-CD2 4.42Å; V6-L88 HydrophobicContact CG2-CD2 3.87Å; I32-L88 HydrophobicContact CD1-CD1 4.05Å; L47-L88 HydrophobicContact CD1-CD1 4.28Å; L47-L88 HydrophobicContact CD2-CD1 3.65Å; L83-L88 HydrophobicContact CD2-CD1 3.92Å; L83-L88 PolarHBondContact O-N 2.87Å; Y86-L88 VanDerWaalsContact O-CD2 3.26Å; Y86-L88 WeakPolarHBondContact O-CD2 3.26Å; Y86-L88 WeakPolarHBondContact O-CG 3.35Å; Y86-L88 PolarHBondContact O-N 3.47Å; L88-L90 PolarHBondContact O-N 3.37Å
89P85.8Confident86.8Confident33 Ų3338.8 Ų38.821%0.21419%0.192CC..  trans-69.999.9176.329.1-34.6000109.5V6 Y11 S91 N92V6-P89 WeakPolarHBondContact O-CG 3.3Å; Y11-P89 HydrophobicContact CE1-CG 4.36Å; Y11-P89 VanDerWaalsContact CE1-O 3.29Å; Y11-P89 WeakPolarHBondContact CE1-O 3.47Å; Y11-P89 PolarHBondContact OH-O 3.36Å; P89-S91 PolarHBondContact O-N 3Å; P89-S91 VanDerWaalsContact O-N 3.14Å; P89-N92 HydrophobicContact CG-CB 4.25Å; P89-N92 PolarHBondContact O-N 3.32Å
90L85.3Confident86.5Confident22 Ų2239.4 Ų39.412%0.11520%0.197CC..G310 helixtrans-61.8-22.2-179.3-62.7179000112.6L83 L88 N92 L93 F116L83-L90 HydrophobicContact CB-CD2 3.9Å; L83-L90 HydrophobicContact CD1-CD2 4.1Å; L88-L90 PolarHBondContact O-N 3.37Å; L90-N92 PolarHBondContact O-N 3.16Å; L90-L93 VanDerWaalsContact O-CB 3.28Å; L90-L93 WeakPolarHBondContact O-CB 3.31Å; L90-L93 PolarHBondContact O-N 3.09Å; L90-L93 VanDerWaalsContact O-N 3.15Å; L90-F116 HydrophobicContact CB-CB 3.59Å; L90-F116 HydrophobicContact CB-CG 4.27Å; L90-F116 HydrophobicContact CD1-CB 3.84Å; L90-F116 HydrophobicContact CD1-CD1 3.88Å; L90-F116 HydrophobicContact CD1-CD2 3.85Å; L90-F116 HydrophobicContact CD1-CE1 4.46Å; L90-F116 HydrophobicContact CD1-CE2 4.45Å; L90-F116 HydrophobicContact CD1-CG 3.56Å; L90-F116 HydrophobicContact CG-CB 4.36Å
91S84.4Confident85.5Confident85 Ų8544.2 Ų44.259%0.59423%0.228SC*.G310 helixtrans-65.7-16.717250.20000114.9P89P89-S91 PolarHBondContact O-N 3Å; P89-S91 VanDerWaalsContact O-N 3.14Å
92N88.8Confident84.6Confident15 Ų1546.9 Ų46.98%0.0824%0.241CC..G310 helixtrans-99.20.6173.5-73.9-14.6000112.9V6 T7 P10 Y11 P89 L90 V94 R429V6-N92 PolarHBondContact O-ND2 2.85Å; T7-N92 PolarHBondContact O-ND2 2.89Å; P10-N92 WeakPolarHBondContact CA-O 3.28Å; Y11-N92 HydrophobicContact CD1-CB 3.99Å; Y11-N92 HydrophobicContact CE1-CB 3.78Å; Y11-N92 PolarHBondContact N-O 2.99Å; P89-N92 HydrophobicContact CG-CB 4.25Å; P89-N92 PolarHBondContact O-N 3.32Å; L90-N92 PolarHBondContact O-N 3.16Å; N92-V94 PolarHBondContact O-N 3.28Å; N92-R429 PolarHBondContact OD1-NH2 3.11Å; N92-R429 VanDerWaalsContact OD1-NH2 3.16Å
93L91.1Very high83.7Confident2 Ų250.7 Ų50.71%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-71.6110.8174.2-177.772.3000109.6Y11 V13 L90 L113 S117 L120Y11-L93 HydrophobicContact CD2-CD1 3.83Å; Y11-L93 HydrophobicContact CE2-CB 4.14Å; Y11-L93 HydrophobicContact CE2-CD1 3.52Å; Y11-L93 HydrophobicContact CE2-CG 4.43Å; Y11-L93 WeakPolarHBondContact O-CA 3.33Å; V13-L93 HydrophobicContact CB-CD1 3.86Å; V13-L93 HydrophobicContact CG2-CD1 3.46Å; V13-L93 VanDerWaalsContact CG2-CD1 3.46Å; L90-L93 VanDerWaalsContact O-CB 3.28Å; L90-L93 WeakPolarHBondContact O-CB 3.31Å; L90-L93 PolarHBondContact O-N 3.09Å; L90-L93 VanDerWaalsContact O-N 3.15Å; L93-L113 HydrophobicContact CD2-CB 4.37Å; L93-L113 HydrophobicContact CD2-CD1 4.34Å; L93-L113 HydrophobicContact CD2-CD2 4.17Å; L93-S117 WeakPolarHBondContact O-CB 3.19Å; L93-S117 PolarHBondContact O-OG 2.82Å; L93-L120 HydrophobicContact CD2-CD1 3.73Å; L93-L120 HydrophobicContact CD2-CD2 4.16Å; L93-L120 HydrophobicContact CG-CD1 3.65Å
94V90.5Very high83Confident20 Ų2052.9 Ų52.912%0.12129%0.288CS..EExtended strand (participates in β ladder)trans-97.1-33.1-177.1-65.70000113.9P10 Y11 N92 L121 T433 A436P10-V94 HydrophobicContact CB-CB 4.47Å; P10-V94 HydrophobicContact CB-CG1 3.5Å; P10-V94 VanDerWaalsContact CB-CG1 3.5Å; P10-V94 HydrophobicContact CB-CG2 4.1Å; Y11-V94 WeakPolarHBondContact O-CG2 3.42Å; Y11-V94 PolarHBondContact O-N 3.36Å; N92-V94 PolarHBondContact O-N 3.28Å; V94-L121 WeakPolarHBondContact O-CB 3.42Å; V94-L121 WeakPolarHBondContact O-CG 3.49Å; V94-L121 PolarHBondContact O-N 3.3Å; V94-T433 HydrophobicContact CB-CG2 4.27Å; V94-T433 HydrophobicContact CG1-CG2 4.01Å; V94-A436 HydrophobicContact CG2-CB 4.18Å
95A92.4Very high82.7Confident1 Ų148.7 Ų48.71%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-141.5149.8177.400000113.2S12 V13 L121 L123 L437S12-A95 CarbonylContact C-O 3.58Å; S12-A95 VanDerWaalsContact CA-O 3.29Å; S12-A95 WeakPolarHBondContact CA-O 3.48Å; V13-A95 PolarHBondContact N-O 2.87Å; A95-L121 CarbonylContact C-O 3.22Å; A95-L121 WeakPolarHBondContact CA-O 3.46Å; A95-L121 HydrophobicContact CB-CB 3.91Å; A95-L123 HydrophobicContact CB-CD1 3.84Å; A95-L123 HydrophobicContact CB-CG 4.36Å; A95-L437 HydrophobicContact CB-CD2 4.25Å
96F92.7Very high82.5Confident1 Ų142.2 Ų42.20%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-132.5134.5175.4176-105.2000110.8V13 L15 L79 F109 V110 L113 L120 L121 L123V13-F96 HydrophobicContact CB-CD2 4.15Å; V13-F96 HydrophobicContact CG1-CD2 3.93Å; V13-F96 HydrophobicContact CG1-CE2 4.1Å; V13-F96 WeakPolarHBondContact O-CA 3.38Å; L15-F96 HydrophobicContact CB-CE2 4.13Å; L15-F96 HydrophobicContact CB-CZ 4.16Å; L15-F96 HydrophobicContact CD2-CZ 4.37Å; L79-F96 HydrophobicContact CD2-CE2 3.83Å; L79-F96 HydrophobicContact CD2-CZ 3.72Å; F96-F109 HydrophobicContact CE1-CB 3.6Å; F96-F109 HydrophobicContact CE1-CD2 4.11Å; F96-F109 HydrophobicContact CE1-CG 4.29Å; F96-F109 HydrophobicContact CZ-CB 3.85Å; F96-F109 AromaticContact CZ-CD2 3.98Å; F96-F109 HydrophobicContact CZ-CD2 3.98Å; F96-F109 HydrophobicContact CZ-CG 4.21Å; F96-V110 HydrophobicContact CD1-CG2 3.89Å; F96-V110 HydrophobicContact CE1-CG2 4.37Å; F96-L113 HydrophobicContact CB-CD1 4.17Å; F96-L113 HydrophobicContact CD1-CD1 4.01Å; F96-L113 HydrophobicContact CD2-CD1 3.57Å; F96-L113 HydrophobicContact CE1-CD1 4.3Å; F96-L113 HydrophobicContact CE2-CD1 3.89Å; F96-L113 HydrophobicContact CG-CD1 3.63Å; F96-L113 HydrophobicContact CZ-CD1 4.24Å; F96-L120 HydrophobicContact CB-CD1 4.02Å; F96-L120 HydrophobicContact CB-CD2 4.03Å; F96-L120 HydrophobicContact CB-CG 4.26Å; F96-L121 PolarHBondContact N-O 2.66Å; F96-L123 PolarHBondContact O-N 3.36Å
97Y92.9Very high82.5Confident21 Ų2146.9 Ų46.98%0.08226%0.263CS..EExtended strand (participates in β ladder)trans-125.9142.2172.2173.6-107.4000110.6V13 Y14 L15 Y16 L123 P127 L441V13-Y97 PolarHBondContact O-N 2.83Å; Y14-Y97 CarbonylContact C-O 3.08Å; Y14-Y97 WeakPolarHBondContact CA-O 3.45Å; Y14-Y97 HydrophobicContact CD1-CD1 4.4Å; L15-Y97 PolarHBondContact N-O 3.39Å; Y16-Y97 HydrophobicContact CD1-CE1 4.35Å; Y16-Y97 HydrophobicContact CE1-CD1 4.43Å; Y16-Y97 AromaticContact CE1-CE1 3.69Å; Y16-Y97 HydrophobicContact CE1-CE1 3.69Å; Y16-Y97 AromaticContact CZ-CE1 3.86Å; Y97-L123 HydrophobicContact CD2-CB 4.45Å; Y97-P127 HydrophobicContact CE2-CG 3.83Å; Y97-L441 HydrophobicContact CD1-CD2 4.35Å; Y97-L441 HydrophobicContact CD2-CB 4.39Å; Y97-L441 HydrophobicContact CD2-CD1 3.91Å; Y97-L441 HydrophobicContact CD2-CD2 3.98Å; Y97-L441 HydrophobicContact CD2-CG 4.31Å; Y97-L441 HydrophobicContact CE1-CB 4.45Å; Y97-L441 HydrophobicContact CE2-CB 4.26Å; Y97-L441 HydrophobicContact CE2-CD1 4.13Å; Y97-L441 HydrophobicContact CG-CD2 3.82Å
98S89.4Confident82.7Confident3 Ų341.1 Ų41.12%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-137.3139.8168.1-177.10000111L15 A100 C124L15-S98 VanDerWaalsContact O-CA 3.24Å; L15-S98 WeakPolarHBondContact O-CA 3.26Å; L15-S98 PolarHBondContact O-OG 3.03Å; S98-A100 VanDerWaalsContact C-N 3.29Å; S98-A100 PolarHBondContact OG-N 3.14Å; S98-C124 PolarHBondContact N-SG 2.9Å
99S86.7Confident82.9Confident38 Ų3840.7 Ų40.727%0.26624%0.236SC..  trans-88.713.1173.575.80000113.6L15 Y16 V17L15-S99 PolarHBondContact O-N 2.95Å; Y16-S99 WeakPolarHBondContact CA-OG 3.33Å; V17-S99 PolarHBondContact N-OG 2.99Å
100A80.3Confident83Confident12 Ų1239.8 Ų39.810%0.09923%0.23CC..  trans-57.5126.5-179.300000111.5V17 S98 Q102 L105 F109V17-A100 HydrophobicContact CG2-CB 4.1Å; S98-A100 VanDerWaalsContact C-N 3.29Å; S98-A100 PolarHBondContact OG-N 3.14Å; A100-Q102 PolarHBondContact O-N 3.21Å; A100-L105 HydrophobicContact CB-CD2 4.07Å; A100-L105 HydrophobicContact CB-CG 4.4Å; A100-F109 HydrophobicContact CB-CE2 4.36Å
101P63.2Low83.1Confident105 Ų10542.4 Ų42.468%0.68225%0.25SS*.SBendtrans-72.2-11.2-173.128.6-36.1000114
102Q67.6Low83.2Confident128 Ų12840.6 Ų40.660%0.59823%0.232SC*.  trans-104.4111.1179-69.6-65.1-12.100110.4A100 G104 L105A100-Q102 PolarHBondContact O-N 3.21Å; Q102-G104 PolarHBondContact O-N 3.26Å; Q102-G104 VanDerWaalsContact O-N 3.08Å; Q102-L105 HydrophobicContact CB-CB 4.38Å; Q102-L105 WeakPolarHBondContact O-CB 3.37Å; Q102-L105 PolarHBondContact O-N 2.85Å
103P66.6Low83.2Confident86 Ų8640 Ų4056%0.55823%0.229SC*.Hα-helixtrans-58.3-26.6-177.1-27.435.5000114.6R107P103-R107 WeakPolarHBondContact O-CG 3.25Å; P103-R107 PolarHBondContact O-N 3.04Å
104G71.1Confident83Confident47 Ų4743.3 Ų43.349%0.48525%0.245SC..Hα-helixtrans-63.2-40.5174.400000113.1Q102 R107 V108Q102-G104 PolarHBondContact O-N 3.26Å; Q102-G104 VanDerWaalsContact O-N 3.08Å; G104-R107 WeakPolarHBondContact O-CB 3.45Å; G104-R107 PolarHBondContact O-N 3.23Å; G104-V108 PolarHBondContact O-N 2.91Å
105L75.7Confident82.8Confident14 Ų1446.1 Ų46.17%0.07327%0.269CS..Hα-helixtrans-65.9-47.1-179.2-178.158.1000111T54 A72 D75 A100 Q102 R107 V108 F109T54-L105 HydrophobicContact CG2-CD2 4.15Å; A72-L105 HydrophobicContact CB-CD1 3.57Å; D75-L105 HydrophobicContact CB-CD1 4.31Å; A100-L105 HydrophobicContact CB-CD2 4.07Å; A100-L105 HydrophobicContact CB-CG 4.4Å; Q102-L105 HydrophobicContact CB-CB 4.38Å; Q102-L105 WeakPolarHBondContact O-CB 3.37Å; Q102-L105 PolarHBondContact O-N 2.85Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 2.74Å; L105-V108 PolarHBondContact O-N 2.92Å; L105-F109 HydrophobicContact CD1-CE1 3.7Å; L105-F109 HydrophobicContact CD1-CE2 4.29Å; L105-F109 HydrophobicContact CD1-CZ 3.55Å; L105-F109 HydrophobicContact CD2-CE2 4.29Å; L105-F109 HydrophobicContact CD2-CZ 3.93Å; L105-F109 HydrophobicContact CG-CE1 4.09Å; L105-F109 HydrophobicContact CG-CE2 3.74Å; L105-F109 HydrophobicContact CG-CZ 3.45Å; L105-F109 VanDerWaalsContact CG-CZ 3.45Å; L105-F109 PolarHBondContact O-N 2.81Å; L105-F109 VanDerWaalsContact O-N 3.1Å
106S81.1Confident82.5Confident10 Ų1050.3 Ų50.37%0.0729%0.288CS..Hα-helixtrans-58.9-34.2174.4-64.90000113.3V110S106-V110 WeakPolarHBondContact O-CB 3.28Å; S106-V110 VanDerWaalsContact O-CG2 3.25Å; S106-V110 WeakPolarHBondContact O-CG2 3.37Å; S106-V110 PolarHBondContact O-N 2.69Å
107R82.8Confident82.1Confident177 Ų17750.9 Ų50.967%0.66829%0.292SS*.Hα-helixtrans-67.3-36.4174.2-75.9176173.5-170-2.7112.6P103 G104 L105 S111P103-R107 WeakPolarHBondContact O-CG 3.25Å; P103-R107 PolarHBondContact O-N 3.04Å; G104-R107 WeakPolarHBondContact O-CB 3.45Å; G104-R107 PolarHBondContact O-N 3.23Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 2.74Å; R107-S111 VanDerWaalsContact O-CB 3.31Å; R107-S111 WeakPolarHBondContact O-CB 3.44Å; R107-S111 PolarHBondContact O-N 2.73Å
108V84.9Confident81.6Confident33 Ų3354.9 Ų54.920%0.232%0.32CS..Hα-helixtrans-67.4-44.7175.1-178.70000110.9A72 A76 G104 L105 V110 S111 Q112A72-V108 HydrophobicContact CB-CG2 4.23Å; A76-V108 HydrophobicContact CB-CG1 3.7Å; G104-V108 PolarHBondContact O-N 2.91Å; L105-V108 PolarHBondContact O-N 2.92Å; V108-V110 PolarHBondContact O-N 3.08Å; V108-S111 PolarHBondContact O-N 3.15Å; V108-Q112 HydrophobicContact CG1-CG 4.49Å; V108-Q112 PolarHBondContact O-N 2.79Å
109F86.9Confident81.3Confident2 Ų259.8 Ų59.81%0.00934%0.341CS..Hα-helixtrans-55.9-50.8174.4-59.5-29.3000112L15 M52 D75 A76 L79 F96 A100 L105 S111 Q112 L113L15-F109 HydrophobicContact CD2-CD2 4.03Å; L15-F109 HydrophobicContact CD2-CE2 3.56Å; L15-F109 HydrophobicContact CD2-CZ 3.89Å; M52-F109 HydrophobicContact CE-CE1 3.83Å; M52-F109 HydrophobicContact CE-CZ 3.52Å; D75-F109 HydrophobicContact CB-CE1 4.28Å; A76-F109 HydrophobicContact CB-CD1 3.63Å; A76-F109 HydrophobicContact CB-CE1 4.02Å; L79-F109 HydrophobicContact CD2-CB 3.99Å; L79-F109 HydrophobicContact CD2-CD1 3.95Å; L79-F109 HydrophobicContact CD2-CG 3.92Å; F96-F109 HydrophobicContact CE1-CB 3.6Å; F96-F109 HydrophobicContact CE1-CD2 4.11Å; F96-F109 HydrophobicContact CE1-CG 4.29Å; F96-F109 HydrophobicContact CZ-CB 3.85Å; F96-F109 AromaticContact CZ-CD2 3.98Å; F96-F109 HydrophobicContact CZ-CD2 3.98Å; F96-F109 HydrophobicContact CZ-CG 4.21Å; A100-F109 HydrophobicContact CB-CE2 4.36Å; L105-F109 HydrophobicContact CD1-CE1 3.7Å; L105-F109 HydrophobicContact CD1-CE2 4.29Å; L105-F109 HydrophobicContact CD1-CZ 3.55Å; L105-F109 HydrophobicContact CD2-CE2 4.29Å; L105-F109 HydrophobicContact CD2-CZ 3.93Å; L105-F109 HydrophobicContact CG-CE1 4.09Å; L105-F109 HydrophobicContact CG-CE2 3.74Å; L105-F109 HydrophobicContact CG-CZ 3.45Å; L105-F109 VanDerWaalsContact CG-CZ 3.45Å; L105-F109 PolarHBondContact O-N 2.81Å; L105-F109 VanDerWaalsContact O-N 3.1Å; F109-S111 PolarHBondContact O-N 3.14Å; F109-Q112 PolarHBondContact O-N 2.68Å; F109-L113 WeakPolarHBondContact O-CB 3.48Å; F109-L113 VanDerWaalsContact O-CG 3.29Å; F109-L113 WeakPolarHBondContact O-CG 3.31Å; F109-L113 PolarHBondContact O-N 2.89Å
110V87.8Confident81.3Confident14 Ų1458 Ų589%0.08533%0.329CS..Hα-helixtrans-60.9-44.5-179.6167.80000111.2F96 S106 V108 L113 Q114 S122F96-V110 HydrophobicContact CD1-CG2 3.89Å; F96-V110 HydrophobicContact CE1-CG2 4.37Å; S106-V110 WeakPolarHBondContact O-CB 3.28Å; S106-V110 VanDerWaalsContact O-CG2 3.25Å; S106-V110 WeakPolarHBondContact O-CG2 3.37Å; S106-V110 PolarHBondContact O-N 2.69Å; V108-V110 PolarHBondContact O-N 3.08Å; V110-L113 PolarHBondContact O-N 3.28Å; V110-Q114 HydrophobicContact CG1-CG 4.25Å; V110-Q114 VanDerWaalsContact O-CB 3.28Å; V110-Q114 WeakPolarHBondContact O-CB 3.42Å; V110-Q114 VanDerWaalsContact O-CG 3.26Å; V110-Q114 WeakPolarHBondContact O-CG 3.48Å; V110-Q114 PolarHBondContact O-N 3.1Å; V110-S122 WeakPolarHBondContact CG2-OG 3.31Å
111S87.3Confident81.7Confident77 Ų7757.5 Ų57.554%0.53833%0.325SS..Hα-helixtrans-61-47.8178.2-176.10000112.4R107 V108 F109 L113 Q114 A115R107-S111 VanDerWaalsContact O-CB 3.31Å; R107-S111 WeakPolarHBondContact O-CB 3.44Å; R107-S111 PolarHBondContact O-N 2.73Å; V108-S111 PolarHBondContact O-N 3.15Å; F109-S111 PolarHBondContact O-N 3.14Å; S111-L113 PolarHBondContact O-N 3.38Å; S111-Q114 PolarHBondContact O-N 3.39Å; S111-A115 PolarHBondContact O-N 3.04Å
112Q86.5Confident83Confident47 Ų4753.7 Ų53.722%0.2230%0.3CS..Hα-helixtrans-66.9-35.2178.9-68.2-167.212.700112.6N73 A76 V80 V108 F109 A115 F116N73-Q112 PolarHBondContact OD1-NE2 2.87Å; A76-Q112 VanDerWaalsContact CB-CD 3.47Å; A76-Q112 HydrophobicContact CB-CG 4.35Å; V80-Q112 HydrophobicContact CG2-CB 4.15Å; V108-Q112 HydrophobicContact CG1-CG 4.49Å; V108-Q112 PolarHBondContact O-N 2.79Å; F109-Q112 PolarHBondContact O-N 2.68Å; Q112-A115 WeakPolarHBondContact O-CB 3.26Å; Q112-F116 VanDerWaalsContact O-CD2 3.26Å; Q112-F116 WeakPolarHBondContact O-CD2 3.42Å; Q112-F116 WeakPolarHBondContact O-CE2 3.37Å
113L88.8Confident84.1Confident2 Ų247.7 Ų47.71%0.0127%0.272CS..Hα-helixtrans-74-33.5175.2-66.4170.6000112.4L79 V80 L83 L93 F96 F109 V110 S111 A115 F116 S117 L120L79-L113 HydrophobicContact CD2-CD1 4.2Å; V80-L113 HydrophobicContact CG2-CD2 4.11Å; L83-L113 HydrophobicContact CD1-CD2 3.66Å; L93-L113 HydrophobicContact CD2-CB 4.37Å; L93-L113 HydrophobicContact CD2-CD1 4.34Å; L93-L113 HydrophobicContact CD2-CD2 4.17Å; F96-L113 HydrophobicContact CB-CD1 4.17Å; F96-L113 HydrophobicContact CD1-CD1 4.01Å; F96-L113 HydrophobicContact CD2-CD1 3.57Å; F96-L113 HydrophobicContact CE1-CD1 4.3Å; F96-L113 HydrophobicContact CE2-CD1 3.89Å; F96-L113 HydrophobicContact CG-CD1 3.63Å; F96-L113 HydrophobicContact CZ-CD1 4.24Å; F109-L113 WeakPolarHBondContact O-CB 3.48Å; F109-L113 VanDerWaalsContact O-CG 3.29Å; F109-L113 WeakPolarHBondContact O-CG 3.31Å; F109-L113 PolarHBondContact O-N 2.89Å; V110-L113 PolarHBondContact O-N 3.28Å; S111-L113 PolarHBondContact O-N 3.38Å; L113-A115 PolarHBondContact O-N 3.47Å; L113-F116 PolarHBondContact O-N 2.86Å; L113-S117 PolarHBondContact O-N 2.62Å; L113-L120 HydrophobicContact CB-CD2 3.4Å; L113-L120 VanDerWaalsContact CB-CD2 3.4Å; L113-L120 HydrophobicContact CD1-CD2 4.22Å; L113-L120 HydrophobicContact CG-CD2 4.46Å
114Q88.6Confident85Confident72 Ų7244.7 Ų44.734%0.33625%0.253SS..Hα-helixtrans-65.6-22.4175.9-82.1175.1-16.600113.5V110 S111 F116 S117 P118 L120V110-Q114 HydrophobicContact CG1-CG 4.25Å; V110-Q114 VanDerWaalsContact O-CB 3.28Å; V110-Q114 WeakPolarHBondContact O-CB 3.42Å; V110-Q114 VanDerWaalsContact O-CG 3.26Å; V110-Q114 WeakPolarHBondContact O-CG 3.48Å; V110-Q114 PolarHBondContact O-N 3.1Å; S111-Q114 PolarHBondContact O-N 3.39Å; Q114-F116 PolarHBondContact O-N 3Å; Q114-S117 WeakPolarHBondContact CA-O 3.43Å; Q114-S117 CarbonylContact O-C 3.57Å; Q114-P118 WeakPolarHBondContact O-CA 3.31Å; Q114-L120 HydrophobicContact CG-CB 3.9Å; Q114-L120 HydrophobicContact CG-CD2 4.29Å; Q114-L120 PolarHBondContact NE2-O 3.37Å
115A86.5Confident85.5Confident78 Ų7843.6 Ų43.665%0.64524%0.238SC*.THydrogen-bonded Turntrans-63.4-21.2169.400000113.4S111 Q112 L113S111-A115 PolarHBondContact O-N 3.04Å; Q112-A115 WeakPolarHBondContact O-CB 3.26Å; L113-A115 PolarHBondContact O-N 3.47Å
116F84.2Confident86Confident90 Ų9043 Ų4340%0.39524%0.235SC..THydrogen-bonded Turntrans-108.6-30177.2-55.3-80.6000113.2V80 L90 Q112 L113 Q114V80-F116 HydrophobicContact CG1-CE2 3.94Å; V80-F116 HydrophobicContact CG1-CZ 4.43Å; L90-F116 HydrophobicContact CB-CB 3.59Å; L90-F116 HydrophobicContact CB-CG 4.27Å; L90-F116 HydrophobicContact CD1-CB 3.84Å; L90-F116 HydrophobicContact CD1-CD1 3.88Å; L90-F116 HydrophobicContact CD1-CD2 3.85Å; L90-F116 HydrophobicContact CD1-CE1 4.46Å; L90-F116 HydrophobicContact CD1-CE2 4.45Å; L90-F116 HydrophobicContact CD1-CG 3.56Å; L90-F116 HydrophobicContact CG-CB 4.36Å; Q112-F116 VanDerWaalsContact O-CD2 3.26Å; Q112-F116 WeakPolarHBondContact O-CD2 3.42Å; Q112-F116 WeakPolarHBondContact O-CE2 3.37Å; L113-F116 PolarHBondContact O-N 2.86Å; Q114-F116 PolarHBondContact O-N 3Å
117S85.3Confident86.1Confident12 Ų1244.7 Ų44.78%0.08425%0.246CC..  trans-127.988.2171.6-176.90000110.6L93 L113 Q114 K119 L120L93-S117 WeakPolarHBondContact O-CB 3.19Å; L93-S117 PolarHBondContact O-OG 2.82Å; L113-S117 PolarHBondContact O-N 2.62Å; Q114-S117 WeakPolarHBondContact CA-O 3.43Å; Q114-S117 CarbonylContact O-C 3.57Å; S117-K119 PolarHBondContact O-N 3.17Å; S117-L120 VanDerWaalsContact O-CB 3.23Å; S117-L120 WeakPolarHBondContact O-CB 3.47Å; S117-L120 PolarHBondContact O-N 3.4Å
118P82.4Confident86Confident106 Ų10637.4 Ų37.469%0.68823%0.226SC*.THydrogen-bonded Turntrans-63.8-4.2-177.2-25.635.9000115.7Q114Q114-P118 WeakPolarHBondContact O-CA 3.31Å
119K82.8Confident86.1Confident105 Ų10535.9 Ų35.946%0.45722%0.216SC..THydrogen-bonded Turntrans-112.69.6177.2-67.1-65-169.2160.50113.3S117 L121S117-K119 PolarHBondContact O-N 3.17Å; K119-L121 PolarHBondContact O-N 3.39Å
120L87.8Confident86.1Confident0 Ų035.9 Ų35.90%022%0.217CC..  trans-54.4124.5-179.6-178.663.3000113.2L93 F96 L113 Q114 S117 S122L93-L120 HydrophobicContact CD2-CD1 3.73Å; L93-L120 HydrophobicContact CD2-CD2 4.16Å; L93-L120 HydrophobicContact CG-CD1 3.65Å; F96-L120 HydrophobicContact CB-CD1 4.02Å; F96-L120 HydrophobicContact CB-CD2 4.03Å; F96-L120 HydrophobicContact CB-CG 4.26Å; L113-L120 HydrophobicContact CB-CD2 3.4Å; L113-L120 VanDerWaalsContact CB-CD2 3.4Å; L113-L120 HydrophobicContact CD1-CD2 4.22Å; L113-L120 HydrophobicContact CG-CD2 4.46Å; Q114-L120 HydrophobicContact CG-CB 3.9Å; Q114-L120 HydrophobicContact CG-CD2 4.29Å; Q114-L120 PolarHBondContact NE2-O 3.37Å; S117-L120 VanDerWaalsContact O-CB 3.23Å; S117-L120 WeakPolarHBondContact O-CB 3.47Å; S117-L120 PolarHBondContact O-N 3.4Å; L120-S122 PolarHBondContact O-N 2.94Å
121L88.8Confident86Confident3 Ų337.9 Ų37.92%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-77.2106.8171.6-61.4177.8000110.8V94 A95 F96 K119 L123 P341 P343 L344 L379 L437V94-L121 WeakPolarHBondContact O-CB 3.42Å; V94-L121 WeakPolarHBondContact O-CG 3.49Å; V94-L121 PolarHBondContact O-N 3.3Å; A95-L121 CarbonylContact C-O 3.22Å; A95-L121 WeakPolarHBondContact CA-O 3.46Å; A95-L121 HydrophobicContact CB-CB 3.91Å; F96-L121 PolarHBondContact N-O 2.66Å; K119-L121 PolarHBondContact O-N 3.39Å; L121-L123 PolarHBondContact O-N 2.98Å; L121-P341 HydrophobicContact CD2-CB 4.38Å; L121-P343 HydrophobicContact CD2-CB 3.81Å; L121-P343 HydrophobicContact CD2-CG 3.9Å; L121-L344 HydrophobicContact CD1-CD2 4.46Å; L121-L344 HydrophobicContact CD2-CD1 4.35Å; L121-L344 HydrophobicContact CD2-CD2 4.15Å; L121-L344 HydrophobicContact CD2-CG 3.8Å; L121-L379 HydrophobicContact CD1-CD2 3.89Å; L121-L379 HydrophobicContact CD2-CD2 4.34Å; L121-L437 HydrophobicContact CD1-CD2 3.65Å
122S89.9Confident85.9Confident24 Ų2437.8 Ų37.817%0.16821%0.213CC..EExtended strand (participates in β ladder)trans-77.3103.1170163.90000110.6V110 L120 P341V110-S122 WeakPolarHBondContact CG2-OG 3.31Å; L120-S122 PolarHBondContact O-N 2.94Å; S122-P341 WeakPolarHBondContact O-CB 3.42Å; S122-P341 WeakPolarHBondContact O-CG 3.46Å
123L90Very high86.1Confident2 Ų235.6 Ų35.61%0.0120%0.203CC..  trans-89.9-4.6176.9-59.7174.8000113A95 F96 Y97 L121 S125 I126 L248 P341 P438 L441A95-L123 HydrophobicContact CB-CD1 3.84Å; A95-L123 HydrophobicContact CB-CG 4.36Å; F96-L123 PolarHBondContact O-N 3.36Å; Y97-L123 HydrophobicContact CD2-CB 4.45Å; L121-L123 PolarHBondContact O-N 2.98Å; L123-S125 PolarHBondContact O-N 3.18Å; L123-I126 HydrophobicContact CD2-CG1 4.34Å; L123-I126 PolarHBondContact O-N 2.73Å; L123-L248 HydrophobicContact CD1-CD2 3.78Å; L123-L248 HydrophobicContact CD2-CD2 4.2Å; L123-P341 HydrophobicContact CD2-CG 4.03Å; L123-P438 HydrophobicContact CD1-CG 3.66Å; L123-L441 HydrophobicContact CB-CD1 4.22Å; L123-L441 HydrophobicContact CB-CD2 4.33Å; L123-L441 HydrophobicContact CD1-CD2 4.2Å
124C86.1Confident86.1Confident23 Ų2335.6 Ų35.616%0.15520%0.203CC..THydrogen-bonded Turntrans-57.1-21.3-178.9-510000114.3S98S98-C124 PolarHBondContact N-SG 2.9Å
125S81.8Confident86.1Confident25 Ų2536 Ų3618%0.17521%0.205CC..THydrogen-bonded Turntrans-94.3-6.1179.749.70000114.3L123 R132 S339L123-S125 PolarHBondContact O-N 3.18Å; S125-R132 PolarHBondContact O-NH2 2.74Å; S125-S339 VanDerWaalsContact CB-O 3.23Å; S125-S339 WeakPolarHBondContact CB-O 2.91Å; S125-S339 PolarHBondContact OG-O 2.96Å
126I85.9Confident86.3Confident1 Ų133.7 Ų33.71%0.00519%0.186CC..SBendtrans-68.6-47.9179.6-59.6-58.1000111.7L123 I129 Q241 L248 E251 L252 P341 L441L123-I126 HydrophobicContact CD2-CG1 4.34Å; L123-I126 PolarHBondContact O-N 2.73Å; I126-I129 WeakPolarHBondContact O-CB 3.42Å; I126-I129 WeakPolarHBondContact O-CG2 3.47Å; I126-I129 PolarHBondContact O-N 3.37Å; I126-Q241 PolarHBondContact O-NE2 3.36Å; I126-L248 HydrophobicContact CG1-CD1 4.45Å; I126-L248 HydrophobicContact CG2-CD1 4.09Å; I126-E251 HydrophobicContact CG2-CB 4.39Å; I126-E251 WeakPolarHBondContact CG2-OE2 3.46Å; I126-L252 HydrophobicContact CD1-CD2 3.66Å; I126-L252 HydrophobicContact CG1-CD2 4.3Å; I126-P341 HydrophobicContact CD1-CG 4.11Å; I126-L441 HydrophobicContact CB-CD1 3.96Å; I126-L441 HydrophobicContact CG2-CD1 4.25Å
127P83.6Confident86.6Confident45 Ų4529.4 Ų29.429%0.29217%0.167SC..THydrogen-bonded Turntrans-63.4140.1173.8-23.736.9000112.4Y97 I129 R132 L441Y97-P127 HydrophobicContact CE2-CG 3.83Å; P127-I129 PolarHBondContact O-N 3.29Å; P127-R132 PolarHBondContact O-NH1 2.82Å; P127-L441 HydrophobicContact CG-CD1 4.21Å
128G80.6Confident86.9Confident25 Ų2529 Ų2926%0.25816%0.164SC..THydrogen-bonded Turntrans68.612178.600000114.4A130 E131 R132G128-A130 PolarHBondContact O-N 3.02Å; G128-E131 PolarHBondContact O-N 3.33Å; G128-R132 PolarHBondContact O-N 3.08Å; G128-R132 PolarHBondContact O-NH1 3.35Å
129I85.9Confident87.2Confident0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-56.3-41.5174.7-172.9166.5000111.6I126 P127 T133 L237 T255 L336I126-I129 WeakPolarHBondContact O-CB 3.42Å; I126-I129 WeakPolarHBondContact O-CG2 3.47Å; I126-I129 PolarHBondContact O-N 3.37Å; P127-I129 PolarHBondContact O-N 3.29Å; I129-T133 VanDerWaalsContact O-CB 3.23Å; I129-T133 WeakPolarHBondContact O-CB 3.39Å; I129-T133 PolarHBondContact O-N 2.65Å; I129-T133 PolarHBondContact O-OG1 3.34Å; I129-L237 HydrophobicContact CG2-CD2 3.99Å; I129-T255 HydrophobicContact CD1-CG2 3.64Å; I129-L336 HydrophobicContact CD1-CD2 4.11Å; I129-L336 HydrophobicContact CG1-CD2 3.96Å
130A87.8Confident87.6Confident2 Ų225.2 Ų25.22%0.01715%0.153CC..Hα-helixtrans-63.4-41176.900000112.6G128 C134 L234 L237 N238G128-A130 PolarHBondContact O-N 3.02Å; A130-C134 VanDerWaalsContact O-CB 3.25Å; A130-C134 WeakPolarHBondContact O-CB 3.41Å; A130-C134 PolarHBondContact O-N 3.36Å; A130-L234 HydrophobicContact CB-CB 4.45Å; A130-L234 HydrophobicContact CB-CD2 4.37Å; A130-L234 WeakPolarHBondContact CB-O 3.31Å; A130-L237 HydrophobicContact CB-CB 4.5Å; A130-L237 HydrophobicContact CB-CD2 4.46Å; A130-L237 HydrophobicContact CB-CG 4.45Å; A130-N238 HydrophobicContact CB-CB 3.85Å
131E85.2Confident87.7Confident56 Ų5625.9 Ų25.926%0.26216%0.159SC..Hα-helixtrans-68.9-46.6179.6-177.6163.2-138.900112.1G128 T133 C134 Q135 Q179 Y180G128-E131 PolarHBondContact O-N 3.33Å; E131-T133 VanDerWaalsContact C-N 3.28Å; E131-T133 PolarHBondContact O-N 3.13Å; E131-C134 WeakPolarHBondContact O-CB 3.48Å; E131-C134 PolarHBondContact O-N 2.91Å; E131-Q135 WeakPolarHBondContact O-CB 3.43Å; E131-Q135 PolarHBondContact O-N 3.26Å; E131-Q179 VanDerWaalsContact OE1-C 3.3Å; E131-Q179 WeakPolarHBondContact OE1-CA 3.37Å; E131-Q179 WeakPolarHBondContact OE1-CB 3.26Å; E131-Y180 PolarHBondContact OE1-N 3.44Å
132R86.1Confident87.8Confident76 Ų7625.7 Ų25.729%0.28716%0.158SC..Hα-helixtrans-63.6-36.1176.9-63.9-171.8-52.1-83.6-4.4112.1S125 P127 G128 Q135 A136 S335 S339S125-R132 PolarHBondContact O-NH2 2.74Å; P127-R132 PolarHBondContact O-NH1 2.82Å; G128-R132 PolarHBondContact O-N 3.08Å; G128-R132 PolarHBondContact O-NH1 3.35Å; R132-Q135 PolarHBondContact O-N 2.83Å; R132-A136 WeakPolarHBondContact O-CB 3.47Å; R132-A136 PolarHBondContact O-N 3.3Å; R132-S335 PolarHBondContact O-OG 3.09Å; R132-S339 VanDerWaalsContact NH2-CB 3.35Å; R132-S339 PolarHBondContact NH2-OG 3.29Å
133T89.3Confident87.6Confident0 Ų027.4 Ų27.40%017%0.17CC..Hα-helixtrans-67.4-43175.2-59.90000111.7I129 E131 A136 G137 L234 Y262 A332 L336I129-T133 VanDerWaalsContact O-CB 3.23Å; I129-T133 WeakPolarHBondContact O-CB 3.39Å; I129-T133 PolarHBondContact O-N 2.65Å; I129-T133 PolarHBondContact O-OG1 3.34Å; E131-T133 VanDerWaalsContact C-N 3.28Å; E131-T133 PolarHBondContact O-N 3.13Å; T133-A136 PolarHBondContact O-N 3.23Å; T133-G137 PolarHBondContact O-N 3.43Å; T133-L234 HydrophobicContact CG2-CD1 4.02Å; T133-L234 HydrophobicContact CG2-CD2 3.53Å; T133-L234 HydrophobicContact CG2-CG 4.42Å; T133-Y262 HydrophobicContact CG2-CE2 4.08Å; T133-A332 HydrophobicContact CG2-CB 3.74Å; T133-L336 HydrophobicContact CG2-CD1 4.1Å; T133-L336 HydrophobicContact CG2-CD2 3.95Å; T133-L336 HydrophobicContact CG2-CG 3.69Å; T133-L336 VanDerWaalsContact OG1-CD2 3.28Å; T133-L336 WeakPolarHBondContact OG1-CD2 3.5Å
134C89.5Confident87.4Confident3 Ų330.1 Ų30.12%0.0218%0.182CC..Hα-helixtrans-59.4-46.4173.3179.50000111.3A130 E131 L138 Y180 L231 L234A130-C134 VanDerWaalsContact O-CB 3.25Å; A130-C134 WeakPolarHBondContact O-CB 3.41Å; A130-C134 PolarHBondContact O-N 3.36Å; E131-C134 WeakPolarHBondContact O-CB 3.48Å; E131-C134 PolarHBondContact O-N 2.91Å; C134-L138 WeakPolarHBondContact O-CB 3.16Å; C134-L138 WeakPolarHBondContact O-CG 3.43Å; C134-L138 PolarHBondContact O-N 2.74Å; C134-L138 VanDerWaalsContact SG-CD1 3.59Å; C134-Y180 PolarHBondContact SG-O 3.14Å; C134-L231 HydrophobicContact CB-CD2 4.41Å; C134-L234 HydrophobicContact CB-CD1 4.03Å
135Q89Confident87.4Confident80 Ų8029 Ų2937%0.37418%0.175SC..Hα-helixtrans-58.6-52174.4175.7170.721.100112.2E131 R132 G137 L138 T139 Y180E131-Q135 WeakPolarHBondContact O-CB 3.43Å; E131-Q135 PolarHBondContact O-N 3.26Å; R132-Q135 PolarHBondContact O-N 2.83Å; Q135-G137 PolarHBondContact O-N 2.8Å; Q135-L138 PolarHBondContact O-N 2.97Å; Q135-T139 WeakPolarHBondContact O-CB 3.36Å; Q135-T139 PolarHBondContact O-N 2.83Å; Q135-T139 PolarHBondContact O-OG1 3.32Å; Q135-Y180 VanDerWaalsContact CA-CD1 3.5Å; Q135-Y180 HydrophobicContact CB-CD1 3.74Å; Q135-Y180 HydrophobicContact CB-CD2 3.8Å; Q135-Y180 HydrophobicContact CB-CE1 3.94Å; Q135-Y180 HydrophobicContact CB-CE2 4.03Å; Q135-Y180 HydrophobicContact CB-CG 3.67Å; Q135-Y180 VanDerWaalsContact CD-CE2 3.45Å; Q135-Y180 HydrophobicContact CG-CD1 4.09Å; Q135-Y180 HydrophobicContact CG-CD2 4Å; Q135-Y180 HydrophobicContact CG-CE1 3.74Å; Q135-Y180 HydrophobicContact CG-CE2 3.67Å; Q135-Y180 HydrophobicContact CG-CG 4.21Å; Q135-Y180 PolarHBondContact NE2-OH 3.42Å
136A90.2Very high87.7Confident29 Ų2929.1 Ų29.124%0.2417%0.173CC..Hα-helixtrans-59.3-44.8-178.500000112.2R132 T133 A140 A331R132-A136 WeakPolarHBondContact O-CB 3.47Å; R132-A136 PolarHBondContact O-N 3.3Å; T133-A136 PolarHBondContact O-N 3.23Å; A136-A140 WeakPolarHBondContact O-CB 3.32Å; A136-A140 PolarHBondContact O-N 3Å; A136-A331 VanDerWaalsContact O-CB 3.3Å; A136-A331 WeakPolarHBondContact O-CB 3.17Å
137G91.5Very high87.7Confident0 Ų033 Ų330%019%0.194CC..Hα-helixtrans-64.1-50.717600000112.9T133 Q135 A140 F328T133-G137 PolarHBondContact O-N 3.43Å; Q135-G137 PolarHBondContact O-N 2.8Å; G137-A140 PolarHBondContact O-N 2.95Å; G137-F328 VanDerWaalsContact CA-CD2 3.49Å; G137-F328 VanDerWaalsContact O-CD2 3.25Å; G137-F328 WeakPolarHBondContact O-CD2 3.36Å
138L90.6Very high88Confident3 Ų330.9 Ų30.92%0.01618%0.181CC..Hα-helixtrans-64.7-47.2-177.1-76.3174.4000112.3C134 Q135 A140 A141 F142 S143 I146 Y180 L183 L227 L231 F328C134-L138 WeakPolarHBondContact O-CB 3.16Å; C134-L138 WeakPolarHBondContact O-CG 3.43Å; C134-L138 PolarHBondContact O-N 2.74Å; C134-L138 VanDerWaalsContact SG-CD1 3.59Å; Q135-L138 PolarHBondContact O-N 2.97Å; L138-A140 VanDerWaalsContact C-N 3.27Å; L138-A140 PolarHBondContact O-N 3.47Å; L138-A141 PolarHBondContact O-N 3.49Å; L138-F142 HydrophobicContact CD2-CB 4.1Å; L138-F142 CarbonylContact O-C 3.57Å; L138-F142 VanDerWaalsContact O-C 3.3Å; L138-F142 WeakPolarHBondContact O-CA 3.45Å; L138-F142 PolarHBondContact O-N 3.36Å; L138-S143 PolarHBondContact O-N 2.75Å; L138-I146 HydrophobicContact CB-CD1 4.05Å; L138-I146 HydrophobicContact CB-CG1 4.33Å; L138-Y180 HydrophobicContact CD1-CD1 4.26Å; L138-L183 HydrophobicContact CD1-CB 4.24Å; L138-L183 HydrophobicContact CD1-CD1 4.34Å; L138-L227 HydrophobicContact CD2-CD1 3.92Å; L138-L227 HydrophobicContact CD2-CD2 3.72Å; L138-L227 HydrophobicContact CD2-CG 4.44Å; L138-L231 HydrophobicContact CD1-CD1 4.44Å; L138-L231 HydrophobicContact CD2-CD1 4.27Å; L138-L231 HydrophobicContact CG-CD2 4.47Å; L138-F328 HydrophobicContact CD2-CE2 4.49Å; L138-F328 HydrophobicContact CG-CE2 4.43Å
139T89.4Confident88.3Confident77 Ų7729.8 Ų29.847%0.47217%0.169SC..Hα-helixtrans-67.9-26.3-178.6-58.30000112.7Q135Q135-T139 WeakPolarHBondContact O-CB 3.36Å; Q135-T139 PolarHBondContact O-N 2.83Å; Q135-T139 PolarHBondContact O-OG1 3.32Å
140A91.6Very high88.3Confident55 Ų5532.6 Ų32.646%0.45519%0.186SC..Hα-helixtrans-75.3-20.9-179.900000114.8A136 G137 L138 A331A136-A140 WeakPolarHBondContact O-CB 3.32Å; A136-A140 PolarHBondContact O-N 3Å; G137-A140 PolarHBondContact O-N 2.95Å; L138-A140 VanDerWaalsContact C-N 3.27Å; L138-A140 PolarHBondContact O-N 3.47Å; A140-A331 HydrophobicContact CB-CB 3.41Å; A140-A331 VanDerWaalsContact CB-CB 3.41Å
141A89.3Confident88.2Confident14 Ų1435.5 Ų35.512%0.11620%0.201CC..Hα-helixtrans-150.2-23.4-168.600000116L138 H144 D324 A327 F328L138-A141 PolarHBondContact O-N 3.49Å; A141-H144 PolarHBondContact O-CE1 3.45Å; A141-H144 VanDerWaalsContact O-CE1 3.23Å; A141-D324 HydrophobicContact CB-CB 4.15Å; A141-D324 WeakPolarHBondContact CB-O 3.45Å; A141-A327 HydrophobicContact CB-CB 4.13Å; A141-F328 HydrophobicContact CB-CB 4.22Å
142F90.8Very high88.3Confident0 Ų032.9 Ų32.90%019%0.189CC..  trans-130.133.3-168.5-65.5-85.4000113.4L138 H144 A145 I146 Q223 F226 L227 D324 F328L138-F142 HydrophobicContact CD2-CB 4.1Å; L138-F142 CarbonylContact O-C 3.57Å; L138-F142 VanDerWaalsContact O-C 3.3Å; L138-F142 WeakPolarHBondContact O-CA 3.45Å; L138-F142 PolarHBondContact O-N 3.36Å; F142-H144 VanDerWaalsContact C-N 3.28Å; F142-H144 AromaticContact CD1-NE2 3.63Å; F142-H144 PolarHBondContact O-N 3.32Å; F142-A145 HydrophobicContact CB-CB 4.36Å; F142-A145 WeakPolarHBondContact O-CB 3.44Å; F142-A145 PolarHBondContact O-N 3.16Å; F142-I146 PolarHBondContact O-N 3.27Å; F142-Q223 HydrophobicContact CD1-CB 4.02Å; F142-Q223 HydrophobicContact CD1-CG 4.21Å; F142-Q223 HydrophobicContact CE1-CB 3.88Å; F142-Q223 HydrophobicContact CE1-CG 3.88Å; F142-F226 HydrophobicContact CD2-CE1 4.49Å; F142-F226 HydrophobicContact CE1-CD1 4.09Å; F142-F226 AromaticContact CE2-CD1 3.9Å; F142-F226 HydrophobicContact CE2-CD1 3.9Å; F142-F226 AromaticContact CE2-CE1 3.55Å; F142-F226 HydrophobicContact CE2-CE1 3.55Å; F142-F226 AromaticContact CZ-CD1 3.48Å; F142-F226 HydrophobicContact CZ-CD1 3.48Å; F142-F226 VanDerWaalsContact CZ-CD1 3.48Å; F142-F226 AromaticContact CZ-CE1 3.59Å; F142-F226 HydrophobicContact CZ-CE1 3.59Å; F142-L227 HydrophobicContact CB-CD1 3.92Å; F142-L227 HydrophobicContact CB-CD2 4.29Å; F142-L227 HydrophobicContact CD1-CD1 3.94Å; F142-L227 HydrophobicContact CD1-CD2 4.34Å; F142-L227 HydrophobicContact CD1-CG 4.2Å; F142-L227 HydrophobicContact CD2-CD2 3.84Å; F142-L227 HydrophobicContact CE2-CD2 4.26Å; F142-L227 HydrophobicContact CG-CD1 3.95Å; F142-L227 HydrophobicContact CG-CD2 3.89Å; F142-L227 HydrophobicContact CG-CG 4.21Å; F142-D324 HydrophobicContact CE1-CB 4.5Å; F142-D324 HydrophobicContact CE2-CB 4.3Å; F142-D324 HydrophobicContact CZ-CB 3.99Å; F142-F328 HydrophobicContact CD2-CB 4.03Å; F142-F328 AromaticContact CD2-CD2 4Å; F142-F328 HydrophobicContact CD2-CD2 4Å; F142-F328 HydrophobicContact CD2-CG 4.38Å; F142-F328 HydrophobicContact CE2-CB 3.7Å; F142-F328 HydrophobicContact CE2-CD2 4.33Å; F142-F328 HydrophobicContact CE2-CG 4.28Å
143S86.1Confident88.2Confident59 Ų5930.6 Ų30.641%0.41318%0.181SC..Hα-helixtrans-52.7-43.7176.251.40000112.9L138 A145 I146 D147L138-S143 PolarHBondContact O-N 2.75Å; S143-A145 PolarHBondContact O-N 2.84Å; S143-A145 VanDerWaalsContact O-N 3.08Å; S143-I146 WeakPolarHBondContact O-CA 3.47Å; S143-I146 WeakPolarHBondContact O-CB 3.41Å; S143-I146 PolarHBondContact O-N 2.88Å; S143-D147 VanDerWaalsContact O-CG 3.29Å; S143-D147 PolarHBondContact O-N 3.2Å
144H84.8Confident87.9Confident59 Ų5933.5 Ų33.527%0.27320%0.201SC..Hα-helixtrans-55.9-25.9175.450.4-99.2000114.3A141 F142 D147 L148 Q223A141-H144 PolarHBondContact O-CE1 3.45Å; A141-H144 VanDerWaalsContact O-CE1 3.23Å; F142-H144 VanDerWaalsContact C-N 3.28Å; F142-H144 AromaticContact CD1-NE2 3.63Å; F142-H144 PolarHBondContact O-N 3.32Å; H144-D147 WeakPolarHBondContact CA-OD2 3.41Å; H144-L148 WeakPolarHBondContact O-CB 3.43Å; H144-L148 PolarHBondContact O-N 3.24Å; H144-L148 VanDerWaalsContact O-N 3.07Å; H144-Q223 PolarHBondContact CD2-OE1 3.28Å; H144-Q223 PolarHBondContact NE2-NE2 2.62Å; H144-Q223 VanDerWaalsContact NE2-NE2 3.11Å; H144-Q223 PolarHBondContact NE2-OE1 3.18Å; H144-Q223 VanDerWaalsContact NE2-OE1 3.12Å
145A87.3Confident87.7Confident1 Ų134.3 Ų34.31%0.00821%0.205CC..Hα-helixtrans-79.2-35.3173.900000111.5F142 S143 D147 L148 I149 F224 L227F142-A145 HydrophobicContact CB-CB 4.36Å; F142-A145 WeakPolarHBondContact O-CB 3.44Å; F142-A145 PolarHBondContact O-N 3.16Å; S143-A145 PolarHBondContact O-N 2.84Å; S143-A145 VanDerWaalsContact O-N 3.08Å; A145-D147 VanDerWaalsContact C-N 3.35Å; A145-L148 PolarHBondContact O-N 3.03Å; A145-I149 VanDerWaalsContact O-CD1 3.31Å; A145-I149 WeakPolarHBondContact O-CD1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.43Å; A145-I149 PolarHBondContact O-N 2.92Å; A145-F224 HydrophobicContact CB-CD2 4.44Å; A145-F224 HydrophobicContact CB-CE2 3.69Å; A145-F224 HydrophobicContact CB-CZ 4.02Å; A145-L227 HydrophobicContact CB-CD1 3.84Å
146I86.4Confident87.4Confident26 Ų2633.5 Ų33.513%0.13320%0.198CC..Hα-helixtrans-60.6-47.5169-49175.3000109.6L138 F142 S143 L148 I149 T150 Y180 L183L138-I146 HydrophobicContact CB-CD1 4.05Å; L138-I146 HydrophobicContact CB-CG1 4.33Å; F142-I146 PolarHBondContact O-N 3.27Å; S143-I146 WeakPolarHBondContact O-CA 3.47Å; S143-I146 WeakPolarHBondContact O-CB 3.41Å; S143-I146 PolarHBondContact O-N 2.88Å; I146-L148 PolarHBondContact O-N 3.45Å; I146-I149 PolarHBondContact O-N 3.22Å; I146-T150 WeakPolarHBondContact O-CB 3.43Å; I146-T150 PolarHBondContact O-N 3.49Å; I146-T150 PolarHBondContact O-OG1 3.42Å; I146-Y180 HydrophobicContact CD1-CE1 4.03Å; I146-L183 HydrophobicContact CB-CD1 4.44Å; I146-L183 HydrophobicContact CG1-CD1 4.19Å; I146-L183 HydrophobicContact CG2-CD1 3.72Å; I146-L183 HydrophobicContact CG2-CD2 4.21Å
147D86.9Confident86.9Confident84 Ų8435.7 Ų35.745%0.44921%0.212SC..Hα-helixtrans-59-47.8179.2-56.6-33.3000110.5S143 H144 A145 I149 T150 D151S143-D147 VanDerWaalsContact O-CG 3.29Å; S143-D147 PolarHBondContact O-N 3.2Å; H144-D147 WeakPolarHBondContact CA-OD2 3.41Å; A145-D147 VanDerWaalsContact C-N 3.35Å; D147-I149 PolarHBondContact O-N 2.96Å; D147-T150 WeakPolarHBondContact O-CB 3.48Å; D147-T150 PolarHBondContact O-N 3.24Å; D147-D151 VanDerWaalsContact O-CG 3.28Å; D147-D151 PolarHBondContact O-N 3.21Å
148L89.3Confident86.4Confident0 Ų041.8 Ų41.80%024%0.243CC..Hα-helixtrans-62.9-41.6177.6-176.961.4000112.9H144 A145 I146 T150 V152 M190 I211 R214 L215 V220 F224H144-L148 WeakPolarHBondContact O-CB 3.43Å; H144-L148 PolarHBondContact O-N 3.24Å; H144-L148 VanDerWaalsContact O-N 3.07Å; A145-L148 PolarHBondContact O-N 3.03Å; I146-L148 PolarHBondContact O-N 3.45Å; L148-T150 VanDerWaalsContact C-N 3.29Å; L148-T150 PolarHBondContact O-N 3.27Å; L148-V152 HydrophobicContact CD1-CG2 3.97Å; L148-V152 HydrophobicContact CG-CG2 4.35Å; L148-V152 VanDerWaalsContact O-CB 3.25Å; L148-V152 WeakPolarHBondContact O-CB 3.35Å; L148-V152 WeakPolarHBondContact O-CG2 3.22Å; L148-V152 PolarHBondContact O-N 2.91Å; L148-M190 HydrophobicContact CG-CE 4.49Å; L148-I211 HydrophobicContact CD1-CG2 4.19Å; L148-R214 HydrophobicContact CD1-CB 3.91Å; L148-R214 HydrophobicContact CD2-CB 4.16Å; L148-L215 HydrophobicContact CD2-CD2 4.14Å; L148-V220 HydrophobicContact CD2-CG1 3.88Å; L148-F224 HydrophobicContact CD2-CE2 3.88Å; L148-F224 HydrophobicContact CD2-CZ 4.09Å
149I88.2Confident85.6Confident2 Ų242.9 Ų42.91%0.0125%0.251CS..Hα-helixtrans-63.8-39.5175.2-65.9158.5000110.3A145 I146 D147 V152 H153 F170 F182 L183 V187 M190 F224A145-I149 VanDerWaalsContact O-CD1 3.31Å; A145-I149 WeakPolarHBondContact O-CD1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.43Å; A145-I149 PolarHBondContact O-N 2.92Å; I146-I149 PolarHBondContact O-N 3.22Å; D147-I149 PolarHBondContact O-N 2.96Å; I149-V152 PolarHBondContact O-N 2.87Å; I149-H153 VanDerWaalsContact O-CB 3.24Å; I149-H153 WeakPolarHBondContact O-CB 3.37Å; I149-H153 PolarHBondContact O-N 3.43Å; I149-F170 HydrophobicContact CG2-CE1 4.49Å; I149-F182 HydrophobicContact CG2-CE1 3.89Å; I149-L183 HydrophobicContact CB-CD2 4.05Å; I149-L183 HydrophobicContact CD1-CB 4.39Å; I149-L183 HydrophobicContact CD1-CD2 4.16Å; I149-L183 HydrophobicContact CG2-CD2 3.65Å; I149-V187 HydrophobicContact CD1-CG2 3.63Å; I149-M190 HydrophobicContact CG1-CE 4.47Å; I149-M190 HydrophobicContact CG1-SD 3.8Å; I149-F224 HydrophobicContact CD1-CE1 4.12Å; I149-F224 HydrophobicContact CD1-CZ 4.19Å; I149-F224 HydrophobicContact CG1-CE1 3.96Å; I149-F224 HydrophobicContact CG1-CZ 3.9Å
150T85.3Confident84.3Confident58 Ų5845.4 Ų45.436%0.35627%0.269SS..Hα-helixtrans-66.9-44.8-179.8-560000111.3I146 D147 L148 H153 C154I146-T150 WeakPolarHBondContact O-CB 3.43Å; I146-T150 PolarHBondContact O-N 3.49Å; I146-T150 PolarHBondContact O-OG1 3.42Å; D147-T150 WeakPolarHBondContact O-CB 3.48Å; D147-T150 PolarHBondContact O-N 3.24Å; L148-T150 VanDerWaalsContact C-N 3.29Å; L148-T150 PolarHBondContact O-N 3.27Å; T150-H153 PolarHBondContact O-N 2.93Å; T150-C154 VanDerWaalsContact O-CB 3.3Å; T150-C154 WeakPolarHBondContact O-CB 3.25Å; T150-C154 PolarHBondContact O-N 2.88Å
151D85.9Confident83.3Confident63 Ų6347.1 Ų47.134%0.33728%0.277SS..Hα-helixtrans-64-43.3175.6-68.5-34.2000111.8D147 H153 C154 H155 I211 R214D147-D151 VanDerWaalsContact O-CG 3.28Å; D147-D151 PolarHBondContact O-N 3.21Å; D151-H153 VanDerWaalsContact C-N 3.33Å; D151-H153 PolarHBondContact O-N 3.37Å; D151-C154 WeakPolarHBondContact O-CB 2.94Å; D151-C154 PolarHBondContact O-N 3.48Å; D151-H155 PolarHBondContact O-N 3.03Å; D151-I211 HydrophobicContact CB-CD1 4.01Å; D151-I211 HydrophobicContact CB-CG1 3.92Å; D151-R214 IonicContact OD2-CZ 2.68Å; D151-R214 IonicContact OD2-NH1 2.78Å; D151-R214 PolarHBondContact OD2-NH1 3.4Å; D151-R214 IonicContact OD2-NH2 3.33Å; D151-R214 PolarHBondContact OD2-NH2 2.98Å
152V86.5Confident82.7Confident1 Ų147.4 Ų47.41%0.00628%0.277CS..Hα-helixtrans-68.3-32.6178.31730000111.4L148 I149 Y156 L166 F170 M190 F201 I211L148-V152 HydrophobicContact CD1-CG2 3.97Å; L148-V152 HydrophobicContact CG-CG2 4.35Å; L148-V152 VanDerWaalsContact O-CB 3.25Å; L148-V152 WeakPolarHBondContact O-CB 3.35Å; L148-V152 WeakPolarHBondContact O-CG2 3.22Å; L148-V152 PolarHBondContact O-N 2.91Å; I149-V152 PolarHBondContact O-N 2.87Å; V152-Y156 WeakPolarHBondContact O-CB 3.44Å; V152-Y156 PolarHBondContact O-N 3.29Å; V152-L166 HydrophobicContact CG1-CD1 3.55Å; V152-F170 HydrophobicContact CG1-CE2 3.91Å; V152-F170 HydrophobicContact CG1-CZ 3.99Å; V152-M190 HydrophobicContact CB-CE 4.5Å; V152-M190 HydrophobicContact CG1-CE 4.34Å; V152-M190 HydrophobicContact CG2-CE 4.33Å; V152-F201 HydrophobicContact CG1-CE2 4.21Å; V152-F201 HydrophobicContact CG1-CZ 4.3Å; V152-F201 HydrophobicContact CG2-CE2 4.29Å; V152-F201 HydrophobicContact CG2-CZ 4.29Å; V152-I211 HydrophobicContact CG2-CD1 4.39Å; V152-I211 HydrophobicContact CG2-CG1 4.47Å; V152-I211 HydrophobicContact CG2-CG2 3.56Å
153H84.1Confident82.2Confident28 Ų2849.6 Ų49.613%0.1329%0.288CS..Hα-helixtrans-73.8-35170.6-178.2-99.5000112.8I149 T150 D151 Y156 S157 F170 F182I149-H153 VanDerWaalsContact O-CB 3.24Å; I149-H153 WeakPolarHBondContact O-CB 3.37Å; I149-H153 PolarHBondContact O-N 3.43Å; T150-H153 PolarHBondContact O-N 2.93Å; D151-H153 VanDerWaalsContact C-N 3.33Å; D151-H153 PolarHBondContact O-N 3.37Å; H153-Y156 CarbonylContact O-C 3.6Å; H153-Y156 WeakPolarHBondContact O-CB 3.38Å; H153-Y156 PolarHBondContact O-N 3.17Å; H153-S157 PolarHBondContact CE1-OG 2.59Å; H153-S157 WeakPolarHBondContact O-CB 3.39Å; H153-S157 PolarHBondContact O-N 3.29Å; H153-S157 PolarHBondContact O-OG 2.6Å; H153-F170 HydrophobicContact CB-CE1 3.92Å; H153-F170 HydrophobicContact CB-CE2 4.24Å; H153-F170 HydrophobicContact CB-CZ 3.72Å; H153-F170 AromaticContact CD2-CD1 3.75Å; H153-F170 AromaticContact CD2-CE1 3.96Å; H153-F170 AromaticContact CD2-CG 3.95Å; H153-F182 HydrophobicContact CB-CZ 4.33Å; H153-F182 AromaticContact CD2-CZ 3.56Å; H153-F182 AromaticContact CG-CZ 3.91Å
154C83.4Confident81.7Confident61 Ų6149.1 Ų49.141%0.41229%0.293SS..Hα-helixtrans-62.8-46.2174-168.90000110.3T150 D151 Y156 S157 I158T150-C154 VanDerWaalsContact O-CB 3.3Å; T150-C154 WeakPolarHBondContact O-CB 3.25Å; T150-C154 PolarHBondContact O-N 2.88Å; D151-C154 WeakPolarHBondContact O-CB 2.94Å; D151-C154 PolarHBondContact O-N 3.48Å; C154-Y156 PolarHBondContact O-N 3.07Å; C154-S157 PolarHBondContact O-N 3.16Å; C154-I158 WeakPolarHBondContact O-CG1 3.34Å; C154-I158 PolarHBondContact O-N 3.36Å; C154-I158 VanDerWaalsContact O-N 3.08Å
155H84.4Confident81.3Confident21 Ų2147.2 Ų47.210%0.09729%0.286CS..Hα-helixtrans-57.3-45.9170.9-173.568.3000112.3D151 S157 I158 C159 Y200 F201 E208 I211D151-H155 PolarHBondContact O-N 3.03Å; H155-S157 PolarHBondContact O-N 3.32Å; H155-I158 PolarHBondContact O-N 3.06Å; H155-C159 WeakPolarHBondContact O-CB 3.15Å; H155-C159 PolarHBondContact O-N 3.14Å; H155-Y200 AromaticContact CD2-CE1 3.99Å; H155-Y200 AromaticContact NE2-CE1 3.74Å; H155-Y200 AromaticContact NE2-CZ 3.8Å; H155-Y200 PolarHBondContact NE2-OH 2.8Å; H155-F201 HydrophobicContact CB-CE1 4.46Å; H155-F201 HydrophobicContact CB-CZ 4.45Å; H155-F201 AromaticContact CD2-CE1 3.58Å; H155-F201 AromaticContact CD2-CZ 3.62Å; H155-F201 AromaticContact CG-CE1 3.93Å; H155-F201 AromaticContact NE2-CE1 3.96Å; H155-E208 IonicContact CE1-OE1 2.75Å; H155-E208 PolarHBondContact CE1-OE1 3.35Å; H155-E208 VanDerWaalsContact CE1-OE1 3.22Å; H155-E208 IonicContact ND1-OE1 3.67Å; H155-I211 HydrophobicContact CB-CD1 4.27Å
156Y82.6Confident81Confident62 Ų6247.1 Ų47.124%0.24329%0.286CS..Hα-helixtrans-60.8-29.9174.5174.4-99.8000113.7V152 H153 C154 I162 L166 K167 F170V152-Y156 WeakPolarHBondContact O-CB 3.44Å; V152-Y156 PolarHBondContact O-N 3.29Å; H153-Y156 CarbonylContact O-C 3.6Å; H153-Y156 WeakPolarHBondContact O-CB 3.38Å; H153-Y156 PolarHBondContact O-N 3.17Å; C154-Y156 PolarHBondContact O-N 3.07Å; Y156-I162 HydrophobicContact CD2-CD1 3.83Å; Y156-I162 HydrophobicContact CD2-CG2 4.17Å; Y156-I162 HydrophobicContact CE2-CD1 4.39Å; Y156-I162 HydrophobicContact CG-CD1 4.37Å; Y156-I162 WeakPolarHBondContact O-CD1 3.35Å; Y156-L166 HydrophobicContact CD2-CD2 4.22Å; Y156-L166 HydrophobicContact CD2-CG 4.11Å; Y156-K167 HydrophobicContact CE2-CG 4.06Å; Y156-F170 HydrophobicContact CD1-CB 3.71Å; Y156-F170 AromaticContact CD1-CD2 3.72Å; Y156-F170 HydrophobicContact CD1-CD2 3.72Å; Y156-F170 AromaticContact CD1-CG 3.95Å; Y156-F170 HydrophobicContact CD1-CG 3.95Å; Y156-F170 HydrophobicContact CD2-CB 4.29Å; Y156-F170 AromaticContact CD2-CD2 3.77Å; Y156-F170 HydrophobicContact CD2-CD2 3.77Å; Y156-F170 HydrophobicContact CE1-CB 3.5Å; Y156-F170 HydrophobicContact CE1-CD2 4.36Å; Y156-F170 HydrophobicContact CE1-CG 4.26Å; Y156-F170 HydrophobicContact CE2-CB 4.14Å; Y156-F170 HydrophobicContact CE2-CD2 4.42Å; Y156-F170 HydrophobicContact CG-CB 4.11Å; Y156-F170 AromaticContact CG-CD2 3.39Å; Y156-F170 HydrophobicContact CG-CD2 3.39Å; Y156-F170 HydrophobicContact CG-CE2 4.14Å; Y156-F170 HydrophobicContact CG-CG 4.09Å
157S80.3Confident80.8Confident75 Ų7551 Ų5152%0.52430%0.302SS..Hα-helixtrans-83.4-23.6-179-57.30000113.4H153 C154 H155H153-S157 PolarHBondContact CE1-OG 2.59Å; H153-S157 WeakPolarHBondContact O-CB 3.39Å; H153-S157 PolarHBondContact O-N 3.29Å; H153-S157 PolarHBondContact O-OG 2.6Å; C154-S157 PolarHBondContact O-N 3.16Å; H155-S157 PolarHBondContact O-N 3.32Å
158I80.3Confident80.5Confident128 Ų12851.6 Ų51.666%0.65630%0.302SS*.Hα-helixtrans-108-32-172.3-63.2172.5000112.2C154 H155 P160C154-I158 WeakPolarHBondContact O-CG1 3.34Å; C154-I158 PolarHBondContact O-N 3.36Å; C154-I158 VanDerWaalsContact O-N 3.08Å; H155-I158 PolarHBondContact O-N 3.06Å; I158-P160 WeakPolarHBondContact O-CD 3.48Å
159C74.6Confident80.1Confident26 Ų2651.7 Ų51.718%0.17630%0.302CS..  trans-78.2124-174.3-172.70000112.2H155 S161 I162H155-C159 WeakPolarHBondContact O-CB 3.15Å; H155-C159 PolarHBondContact O-N 3.14Å; C159-S161 VanDerWaalsContact C-N 3.33Å; C159-S161 PolarHBondContact O-N 3.03Å; C159-I162 HydrophobicContact CB-CD1 4.1Å; C159-I162 HydrophobicContact CB-CG1 3.78Å; C159-I162 WeakPolarHBondContact O-CD1 3.41Å; C159-I162 WeakPolarHBondContact O-CG1 3.37Å
160P61.9Low79.7Confident131 Ų13151.6 Ų51.685%0.85130%0.302SS*.SBendtrans-75.7-18.9178.429.8-35000113.7I158I158-P160 WeakPolarHBondContact O-CD 3.48Å
161S70.8Confident78.8Confident91 Ų9150.8 Ų50.864%0.63630%0.301SS*.SBendtrans-119.773.2-17258.50000112.1C159C159-S161 VanDerWaalsContact C-N 3.33Å; C159-S161 PolarHBondContact O-N 3.03Å
162I77.8Confident77.5Confident20 Ų2056 Ų5610%0.10333%0.329CS..  trans-100.7139.7-175.2-65.1160.7000112.1Y156 C159 L166 K167Y156-I162 HydrophobicContact CD2-CD1 3.83Å; Y156-I162 HydrophobicContact CD2-CG2 4.17Å; Y156-I162 HydrophobicContact CE2-CD1 4.39Å; Y156-I162 HydrophobicContact CG-CD1 4.37Å; Y156-I162 WeakPolarHBondContact O-CD1 3.35Å; C159-I162 HydrophobicContact CB-CD1 4.1Å; C159-I162 HydrophobicContact CB-CG1 3.78Å; C159-I162 WeakPolarHBondContact O-CD1 3.41Å; C159-I162 WeakPolarHBondContact O-CG1 3.37Å; I162-L166 HydrophobicContact CG2-CB 3.67Å; I162-L166 HydrophobicContact CG2-CD2 3.66Å; I162-L166 HydrophobicContact CG2-CG 4.06Å; I162-K167 HydrophobicContact CG2-CG 4.02Å; I162-K167 WeakPolarHBondContact O-CE 3.39Å; I162-K167 PolarHBondContact O-NZ 2.77Å
163N79.3Confident76Confident45 Ų4558.3 Ų58.324%0.24134%0.343CS..  trans-70.9171.617983.6-11.2000113.8S165 L166 K167 Y200N163-S165 PolarHBondContact OD1-N 2.95Å; N163-L166 VanDerWaalsContact OD1-CB 3.29Å; N163-L166 WeakPolarHBondContact OD1-CB 3.49Å; N163-L166 PolarHBondContact OD1-N 2.83Å; N163-K167 WeakPolarHBondContact O-CG 3.42Å; N163-K167 PolarHBondContact O-N 3.27Å; N163-Y200 HydrophobicContact CB-CD2 3.93Å; N163-Y200 HydrophobicContact CB-CE2 4.1Å
164G76.5Confident74.4Confident50 Ų5059.4 Ų59.452%0.51536%0.362SS..Hα-helixtrans-62.5-47179.100000113.3L166 K167 E168G164-L166 PolarHBondContact O-N 3.17Å; G164-K167 WeakPolarHBondContact O-CB 3.48Å; G164-K167 PolarHBondContact O-N 2.59Å; G164-K167 VanDerWaalsContact O-N 3.13Å; G164-E168 PolarHBondContact O-N 2.84Å
165S76.1Confident72.5Confident18 Ų1862.3 Ų62.313%0.12638%0.38CS..Hα-helixtrans-64.4-36.5-174.1-50.20000113.3N163 E168 V169 D196N163-S165 PolarHBondContact OD1-N 2.95Å; S165-E168 PolarHBondContact O-N 3.12Å; S165-V169 WeakPolarHBondContact O-CG2 3.5Å; S165-V169 PolarHBondContact O-N 3.44Å; S165-D196 WeakPolarHBondContact OG-CB 3.2Å; S165-D196 PolarHBondContact OG-OD2 3.04Å
166L81.3Confident70.6Confident0 Ų069.3 Ų69.30%041%0.412CS..Hα-helixtrans-71.8-33.4175.4-164.872.9000112V152 Y156 I162 N163 G164 V169 F170 L197 Y200 F201V152-L166 HydrophobicContact CG1-CD1 3.55Å; Y156-L166 HydrophobicContact CD2-CD2 4.22Å; Y156-L166 HydrophobicContact CD2-CG 4.11Å; I162-L166 HydrophobicContact CG2-CB 3.67Å; I162-L166 HydrophobicContact CG2-CD2 3.66Å; I162-L166 HydrophobicContact CG2-CG 4.06Å; N163-L166 VanDerWaalsContact OD1-CB 3.29Å; N163-L166 WeakPolarHBondContact OD1-CB 3.49Å; N163-L166 PolarHBondContact OD1-N 2.83Å; G164-L166 PolarHBondContact O-N 3.17Å; L166-V169 PolarHBondContact O-N 3.09Å; L166-F170 HydrophobicContact CD1-CD2 4.37Å; L166-F170 HydrophobicContact CD1-CE2 3.9Å; L166-F170 HydrophobicContact CG-CD2 4.32Å; L166-F170 HydrophobicContact CG-CE2 4.28Å; L166-F170 PolarHBondContact O-N 2.82Å; L166-L197 HydrophobicContact CB-CD2 4.47Å; L166-L197 HydrophobicContact CD1-CD2 3.63Å; L166-Y200 HydrophobicContact CD2-CE1 4.06Å; L166-F201 HydrophobicContact CD1-CE2 4.41Å
167K81.2Confident68.9Low108 Ų10869.2 Ų69.247%0.4742%0.416SS..Hα-helixtrans-65.4-36.8170.6-74.1166.9178.8163.10112.3Y156 I162 N163 G164 F170 A171Y156-K167 HydrophobicContact CE2-CG 4.06Å; I162-K167 HydrophobicContact CG2-CG 4.02Å; I162-K167 WeakPolarHBondContact O-CE 3.39Å; I162-K167 PolarHBondContact O-NZ 2.77Å; N163-K167 WeakPolarHBondContact O-CG 3.42Å; N163-K167 PolarHBondContact O-N 3.27Å; G164-K167 WeakPolarHBondContact O-CB 3.48Å; G164-K167 PolarHBondContact O-N 2.59Å; G164-K167 VanDerWaalsContact O-N 3.13Å; K167-F170 CarbonylContact O-C 3.47Å; K167-A171 WeakPolarHBondContact O-CA 3.41Å; K167-A171 WeakPolarHBondContact O-CB 3.38Å; K167-A171 PolarHBondContact O-N 2.93Å
168E79.8Confident67.3Low95 Ų9571.1 Ų71.144%0.44443%0.426SS..Hα-helixtrans-65.1-42.6172.2-72.2-179.4-165.400112G164 S165 F170 A171 K189 R193G164-E168 PolarHBondContact O-N 2.84Å; S165-E168 PolarHBondContact O-N 3.12Å; E168-F170 PolarHBondContact O-N 3.1Å; E168-A171 PolarHBondContact O-N 3.4Å; E168-K189 WeakPolarHBondContact O-CD 3.15Å; E168-K189 PolarHBondContact O-NZ 2.95Å; E168-R193 VanDerWaalsContact CD-NH2 3.32Å; E168-R193 IonicContact OE1-CZ 3.25Å; E168-R193 IonicContact OE1-NH2 3.71Å; E168-R193 PolarHBondContact OE1-NH2 3.05Å; E168-R193 VanDerWaalsContact OE1-NH2 3.14Å; E168-R193 IonicContact OE2-CZ 2.69Å; E168-R193 IonicContact OE2-NE 3.77Å; E168-R193 PolarHBondContact OE2-NE 3.21Å; E168-R193 IonicContact OE2-NH2 3.58Å; E168-R193 PolarHBondContact OE2-NH2 3.21Å
169V81.9Confident66.6Low2 Ų270 Ų701%0.01242%0.418CS..Hα-helixtrans-54.3-49.9176.6171.10000110.7S165 L166 K189 M190 L197S165-V169 WeakPolarHBondContact O-CG2 3.5Å; S165-V169 PolarHBondContact O-N 3.44Å; L166-V169 PolarHBondContact O-N 3.09Å; V169-K189 HydrophobicContact CG2-CB 4.13Å; V169-K189 WeakPolarHBondContact O-CD 3.48Å; V169-K189 PolarHBondContact O-NZ 2.81Å; V169-M190 HydrophobicContact CG1-CG 3.77Å; V169-M190 HydrophobicContact CG1-SD 4.44Å; V169-M190 HydrophobicContact CG2-CG 4.2Å; V169-L197 HydrophobicContact CG2-CD1 4.34Å; V169-L197 HydrophobicContact CG2-CD2 4.45Å
170F80.1Confident66.2Low1 Ų171.2 Ų71.20%0.00442%0.42CS..THydrogen-bonded Turntrans-101.423.1-179.3-54.7-62.4000114.7I149 V152 H153 Y156 L166 K167 E168 T173 F182I149-F170 HydrophobicContact CG2-CE1 4.49Å; V152-F170 HydrophobicContact CG1-CE2 3.91Å; V152-F170 HydrophobicContact CG1-CZ 3.99Å; H153-F170 HydrophobicContact CB-CE1 3.92Å; H153-F170 HydrophobicContact CB-CE2 4.24Å; H153-F170 HydrophobicContact CB-CZ 3.72Å; H153-F170 AromaticContact CD2-CD1 3.75Å; H153-F170 AromaticContact CD2-CE1 3.96Å; H153-F170 AromaticContact CD2-CG 3.95Å; Y156-F170 HydrophobicContact CD1-CB 3.71Å; Y156-F170 AromaticContact CD1-CD2 3.72Å; Y156-F170 HydrophobicContact CD1-CD2 3.72Å; Y156-F170 AromaticContact CD1-CG 3.95Å; Y156-F170 HydrophobicContact CD1-CG 3.95Å; Y156-F170 HydrophobicContact CD2-CB 4.29Å; Y156-F170 AromaticContact CD2-CD2 3.77Å; Y156-F170 HydrophobicContact CD2-CD2 3.77Å; Y156-F170 HydrophobicContact CE1-CB 3.5Å; Y156-F170 HydrophobicContact CE1-CD2 4.36Å; Y156-F170 HydrophobicContact CE1-CG 4.26Å; Y156-F170 HydrophobicContact CE2-CB 4.14Å; Y156-F170 HydrophobicContact CE2-CD2 4.42Å; Y156-F170 HydrophobicContact CG-CB 4.11Å; Y156-F170 AromaticContact CG-CD2 3.39Å; Y156-F170 HydrophobicContact CG-CD2 3.39Å; Y156-F170 HydrophobicContact CG-CE2 4.14Å; Y156-F170 HydrophobicContact CG-CG 4.09Å; L166-F170 HydrophobicContact CD1-CD2 4.37Å; L166-F170 HydrophobicContact CD1-CE2 3.9Å; L166-F170 HydrophobicContact CG-CD2 4.32Å; L166-F170 HydrophobicContact CG-CE2 4.28Å; L166-F170 PolarHBondContact O-N 2.82Å; K167-F170 CarbonylContact O-C 3.47Å; E168-F170 PolarHBondContact O-N 3.1Å; F170-T173 HydrophobicContact CB-CG2 4.37Å; F170-T173 WeakPolarHBondContact O-CG2 3.42Å; F170-T173 PolarHBondContact O-OG1 2.84Å; F170-F182 HydrophobicContact CD1-CE1 4.49Å; F170-F182 AromaticContact CD1-CE2 3.98Å; F170-F182 HydrophobicContact CD1-CE2 3.98Å; F170-F182 AromaticContact CD1-CZ 3.55Å; F170-F182 HydrophobicContact CD1-CZ 3.55Å; F170-F182 HydrophobicContact CE1-CE1 4.15Å; F170-F182 HydrophobicContact CE1-CE2 4.44Å; F170-F182 AromaticContact CE1-CZ 3.58Å; F170-F182 HydrophobicContact CE1-CZ 3.58Å
171A65.3Low66.3Low40 Ų4065.9 Ų65.933%0.33138%0.384SS..THydrogen-bonded Turntrans-64.1136.9169.900000111.1K167 E168 K189K167-A171 WeakPolarHBondContact O-CA 3.41Å; K167-A171 WeakPolarHBondContact O-CB 3.38Å; K167-A171 PolarHBondContact O-N 2.93Å; E168-A171 PolarHBondContact O-N 3.4Å; A171-K189 PolarHBondContact O-NZ 2.91Å
172N59.2Low66.4Low173 Ų17362.9 Ų62.993%0.92536%0.359SS*.THydrogen-bonded Turntrans74.526.3179-51.2-22.5000116.6
173T54.7Low66.3Low49 Ų4962.3 Ų62.330%0.30136%0.356SS..  trans-104.6130.6-175.363.50000112.9F170 F182F170-T173 HydrophobicContact CB-CG2 4.37Å; F170-T173 WeakPolarHBondContact O-CG2 3.42Å; F170-T173 PolarHBondContact O-OG1 2.84Å; T173-F182 HydrophobicContact CG2-CD2 3.72Å; T173-F182 HydrophobicContact CG2-CE2 3.48Å; T173-F182 VanDerWaalsContact CG2-CE2 3.48Å
174G51.4Low66.3Low51 Ų5160.4 Ų60.453%0.52635%0.347SS..  trans-75.8164.1173.900000113.3H176G174-H176 PolarHBondContact O-N 3.37Å
175P43.3Very low66.6Low123 Ų12360.7 Ų60.780%0.79934%0.335SS*.SBendtrans-75.211.7-169.932-38.1000115.6
176H45.2Very low67.1Low167 Ų16760 Ų6077%0.77333%0.33SS*.  trans-134119.5-176.2-62.3-29.2000110.9G174G174-H176 PolarHBondContact O-N 3.37Å
177L45.2Very low67.5Low61 Ų6160 Ų6032%0.31933%0.33SS..  trans-110.9116.9171.2-16863.3000106.5F182L177-F182 HydrophobicContact CD1-CB 3.83Å; L177-F182 HydrophobicContact CD1-CD1 3.36Å; L177-F182 HydrophobicContact CD1-CD2 4.09Å; L177-F182 HydrophobicContact CD1-CE1 3.85Å; L177-F182 HydrophobicContact CD1-CE2 4.47Å; L177-F182 HydrophobicContact CD1-CG 3.52Å; L177-F182 HydrophobicContact CD1-CZ 4.38Å; L177-F182 HydrophobicContact CD2-CD1 4.17Å; L177-F182 HydrophobicContact CD2-CE1 3.87Å; L177-F182 HydrophobicContact CD2-CZ 4.38Å; L177-F182 HydrophobicContact CG-CD1 4.44Å
178P47.9Very low67.8Low115 Ų11557.9 Ų57.975%0.74732%0.322SS*.  -139.7112.18534.1-17.2000113.3
179Q65.3Low68.2Low103 Ų10356.3 Ų56.348%0.48131%0.313SS..  trans-135.5125.3167.2-71.9-179.10.300108.1E131 L181 F182E131-Q179 VanDerWaalsContact OE1-C 3.3Å; E131-Q179 WeakPolarHBondContact OE1-CA 3.37Å; E131-Q179 WeakPolarHBondContact OE1-CB 3.26Å; Q179-L181 PolarHBondContact O-N 3.02Å; Q179-F182 WeakPolarHBondContact O-CB 3.33Å; Q179-F182 PolarHBondContact O-N 3.15Å; Q179-F182 VanDerWaalsContact O-N 3.09Å
180Y65.5Low68.6Low53 Ų5356.2 Ų56.221%0.20831%0.313CS..Hα-helixtrans-70.4-19.3-179.1-72.5-101.7000111.3E131 C134 Q135 L138 I146 F182 L183 A184E131-Y180 PolarHBondContact OE1-N 3.44Å; C134-Y180 PolarHBondContact SG-O 3.14Å; Q135-Y180 VanDerWaalsContact CA-CD1 3.5Å; Q135-Y180 HydrophobicContact CB-CD1 3.74Å; Q135-Y180 HydrophobicContact CB-CD2 3.8Å; Q135-Y180 HydrophobicContact CB-CE1 3.94Å; Q135-Y180 HydrophobicContact CB-CE2 4.03Å; Q135-Y180 HydrophobicContact CB-CG 3.67Å; Q135-Y180 VanDerWaalsContact CD-CE2 3.45Å; Q135-Y180 HydrophobicContact CG-CD1 4.09Å; Q135-Y180 HydrophobicContact CG-CD2 4Å; Q135-Y180 HydrophobicContact CG-CE1 3.74Å; Q135-Y180 HydrophobicContact CG-CE2 3.67Å; Q135-Y180 HydrophobicContact CG-CG 4.21Å; Q135-Y180 PolarHBondContact NE2-OH 3.42Å; L138-Y180 HydrophobicContact CD1-CD1 4.26Å; I146-Y180 HydrophobicContact CD1-CE1 4.03Å; Y180-F182 VanDerWaalsContact C-N 3.35Å; Y180-F182 PolarHBondContact O-N 3.08Å; Y180-L183 HydrophobicContact CD1-CD1 3.68Å; Y180-L183 HydrophobicContact CE1-CD1 4.14Å; Y180-L183 HydrophobicContact CG-CD1 4.19Å; Y180-L183 WeakPolarHBondContact O-CB 3.19Å; Y180-L183 PolarHBondContact O-N 3.45Å; Y180-A184 PolarHBondContact O-N 3.06Å; Y180-A184 VanDerWaalsContact O-N 3.1Å
181L64.5Low69.1Low18 Ų1856.4 Ų56.49%0.09432%0.315CS..Hα-helixtrans-58.4-39166.917860.5000114.2Q179 L183 A184 H185 N238Q179-L181 PolarHBondContact O-N 3.02Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-A184 PolarHBondContact O-N 3.2Å; L181-H185 PolarHBondContact O-N 2.76Å; L181-H185 PolarHBondContact O-ND1 2.91Å; L181-N238 HydrophobicContact CD1-CB 4Å; L181-N238 VanDerWaalsContact CD1-CG 3.42Å; L181-N238 WeakPolarHBondContact CD1-ND2 3.29Å; L181-N238 WeakPolarHBondContact CD2-ND2 3.45Å
182F73.1Confident70.2Confident28 Ų2858.1 Ų58.112%0.12333%0.329CS..Hα-helixtrans-65.4-38.1175.7163-76.3000110.4I149 H153 F170 T173 L177 Q179 Y180 H185 S186I149-F182 HydrophobicContact CG2-CE1 3.89Å; H153-F182 HydrophobicContact CB-CZ 4.33Å; H153-F182 AromaticContact CD2-CZ 3.56Å; H153-F182 AromaticContact CG-CZ 3.91Å; F170-F182 HydrophobicContact CD1-CE1 4.49Å; F170-F182 AromaticContact CD1-CE2 3.98Å; F170-F182 HydrophobicContact CD1-CE2 3.98Å; F170-F182 AromaticContact CD1-CZ 3.55Å; F170-F182 HydrophobicContact CD1-CZ 3.55Å; F170-F182 HydrophobicContact CE1-CE1 4.15Å; F170-F182 HydrophobicContact CE1-CE2 4.44Å; F170-F182 AromaticContact CE1-CZ 3.58Å; F170-F182 HydrophobicContact CE1-CZ 3.58Å; T173-F182 HydrophobicContact CG2-CD2 3.72Å; T173-F182 HydrophobicContact CG2-CE2 3.48Å; T173-F182 VanDerWaalsContact CG2-CE2 3.48Å; L177-F182 HydrophobicContact CD1-CB 3.83Å; L177-F182 HydrophobicContact CD1-CD1 3.36Å; L177-F182 HydrophobicContact CD1-CD2 4.09Å; L177-F182 HydrophobicContact CD1-CE1 3.85Å; L177-F182 HydrophobicContact CD1-CE2 4.47Å; L177-F182 HydrophobicContact CD1-CG 3.52Å; L177-F182 HydrophobicContact CD1-CZ 4.38Å; L177-F182 HydrophobicContact CD2-CD1 4.17Å; L177-F182 HydrophobicContact CD2-CE1 3.87Å; L177-F182 HydrophobicContact CD2-CZ 4.38Å; L177-F182 HydrophobicContact CG-CD1 4.44Å; Q179-F182 WeakPolarHBondContact O-CB 3.33Å; Q179-F182 PolarHBondContact O-N 3.15Å; Q179-F182 VanDerWaalsContact O-N 3.09Å; Y180-F182 VanDerWaalsContact C-N 3.35Å; Y180-F182 PolarHBondContact O-N 3.08Å; F182-H185 PolarHBondContact O-N 3.18Å; F182-S186 WeakPolarHBondContact CE1-OG 3.31Å; F182-S186 WeakPolarHBondContact O-CB 3.02Å; F182-S186 PolarHBondContact O-N 2.91Å; F182-S186 PolarHBondContact O-OG 2.68Å
183L76.7Confident71.7Confident8 Ų854 Ų544%0.04230%0.3CS..Hα-helixtrans-64.8-44.6178.5-58.3172.8000110.5L138 I146 I149 Y180 L181 H185 S186 V187L138-L183 HydrophobicContact CD1-CB 4.24Å; L138-L183 HydrophobicContact CD1-CD1 4.34Å; I146-L183 HydrophobicContact CB-CD1 4.44Å; I146-L183 HydrophobicContact CG1-CD1 4.19Å; I146-L183 HydrophobicContact CG2-CD1 3.72Å; I146-L183 HydrophobicContact CG2-CD2 4.21Å; I149-L183 HydrophobicContact CB-CD2 4.05Å; I149-L183 HydrophobicContact CD1-CB 4.39Å; I149-L183 HydrophobicContact CD1-CD2 4.16Å; I149-L183 HydrophobicContact CG2-CD2 3.65Å; Y180-L183 HydrophobicContact CD1-CD1 3.68Å; Y180-L183 HydrophobicContact CE1-CD1 4.14Å; Y180-L183 HydrophobicContact CG-CD1 4.19Å; Y180-L183 WeakPolarHBondContact O-CB 3.19Å; Y180-L183 PolarHBondContact O-N 3.45Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L183-H185 PolarHBondContact O-N 3.42Å; L183-S186 PolarHBondContact O-N 3.4Å; L183-S186 VanDerWaalsContact O-N 3.15Å; L183-V187 WeakPolarHBondContact O-CG2 3.15Å; L183-V187 PolarHBondContact O-N 2.78Å
184A79.3Confident73.4Confident6 Ų652.1 Ų52.15%0.0529%0.288CS..Hα-helixtrans-58.8-42.5176.600000113.5Y180 L181 Q188 L231Y180-A184 PolarHBondContact O-N 3.06Å; Y180-A184 VanDerWaalsContact O-N 3.1Å; L181-A184 PolarHBondContact O-N 3.2Å; A184-Q188 PolarHBondContact O-N 2.97Å; A184-L231 HydrophobicContact CB-CB 4.19Å; A184-L231 HydrophobicContact CB-CD1 4.18Å
185H81.9Confident75.2Confident56 Ų5653.7 Ų53.726%0.25928%0.282SS..Hα-helixtrans-66.8-41.5173.3-77.796.4000112.6L181 F182 L183 Q188 K189 E239L181-H185 PolarHBondContact O-N 2.76Å; L181-H185 PolarHBondContact O-ND1 2.91Å; F182-H185 PolarHBondContact O-N 3.18Å; L183-H185 PolarHBondContact O-N 3.42Å; H185-Q188 PolarHBondContact O-N 3.03Å; H185-K189 WeakPolarHBondContact O-CG 3.34Å; H185-K189 PolarHBondContact O-N 2.97Å; H185-E239 IonicContact CE1-OE1 2.69Å
186S85.9Confident77.3Confident3 Ų350.6 Ų50.62%0.02126%0.258CS..Hα-helixtrans-64.3-43.5179.5-60.10000111.8F182 L183 Q188 K189 M190F182-S186 WeakPolarHBondContact CE1-OG 3.31Å; F182-S186 WeakPolarHBondContact O-CB 3.02Å; F182-S186 PolarHBondContact O-N 2.91Å; F182-S186 PolarHBondContact O-OG 2.68Å; L183-S186 PolarHBondContact O-N 3.4Å; L183-S186 VanDerWaalsContact O-N 3.15Å; S186-Q188 PolarHBondContact O-N 3.4Å; S186-K189 PolarHBondContact O-N 3.25Å; S186-M190 VanDerWaalsContact O-CB 3.32Å; S186-M190 WeakPolarHBondContact O-CB 3.48Å; S186-M190 VanDerWaalsContact O-CG 3.24Å; S186-M190 WeakPolarHBondContact O-CG 3.39Å; S186-M190 PolarHBondContact O-N 2.92Å
187V89.7Confident79.3Confident0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-53-51.6173.8165.80000111.1I149 L183 K189 M190 A191 F224 L227 L231I149-V187 HydrophobicContact CD1-CG2 3.63Å; L183-V187 WeakPolarHBondContact O-CG2 3.15Å; L183-V187 PolarHBondContact O-N 2.78Å; V187-K189 PolarHBondContact O-N 3.29Å; V187-M190 PolarHBondContact O-N 3.06Å; V187-A191 WeakPolarHBondContact O-CB 3.4Å; V187-A191 PolarHBondContact O-N 2.84Å; V187-F224 HydrophobicContact CB-CD1 4.47Å; V187-F224 HydrophobicContact CG1-CD1 4.3Å; V187-F224 HydrophobicContact CG2-CD1 4.34Å; V187-F224 HydrophobicContact CG2-CE1 4.17Å; V187-L227 HydrophobicContact CG1-CB 3.59Å; V187-L227 HydrophobicContact CG2-CB 4.41Å; V187-L231 HydrophobicContact CB-CD1 4.3Å; V187-L231 HydrophobicContact CG1-CD1 4.36Å; V187-L231 HydrophobicContact CG2-CD1 4.1Å
188Q87.4Confident81.3Confident64 Ų6442.4 Ų42.430%0.29922%0.216SC..Hα-helixtrans-61.7-47-176.9-168.3-168.728.800111.3A184 H185 S186 A191 A192 E232 R235A184-Q188 PolarHBondContact O-N 2.97Å; H185-Q188 PolarHBondContact O-N 3.03Å; S186-Q188 PolarHBondContact O-N 3.4Å; Q188-A191 PolarHBondContact O-N 3.05Å; Q188-A192 PolarHBondContact O-N 3.41Å; Q188-E232 PolarHBondContact NE2-OE1 2.86Å; Q188-E232 VanDerWaalsContact NE2-OE1 3.16Å; Q188-R235 VanDerWaalsContact NE2-NH1 3.12Å
189K88.8Confident83.2Confident61 Ų6141.2 Ų41.227%0.26520%0.201SC..Hα-helixtrans-66.1-42.3179.5-65.5-179.8-176.7-176.60112.1E168 V169 A171 H185 S186 V187 A192 R193E168-K189 WeakPolarHBondContact O-CD 3.15Å; E168-K189 PolarHBondContact O-NZ 2.95Å; V169-K189 HydrophobicContact CG2-CB 4.13Å; V169-K189 WeakPolarHBondContact O-CD 3.48Å; V169-K189 PolarHBondContact O-NZ 2.81Å; A171-K189 PolarHBondContact O-NZ 2.91Å; H185-K189 WeakPolarHBondContact O-CG 3.34Å; H185-K189 PolarHBondContact O-N 2.97Å; S186-K189 PolarHBondContact O-N 3.25Å; V187-K189 PolarHBondContact O-N 3.29Å; K189-A192 PolarHBondContact O-N 2.75Å; K189-R193 WeakPolarHBondContact O-CB 3.36Å; K189-R193 PolarHBondContact O-N 2.91Å
190M90.8Very high84.2Confident0 Ų037.3 Ų37.30%018%0.182CC..Hα-helixtrans-64.8-41.2175.6-70.4175.267.100111.8L148 I149 V152 V169 S186 V187 A192 R193 W194 L197 F224L148-M190 HydrophobicContact CG-CE 4.49Å; I149-M190 HydrophobicContact CG1-CE 4.47Å; I149-M190 HydrophobicContact CG1-SD 3.8Å; V152-M190 HydrophobicContact CB-CE 4.5Å; V152-M190 HydrophobicContact CG1-CE 4.34Å; V152-M190 HydrophobicContact CG2-CE 4.33Å; V169-M190 HydrophobicContact CG1-CG 3.77Å; V169-M190 HydrophobicContact CG1-SD 4.44Å; V169-M190 HydrophobicContact CG2-CG 4.2Å; S186-M190 VanDerWaalsContact O-CB 3.32Å; S186-M190 WeakPolarHBondContact O-CB 3.48Å; S186-M190 VanDerWaalsContact O-CG 3.24Å; S186-M190 WeakPolarHBondContact O-CG 3.39Å; S186-M190 PolarHBondContact O-N 2.92Å; V187-M190 PolarHBondContact O-N 3.06Å; M190-A192 PolarHBondContact O-N 2.86Å; M190-R193 CarbonylContact O-C 3.3Å; M190-R193 PolarHBondContact O-N 2.91Å; M190-W194 VanDerWaalsContact O-CA 3.31Å; M190-W194 WeakPolarHBondContact O-CA 3.43Å; M190-W194 PolarHBondContact O-N 2.95Å; M190-L197 HydrophobicContact CB-CD1 3.93Å; M190-L197 HydrophobicContact CG-CD1 3.78Å; M190-F224 HydrophobicContact CB-CD1 4.14Å; M190-F224 HydrophobicContact CB-CE1 4.12Å; M190-F224 HydrophobicContact CE-CE1 3.87Å; M190-F224 HydrophobicContact CE-CZ 4.1Å; M190-F224 HydrophobicContact SD-CE1 3.97Å
191A90.6Very high85.2Confident6 Ų634.9 Ų34.95%0.0517%0.172CC..Hα-helixtrans-69.9-15.6175.500000113.8V187 Q188 F224 R301V187-A191 WeakPolarHBondContact O-CB 3.4Å; V187-A191 PolarHBondContact O-N 2.84Å; Q188-A191 PolarHBondContact O-N 3.05Å; A191-F224 HydrophobicContact CB-CB 4.37Å; A191-R301 PolarHBondContact O-NH2 3.28Å
192A88.9Confident86.2Confident76 Ų7638 Ų3863%0.62819%0.185SC*.Hα-helixtrans-89-42.2169.900000111.9Q188 K189 M190Q188-A192 PolarHBondContact O-N 3.41Å; K189-A192 PolarHBondContact O-N 2.75Å; M190-A192 PolarHBondContact O-N 2.86Å
193R88.9Confident86.6Confident86 Ų8640.9 Ų40.933%0.32521%0.209SC..SBendtrans-92.818.6-177.4-68.1-71.6-173.8-168.11.2114.2E168 K189 M190 Q195 D196 L197E168-R193 VanDerWaalsContact CD-NH2 3.32Å; E168-R193 IonicContact OE1-CZ 3.25Å; E168-R193 IonicContact OE1-NH2 3.71Å; E168-R193 PolarHBondContact OE1-NH2 3.05Å; E168-R193 VanDerWaalsContact OE1-NH2 3.14Å; E168-R193 IonicContact OE2-CZ 2.69Å; E168-R193 IonicContact OE2-NE 3.77Å; E168-R193 PolarHBondContact OE2-NE 3.21Å; E168-R193 IonicContact OE2-NH2 3.58Å; E168-R193 PolarHBondContact OE2-NH2 3.21Å; K189-R193 WeakPolarHBondContact O-CB 3.36Å; K189-R193 PolarHBondContact O-N 2.91Å; M190-R193 CarbonylContact O-C 3.3Å; M190-R193 PolarHBondContact O-N 2.91Å; R193-Q195 PolarHBondContact O-N 2.8Å; R193-D196 WeakPolarHBondContact CD-OD2 3.49Å; R193-D196 IonicContact CZ-OD2 3.65Å; R193-D196 IonicContact NE-OD2 3.95Å; R193-D196 IonicContact NH1-OD2 3.76Å; R193-D196 PolarHBondContact NH1-OD2 3.08Å; R193-D196 WeakPolarHBondContact O-CB 3.08Å; R193-D196 PolarHBondContact O-N 2.83Å; R193-D196 VanDerWaalsContact O-N 3.11Å; R193-L197 HydrophobicContact CB-CD1 4.44Å; R193-L197 HydrophobicContact CB-CG 4.43Å; R193-L197 WeakPolarHBondContact O-CG 3.41Å; R193-L197 PolarHBondContact O-N 2.66Å
194W90.6Very high86.7Confident10 Ų1042.2 Ų42.24%0.03822%0.216CC..Hα-helixtrans-56.6-43.3-166.9-166.1-86.2000114.2M190 L197 R198 L215 V220 R221 F224M190-W194 VanDerWaalsContact O-CA 3.31Å; M190-W194 WeakPolarHBondContact O-CA 3.43Å; M190-W194 PolarHBondContact O-N 2.95Å; W194-L197 PolarHBondContact O-N 3.45Å; W194-R198 VanDerWaalsContact O-CB 3.28Å; W194-R198 WeakPolarHBondContact O-CB 3.44Å; W194-R198 PolarHBondContact O-N 3.1Å; W194-L215 HydrophobicContact CH2-CD2 3.75Å; W194-L215 HydrophobicContact CZ2-CD2 3.82Å; W194-L215 HydrophobicContact CZ3-CD2 4.12Å; W194-L215 PolarHBondContact NE1-O 3.27Å; W194-V220 HydrophobicContact CH2-CG1 4.16Å; W194-R221 HydrophobicContact CD2-CB 4.41Å; W194-R221 HydrophobicContact CD2-CG 3.96Å; W194-R221 HydrophobicContact CG-CG 4.09Å; W194-R221 HydrophobicContact CH2-CB 4.47Å; W194-R221 HydrophobicContact CZ2-CB 3.73Å; W194-R221 HydrophobicContact CZ2-CG 4.2Å; W194-F224 HydrophobicContact CE3-CB 4.22Å; W194-F224 HydrophobicContact CE3-CG 4.4Å; W194-F224 HydrophobicContact CH2-CB 4.29Å; W194-F224 AromaticContact CH2-CD2 3.9Å; W194-F224 HydrophobicContact CH2-CD2 3.9Å; W194-F224 HydrophobicContact CH2-CE2 4.41Å; W194-F224 HydrophobicContact CH2-CG 4.07Å; W194-F224 HydrophobicContact CZ3-CB 3.63Å; W194-F224 AromaticContact CZ3-CD1 3.85Å; W194-F224 HydrophobicContact CZ3-CD1 3.85Å; W194-F224 AromaticContact CZ3-CD2 3.77Å; W194-F224 HydrophobicContact CZ3-CD2 3.77Å; W194-F224 HydrophobicContact CZ3-CE1 4.43Å; W194-F224 HydrophobicContact CZ3-CE2 4.37Å; W194-F224 AromaticContact CZ3-CG 3.47Å; W194-F224 HydrophobicContact CZ3-CG 3.47Å; W194-F224 VanDerWaalsContact CZ3-CG 3.47Å
195Q89.3Confident86.1Confident84 Ų8448.5 Ų48.539%0.39325%0.248SC..Hα-helixtrans-69.5-42178.8-60.3-71.931.400111.5R193 L197 R198 E199R193-Q195 PolarHBondContact O-N 2.8Å; Q195-L197 VanDerWaalsContact C-N 3.27Å; Q195-L197 PolarHBondContact O-N 3.46Å; Q195-R198 WeakPolarHBondContact O-CB 3.45Å; Q195-R198 PolarHBondContact O-N 2.96Å; Q195-R198 VanDerWaalsContact O-N 3.12Å; Q195-E199 WeakPolarHBondContact O-CG 3.43Å; Q195-E199 PolarHBondContact O-N 2.81Å
196D87.3Confident85.3Confident58 Ų5853.8 Ų53.831%0.3127%0.273SS..Hα-helixtrans-58.8-39.7176.7-51.92.7000111.7S165 R193 Y200S165-D196 WeakPolarHBondContact OG-CB 3.2Å; S165-D196 PolarHBondContact OG-OD2 3.04Å; R193-D196 WeakPolarHBondContact CD-OD2 3.49Å; R193-D196 IonicContact CZ-OD2 3.65Å; R193-D196 IonicContact NE-OD2 3.95Å; R193-D196 IonicContact NH1-OD2 3.76Å; R193-D196 PolarHBondContact NH1-OD2 3.08Å; R193-D196 WeakPolarHBondContact O-CB 3.08Å; R193-D196 PolarHBondContact O-N 2.83Å; R193-D196 VanDerWaalsContact O-N 3.11Å; D196-Y200 VanDerWaalsContact O-CB 3.28Å; D196-Y200 WeakPolarHBondContact O-CB 3.37Å; D196-Y200 PolarHBondContact O-N 3.03Å; D196-Y200 VanDerWaalsContact O-N 3.09Å
197L87.4Confident84Confident1 Ų158.2 Ų58.21%0.00531%0.31CS..Hα-helixtrans-69.1-43174.4-66.2171.1000111.5L166 V169 M190 R193 W194 Q195 Y200 F201 L215L166-L197 HydrophobicContact CB-CD2 4.47Å; L166-L197 HydrophobicContact CD1-CD2 3.63Å; V169-L197 HydrophobicContact CG2-CD1 4.34Å; V169-L197 HydrophobicContact CG2-CD2 4.45Å; M190-L197 HydrophobicContact CB-CD1 3.93Å; M190-L197 HydrophobicContact CG-CD1 3.78Å; R193-L197 HydrophobicContact CB-CD1 4.44Å; R193-L197 HydrophobicContact CB-CG 4.43Å; R193-L197 WeakPolarHBondContact O-CG 3.41Å; R193-L197 PolarHBondContact O-N 2.66Å; W194-L197 PolarHBondContact O-N 3.45Å; Q195-L197 VanDerWaalsContact C-N 3.27Å; Q195-L197 PolarHBondContact O-N 3.46Å; L197-Y200 PolarHBondContact O-N 3.36Å; L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 2.87Å; L197-L215 HydrophobicContact CB-CD1 4.34Å
198R87.9Confident83.2Confident55 Ų5559.9 Ų59.921%0.20832%0.318CS..Hα-helixtrans-60.7-47.5178.2-170.5-171.6-164.3-150.47.5111.9W194 Q195 K202 L216W194-R198 VanDerWaalsContact O-CB 3.28Å; W194-R198 WeakPolarHBondContact O-CB 3.44Å; W194-R198 PolarHBondContact O-N 3.1Å; Q195-R198 WeakPolarHBondContact O-CB 3.45Å; Q195-R198 PolarHBondContact O-N 2.96Å; Q195-R198 VanDerWaalsContact O-N 3.12Å; R198-K202 WeakPolarHBondContact O-CB 3.48Å; R198-K202 WeakPolarHBondContact O-CD 3.34Å; R198-K202 VanDerWaalsContact O-CG 3.23Å; R198-K202 WeakPolarHBondContact O-CG 3.34Å; R198-K202 PolarHBondContact O-N 2.67Å; R198-L216 HydrophobicContact CG-CD2 3.98Å
199E87.3Confident82.6Confident90 Ų9058.7 Ų58.742%0.42132%0.319SS..Hα-helixtrans-69.9-35.2177.6-57.4-42.9124.500112.1Q195 K202 S203Q195-E199 WeakPolarHBondContact O-CG 3.43Å; Q195-E199 PolarHBondContact O-N 2.81Å; E199-K202 IonicContact OE1-NZ 3.93Å; E199-K202 PolarHBondContact OE1-NZ 3.09Å; E199-K202 WeakPolarHBondContact OE2-CD 3.4Å; E199-K202 IonicContact OE2-NZ 3.85Å; E199-K202 PolarHBondContact OE2-NZ 2.92Å; E199-S203 PolarHBondContact O-N 3.38Å
200Y86.8Confident82.3Confident21 Ų2159.1 Ų59.18%0.08233%0.33CS..Hα-helixtrans-60.5-56.2172.2176.1-112.8000111.9H155 N163 L166 D196 L197 K202 S203 L204H155-Y200 AromaticContact CD2-CE1 3.99Å; H155-Y200 AromaticContact NE2-CE1 3.74Å; H155-Y200 AromaticContact NE2-CZ 3.8Å; H155-Y200 PolarHBondContact NE2-OH 2.8Å; N163-Y200 HydrophobicContact CB-CD2 3.93Å; N163-Y200 HydrophobicContact CB-CE2 4.1Å; L166-Y200 HydrophobicContact CD2-CE1 4.06Å; D196-Y200 VanDerWaalsContact O-CB 3.28Å; D196-Y200 WeakPolarHBondContact O-CB 3.37Å; D196-Y200 PolarHBondContact O-N 3.03Å; D196-Y200 VanDerWaalsContact O-N 3.09Å; L197-Y200 PolarHBondContact O-N 3.36Å; Y200-K202 VanDerWaalsContact C-N 3.29Å; Y200-K202 PolarHBondContact O-N 2.85Å; Y200-S203 PolarHBondContact O-N 3.06Å; Y200-S203 PolarHBondContact O-OG 3.45Å; Y200-L204 HydrophobicContact CD1-CD1 4.47Å; Y200-L204 HydrophobicContact CE1-CD1 3.94Å; Y200-L204 HydrophobicContact CE2-CD2 4.37Å
201F86.2Confident82.1Confident1 Ų159.8 Ų59.80%0.00433%0.333CS..Hα-helixtrans-70.8-22-178.4-77.8-76.3000113.2V152 H155 L166 L197 S203 L204 E208 I211 R212 L215V152-F201 HydrophobicContact CG1-CE2 4.21Å; V152-F201 HydrophobicContact CG1-CZ 4.3Å; V152-F201 HydrophobicContact CG2-CE2 4.29Å; V152-F201 HydrophobicContact CG2-CZ 4.29Å; H155-F201 HydrophobicContact CB-CE1 4.46Å; H155-F201 HydrophobicContact CB-CZ 4.45Å; H155-F201 AromaticContact CD2-CE1 3.58Å; H155-F201 AromaticContact CD2-CZ 3.62Å; H155-F201 AromaticContact CG-CE1 3.93Å; H155-F201 AromaticContact NE2-CE1 3.96Å; L166-F201 HydrophobicContact CD1-CE2 4.41Å; L197-F201 WeakPolarHBondContact O-CD2 3.29Å; L197-F201 PolarHBondContact O-N 2.87Å; F201-S203 VanDerWaalsContact C-N 3.34Å; F201-L204 HydrophobicContact CD1-CD1 3.74Å; F201-L204 HydrophobicContact CE1-CD1 4.02Å; F201-E208 HydrophobicContact CD1-CB 4.05Å; F201-E208 HydrophobicContact CD1-CG 4.47Å; F201-E208 HydrophobicContact CE1-CB 4.33Å; F201-E208 HydrophobicContact CE1-CG 4.36Å; F201-I211 HydrophobicContact CD1-CB 4.09Å; F201-I211 HydrophobicContact CD1-CG2 3.59Å; F201-I211 HydrophobicContact CD2-CG2 3.94Å; F201-I211 HydrophobicContact CE1-CB 4.19Å; F201-I211 HydrophobicContact CE1-CD1 3.93Å; F201-I211 HydrophobicContact CE1-CG2 3.63Å; F201-I211 HydrophobicContact CE2-CG2 3.95Å; F201-I211 HydrophobicContact CG-CG2 3.77Å; F201-I211 HydrophobicContact CZ-CD1 4.38Å; F201-I211 HydrophobicContact CZ-CG2 3.81Å; F201-R212 HydrophobicContact CB-CB 4.5Å; F201-R212 WeakPolarHBondContact O-CD 3.35Å; F201-L215 HydrophobicContact CB-CD1 4.04Å; F201-L215 HydrophobicContact CD2-CD1 3.3Å; F201-L215 HydrophobicContact CE2-CD1 4Å; F201-L215 HydrophobicContact CG-CD1 3.88Å
202K84.6Confident81.9Confident83 Ų8362.4 Ų62.436%0.36134%0.342SS..Hα-helixtrans-60.5-40.1164.2-85.2165.3160.5-177.50112.9R198 E199 Y200 L204 L216R198-K202 WeakPolarHBondContact O-CB 3.48Å; R198-K202 WeakPolarHBondContact O-CD 3.34Å; R198-K202 VanDerWaalsContact O-CG 3.23Å; R198-K202 WeakPolarHBondContact O-CG 3.34Å; R198-K202 PolarHBondContact O-N 2.67Å; E199-K202 IonicContact OE1-NZ 3.93Å; E199-K202 PolarHBondContact OE1-NZ 3.09Å; E199-K202 WeakPolarHBondContact OE2-CD 3.4Å; E199-K202 IonicContact OE2-NZ 3.85Å; E199-K202 PolarHBondContact OE2-NZ 2.92Å; Y200-K202 VanDerWaalsContact C-N 3.29Å; Y200-K202 PolarHBondContact O-N 2.85Å; K202-L204 VanDerWaalsContact C-N 3.28Å; K202-L204 PolarHBondContact O-N 3.21Å; K202-L216 HydrophobicContact CD-CD2 4.39Å; K202-L216 HydrophobicContact CG-CD2 4.13Å
203S81.6Confident81.8Confident89 Ų8962.1 Ų62.162%0.62234%0.335SS*.THydrogen-bonded Turntrans-78-5.2-174.473.70000115.4E199 Y200 F201E199-S203 PolarHBondContact O-N 3.38Å; Y200-S203 PolarHBondContact O-N 3.06Å; Y200-S203 PolarHBondContact O-OG 3.45Å; F201-S203 VanDerWaalsContact C-N 3.34Å
204L79.3Confident81.8Confident37 Ų3760.3 Ų60.319%0.19433%0.328CS..SBendtrans-90.5166.8179.7-61177.6000112.2Y200 F201 K202 E208 R212Y200-L204 HydrophobicContact CD1-CD1 4.47Å; Y200-L204 HydrophobicContact CE1-CD1 3.94Å; Y200-L204 HydrophobicContact CE2-CD2 4.37Å; F201-L204 HydrophobicContact CD1-CD1 3.74Å; F201-L204 HydrophobicContact CE1-CD1 4.02Å; K202-L204 VanDerWaalsContact C-N 3.28Å; K202-L204 PolarHBondContact O-N 3.21Å; L204-E208 HydrophobicContact CD1-CB 4.4Å; L204-E208 HydrophobicContact CD1-CG 3.93Å; L204-R212 PolarHBondContact O-NH1 3.46Å
205N66.6Low81.7Confident137 Ų13759.9 Ų59.973%0.73333%0.327SS*.  trans-78-160.4-176.4-72.5-18.5000111.6A207 R212N205-A207 VanDerWaalsContact C-N 3.34Å; N205-R212 PolarHBondContact O-NH1 3.49Å
206E65.1Low81.5Confident167 Ų16759.1 Ų59.178%0.7833%0.325SS*.SBendtrans-76.3-16.8-175.7-62-164.3135.400114.6E208 A209E206-E208 VanDerWaalsContact C-N 3.31Å; E206-E208 PolarHBondContact O-N 2.9Å; E206-A209 WeakPolarHBondContact O-CB 3.36Å; E206-A209 PolarHBondContact O-N 2.86Å; E206-A209 VanDerWaalsContact O-N 3.14Å
207A58.3Low81.6Confident96 Ų9660 Ų6079%0.79333%0.33SS*.THydrogen-bonded Turntrans-60-38.9-176.900000112.7N205N205-A207 VanDerWaalsContact C-N 3.34Å
208E73.1Confident81.6Confident35 Ų3561.9 Ų61.916%0.16434%0.34CS..THydrogen-bonded Turntrans-93.314.1-179.4-52.984.8168.600113.3H155 F201 L204 E206 S210 I211 R212H155-E208 IonicContact CE1-OE1 2.75Å; H155-E208 PolarHBondContact CE1-OE1 3.35Å; H155-E208 VanDerWaalsContact CE1-OE1 3.22Å; H155-E208 IonicContact ND1-OE1 3.67Å; F201-E208 HydrophobicContact CD1-CB 4.05Å; F201-E208 HydrophobicContact CD1-CG 4.47Å; F201-E208 HydrophobicContact CE1-CB 4.33Å; F201-E208 HydrophobicContact CE1-CG 4.36Å; L204-E208 HydrophobicContact CD1-CB 4.4Å; L204-E208 HydrophobicContact CD1-CG 3.93Å; E206-E208 VanDerWaalsContact C-N 3.31Å; E206-E208 PolarHBondContact O-N 2.9Å; E208-S210 PolarHBondContact O-N 3.46Å; E208-I211 PolarHBondContact O-N 3.17Å; E208-R212 PolarHBondContact O-N 3.43Å
209A74.8Confident81.6Confident39 Ų3960.3 Ų60.332%0.32234%0.339SS..Hα-helixtrans-55.2-31.7-172.600000114.3E206 S213E206-A209 WeakPolarHBondContact O-CB 3.36Å; E206-A209 PolarHBondContact O-N 2.86Å; E206-A209 VanDerWaalsContact O-N 3.14Å; A209-S213 PolarHBondContact O-N 2.83Å; A209-S213 PolarHBondContact O-OG 3.48Å
210S82.8Confident81.8Confident71 Ų7156.9 Ų56.950%0.49732%0.324SS..Hα-helixtrans-69.5-31.7175.5176.70000113.8E208 S213 R214E208-S210 PolarHBondContact O-N 3.46Å; S210-S213 PolarHBondContact O-OG 3.18Å; S210-R214 PolarHBondContact O-NE 2.71Å; S210-R214 PolarHBondContact O-NH2 3.02Å; S210-R214 PolarHBondContact OG-NH2 3.49Å
211I86.4Confident82.1Confident14 Ų1458.1 Ų58.17%0.07233%0.328CS..Hα-helixtrans-77.5-44.6173.6-63169.8000108.9L148 D151 V152 H155 F201 E208 S213 R214 L215L148-I211 HydrophobicContact CD1-CG2 4.19Å; D151-I211 HydrophobicContact CB-CD1 4.01Å; D151-I211 HydrophobicContact CB-CG1 3.92Å; V152-I211 HydrophobicContact CG2-CD1 4.39Å; V152-I211 HydrophobicContact CG2-CG1 4.47Å; V152-I211 HydrophobicContact CG2-CG2 3.56Å; H155-I211 HydrophobicContact CB-CD1 4.27Å; F201-I211 HydrophobicContact CD1-CB 4.09Å; F201-I211 HydrophobicContact CD1-CG2 3.59Å; F201-I211 HydrophobicContact CD2-CG2 3.94Å; F201-I211 HydrophobicContact CE1-CB 4.19Å; F201-I211 HydrophobicContact CE1-CD1 3.93Å; F201-I211 HydrophobicContact CE1-CG2 3.63Å; F201-I211 HydrophobicContact CE2-CG2 3.95Å; F201-I211 HydrophobicContact CG-CG2 3.77Å; F201-I211 HydrophobicContact CZ-CD1 4.38Å; F201-I211 HydrophobicContact CZ-CG2 3.81Å; E208-I211 PolarHBondContact O-N 3.17Å; I211-S213 PolarHBondContact O-N 2.99Å; I211-R214 PolarHBondContact O-N 3.35Å; I211-L215 HydrophobicContact CG2-CD1 3.8Å; I211-L215 HydrophobicContact CG2-CG 4.34Å; I211-L215 PolarHBondContact O-N 3.37Å
212R86.4Confident82.3Confident61 Ų6158.2 Ų58.223%0.2333%0.329CS..Hα-helixtrans-56.1-46.2177.7177.6170.260.9-147.8-1.8112.1F201 L204 N205 E208 L215 L216F201-R212 HydrophobicContact CB-CB 4.5Å; F201-R212 WeakPolarHBondContact O-CD 3.35Å; L204-R212 PolarHBondContact O-NH1 3.46Å; N205-R212 PolarHBondContact O-NH1 3.49Å; E208-R212 PolarHBondContact O-N 3.43Å; R212-L215 PolarHBondContact O-N 3.06Å; R212-L216 HydrophobicContact CG-CD1 3.87Å; R212-L216 HydrophobicContact CG-CG 4.48Å; R212-L216 WeakPolarHBondContact O-CB 3.44Å; R212-L216 WeakPolarHBondContact O-CG 3.33Å; R212-L216 PolarHBondContact O-N 2.82Å; R212-L216 VanDerWaalsContact O-N 3.12Å
213S86.1Confident82.8Confident69 Ų6955.5 Ų55.548%0.48332%0.317SS..Hα-helixtrans-61.9-45.8179.259.10000112.5A209 S210 I211 L215 L216 D217A209-S213 PolarHBondContact O-N 2.83Å; A209-S213 PolarHBondContact O-OG 3.48Å; S210-S213 PolarHBondContact O-OG 3.18Å; I211-S213 PolarHBondContact O-N 2.99Å; S213-L215 PolarHBondContact O-N 2.79Å; S213-L216 PolarHBondContact O-N 3.47Å; S213-D217 PolarHBondContact O-N 3.11Å
214R89.1Confident83.4Confident48 Ų4851.3 Ų51.318%0.18129%0.288CS..Hα-helixtrans-66.3-34.4178.5-77.6176.5-74.6167.4-3113.8L148 D151 S210 I211 L216 V220L148-R214 HydrophobicContact CD1-CB 3.91Å; L148-R214 HydrophobicContact CD2-CB 4.16Å; D151-R214 IonicContact OD2-CZ 2.68Å; D151-R214 IonicContact OD2-NH1 2.78Å; D151-R214 PolarHBondContact OD2-NH1 3.4Å; D151-R214 IonicContact OD2-NH2 3.33Å; D151-R214 PolarHBondContact OD2-NH2 2.98Å; S210-R214 PolarHBondContact O-NE 2.71Å; S210-R214 PolarHBondContact O-NH2 3.02Å; S210-R214 PolarHBondContact OG-NH2 3.49Å; I211-R214 PolarHBondContact O-N 3.35Å; R214-L216 VanDerWaalsContact C-N 3.33Å; R214-V220 WeakPolarHBondContact O-CB 2.85Å
215L88.5Confident84.1Confident2 Ų250.2 Ų50.21%0.0128%0.282CS..Hα-helixtrans-77.9-16.6175.4-69.5175.4000113.9L148 W194 L197 F201 I211 R212 S213L148-L215 HydrophobicContact CD2-CD2 4.14Å; W194-L215 HydrophobicContact CH2-CD2 3.75Å; W194-L215 HydrophobicContact CZ2-CD2 3.82Å; W194-L215 HydrophobicContact CZ3-CD2 4.12Å; W194-L215 PolarHBondContact NE1-O 3.27Å; L197-L215 HydrophobicContact CB-CD1 4.34Å; F201-L215 HydrophobicContact CB-CD1 4.04Å; F201-L215 HydrophobicContact CD2-CD1 3.3Å; F201-L215 HydrophobicContact CE2-CD1 4Å; F201-L215 HydrophobicContact CG-CD1 3.88Å; I211-L215 HydrophobicContact CG2-CD1 3.8Å; I211-L215 HydrophobicContact CG2-CG 4.34Å; I211-L215 PolarHBondContact O-N 3.37Å; R212-L215 PolarHBondContact O-N 3.06Å; S213-L215 PolarHBondContact O-N 2.79Å
216L86.7Confident85.4Confident68 Ų6843.7 Ų43.736%0.35625%0.247SC..Hα-helixtrans-84.8-19.6172.7-72.1172.5000113.1R198 K202 R212 S213 R214R198-L216 HydrophobicContact CG-CD2 3.98Å; K202-L216 HydrophobicContact CD-CD2 4.39Å; K202-L216 HydrophobicContact CG-CD2 4.13Å; R212-L216 HydrophobicContact CG-CD1 3.87Å; R212-L216 HydrophobicContact CG-CG 4.48Å; R212-L216 WeakPolarHBondContact O-CB 3.44Å; R212-L216 WeakPolarHBondContact O-CG 3.33Å; R212-L216 PolarHBondContact O-N 2.82Å; R212-L216 VanDerWaalsContact O-N 3.12Å; S213-L216 PolarHBondContact O-N 3.47Å; R214-L216 VanDerWaalsContact C-N 3.33Å
217D88.6Confident86.8Confident77 Ų7735.8 Ų35.841%0.41221%0.21SC..  trans-79.2114.3179.1-173.3-6.3000111.7S213 A219 V220 R221S213-D217 PolarHBondContact O-N 3.11Å; D217-A219 PolarHBondContact O-N 2.77Å; D217-A219 VanDerWaalsContact OD1-CB 3.25Å; D217-A219 WeakPolarHBondContact OD1-CB 2.98Å; D217-A219 PolarHBondContact OD1-N 2.98Å; D217-V220 HydrophobicContact CB-CB 4.34Å; D217-V220 HydrophobicContact CB-CG2 3.91Å; D217-V220 PolarHBondContact O-N 3.09Å; D217-R221 PolarHBondContact O-N 3.05Å; D217-R221 VanDerWaalsContact O-N 3.11Å
218D87.8Confident88.5Confident40 Ų4031.5 Ų31.521%0.21418%0.175CC..Hα-helixtrans-68.5-17.3177.9-79.8-56.5000112.8R221 L222 F305 L313D218-R221 WeakPolarHBondContact O-CB 3.27Å; D218-R221 WeakPolarHBondContact OD1-CD 3.5Å; D218-R221 IonicContact OD1-NH1 3.88Å; D218-R221 PolarHBondContact OD1-NH1 3.3Å; D218-R221 VanDerWaalsContact OD1-NH1 3.16Å; D218-L222 PolarHBondContact O-N 2.74Å; D218-F305 HydrophobicContact CB-CE1 4.16Å; D218-F305 HydrophobicContact CB-CZ 3.82Å; D218-F305 WeakPolarHBondContact O-CE1 3.49Å; D218-F305 WeakPolarHBondContact OD1-CZ 3.29Å; D218-L313 HydrophobicContact CB-CD2 4.18Å
219A88.6Confident89.4Confident22 Ų2233 Ų3318%0.18218%0.181CC..Hα-helixtrans-69.7-42.6169.600000111.3D217 R221 L222 Q223 L313D217-A219 PolarHBondContact O-N 2.77Å; D217-A219 VanDerWaalsContact OD1-CB 3.25Å; D217-A219 WeakPolarHBondContact OD1-CB 2.98Å; D217-A219 PolarHBondContact OD1-N 2.98Å; A219-R221 VanDerWaalsContact C-N 3.29Å; A219-R221 PolarHBondContact O-N 2.97Å; A219-L222 WeakPolarHBondContact O-CB 3.41Å; A219-L222 PolarHBondContact O-N 2.69Å; A219-Q223 WeakPolarHBondContact O-CG 3.4Å; A219-Q223 PolarHBondContact O-N 3.44Å; A219-Q223 VanDerWaalsContact O-N 3.12Å; A219-L313 HydrophobicContact CB-CD2 3.98Å
220V90.9Very high90.2Very high17 Ų1731.2 Ų31.210%0.10317%0.167CC..Hα-helixtrans-65.3-36.8174.4-175.90000110.7L148 W194 R214 D217 L222 Q223 F224L148-V220 HydrophobicContact CD2-CG1 3.88Å; W194-V220 HydrophobicContact CH2-CG1 4.16Å; R214-V220 WeakPolarHBondContact O-CB 2.85Å; D217-V220 HydrophobicContact CB-CB 4.34Å; D217-V220 HydrophobicContact CB-CG2 3.91Å; D217-V220 PolarHBondContact O-N 3.09Å; V220-L222 PolarHBondContact O-N 2.91Å; V220-Q223 WeakPolarHBondContact O-CB 3.49Å; V220-Q223 PolarHBondContact O-N 2.9Å; V220-F224 HydrophobicContact CG1-CD2 4.22Å; V220-F224 HydrophobicContact CG1-CE2 4.2Å; V220-F224 WeakPolarHBondContact O-CD2 3.49Å; V220-F224 PolarHBondContact O-N 2.98Å; V220-F224 VanDerWaalsContact O-N 3.11Å
221R91.7Very high90.7Very high47 Ų4728 Ų2818%0.17714%0.144CC..Hα-helixtrans-60.4-43.4172.3-171.9178.9179.2-164.2-3.2112.8W194 D217 D218 A219 Q223 F224 L225 F305W194-R221 HydrophobicContact CD2-CB 4.41Å; W194-R221 HydrophobicContact CD2-CG 3.96Å; W194-R221 HydrophobicContact CG-CG 4.09Å; W194-R221 HydrophobicContact CH2-CB 4.47Å; W194-R221 HydrophobicContact CZ2-CB 3.73Å; W194-R221 HydrophobicContact CZ2-CG 4.2Å; D217-R221 PolarHBondContact O-N 3.05Å; D217-R221 VanDerWaalsContact O-N 3.11Å; D218-R221 WeakPolarHBondContact O-CB 3.27Å; D218-R221 WeakPolarHBondContact OD1-CD 3.5Å; D218-R221 IonicContact OD1-NH1 3.88Å; D218-R221 PolarHBondContact OD1-NH1 3.3Å; D218-R221 VanDerWaalsContact OD1-NH1 3.16Å; A219-R221 VanDerWaalsContact C-N 3.29Å; A219-R221 PolarHBondContact O-N 2.97Å; R221-Q223 VanDerWaalsContact C-N 3.32Å; R221-Q223 PolarHBondContact O-N 2.65Å; R221-F224 PolarHBondContact O-N 3.26Å; R221-L225 HydrophobicContact CG-CD1 4.46Å; R221-L225 WeakPolarHBondContact O-CG 3.37Å; R221-L225 PolarHBondContact O-N 2.75Å; R221-F305 HydrophobicContact CG-CZ 4.36Å
222L92.1Very high90.8Very high4 Ų430.4 Ų30.42%0.02116%0.155CC..Hα-helixtrans-60.1-40.9175.1174.957.1000111.8D218 A219 V220 F224 L225 F226 A302 F305 M306 L313 L318 F321D218-L222 PolarHBondContact O-N 2.74Å; A219-L222 WeakPolarHBondContact O-CB 3.41Å; A219-L222 PolarHBondContact O-N 2.69Å; V220-L222 PolarHBondContact O-N 2.91Å; L222-F224 PolarHBondContact O-N 2.83Å; L222-L225 PolarHBondContact O-N 2.86Å; L222-F226 PolarHBondContact O-N 2.94Å; L222-A302 HydrophobicContact CD1-CB 3.77Å; L222-F305 HydrophobicContact CB-CD1 3.94Å; L222-F305 HydrophobicContact CB-CE1 4.09Å; L222-F305 HydrophobicContact CD1-CD1 4.11Å; L222-F305 HydrophobicContact CG-CD1 4.47Å; L222-M306 HydrophobicContact CD1-CG 3.75Å; L222-M306 HydrophobicContact CD1-SD 4.28Å; L222-M306 HydrophobicContact CD2-CG 3.75Å; L222-M306 HydrophobicContact CG-CG 4.43Å; L222-L313 HydrophobicContact CD2-CD1 3.98Å; L222-L318 HydrophobicContact CD2-CD1 4.33Å; L222-F321 HydrophobicContact CD1-CE1 3.97Å; L222-F321 HydrophobicContact CD1-CE2 4.45Å; L222-F321 HydrophobicContact CD1-CZ 3.88Å; L222-F321 HydrophobicContact CD2-CD1 3.65Å; L222-F321 HydrophobicContact CD2-CD2 4.4Å; L222-F321 HydrophobicContact CD2-CE1 3.83Å; L222-F321 HydrophobicContact CD2-CG 3.96Å; L222-F321 HydrophobicContact CD2-CZ 4.29Å; L222-F321 HydrophobicContact CG-CD1 4.06Å; L222-F321 HydrophobicContact CG-CD2 4.15Å; L222-F321 HydrophobicContact CG-CE1 3.86Å; L222-F321 HydrophobicContact CG-CE2 3.95Å; L222-F321 HydrophobicContact CG-CG 4.21Å; L222-F321 HydrophobicContact CG-CZ 3.8Å
223Q93.6Very high91Very high25 Ų2529.6 Ų29.612%0.11716%0.158CC..Hα-helixtrans-59.7-45.4174.9-61.6166.5-21.600111.7F142 H144 A219 V220 R221 F226 L227 F321F142-Q223 HydrophobicContact CD1-CB 4.02Å; F142-Q223 HydrophobicContact CD1-CG 4.21Å; F142-Q223 HydrophobicContact CE1-CB 3.88Å; F142-Q223 HydrophobicContact CE1-CG 3.88Å; H144-Q223 PolarHBondContact CD2-OE1 3.28Å; H144-Q223 PolarHBondContact NE2-NE2 2.62Å; H144-Q223 VanDerWaalsContact NE2-NE2 3.11Å; H144-Q223 PolarHBondContact NE2-OE1 3.18Å; H144-Q223 VanDerWaalsContact NE2-OE1 3.12Å; A219-Q223 WeakPolarHBondContact O-CG 3.4Å; A219-Q223 PolarHBondContact O-N 3.44Å; A219-Q223 VanDerWaalsContact O-N 3.12Å; V220-Q223 WeakPolarHBondContact O-CB 3.49Å; V220-Q223 PolarHBondContact O-N 2.9Å; R221-Q223 VanDerWaalsContact C-N 3.32Å; R221-Q223 PolarHBondContact O-N 2.65Å; Q223-F226 PolarHBondContact O-N 3.18Å; Q223-L227 WeakPolarHBondContact O-CB 3.5Å; Q223-L227 VanDerWaalsContact O-CG 3.31Å; Q223-L227 WeakPolarHBondContact O-CG 3.11Å; Q223-L227 PolarHBondContact O-N 2.89Å; Q223-F321 HydrophobicContact CG-CD2 4.26Å
224F94.3Very high91.2Very high1 Ų126.4 Ų26.40%0.00414%0.135CC..Hα-helixtrans-68.5-33.9177.2-87.9-105.7000113.3A145 L148 I149 V187 M190 A191 W194 V220 R221 L222 S228A145-F224 HydrophobicContact CB-CD2 4.44Å; A145-F224 HydrophobicContact CB-CE2 3.69Å; A145-F224 HydrophobicContact CB-CZ 4.02Å; L148-F224 HydrophobicContact CD2-CE2 3.88Å; L148-F224 HydrophobicContact CD2-CZ 4.09Å; I149-F224 HydrophobicContact CD1-CE1 4.12Å; I149-F224 HydrophobicContact CD1-CZ 4.19Å; I149-F224 HydrophobicContact CG1-CE1 3.96Å; I149-F224 HydrophobicContact CG1-CZ 3.9Å; V187-F224 HydrophobicContact CB-CD1 4.47Å; V187-F224 HydrophobicContact CG1-CD1 4.3Å; V187-F224 HydrophobicContact CG2-CD1 4.34Å; V187-F224 HydrophobicContact CG2-CE1 4.17Å; M190-F224 HydrophobicContact CB-CD1 4.14Å; M190-F224 HydrophobicContact CB-CE1 4.12Å; M190-F224 HydrophobicContact CE-CE1 3.87Å; M190-F224 HydrophobicContact CE-CZ 4.1Å; M190-F224 HydrophobicContact SD-CE1 3.97Å; A191-F224 HydrophobicContact CB-CB 4.37Å; W194-F224 HydrophobicContact CE3-CB 4.22Å; W194-F224 HydrophobicContact CE3-CG 4.4Å; W194-F224 HydrophobicContact CH2-CB 4.29Å; W194-F224 AromaticContact CH2-CD2 3.9Å; W194-F224 HydrophobicContact CH2-CD2 3.9Å; W194-F224 HydrophobicContact CH2-CE2 4.41Å; W194-F224 HydrophobicContact CH2-CG 4.07Å; W194-F224 HydrophobicContact CZ3-CB 3.63Å; W194-F224 AromaticContact CZ3-CD1 3.85Å; W194-F224 HydrophobicContact CZ3-CD1 3.85Å; W194-F224 AromaticContact CZ3-CD2 3.77Å; W194-F224 HydrophobicContact CZ3-CD2 3.77Å; W194-F224 HydrophobicContact CZ3-CE1 4.43Å; W194-F224 HydrophobicContact CZ3-CE2 4.37Å; W194-F224 AromaticContact CZ3-CG 3.47Å; W194-F224 HydrophobicContact CZ3-CG 3.47Å; W194-F224 VanDerWaalsContact CZ3-CG 3.47Å; V220-F224 HydrophobicContact CG1-CD2 4.22Å; V220-F224 HydrophobicContact CG1-CE2 4.2Å; V220-F224 WeakPolarHBondContact O-CD2 3.49Å; V220-F224 PolarHBondContact O-N 2.98Å; V220-F224 VanDerWaalsContact O-N 3.11Å; R221-F224 PolarHBondContact O-N 3.26Å; L222-F224 PolarHBondContact O-N 2.83Å; F224-S228 VanDerWaalsContact O-CB 3.3Å; F224-S228 WeakPolarHBondContact O-CB 3.29Å; F224-S228 PolarHBondContact O-N 2.83Å; F224-S228 PolarHBondContact O-OG 3.04Å
225L93.7Very high91Very high15 Ų1525.6 Ų25.68%0.07913%0.132CC..Hα-helixtrans-63-45.9172.6-69.7171.8000111.1R221 L222 S228 H229 R301 A302 F305R221-L225 HydrophobicContact CG-CD1 4.46Å; R221-L225 WeakPolarHBondContact O-CG 3.37Å; R221-L225 PolarHBondContact O-N 2.75Å; L222-L225 PolarHBondContact O-N 2.86Å; L225-S228 PolarHBondContact O-N 2.96Å; L225-S228 PolarHBondContact O-OG 2.94Å; L225-H229 PolarHBondContact O-N 2.85Å; L225-R301 HydrophobicContact CD2-CB 4.38Å; L225-A302 HydrophobicContact CB-CB 4.43Å; L225-F305 HydrophobicContact CD1-CB 3.81Å; L225-F305 HydrophobicContact CD1-CD1 4.32Å; L225-F305 HydrophobicContact CD1-CD2 3.82Å; L225-F305 HydrophobicContact CD1-CG 3.71Å
226F95.4Very high90.8Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-59.6-53.8173.8168.3-107.5000112.4F142 L222 Q223 S228 H229 A230 V298 A302 F321 A325 F328 Y329F142-F226 HydrophobicContact CD2-CE1 4.49Å; F142-F226 HydrophobicContact CE1-CD1 4.09Å; F142-F226 AromaticContact CE2-CD1 3.9Å; F142-F226 HydrophobicContact CE2-CD1 3.9Å; F142-F226 AromaticContact CE2-CE1 3.55Å; F142-F226 HydrophobicContact CE2-CE1 3.55Å; F142-F226 AromaticContact CZ-CD1 3.48Å; F142-F226 HydrophobicContact CZ-CD1 3.48Å; F142-F226 VanDerWaalsContact CZ-CD1 3.48Å; F142-F226 AromaticContact CZ-CE1 3.59Å; F142-F226 HydrophobicContact CZ-CE1 3.59Å; L222-F226 PolarHBondContact O-N 2.94Å; Q223-F226 PolarHBondContact O-N 3.18Å; F226-S228 PolarHBondContact O-N 2.9Å; F226-H229 WeakPolarHBondContact O-CA 3.37Å; F226-H229 WeakPolarHBondContact O-CB 3.39Å; F226-H229 PolarHBondContact O-N 2.82Å; F226-A230 HydrophobicContact CE1-CB 4.1Å; F226-A230 HydrophobicContact CE2-CB 4Å; F226-A230 HydrophobicContact CZ-CB 3.76Å; F226-A230 PolarHBondContact O-N 3.09Å; F226-V298 HydrophobicContact CD2-CB 3.91Å; F226-V298 HydrophobicContact CD2-CG1 4.08Å; F226-V298 HydrophobicContact CE2-CB 4.48Å; F226-V298 HydrophobicContact CE2-CG1 4.37Å; F226-A302 HydrophobicContact CB-CB 4.35Å; F226-F321 HydrophobicContact CB-CE2 3.68Å; F226-F321 HydrophobicContact CB-CZ 3.76Å; F226-F321 HydrophobicContact CD1-CE2 4.36Å; F226-F321 HydrophobicContact CD2-CZ 4.49Å; F226-F321 HydrophobicContact CG-CE2 4.02Å; F226-F321 HydrophobicContact CG-CZ 4.12Å; F226-A325 HydrophobicContact CD1-CB 4.49Å; F226-A325 HydrophobicContact CD2-CB 4.34Å; F226-A325 HydrophobicContact CE1-CB 4.03Å; F226-A325 HydrophobicContact CE2-CB 3.85Å; F226-A325 HydrophobicContact CZ-CB 3.68Å; F226-F328 HydrophobicContact CE1-CB 4.3Å; F226-F328 HydrophobicContact CE1-CD1 4.22Å; F226-F328 HydrophobicContact CE1-CG 4.13Å; F226-F328 HydrophobicContact CZ-CD1 4.06Å; F226-F328 HydrophobicContact CZ-CG 4.37Å; F226-Y329 AromaticContact CE2-CE2 3.61Å; F226-Y329 HydrophobicContact CE2-CE2 3.61Å; F226-Y329 AromaticContact CE2-CZ 3.83Å; F226-Y329 HydrophobicContact CZ-CD2 4.28Å; F226-Y329 AromaticContact CZ-CE2 3.69Å; F226-Y329 HydrophobicContact CZ-CE2 3.69Å; F226-Y329 AromaticContact CZ-CZ 3.98Å
227L94.5Very high90.7Very high0 Ų028.7 Ų28.70%015%0.145CC..Hα-helixtrans-61.6-31.8-178.7-68.6172.9000111.9L138 F142 A145 V187 Q223 H229 A230 L231 F328L138-L227 HydrophobicContact CD2-CD1 3.92Å; L138-L227 HydrophobicContact CD2-CD2 3.72Å; L138-L227 HydrophobicContact CD2-CG 4.44Å; F142-L227 HydrophobicContact CB-CD1 3.92Å; F142-L227 HydrophobicContact CB-CD2 4.29Å; F142-L227 HydrophobicContact CD1-CD1 3.94Å; F142-L227 HydrophobicContact CD1-CD2 4.34Å; F142-L227 HydrophobicContact CD1-CG 4.2Å; F142-L227 HydrophobicContact CD2-CD2 3.84Å; F142-L227 HydrophobicContact CE2-CD2 4.26Å; F142-L227 HydrophobicContact CG-CD1 3.95Å; F142-L227 HydrophobicContact CG-CD2 3.89Å; F142-L227 HydrophobicContact CG-CG 4.21Å; A145-L227 HydrophobicContact CB-CD1 3.84Å; V187-L227 HydrophobicContact CG1-CB 3.59Å; V187-L227 HydrophobicContact CG2-CB 4.41Å; Q223-L227 WeakPolarHBondContact O-CB 3.5Å; Q223-L227 VanDerWaalsContact O-CG 3.31Å; Q223-L227 WeakPolarHBondContact O-CG 3.11Å; Q223-L227 PolarHBondContact O-N 2.89Å; L227-H229 PolarHBondContact O-N 2.98Å; L227-A230 PolarHBondContact O-N 3.35Å; L227-L231 HydrophobicContact CB-CD1 4.12Å; L227-L231 HydrophobicContact CD2-CD1 4.46Å; L227-L231 VanDerWaalsContact O-CB 3.25Å; L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 VanDerWaalsContact O-CG 3.31Å; L227-L231 WeakPolarHBondContact O-CG 3.39Å; L227-L231 PolarHBondContact O-N 3.35Å; L227-F328 HydrophobicContact CD2-CD2 3.98Å; L227-F328 HydrophobicContact CD2-CE2 3.93Å
228S92.4Very high90.4Very high6 Ų625.6 Ų25.64%0.04213%0.128CC..Hα-helixtrans-64.8-24.8174.978.20000113.8F224 L225 F226 R301F224-S228 VanDerWaalsContact O-CB 3.3Å; F224-S228 WeakPolarHBondContact O-CB 3.29Å; F224-S228 PolarHBondContact O-N 2.83Å; F224-S228 PolarHBondContact O-OG 3.04Å; L225-S228 PolarHBondContact O-N 2.96Å; L225-S228 PolarHBondContact O-OG 2.94Å; F226-S228 PolarHBondContact O-N 2.9Å; S228-R301 PolarHBondContact OG-NH1 3.38Å; S228-R301 VanDerWaalsContact OG-NH1 3.08Å
229H92.7Very high90.1Very high66 Ų6627.2 Ų27.231%0.30614%0.135SC..Hα-helixtrans-87.5-49.7171169.958.9000111.4L225 F226 L227 L231 E232 N297 G299L225-H229 PolarHBondContact O-N 2.85Å; F226-H229 WeakPolarHBondContact O-CA 3.37Å; F226-H229 WeakPolarHBondContact O-CB 3.39Å; F226-H229 PolarHBondContact O-N 2.82Å; L227-H229 PolarHBondContact O-N 2.98Å; H229-L231 PolarHBondContact O-N 2.86Å; H229-E232 WeakPolarHBondContact O-CB 3.27Å; H229-E232 PolarHBondContact O-N 3.24Å; H229-N297 PolarHBondContact NE2-ND2 2.99Å; H229-G299 WeakPolarHBondContact CD2-CA 3.23Å; H229-G299 PolarHBondContact CD2-N 2.89Å
230A92.8Very high89.6Confident2 Ų228.2 Ų28.22%0.01714%0.137CC..Hα-helixtrans-65.4-35.6-172.900000113.1F226 L227 Y262 F328 Y329F226-A230 HydrophobicContact CE1-CB 4.1Å; F226-A230 HydrophobicContact CE2-CB 4Å; F226-A230 HydrophobicContact CZ-CB 3.76Å; F226-A230 PolarHBondContact O-N 3.09Å; L227-A230 PolarHBondContact O-N 3.35Å; A230-Y262 PolarHBondContact O-OH 3.16Å; A230-F328 HydrophobicContact CB-CD1 4.24Å; A230-F328 HydrophobicContact CB-CE1 3.68Å; A230-F328 HydrophobicContact CB-CZ 4.09Å; A230-Y329 HydrophobicContact CB-CE1 4.24Å
231L92.2Very high88.9Confident3 Ų328.6 Ų28.62%0.01614%0.137CC..THydrogen-bonded Turntrans-83.8-8.3-179.5-62173.7000114.2C134 L138 A184 V187 L227 H229 L234 R235 F328C134-L231 HydrophobicContact CB-CD2 4.41Å; L138-L231 HydrophobicContact CD1-CD1 4.44Å; L138-L231 HydrophobicContact CD2-CD1 4.27Å; L138-L231 HydrophobicContact CG-CD2 4.47Å; A184-L231 HydrophobicContact CB-CB 4.19Å; A184-L231 HydrophobicContact CB-CD1 4.18Å; V187-L231 HydrophobicContact CB-CD1 4.3Å; V187-L231 HydrophobicContact CG1-CD1 4.36Å; V187-L231 HydrophobicContact CG2-CD1 4.1Å; L227-L231 HydrophobicContact CB-CD1 4.12Å; L227-L231 HydrophobicContact CD2-CD1 4.46Å; L227-L231 VanDerWaalsContact O-CB 3.25Å; L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 VanDerWaalsContact O-CG 3.31Å; L227-L231 WeakPolarHBondContact O-CG 3.39Å; L227-L231 PolarHBondContact O-N 3.35Å; H229-L231 PolarHBondContact O-N 2.86Å; L231-L234 HydrophobicContact CD2-CD1 4.06Å; L231-L234 PolarHBondContact O-N 2.98Å; L231-R235 PolarHBondContact O-N 2.7Å; L231-R235 VanDerWaalsContact O-N 3.07Å; L231-F328 HydrophobicContact CD2-CE2 3.9Å; L231-F328 HydrophobicContact CD2-CZ 3.72Å; L231-F328 HydrophobicContact CG-CZ 4.44Å
232E89.8Confident88.1Confident65 Ų6533.7 Ų33.730%0.30416%0.157SC..Hα-helixtrans-64.8-49.2-173.6171.7144.2-86.200113.4Q188 H229 L234 R235 E236Q188-E232 PolarHBondContact NE2-OE1 2.86Å; Q188-E232 VanDerWaalsContact NE2-OE1 3.16Å; H229-E232 WeakPolarHBondContact O-CB 3.27Å; H229-E232 PolarHBondContact O-N 3.24Å; E232-L234 VanDerWaalsContact C-N 3.27Å; E232-L234 PolarHBondContact O-N 3.11Å; E232-R235 WeakPolarHBondContact O-CB 3.47Å; E232-R235 PolarHBondContact O-N 3.12Å; E232-R235 VanDerWaalsContact O-N 3.15Å; E232-R235 IonicContact OE1-CZ 2.98Å; E232-R235 IonicContact OE1-NH1 3.76Å; E232-R235 PolarHBondContact OE1-NH1 2.96Å; E232-R235 IonicContact OE1-NH2 3.83Å; E232-R235 PolarHBondContact OE1-NH2 3.35Å; E232-E236 PolarHBondContact O-N 3.33Å; E232-E236 VanDerWaalsContact O-N 3.12Å
233P89.5Confident87Confident44 Ų4436.3 Ų36.329%0.28618%0.179SC..Hα-helixtrans-59.3-32.3173.8-28.538.1000114.6L237 L258P233-L237 PolarHBondContact O-N 2.72Å; P233-L237 VanDerWaalsContact O-N 3.12Å; P233-L258 HydrophobicContact CB-CD1 3.65Å
234L89.6Confident85.7Confident3 Ų335.8 Ų35.82%0.01618%0.18CC..Hα-helixtrans-69.6-40.7176.6-66171.7000111.6A130 T133 C134 L231 E232 E236 N238 L258 Y262A130-L234 HydrophobicContact CB-CB 4.45Å; A130-L234 HydrophobicContact CB-CD2 4.37Å; A130-L234 WeakPolarHBondContact CB-O 3.31Å; T133-L234 HydrophobicContact CG2-CD1 4.02Å; T133-L234 HydrophobicContact CG2-CD2 3.53Å; T133-L234 HydrophobicContact CG2-CG 4.42Å; C134-L234 HydrophobicContact CB-CD1 4.03Å; L231-L234 HydrophobicContact CD2-CD1 4.06Å; L231-L234 PolarHBondContact O-N 2.98Å; E232-L234 VanDerWaalsContact C-N 3.27Å; E232-L234 PolarHBondContact O-N 3.11Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-N238 VanDerWaalsContact O-CB 3.27Å; L234-N238 WeakPolarHBondContact O-CB 2.91Å; L234-N238 PolarHBondContact O-N 3.2Å; L234-L258 HydrophobicContact CD2-CD1 4.29Å; L234-L258 HydrophobicContact CD2-CD2 3.65Å; L234-Y262 HydrophobicContact CD1-CE2 4.43Å; L234-Y262 WeakPolarHBondContact CD1-OH 3.34Å; L234-Y262 HydrophobicContact CD2-CE2 4.5Å; L234-Y262 VanDerWaalsContact CG-OH 3.32Å; L234-Y262 WeakPolarHBondContact CG-OH 3.44Å
235R86.2Confident84.2Confident31 Ų3142.1 Ų42.112%0.11721%0.213CC..Hα-helixtrans-60.8-44.4175.8-170.8-171.368.6-122.1-1.4110.8Q188 L231 E232 N238 E239Q188-R235 VanDerWaalsContact NE2-NH1 3.12Å; L231-R235 PolarHBondContact O-N 2.7Å; L231-R235 VanDerWaalsContact O-N 3.07Å; E232-R235 WeakPolarHBondContact O-CB 3.47Å; E232-R235 PolarHBondContact O-N 3.12Å; E232-R235 VanDerWaalsContact O-N 3.15Å; E232-R235 IonicContact OE1-CZ 2.98Å; E232-R235 IonicContact OE1-NH1 3.76Å; E232-R235 PolarHBondContact OE1-NH1 2.96Å; E232-R235 IonicContact OE1-NH2 3.83Å; E232-R235 PolarHBondContact OE1-NH2 3.35Å; R235-N238 PolarHBondContact O-N 3.39Å; R235-E239 WeakPolarHBondContact O-CG 3.46Å; R235-E239 PolarHBondContact O-N 2.67Å
236E83.4Confident83.2Confident127 Ų12741.8 Ų41.859%0.59321%0.212SC*.Hα-helixtrans-65.4-46179.2-67.2-174.316300112.7E232 L234 N238 E239 L240E232-E236 PolarHBondContact O-N 3.33Å; E232-E236 VanDerWaalsContact O-N 3.12Å; L234-E236 VanDerWaalsContact C-N 3.34Å; E236-N238 VanDerWaalsContact C-N 3.3Å; E236-N238 PolarHBondContact O-N 2.78Å; E236-E239 PolarHBondContact O-N 3.1Å; E236-L240 PolarHBondContact O-N 3.23Å; E236-L240 VanDerWaalsContact O-N 3.16Å
237L84.6Confident82.6Confident7 Ų746.9 Ų46.94%0.03724%0.236CC..Hα-helixtrans-59.8-41.1174.217958.6000111.6I129 A130 P233 L240 Q241 L254 L258I129-L237 HydrophobicContact CG2-CD2 3.99Å; A130-L237 HydrophobicContact CB-CB 4.5Å; A130-L237 HydrophobicContact CB-CD2 4.46Å; A130-L237 HydrophobicContact CB-CG 4.45Å; P233-L237 PolarHBondContact O-N 2.72Å; P233-L237 VanDerWaalsContact O-N 3.12Å; L237-L240 PolarHBondContact O-N 2.85Å; L237-Q241 WeakPolarHBondContact O-CG 3.46Å; L237-Q241 PolarHBondContact O-N 2.92Å; L237-Q241 VanDerWaalsContact O-N 3.13Å; L237-L254 HydrophobicContact CD1-CB 4Å; L237-L254 HydrophobicContact CD1-CD1 4.5Å; L237-L258 HydrophobicContact CD2-CD2 3.86Å
238N83.2Confident82.3Confident12 Ų1247 Ų476%0.06424%0.236CC..Hα-helixtrans-65.7-48.2178.7-178.594.9000113A130 L181 L234 R235 E236 L240 Q241 R242A130-N238 HydrophobicContact CB-CB 3.85Å; L181-N238 HydrophobicContact CD1-CB 4Å; L181-N238 VanDerWaalsContact CD1-CG 3.42Å; L181-N238 WeakPolarHBondContact CD1-ND2 3.29Å; L181-N238 WeakPolarHBondContact CD2-ND2 3.45Å; L234-N238 VanDerWaalsContact O-CB 3.27Å; L234-N238 WeakPolarHBondContact O-CB 2.91Å; L234-N238 PolarHBondContact O-N 3.2Å; R235-N238 PolarHBondContact O-N 3.39Å; E236-N238 VanDerWaalsContact C-N 3.3Å; E236-N238 PolarHBondContact O-N 2.78Å; N238-L240 PolarHBondContact O-N 3.29Å; N238-Q241 PolarHBondContact O-N 3.24Å; N238-Q241 VanDerWaalsContact O-N 3.13Å; N238-R242 WeakPolarHBondContact ND2-CD 3.5Å; N238-R242 WeakPolarHBondContact O-CG 3.46Å; N238-R242 PolarHBondContact O-N 3.34Å
239E80.6Confident82Confident75 Ų7547.7 Ų47.735%0.3524%0.241SC..Hα-helixtrans-64.6-30.8-179.7-67.2-43.2110.800111.8H185 R235 E236 R242 A243H185-E239 IonicContact CE1-OE1 2.69Å; R235-E239 WeakPolarHBondContact O-CG 3.46Å; R235-E239 PolarHBondContact O-N 2.67Å; E236-E239 PolarHBondContact O-N 3.1Å; E239-R242 PolarHBondContact O-N 3.09Å; E239-R242 IonicContact OE2-NE 3.11Å; E239-A243 WeakPolarHBondContact O-CB 3.38Å; E239-A243 PolarHBondContact O-N 3.5Å
240L78.3Confident81.6Confident43 Ų4348.7 Ų48.723%0.22525%0.247CC..Hα-helixtrans-64-45.6171.3-168.171.5000112.2E236 L237 N238 A243 A246 M250 L254E236-L240 PolarHBondContact O-N 3.23Å; E236-L240 VanDerWaalsContact O-N 3.16Å; L237-L240 PolarHBondContact O-N 2.85Å; N238-L240 PolarHBondContact O-N 3.29Å; L240-A243 PolarHBondContact O-N 3.45Å; L240-A246 HydrophobicContact CD1-CB 3.89Å; L240-A246 HydrophobicContact CD2-CB 3.8Å; L240-A246 HydrophobicContact CG-CB 3.62Å; L240-M250 HydrophobicContact CD1-CE 4.47Å; L240-M250 HydrophobicContact CD2-CE 4.05Å; L240-M250 HydrophobicContact CD2-CG 4.28Å; L240-M250 HydrophobicContact CD2-SD 4.14Å; L240-L254 HydrophobicContact CD2-CD1 3.29Å
241Q77.4Confident81.3Confident25 Ų2549.3 Ų49.312%0.11725%0.25CC..Hα-helixtrans-62.9-41.7174.5-72.1-169.8-37.500111.9I126 L237 N238 G244 E251I126-Q241 PolarHBondContact O-NE2 3.36Å; L237-Q241 WeakPolarHBondContact O-CG 3.46Å; L237-Q241 PolarHBondContact O-N 2.92Å; L237-Q241 VanDerWaalsContact O-N 3.13Å; N238-Q241 PolarHBondContact O-N 3.24Å; N238-Q241 VanDerWaalsContact O-N 3.13Å; Q241-G244 PolarHBondContact O-N 2.94Å; Q241-E251 HydrophobicContact CG-CG 4.39Å; Q241-E251 WeakPolarHBondContact CG-OE2 3.46Å; Q241-E251 PolarHBondContact NE2-OE2 3.09Å
242R73.3Confident81Confident154 Ų15449.3 Ų49.358%0.58125%0.25SC*.Hα-helixtrans-68.6-33.9178.8-76.2-178.36178.24.4113.8N238 E239 G244N238-R242 WeakPolarHBondContact ND2-CD 3.5Å; N238-R242 WeakPolarHBondContact O-CG 3.46Å; N238-R242 PolarHBondContact O-N 3.34Å; E239-R242 PolarHBondContact O-N 3.09Å; E239-R242 IonicContact OE2-NE 3.11Å; R242-G244 PolarHBondContact O-N 3.18Å
243A69.5Low80.9Confident59 Ų5949.4 Ų49.449%0.48825%0.25SS..Hα-helixtrans-64-28.217700000111.7E239 L240 I245E239-A243 WeakPolarHBondContact O-CB 3.38Å; E239-A243 PolarHBondContact O-N 3.5Å; L240-A243 PolarHBondContact O-N 3.45Å; A243-I245 VanDerWaalsContact C-N 3.26Å; A243-I245 HydrophobicContact CB-CB 4.5Å; A243-I245 HydrophobicContact CB-CD1 4.07Å; A243-I245 HydrophobicContact CB-CG1 4.06Å; A243-I245 PolarHBondContact O-N 2.86Å
244G65.9Low80.7Confident14 Ų1450.1 Ų50.114%0.14425%0.251CS..THydrogen-bonded Turntrans62.834.5-178.500000112.5Q241 R242 Q445Q241-G244 PolarHBondContact O-N 2.94Å; R242-G244 PolarHBondContact O-N 3.18Å; G244-Q445 PolarHBondContact O-NE2 3.05Å
245I64.1Low80.5Confident134 Ų13450 Ų5069%0.68725%0.25SS*.  trans-109.3-36.8-178.4-60.4176.3000111.5A243 Q445A243-I245 VanDerWaalsContact C-N 3.26Å; A243-I245 HydrophobicContact CB-CB 4.5Å; A243-I245 HydrophobicContact CB-CD1 4.07Å; A243-I245 HydrophobicContact CB-CG1 4.06Å; A243-I245 PolarHBondContact O-N 2.86Å; I245-Q445 PolarHBondContact O-NE2 3.42Å
246A71.6Confident80.5Confident8 Ų848.5 Ų48.57%0.06625%0.245CC..SBendtrans-69.8158.6-17600000113.9L240 M250L240-A246 HydrophobicContact CD1-CB 3.89Å; L240-A246 HydrophobicContact CD2-CB 3.8Å; L240-A246 HydrophobicContact CG-CB 3.62Å; A246-M250 HydrophobicContact CB-SD 4.13Å
247E84.1Confident80.7Confident106 Ų10646.3 Ų46.350%0.49524%0.237SC..  trans-88.1154.2167.2-65.6-158.1137.400111.9S249 M250 E251 S439E247-S249 VanDerWaalsContact CB-OG 3.27Å; E247-S249 WeakPolarHBondContact CB-OG 3.48Å; E247-S249 PolarHBondContact O-N 3.31Å; E247-S249 PolarHBondContact OE2-OG 3.37Å; E247-M250 WeakPolarHBondContact O-CB 3.46Å; E247-M250 PolarHBondContact O-N 3.08Å; E247-E251 PolarHBondContact O-N 3.35Å; E247-E251 VanDerWaalsContact O-N 3.14Å; E247-S439 CarbonylContact C-O 3.59Å; E247-S439 WeakPolarHBondContact CA-O 3.44Å; E247-S439 WeakPolarHBondContact CB-O 3.41Å
248L87.1Confident80.9Confident3 Ų346.4 Ų46.42%0.01624%0.237CC..Hα-helixtrans-56-34.4176.1178.862.7000112.3L123 I126 M250 E251 L252 P438 S439 L441L123-L248 HydrophobicContact CD1-CD2 3.78Å; L123-L248 HydrophobicContact CD2-CD2 4.2Å; I126-L248 HydrophobicContact CG1-CD1 4.45Å; I126-L248 HydrophobicContact CG2-CD1 4.09Å; L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.14Å; L248-E251 PolarHBondContact O-N 3.34Å; L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CD2 4.48Å; L248-L252 HydrophobicContact CD1-CG 4.08Å; L248-L252 HydrophobicContact CG-CD1 3.98Å; L248-L252 HydrophobicContact CG-CG 4.25Å; L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.3Å; L248-L252 PolarHBondContact O-N 2.81Å; L248-P438 WeakPolarHBondContact CB-O 3.5Å; L248-P438 HydrophobicContact CD2-CB 4.14Å; L248-P438 HydrophobicContact CD2-CG 4.43Å; L248-P438 VanDerWaalsContact CD2-O 3.3Å; L248-P438 WeakPolarHBondContact CD2-O 3.32Å; L248-S439 PolarHBondContact N-O 3.18Å; L248-L441 HydrophobicContact CD1-CD1 4.04Å; L248-L441 HydrophobicContact CD1-CG 4.26Å
249S86.1Confident81Confident21 Ų2145.8 Ų45.815%0.14723%0.234CC..Hα-helixtrans-54.3-43.4173.650.90000112.3E247 Q253E247-S249 VanDerWaalsContact CB-OG 3.27Å; E247-S249 WeakPolarHBondContact CB-OG 3.48Å; E247-S249 PolarHBondContact O-N 3.31Å; E247-S249 PolarHBondContact OE2-OG 3.37Å; S249-Q253 WeakPolarHBondContact O-CB 3.4Å; S249-Q253 PolarHBondContact O-N 3.2Å; S249-Q253 VanDerWaalsContact O-N 3.16Å
250M84.6Confident81.3Confident87 Ų8745.2 Ų45.243%0.42923%0.231SC..Hα-helixtrans-74.8-39.6178.8-171.9178.5-177.700112L240 A246 E247 L248 L252 Q253 L254L240-M250 HydrophobicContact CD1-CE 4.47Å; L240-M250 HydrophobicContact CD2-CE 4.05Å; L240-M250 HydrophobicContact CD2-CG 4.28Å; L240-M250 HydrophobicContact CD2-SD 4.14Å; A246-M250 HydrophobicContact CB-SD 4.13Å; E247-M250 WeakPolarHBondContact O-CB 3.46Å; E247-M250 PolarHBondContact O-N 3.08Å; L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.14Å; M250-L252 PolarHBondContact O-N 2.73Å; M250-Q253 PolarHBondContact O-N 3.36Å; M250-L254 HydrophobicContact CE-CD1 4.27Å; M250-L254 HydrophobicContact CG-CD1 4.06Å; M250-L254 WeakPolarHBondContact O-CB 3.26Å; M250-L254 WeakPolarHBondContact O-CG 3.45Å; M250-L254 PolarHBondContact O-N 2.9Å
251E85.6Confident81.8Confident14 Ų1445.6 Ų45.67%0.06524%0.238CC..Hα-helixtrans-60.7-43.3174.6-68-174.2-13100112.1I126 Q241 E247 L248 T255I126-E251 HydrophobicContact CG2-CB 4.39Å; I126-E251 WeakPolarHBondContact CG2-OE2 3.46Å; Q241-E251 HydrophobicContact CG-CG 4.39Å; Q241-E251 WeakPolarHBondContact CG-OE2 3.46Å; Q241-E251 PolarHBondContact NE2-OE2 3.09Å; E247-E251 PolarHBondContact O-N 3.35Å; E247-E251 VanDerWaalsContact O-N 3.14Å; L248-E251 PolarHBondContact O-N 3.34Å; E251-T255 WeakPolarHBondContact O-CB 3.33Å; E251-T255 PolarHBondContact O-N 3.15Å; E251-T255 PolarHBondContact O-OG1 2.85Å
252L87.1Confident82.4Confident3 Ų344.6 Ų44.62%0.01623%0.233CC..Hα-helixtrans-66.8-42.1177.4-67.5172.7000111.8I126 L248 M250 T255 S256 L344 L349 I352I126-L252 HydrophobicContact CD1-CD2 3.66Å; I126-L252 HydrophobicContact CG1-CD2 4.3Å; L248-L252 HydrophobicContact CD1-CD1 4.28Å; L248-L252 HydrophobicContact CD1-CD2 4.48Å; L248-L252 HydrophobicContact CD1-CG 4.08Å; L248-L252 HydrophobicContact CG-CD1 3.98Å; L248-L252 HydrophobicContact CG-CG 4.25Å; L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.3Å; L248-L252 PolarHBondContact O-N 2.81Å; M250-L252 PolarHBondContact O-N 2.73Å; L252-T255 WeakPolarHBondContact O-CB 3.5Å; L252-T255 PolarHBondContact O-N 3.38Å; L252-S256 PolarHBondContact O-N 2.9Å; L252-S256 VanDerWaalsContact O-N 3.11Å; L252-L344 HydrophobicContact CD1-CD1 4.36Å; L252-L344 HydrophobicContact CD2-CD1 4.39Å; L252-L349 HydrophobicContact CB-CD2 3.99Å; L252-L349 HydrophobicContact CD2-CD2 3.73Å; L252-L349 HydrophobicContact CG-CD2 4.31Å; L252-I352 HydrophobicContact CD1-CD1 4.4Å
253Q86.3Confident83Confident68 Ų6837.3 Ų37.332%0.31821%0.205SC..Hα-helixtrans-63.5-45.1177.5-174.6179.90.300111.8S249 M250 T255 S256 I257 L349S249-Q253 WeakPolarHBondContact O-CB 3.4Å; S249-Q253 PolarHBondContact O-N 3.2Å; S249-Q253 VanDerWaalsContact O-N 3.16Å; M250-Q253 PolarHBondContact O-N 3.36Å; Q253-T255 VanDerWaalsContact C-N 3.33Å; Q253-T255 PolarHBondContact O-N 3.35Å; Q253-S256 PolarHBondContact O-N 3.33Å; Q253-I257 HydrophobicContact CG-CD1 4.18Å; Q253-I257 WeakPolarHBondContact O-CG1 3.2Å; Q253-I257 PolarHBondContact O-N 2.98Å; Q253-L349 WeakPolarHBondContact CA-O 3.47Å; Q253-L349 PolarHBondContact N-O 3.28Å
254L85.6Confident83.9Confident58 Ų5836.9 Ų36.930%0.30420%0.202SC..Hα-helixtrans-66-35176.7-71.1168.5000112.4L237 L240 M250 S256 I257 L258L237-L254 HydrophobicContact CD1-CB 4Å; L237-L254 HydrophobicContact CD1-CD1 4.5Å; L240-L254 HydrophobicContact CD2-CD1 3.29Å; M250-L254 HydrophobicContact CE-CD1 4.27Å; M250-L254 HydrophobicContact CG-CD1 4.06Å; M250-L254 WeakPolarHBondContact O-CB 3.26Å; M250-L254 WeakPolarHBondContact O-CG 3.45Å; M250-L254 PolarHBondContact O-N 2.9Å; L254-S256 VanDerWaalsContact C-N 3.32Å; L254-S256 PolarHBondContact O-N 3.4Å; L254-I257 HydrophobicContact CD2-CD1 4.45Å; L254-I257 PolarHBondContact O-N 3.49Å; L254-L258 VanDerWaalsContact O-CB 3.3Å; L254-L258 WeakPolarHBondContact O-CB 3.45Å; L254-L258 PolarHBondContact O-N 3.32Å
255T86.6Confident85Confident0 Ų036.5 Ų36.50%020%0.197CC..Hα-helixtrans-61.7-38.6173.6-60.80000111.8I129 E251 L252 Q253 M259 I340I129-T255 HydrophobicContact CD1-CG2 3.64Å; E251-T255 WeakPolarHBondContact O-CB 3.33Å; E251-T255 PolarHBondContact O-N 3.15Å; E251-T255 PolarHBondContact O-OG1 2.85Å; L252-T255 WeakPolarHBondContact O-CB 3.5Å; L252-T255 PolarHBondContact O-N 3.38Å; Q253-T255 VanDerWaalsContact C-N 3.33Å; Q253-T255 PolarHBondContact O-N 3.35Å; T255-M259 WeakPolarHBondContact O-CB 3.33Å; T255-M259 PolarHBondContact O-N 3.21Å; T255-I340 HydrophobicContact CG2-CD1 4.24Å; T255-I340 HydrophobicContact CG2-CG1 4.04Å
256S86.3Confident86.1Confident0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-68.1-47.3173160.50000112.6L252 Q253 L254 L258 M259 E260 D346 R350L252-S256 PolarHBondContact O-N 2.9Å; L252-S256 VanDerWaalsContact O-N 3.11Å; Q253-S256 PolarHBondContact O-N 3.33Å; L254-S256 VanDerWaalsContact C-N 3.32Å; L254-S256 PolarHBondContact O-N 3.4Å; S256-L258 PolarHBondContact O-N 3.1Å; S256-M259 CarbonylContact O-C 3.57Å; S256-M259 WeakPolarHBondContact O-CA 3.31Å; S256-M259 WeakPolarHBondContact O-CB 3.25Å; S256-M259 PolarHBondContact O-N 2.93Å; S256-E260 WeakPolarHBondContact O-CB 3.48Å; S256-E260 PolarHBondContact O-N 3.1Å; S256-D346 WeakPolarHBondContact CB-OD1 3.39Å; S256-D346 PolarHBondContact OG-OD1 2.88Å; S256-R350 VanDerWaalsContact OG-CD 3.22Å; S256-R350 WeakPolarHBondContact OG-CD 3.42Å; S256-R350 WeakPolarHBondContact OG-CG 3.32Å
257I86.6Confident86.6Confident82 Ų8230 Ų3042%0.42116%0.163SC..Hα-helixtrans-57.3-39.2178-67.6164.5000111Q253 L254 S261Q253-I257 HydrophobicContact CG-CD1 4.18Å; Q253-I257 WeakPolarHBondContact O-CG1 3.2Å; Q253-I257 PolarHBondContact O-N 2.98Å; L254-I257 HydrophobicContact CD2-CD1 4.45Å; L254-I257 PolarHBondContact O-N 3.49Å; I257-S261 VanDerWaalsContact O-CB 3.28Å; I257-S261 WeakPolarHBondContact O-CB 3.06Å; I257-S261 PolarHBondContact O-N 2.87Å
258L88.8Confident86.4Confident8 Ų828.4 Ų28.44%0.04216%0.155CC..Hα-helixtrans-64.2-45.5173.5176.363.9000112.4P233 L234 L237 L254 S256 S261 Y262 L336P233-L258 HydrophobicContact CB-CD1 3.65Å; L234-L258 HydrophobicContact CD2-CD1 4.29Å; L234-L258 HydrophobicContact CD2-CD2 3.65Å; L237-L258 HydrophobicContact CD2-CD2 3.86Å; L254-L258 VanDerWaalsContact O-CB 3.3Å; L254-L258 WeakPolarHBondContact O-CB 3.45Å; L254-L258 PolarHBondContact O-N 3.32Å; S256-L258 PolarHBondContact O-N 3.1Å; L258-S261 PolarHBondContact O-N 2.98Å; L258-Y262 HydrophobicContact CD1-CD1 4.09Å; L258-Y262 HydrophobicContact CD1-CD2 4.31Å; L258-Y262 HydrophobicContact CD1-CE1 3.83Å; L258-Y262 HydrophobicContact CD1-CE2 4.03Å; L258-Y262 HydrophobicContact CD1-CG 4.35Å; L258-Y262 WeakPolarHBondContact O-CB 3.28Å; L258-Y262 PolarHBondContact O-N 3.22Å; L258-L336 HydrophobicContact CD2-CD1 4.02Å; L258-L336 HydrophobicContact CD2-CD2 3.62Å; L258-L336 HydrophobicContact CD2-CG 4.48Å; L258-L336 HydrophobicContact CG-CD1 3.82Å; L258-L336 HydrophobicContact CG-CD2 4.31Å
259M86.4Confident85.8Confident0 Ų033 Ų330%019%0.185CC..Hα-helixtrans-61.8-43.7176.6-178.8171.164.400111.8T255 S256 T263 F275 L276 V279 L333 V337 I340 D346 L349T255-M259 WeakPolarHBondContact O-CB 3.33Å; T255-M259 PolarHBondContact O-N 3.21Å; S256-M259 CarbonylContact O-C 3.57Å; S256-M259 WeakPolarHBondContact O-CA 3.31Å; S256-M259 WeakPolarHBondContact O-CB 3.25Å; S256-M259 PolarHBondContact O-N 2.93Å; M259-T263 VanDerWaalsContact O-CB 3.31Å; M259-T263 WeakPolarHBondContact O-CB 3.48Å; M259-T263 PolarHBondContact O-N 3.23Å; M259-T263 PolarHBondContact O-OG1 3.07Å; M259-F275 HydrophobicContact CG-CE1 4.09Å; M259-F275 HydrophobicContact SD-CE1 4.31Å; M259-L276 HydrophobicContact CE-CD2 3.84Å; M259-L276 HydrophobicContact CG-CD2 4.24Å; M259-V279 HydrophobicContact CE-CG2 4.04Å; M259-V279 HydrophobicContact SD-CG1 4.37Å; M259-V279 HydrophobicContact SD-CG2 4.32Å; M259-L333 HydrophobicContact CG-CD1 3.81Å; M259-V337 HydrophobicContact SD-CG2 3.94Å; M259-I340 HydrophobicContact CE-CD1 4.04Å; M259-I340 HydrophobicContact SD-CD1 3.62Å; M259-D346 HydrophobicContact CE-CB 3.87Å; M259-L349 HydrophobicContact CE-CD1 4.41Å
260E85.4Confident85.2Confident62 Ų6237.1 Ų37.129%0.2920%0.202SC..Hα-helixtrans-61.2-48.8174.8-179.8163.8-132.300111.4S256 T263 A264 L276 R350S256-E260 WeakPolarHBondContact O-CB 3.48Å; S256-E260 PolarHBondContact O-N 3.1Å; E260-T263 PolarHBondContact O-N 2.71Å; E260-A264 WeakPolarHBondContact O-CB 3.47Å; E260-A264 PolarHBondContact O-N 3.2Å; E260-L276 HydrophobicContact CB-CD1 4.14Å; E260-L276 HydrophobicContact CB-CD2 4.5Å; E260-L276 HydrophobicContact CG-CD1 4.01Å; E260-R350 IonicContact OE1-CZ 2.79Å; E260-R350 IonicContact OE1-NH1 2.68Å; E260-R350 PolarHBondContact OE1-NH1 3.17Å; E260-R350 IonicContact OE1-NH2 3.66Å; E260-R350 IonicContact OE2-CZ 2.66Å; E260-R350 IonicContact OE2-NH1 3.12Å; E260-R350 PolarHBondContact OE2-NH1 3.42Å
261S89.2Confident84.6Confident52 Ų5233.2 Ų33.236%0.36418%0.184SC..Hα-helixtrans-60.2-45.5177.5-179.50000113.5I257 L258 A264 S265I257-S261 VanDerWaalsContact O-CB 3.28Å; I257-S261 WeakPolarHBondContact O-CB 3.06Å; I257-S261 PolarHBondContact O-N 2.87Å; L258-S261 PolarHBondContact O-N 2.98Å; S261-A264 PolarHBondContact O-N 2.96Å; S261-S265 PolarHBondContact O-N 2.87Å; S261-S265 VanDerWaalsContact O-N 3.09Å; S261-S265 PolarHBondContact O-OG 2.86Å
262Y90.1Very high84Confident4 Ų433 Ų332%0.01618%0.183CC..Hα-helixtrans-70.3-33.6177.6-80.89.8000112.5T133 A230 L234 L258 S265 Y329 A332 L336T133-Y262 HydrophobicContact CG2-CE2 4.08Å; A230-Y262 PolarHBondContact O-OH 3.16Å; L234-Y262 HydrophobicContact CD1-CE2 4.43Å; L234-Y262 WeakPolarHBondContact CD1-OH 3.34Å; L234-Y262 HydrophobicContact CD2-CE2 4.5Å; L234-Y262 VanDerWaalsContact CG-OH 3.32Å; L234-Y262 WeakPolarHBondContact CG-OH 3.44Å; L258-Y262 HydrophobicContact CD1-CD1 4.09Å; L258-Y262 HydrophobicContact CD1-CD2 4.31Å; L258-Y262 HydrophobicContact CD1-CE1 3.83Å; L258-Y262 HydrophobicContact CD1-CE2 4.03Å; L258-Y262 HydrophobicContact CD1-CG 4.35Å; L258-Y262 WeakPolarHBondContact O-CB 3.28Å; L258-Y262 PolarHBondContact O-N 3.22Å; Y262-S265 PolarHBondContact O-N 2.88Å; Y262-Y329 AromaticContact CD1-CD1 3.88Å; Y262-Y329 HydrophobicContact CD1-CD1 3.88Å; Y262-Y329 AromaticContact CD1-CE1 3.83Å; Y262-Y329 HydrophobicContact CD1-CE1 3.83Å; Y262-Y329 HydrophobicContact CD2-CD1 4.47Å; Y262-Y329 HydrophobicContact CE1-CD1 4.17Å; Y262-Y329 AromaticContact CE1-CE1 3.89Å; Y262-Y329 HydrophobicContact CE1-CE1 3.89Å; Y262-Y329 HydrophobicContact CG-CD1 4.02Å; Y262-Y329 HydrophobicContact CG-CE1 4.44Å; Y262-A332 HydrophobicContact CD2-CB 3.97Å; Y262-A332 HydrophobicContact CE2-CB 3.71Å; Y262-L336 HydrophobicContact CD2-CD1 3.7Å; Y262-L336 HydrophobicContact CE2-CD1 4.22Å
263T86.7Confident83.2Confident0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-67.7-47.3173.6-52.90000110.6M259 E260 S265 I266 C267 V272 F275 L333M259-T263 VanDerWaalsContact O-CB 3.31Å; M259-T263 WeakPolarHBondContact O-CB 3.48Å; M259-T263 PolarHBondContact O-N 3.23Å; M259-T263 PolarHBondContact O-OG1 3.07Å; E260-T263 PolarHBondContact O-N 2.71Å; T263-S265 PolarHBondContact O-N 2.9Å; T263-I266 PolarHBondContact O-N 2.92Å; T263-I266 VanDerWaalsContact O-N 3.09Å; T263-C267 HydrophobicContact CG2-CB 4.16Å; T263-C267 WeakPolarHBondContact O-CB 3.1Å; T263-C267 PolarHBondContact O-N 2.98Å; T263-V272 HydrophobicContact CG2-CB 4.29Å; T263-V272 HydrophobicContact CG2-CG1 4.05Å; T263-V272 HydrophobicContact CG2-CG2 4.13Å; T263-F275 HydrophobicContact CG2-CB 4.01Å; T263-F275 HydrophobicContact CG2-CD1 3.69Å; T263-F275 HydrophobicContact CG2-CD2 4.33Å; T263-F275 HydrophobicContact CG2-CE1 4.23Å; T263-F275 HydrophobicContact CG2-CG 3.76Å; T263-F275 WeakPolarHBondContact OG1-CD1 3.32Å; T263-F275 WeakPolarHBondContact OG1-CE1 3.47Å; T263-L333 HydrophobicContact CG2-CD2 4.48Å; T263-L333 WeakPolarHBondContact OG1-CD1 3.21Å
264A87.3Confident82.3Confident51 Ų5138.3 Ų38.342%0.42121%0.208SC..Hα-helixtrans-61.8-24.5177.200000113.5E260 S261 I266 V272E260-A264 WeakPolarHBondContact O-CB 3.47Å; E260-A264 PolarHBondContact O-N 3.2Å; S261-A264 PolarHBondContact O-N 2.96Å; A264-I266 VanDerWaalsContact C-N 3.27Å; A264-I266 PolarHBondContact O-N 3.17Å; A264-V272 HydrophobicContact CB-CG2 4.2Å
265S89.1Confident81.7Confident5 Ų535.7 Ų35.74%0.03519%0.194CC..THydrogen-bonded Turntrans-73.6-13.2176.5-63.30000114.3S261 Y262 T263 N297S261-S265 PolarHBondContact O-N 2.87Å; S261-S265 VanDerWaalsContact O-N 3.09Å; S261-S265 PolarHBondContact O-OG 2.86Å; Y262-S265 PolarHBondContact O-N 2.88Å; T263-S265 PolarHBondContact O-N 2.9Å; S265-N297 PolarHBondContact O-N 2.87Å; S265-N297 PolarHBondContact OG-ND2 3.1Å
266I87Confident81Confident0 Ų036 Ų360%020%0.196CC..THydrogen-bonded Turntrans-135.2-6.7-178.961.5-176.5000115.4T263 A264 Y286 Q290 L291 V296 Q326 Y329 L333T263-I266 PolarHBondContact O-N 2.92Å; T263-I266 VanDerWaalsContact O-N 3.09Å; A264-I266 VanDerWaalsContact C-N 3.27Å; A264-I266 PolarHBondContact O-N 3.17Å; I266-Y286 HydrophobicContact CD1-CE2 3.8Å; I266-Y286 HydrophobicContact CG1-CE2 4.34Å; I266-Q290 WeakPolarHBondContact O-CA 3.44Å; I266-L291 PolarHBondContact O-N 3.23Å; I266-V296 HydrophobicContact CG2-CG1 4.46Å; I266-Q326 HydrophobicContact CG2-CG 4.01Å; I266-Y329 HydrophobicContact CG2-CD2 3.89Å; I266-Y329 HydrophobicContact CG2-CG 4.07Å; I266-L333 HydrophobicContact CD1-CD2 4.13Å
267C83.4Confident80Confident6 Ų642.2 Ų42.24%0.04123%0.228CC..BIsolated β-bridgetrans-125.6146.2-178.3-71.20000112.2T263 A271 V272 G289T263-C267 HydrophobicContact CG2-CB 4.16Å; T263-C267 WeakPolarHBondContact O-CB 3.1Å; T263-C267 PolarHBondContact O-N 2.98Å; C267-A271 HydrophobicContact CB-CB 4.33Å; C267-V272 HydrophobicContact CB-CG2 4.22Å; C267-G289 WeakPolarHBondContact CA-O 3.45Å
268Q78.3Confident79Confident72 Ų7242 Ų4234%0.33623%0.225SC..  trans-65.4148173.1-68.2-175.7-5.400110.2H270 A271 V272 G289 L291Q268-H270 VanDerWaalsContact C-N 3.33Å; Q268-H270 PolarHBondContact O-N 3.4Å; Q268-H270 VanDerWaalsContact O-N 3.11Å; Q268-H270 PolarHBondContact OE1-CE1 3.46Å; Q268-H270 VanDerWaalsContact OE1-CE1 3.28Å; Q268-A271 WeakPolarHBondContact O-CA 3.23Å; Q268-A271 WeakPolarHBondContact O-CB 3.38Å; Q268-A271 PolarHBondContact O-N 2.81Å; Q268-V272 PolarHBondContact O-N 3.01Å; Q268-G289 PolarHBondContact N-O 3.17Å; Q268-L291 HydrophobicContact CG-CD2 3.75Å; Q268-L291 HydrophobicContact CG-CG 4.44Å
269P76.1Confident77.6Confident99 Ų9942.4 Ų42.464%0.64323%0.228SC*.Hα-helixtrans-51.7-43.4-169.7-31.635.9000115.3A271 V272 D273P269-A271 PolarHBondContact O-N 3.23Å; P269-A271 VanDerWaalsContact O-N 3.16Å; P269-V272 WeakPolarHBondContact O-CB 3.29Å; P269-V272 PolarHBondContact O-N 3.04Å; P269-D273 PolarHBondContact O-N 2.89Å
270H72.9Confident76Confident109 Ų10948 Ų4851%0.50527%0.267SS..Hα-helixtrans-66.1-18.217973.7-97.8000114.1Q268Q268-H270 VanDerWaalsContact C-N 3.33Å; Q268-H270 PolarHBondContact O-N 3.4Å; Q268-H270 VanDerWaalsContact O-N 3.11Å; Q268-H270 PolarHBondContact OE1-CE1 3.46Å; Q268-H270 VanDerWaalsContact OE1-CE1 3.28Å
271A72Confident74.5Confident5 Ų547.1 Ų47.14%0.04127%0.266CS..Hα-helixtrans-90.6-22.3173.700000112C267 Q268 P269 F275C267-A271 HydrophobicContact CB-CB 4.33Å; Q268-A271 WeakPolarHBondContact O-CA 3.23Å; Q268-A271 WeakPolarHBondContact O-CB 3.38Å; Q268-A271 PolarHBondContact O-N 2.81Å; P269-A271 PolarHBondContact O-N 3.23Å; P269-A271 VanDerWaalsContact O-N 3.16Å; A271-F275 WeakPolarHBondContact O-CB 3.47Å; A271-F275 PolarHBondContact O-N 3.33Å
272V71.9Confident72.9Confident10 Ų1046 Ų466%0.06125%0.254CS..Hα-helixtrans-64.5-51.1168.8-173.20000109.5T263 A264 C267 Q268 P269 R274 F275 L276T263-V272 HydrophobicContact CG2-CB 4.29Å; T263-V272 HydrophobicContact CG2-CG1 4.05Å; T263-V272 HydrophobicContact CG2-CG2 4.13Å; A264-V272 HydrophobicContact CB-CG2 4.2Å; C267-V272 HydrophobicContact CB-CG2 4.22Å; Q268-V272 PolarHBondContact O-N 3.01Å; P269-V272 WeakPolarHBondContact O-CB 3.29Å; P269-V272 PolarHBondContact O-N 3.04Å; V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 PolarHBondContact O-N 3.1Å; V272-F275 WeakPolarHBondContact O-CB 3.45Å; V272-F275 PolarHBondContact O-N 3.32Å; V272-L276 HydrophobicContact CG1-CD1 4.03Å; V272-L276 HydrophobicContact CG1-CG 4.34Å; V272-L276 WeakPolarHBondContact O-CG 3.39Å; V272-L276 PolarHBondContact O-N 3.18Å
273D70.3Confident71.2Confident104 Ų10456.4 Ų56.456%0.55629%0.293SS*.Hα-helixtrans-52.7-49.1178-62-36.6000111.8P269 L276 L277P269-D273 PolarHBondContact O-N 2.89Å; D273-L276 PolarHBondContact O-N 2.77Å; D273-L277 WeakPolarHBondContact O-CG 3.49Å; D273-L277 PolarHBondContact O-N 2.83Å
274R69Low69.2Low78 Ų7862.4 Ų62.429%0.29432%0.324SS..Hα-helixtrans-65.5-37.7177.9-174.5-179.162.8-149.8-6.6112.5V272 L277 E278 A285 A288V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 PolarHBondContact O-N 3.1Å; R274-L277 PolarHBondContact O-N 3.02Å; R274-E278 WeakPolarHBondContact O-CB 3.34Å; R274-E278 PolarHBondContact O-N 3.03Å; R274-A285 PolarHBondContact NH2-O 2.78Å; R274-A288 PolarHBondContact NH2-O 3.14Å
275F72.6Confident67.4Low3 Ų360.4 Ų60.41%0.01331%0.308CS..Hα-helixtrans-64.8-42.4178.4178.8-84.4000112M259 T263 A271 V272 L277 E278 V279 Y282 L333 V337M259-F275 HydrophobicContact CG-CE1 4.09Å; M259-F275 HydrophobicContact SD-CE1 4.31Å; T263-F275 HydrophobicContact CG2-CB 4.01Å; T263-F275 HydrophobicContact CG2-CD1 3.69Å; T263-F275 HydrophobicContact CG2-CD2 4.33Å; T263-F275 HydrophobicContact CG2-CE1 4.23Å; T263-F275 HydrophobicContact CG2-CG 3.76Å; T263-F275 WeakPolarHBondContact OG1-CD1 3.32Å; T263-F275 WeakPolarHBondContact OG1-CE1 3.47Å; A271-F275 WeakPolarHBondContact O-CB 3.47Å; A271-F275 PolarHBondContact O-N 3.33Å; V272-F275 WeakPolarHBondContact O-CB 3.45Å; V272-F275 PolarHBondContact O-N 3.32Å; F275-L277 VanDerWaalsContact C-N 3.31Å; F275-L277 PolarHBondContact O-N 2.98Å; F275-E278 CarbonylContact O-C 3.48Å; F275-E278 PolarHBondContact O-N 2.96Å; F275-V279 WeakPolarHBondContact O-CG2 3.38Å; F275-V279 PolarHBondContact O-N 3.31Å; F275-V279 VanDerWaalsContact O-N 3.12Å; F275-Y282 AromaticContact CE2-CD2 3.37Å; F275-Y282 HydrophobicContact CE2-CD2 3.37Å; F275-Y282 AromaticContact CE2-CE2 3.54Å; F275-Y282 HydrophobicContact CE2-CE2 3.54Å; F275-Y282 AromaticContact CZ-CD2 3.56Å; F275-Y282 HydrophobicContact CZ-CD2 3.56Å; F275-Y282 AromaticContact CZ-CE2 3.65Å; F275-Y282 HydrophobicContact CZ-CE2 3.65Å; F275-L333 HydrophobicContact CE1-CD1 4.07Å; F275-L333 HydrophobicContact CE1-CD2 4.19Å; F275-L333 HydrophobicContact CE1-CG 4.36Å; F275-L333 HydrophobicContact CE2-CD2 4.07Å; F275-L333 HydrophobicContact CZ-CD1 4.02Å; F275-L333 HydrophobicContact CZ-CD2 3.63Å; F275-L333 HydrophobicContact CZ-CG 3.81Å; F275-V337 HydrophobicContact CE1-CG2 4.43Å; F275-V337 HydrophobicContact CZ-CG2 4.03Å
276L71.3Confident65.7Low6 Ų661.4 Ų61.43%0.03131%0.311CS..Hα-helixtrans-69.9-27.3177.8-61.4177.1000112.5M259 E260 V272 D273 V279 D346M259-L276 HydrophobicContact CE-CD2 3.84Å; M259-L276 HydrophobicContact CG-CD2 4.24Å; E260-L276 HydrophobicContact CB-CD1 4.14Å; E260-L276 HydrophobicContact CB-CD2 4.5Å; E260-L276 HydrophobicContact CG-CD1 4.01Å; V272-L276 HydrophobicContact CG1-CD1 4.03Å; V272-L276 HydrophobicContact CG1-CG 4.34Å; V272-L276 WeakPolarHBondContact O-CG 3.39Å; V272-L276 PolarHBondContact O-N 3.18Å; D273-L276 PolarHBondContact O-N 2.77Å; L276-V279 WeakPolarHBondContact O-CG2 3.02Å; L276-D346 HydrophobicContact CB-CB 4.07Å; L276-D346 HydrophobicContact CD2-CB 4.34Å; L276-D346 WeakPolarHBondContact O-CB 3.48Å
277L66.3Low64.2Low131 Ų13172.1 Ų72.169%0.68635%0.351SS*.Hα-helixtrans-76.4-34.1171.3-69.6169.1000113.1D273 R274 F275D273-L277 WeakPolarHBondContact O-CG 3.49Å; D273-L277 PolarHBondContact O-N 2.83Å; R274-L277 PolarHBondContact O-N 3.02Å; F275-L277 VanDerWaalsContact C-N 3.31Å; F275-L277 PolarHBondContact O-N 2.98Å
278E64.1Low62.6Low77 Ų7774.7 Ų74.736%0.3637%0.373SS..  trans-113.338-174.8-60.1-176.5-146.800113.7R274 F275 S280 T281R274-E278 WeakPolarHBondContact O-CB 3.34Å; R274-E278 PolarHBondContact O-N 3.03Å; F275-E278 CarbonylContact O-C 3.48Å; F275-E278 PolarHBondContact O-N 2.96Å; E278-S280 PolarHBondContact O-N 2.99Å; E278-T281 HydrophobicContact CB-CG2 4.38Å; E278-T281 WeakPolarHBondContact CB-OG1 3.28Å; E278-T281 PolarHBondContact O-N 2.91Å; E278-T281 PolarHBondContact O-OG1 3.1Å; E278-T281 PolarHBondContact OE2-OG1 3.21Å; E278-T281 VanDerWaalsContact OE2-OG1 3.09Å
279V60.7Low61.9Low16 Ų1671.9 Ų71.910%0.09736%0.364CS..G310 helixtrans-51.6-35.7-177.7177.60000112.6M259 F275 L276 T281 Y282 V337 D346M259-V279 HydrophobicContact CE-CG2 4.04Å; M259-V279 HydrophobicContact SD-CG1 4.37Å; M259-V279 HydrophobicContact SD-CG2 4.32Å; F275-V279 WeakPolarHBondContact O-CG2 3.38Å; F275-V279 PolarHBondContact O-N 3.31Å; F275-V279 VanDerWaalsContact O-N 3.12Å; L276-V279 WeakPolarHBondContact O-CG2 3.02Å; V279-T281 PolarHBondContact O-N 3.45Å; V279-Y282 PolarHBondContact O-N 3.09Å; V279-V337 HydrophobicContact CG1-CG1 3.82Å; V279-V337 HydrophobicContact CG1-CG2 4.16Å; V279-D346 HydrophobicContact CG2-CB 4.41Å
280S53Low61.8Low118 Ų11869.9 Ų69.983%0.82535%0.346SS*.G310 helixtrans-66-15176.657.20000114.9E278E278-S280 PolarHBondContact O-N 2.99Å
281T53.2Low62.1Low43 Ų4366 Ų6626%0.26433%0.328SS..G310 helixtrans-108.311.7-179.782.70000113.6E278 V279 R283 I284E278-T281 HydrophobicContact CB-CG2 4.38Å; E278-T281 WeakPolarHBondContact CB-OG1 3.28Å; E278-T281 PolarHBondContact O-N 2.91Å; E278-T281 PolarHBondContact O-OG1 3.1Å; E278-T281 PolarHBondContact OE2-OG1 3.21Å; E278-T281 VanDerWaalsContact OE2-OG1 3.09Å; V279-T281 PolarHBondContact O-N 3.45Å; T281-R283 PolarHBondContact O-N 3.25Å; T281-I284 WeakPolarHBondContact O-CB 3.42Å; T281-I284 PolarHBondContact O-N 2.83Å
282Y56.3Low62.5Low28 Ų2868.3 Ų68.311%0.1134%0.343CS..Hα-helixtrans-14.7-54.6-178.7-175.7-107.8000117.2F275 V279 I284 Y286 R330 L333 Q334 V337F275-Y282 AromaticContact CE2-CD2 3.37Å; F275-Y282 HydrophobicContact CE2-CD2 3.37Å; F275-Y282 AromaticContact CE2-CE2 3.54Å; F275-Y282 HydrophobicContact CE2-CE2 3.54Å; F275-Y282 AromaticContact CZ-CD2 3.56Å; F275-Y282 HydrophobicContact CZ-CD2 3.56Å; F275-Y282 AromaticContact CZ-CE2 3.65Å; F275-Y282 HydrophobicContact CZ-CE2 3.65Å; V279-Y282 PolarHBondContact O-N 3.09Å; Y282-I284 VanDerWaalsContact C-N 3.26Å; Y282-I284 PolarHBondContact O-N 3.21Å; Y282-Y286 WeakPolarHBondContact O-CB 3.41Å; Y282-R330 PolarHBondContact OH-O 2.92Å; Y282-L333 HydrophobicContact CE2-CD2 4.27Å; Y282-L333 HydrophobicContact CE2-CG 4.11Å; Y282-Q334 HydrophobicContact CD1-CG 4.47Å; Y282-Q334 HydrophobicContact CE1-CB 3.78Å; Y282-Q334 HydrophobicContact CE1-CG 3.8Å; Y282-Q334 PolarHBondContact OH-N 3.06Å; Y282-V337 HydrophobicContact CD2-CB 4.42Å; Y282-V337 HydrophobicContact CD2-CG1 4.4Å; Y282-V337 HydrophobicContact CD2-CG2 4.1Å; Y282-V337 HydrophobicContact CE2-CG2 4.44Å; Y282-V337 HydrophobicContact CG-CG1 4.47Å
283R53.4Low62.8Low223 Ų22370 Ų7084%0.84235%0.354SS*.Hα-helixtrans-66.6-17-177.3-53-178.377.9179.95.8115T281T281-R283 PolarHBondContact O-N 3.25Å
284I45.3Very low63.2Low127 Ų12770.6 Ų70.665%0.65136%0.361SS*.Hα-helixtrans-98.8-57.8-175.1-58.4179.9000110.4T281 Y282 Y286 R287T281-I284 WeakPolarHBondContact O-CB 3.42Å; T281-I284 PolarHBondContact O-N 2.83Å; Y282-I284 VanDerWaalsContact C-N 3.26Å; Y282-I284 PolarHBondContact O-N 3.21Å; I284-Y286 PolarHBondContact O-N 3.47Å; I284-Y286 VanDerWaalsContact O-N 3.13Å; I284-R287 PolarHBondContact O-N 3.19Å
285A49.7Very low63.9Low9 Ų972.1 Ų72.17%0.07437%0.371CS..Hα-helixtrans-57.3-31.5-17700000113.5R274 R287 A288R274-A285 PolarHBondContact NH2-O 2.78Å; A285-R287 VanDerWaalsContact C-N 3.32Å; A285-R287 PolarHBondContact O-N 2.97Å; A285-A288 PolarHBondContact O-N 3.32Å
286Y52.8Low64.6Low25 Ų2572.4 Ų72.410%0.09837%0.373CS..THydrogen-bonded Turntrans-65.9-22-173.6-168.7-103.6000115.2I266 Y282 I284 Q290 R330I266-Y286 HydrophobicContact CD1-CE2 3.8Å; I266-Y286 HydrophobicContact CG1-CE2 4.34Å; Y282-Y286 WeakPolarHBondContact O-CB 3.41Å; I284-Y286 PolarHBondContact O-N 3.47Å; I284-Y286 VanDerWaalsContact O-N 3.13Å; Y286-Q290 HydrophobicContact CE1-CG 4.08Å; Y286-Q290 HydrophobicContact CE2-CG 4.08Å; Y286-Q290 VanDerWaalsContact CZ-CD 3.46Å; Y286-Q290 PolarHBondContact O-NE2 3.35Å; Y286-Q290 PolarHBondContact OH-OE1 3.39Å; Y286-R330 HydrophobicContact CE1-CG 4.32Å; Y286-R330 VanDerWaalsContact CE1-NE 3.31Å; Y286-R330 VanDerWaalsContact OH-CZ 3.3Å; Y286-R330 PolarHBondContact OH-NE 3.14Å; Y286-R330 PolarHBondContact OH-NH2 3.32Å
287R54.9Low65.5Low225 Ų22575.1 Ų75.185%0.84939%0.388SS*.THydrogen-bonded Turntrans-81.2-14-178-76.1-172174.3-171.9-1.5114.9I284 A285I284-R287 PolarHBondContact O-N 3.19Å; A285-R287 VanDerWaalsContact C-N 3.32Å; A285-R287 PolarHBondContact O-N 2.97Å
288A49.5Very low66.6Low61 Ų6169.3 Ų69.350%0.50436%0.358SS..SBendtrans-121.147.1-167.100000113.3R274 A285R274-A288 PolarHBondContact NH2-O 3.14Å; A285-A288 PolarHBondContact O-N 3.32Å
289G64.4Low67.9Low13 Ų1366 Ų6613%0.13434%0.344CS..SBendtrans163.626.2178.200000117.1C267 Q268C267-G289 WeakPolarHBondContact CA-O 3.45Å; Q268-G289 PolarHBondContact N-O 3.17Å
290Q74.6Confident69.1Low57 Ų5770.1 Ų70.127%0.26637%0.37SS..BIsolated β-bridgetrans-68.9150.3173-83.1166.47600111.6I266 Y286I266-Q290 WeakPolarHBondContact O-CA 3.44Å; Y286-Q290 HydrophobicContact CE1-CG 4.08Å; Y286-Q290 HydrophobicContact CE2-CG 4.08Å; Y286-Q290 VanDerWaalsContact CZ-CD 3.46Å; Y286-Q290 PolarHBondContact O-NE2 3.35Å; Y286-Q290 PolarHBondContact OH-OE1 3.39Å
291L78.3Confident70.8Confident26 Ų2669.8 Ų69.814%0.13635%0.35CS..PPolyproline II helixtrans-68.2147166.9-70.6166.9000110.5I266 Q268 E295 Q326I266-L291 PolarHBondContact O-N 3.23Å; Q268-L291 HydrophobicContact CG-CD2 3.75Å; Q268-L291 HydrophobicContact CG-CG 4.44Å; L291-E295 HydrophobicContact CB-CB 4.22Å; L291-E295 HydrophobicContact CD2-CB 4.22Å; L291-Q326 PolarHBondContact O-NE2 3.15Å
292P80.9Confident72.6Confident54 Ų5467.8 Ų67.835%0.35134%0.338SS..PPolyproline II helixtrans-49.3147.2160.2-26.736.5000111.2T294 E295P292-T294 PolarHBondContact O-N 3.33Å; P292-T294 VanDerWaalsContact O-N 3.1Å; P292-E295 HydrophobicContact CB-CB 4.48Å; P292-E295 HydrophobicContact CB-CG 4.3Å; P292-E295 WeakPolarHBondContact CD-OE2 3.49Å; P292-E295 HydrophobicContact CG-CG 4.39Å; P292-E295 PolarHBondContact O-N 2.97Å
293V79.3Confident74.2Confident47 Ų4768.9 Ų68.929%0.28535%0.35SS..G310 helixtrans-58.1-28.1179.6173.80000111.9E295 L322 K323V293-E295 VanDerWaalsContact C-N 3.29Å; V293-E295 PolarHBondContact O-N 3.27Å; V293-L322 HydrophobicContact CG1-CB 3.6Å; V293-K323 HydrophobicContact CG1-CG 3.86Å; V293-K323 HydrophobicContact CG2-CG 4.46Å
294T78.4Confident75.9Confident115 Ų11563 Ų6371%0.70634%0.335SS*.G310 helixtrans-72.8-12.4174.846.90000115.1P292P292-T294 PolarHBondContact O-N 3.33Å; P292-T294 VanDerWaalsContact O-N 3.1Å
295E82.8Confident78Confident111 Ų11157.5 Ų57.552%0.51931%0.306SS..G310 helixtrans-112.34.4-175.7-68173.3-15400112.7L291 P292 V293 N297L291-E295 HydrophobicContact CB-CB 4.22Å; L291-E295 HydrophobicContact CD2-CB 4.22Å; P292-E295 HydrophobicContact CB-CB 4.48Å; P292-E295 HydrophobicContact CB-CG 4.3Å; P292-E295 WeakPolarHBondContact CD-OE2 3.49Å; P292-E295 HydrophobicContact CG-CG 4.39Å; P292-E295 PolarHBondContact O-N 2.97Å; V293-E295 VanDerWaalsContact C-N 3.29Å; V293-E295 PolarHBondContact O-N 3.27Å; E295-N297 PolarHBondContact O-N 3.25Å
296V87.4Confident79.9Confident8 Ų858.7 Ų58.75%0.04831%0.311CS..  trans-62.3130.1177.1175.10000110I266 V298 A325 Q326 Y329I266-V296 HydrophobicContact CG2-CG1 4.46Å; V296-V298 PolarHBondContact O-N 3.12Å; V296-A325 HydrophobicContact CG1-CB 4.16Å; V296-Q326 HydrophobicContact CG2-CB 3.99Å; V296-Q326 HydrophobicContact CG2-CG 3.99Å; V296-Y329 HydrophobicContact CG1-CD2 4.28Å; V296-Y329 HydrophobicContact CG1-CE2 4.34Å
297N89.6Confident81.4Confident64 Ų6464 Ų6434%0.34234%0.34SS..  trans-70.3104.7-179.3172.434.7000110.9H229 S265 E295 G299 Y329H229-N297 PolarHBondContact NE2-ND2 2.99Å; S265-N297 PolarHBondContact O-N 2.87Å; S265-N297 PolarHBondContact OG-ND2 3.1Å; E295-N297 PolarHBondContact O-N 3.25Å; N297-G299 PolarHBondContact OD1-N 3.32Å; N297-G299 VanDerWaalsContact OD1-N 3.08Å; N297-Y329 WeakPolarHBondContact O-CE2 3.15Å; N297-Y329 PolarHBondContact O-OH 2.92Å
298V91.1Very high82.9Confident8 Ų856.5 Ų56.55%0.04833%0.326CS..  trans-95.5-1.2175.6-65.10000113.9F226 V296 A302 M306 F321 L322 A325F226-V298 HydrophobicContact CD2-CB 3.91Å; F226-V298 HydrophobicContact CD2-CG1 4.08Å; F226-V298 HydrophobicContact CE2-CB 4.48Å; F226-V298 HydrophobicContact CE2-CG1 4.37Å; V296-V298 PolarHBondContact O-N 3.12Å; V298-A302 HydrophobicContact CB-CB 3.98Å; V298-A302 HydrophobicContact CG2-CB 3.98Å; V298-A302 VanDerWaalsContact O-CB 3.31Å; V298-A302 WeakPolarHBondContact O-CB 3.29Å; V298-M306 HydrophobicContact CG2-SD 3.86Å; V298-F321 HydrophobicContact CB-CE1 4.4Å; V298-F321 HydrophobicContact CB-CZ 4.22Å; V298-F321 HydrophobicContact CG1-CE1 3.83Å; V298-F321 HydrophobicContact CG1-CZ 3.85Å; V298-L322 HydrophobicContact CG1-CD2 3.81Å; V298-A325 HydrophobicContact CG1-CB 4.1Å
299G89.6Confident84.5Confident7 Ų757.2 Ų57.27%0.07232%0.318CS..  trans77.5157.7-172.400000114H229 N297 R301 A302 S303H229-G299 WeakPolarHBondContact CD2-CA 3.23Å; H229-G299 PolarHBondContact CD2-N 2.89Å; N297-G299 PolarHBondContact OD1-N 3.32Å; N297-G299 VanDerWaalsContact OD1-N 3.08Å; G299-R301 PolarHBondContact O-N 3.04Å; G299-A302 PolarHBondContact O-N 3.11Å; G299-S303 WeakPolarHBondContact O-CB 3.4Å; G299-S303 PolarHBondContact O-N 3.26Å
300T87.4Confident85.1Confident104 Ų10457.2 Ų57.264%0.63832%0.318SS*.Hα-helixtrans-57.3-52.7-17450.60000112.6A302 S303 D304T300-A302 PolarHBondContact O-N 2.9Å; T300-A302 VanDerWaalsContact O-N 3.12Å; T300-S303 PolarHBondContact O-N 3.36Å; T300-D304 WeakPolarHBondContact O-CB 3.31Å; T300-D304 VanDerWaalsContact O-CG 3.26Å; T300-D304 PolarHBondContact O-N 2.71Å
301R87.9Confident85.2Confident111 Ų11160.4 Ų60.442%0.41934%0.344SS..Hα-helixtrans-56.4-32.6-177.7-63.5-179.369.7-153.42.9113.9A191 L225 S228 G299 F305A191-R301 PolarHBondContact O-NH2 3.28Å; L225-R301 HydrophobicContact CD2-CB 4.38Å; S228-R301 PolarHBondContact OG-NH1 3.38Å; S228-R301 VanDerWaalsContact OG-NH1 3.08Å; G299-R301 PolarHBondContact O-N 3.04Å; R301-F305 WeakPolarHBondContact O-CB 3.44Å
302A90.9Very high85.1Confident1 Ų163.6 Ų63.61%0.00837%0.368CS..Hα-helixtrans-80.3-43.8175.200000111.2L222 L225 F226 V298 G299 T300 F305 M306L222-A302 HydrophobicContact CD1-CB 3.77Å; L225-A302 HydrophobicContact CB-CB 4.43Å; F226-A302 HydrophobicContact CB-CB 4.35Å; V298-A302 HydrophobicContact CB-CB 3.98Å; V298-A302 HydrophobicContact CG2-CB 3.98Å; V298-A302 VanDerWaalsContact O-CB 3.31Å; V298-A302 WeakPolarHBondContact O-CB 3.29Å; G299-A302 PolarHBondContact O-N 3.11Å; T300-A302 PolarHBondContact O-N 2.9Å; T300-A302 VanDerWaalsContact O-N 3.12Å; A302-F305 WeakPolarHBondContact O-CB 3.34Å; A302-F305 PolarHBondContact O-N 3.07Å; A302-M306 VanDerWaalsContact O-CG 3.25Å; A302-M306 WeakPolarHBondContact O-CG 3.33Å; A302-M306 PolarHBondContact O-N 2.85Å
303S89.2Confident85.1Confident50 Ų5061.7 Ų61.735%0.3536%0.355SS..Hα-helixtrans-59.6-47.2176.9-168.50000112.6G299 T300 F305 M306 L307G299-S303 WeakPolarHBondContact O-CB 3.4Å; G299-S303 PolarHBondContact O-N 3.26Å; T300-S303 PolarHBondContact O-N 3.36Å; S303-F305 VanDerWaalsContact C-N 3.26Å; S303-F305 PolarHBondContact O-N 3.24Å; S303-M306 WeakPolarHBondContact O-CB 3.31Å; S303-M306 PolarHBondContact O-N 3.41Å; S303-M306 VanDerWaalsContact O-N 3.15Å; S303-L307 WeakPolarHBondContact O-CG 3.38Å; S303-L307 PolarHBondContact O-N 3.37Å
304D89.6Confident85.3Confident99 Ų9960.9 Ų60.953%0.52936%0.356SS..Hα-helixtrans-59.6-38175.6-63.8-34.4000111.4T300 L307 A308T300-D304 WeakPolarHBondContact O-CB 3.31Å; T300-D304 VanDerWaalsContact O-CG 3.26Å; T300-D304 PolarHBondContact O-N 2.71Å; D304-L307 PolarHBondContact O-N 3.37Å; D304-A308 WeakPolarHBondContact O-CB 3.28Å; D304-A308 PolarHBondContact O-N 2.84Å
305F89.4Confident85.5Confident13 Ų1363.6 Ų63.66%0.05736%0.361CS..Hα-helixtrans-70.1-39.5176.2-168-93.9000112.2D218 R221 L222 L225 R301 A302 S303 L307 A308 F309 L313D218-F305 HydrophobicContact CB-CE1 4.16Å; D218-F305 HydrophobicContact CB-CZ 3.82Å; D218-F305 WeakPolarHBondContact O-CE1 3.49Å; D218-F305 WeakPolarHBondContact OD1-CZ 3.29Å; R221-F305 HydrophobicContact CG-CZ 4.36Å; L222-F305 HydrophobicContact CB-CD1 3.94Å; L222-F305 HydrophobicContact CB-CE1 4.09Å; L222-F305 HydrophobicContact CD1-CD1 4.11Å; L222-F305 HydrophobicContact CG-CD1 4.47Å; L225-F305 HydrophobicContact CD1-CB 3.81Å; L225-F305 HydrophobicContact CD1-CD1 4.32Å; L225-F305 HydrophobicContact CD1-CD2 3.82Å; L225-F305 HydrophobicContact CD1-CG 3.71Å; R301-F305 WeakPolarHBondContact O-CB 3.44Å; A302-F305 WeakPolarHBondContact O-CB 3.34Å; A302-F305 PolarHBondContact O-N 3.07Å; S303-F305 VanDerWaalsContact C-N 3.26Å; S303-F305 PolarHBondContact O-N 3.24Å; F305-L307 VanDerWaalsContact C-N 3.33Å; F305-A308 PolarHBondContact O-N 2.89Å; F305-F309 HydrophobicContact CD1-CB 4.49Å; F305-F309 HydrophobicContact CD1-CD2 4.36Å; F305-F309 AromaticContact CD2-CD2 3.52Å; F305-F309 HydrophobicContact CD2-CD2 3.52Å; F305-F309 AromaticContact CD2-CE2 3.83Å; F305-F309 HydrophobicContact CD2-CE2 3.83Å; F305-F309 HydrophobicContact CE1-CB 4.16Å; F305-F309 HydrophobicContact CE1-CD2 4.25Å; F305-F309 HydrophobicContact CE1-CG 4.41Å; F305-F309 AromaticContact CE2-CD2 3.36Å; F305-F309 HydrophobicContact CE2-CD2 3.36Å; F305-F309 AromaticContact CE2-CE2 3.61Å; F305-F309 HydrophobicContact CE2-CE2 3.61Å; F305-F309 HydrophobicContact CE2-CG 4.07Å; F305-F309 HydrophobicContact CE2-CZ 4.47Å; F305-F309 HydrophobicContact CG-CD2 4.03Å; F305-F309 HydrophobicContact CZ-CB 4.25Å; F305-F309 AromaticContact CZ-CD2 3.76Å; F305-F309 HydrophobicContact CZ-CD2 3.76Å; F305-F309 HydrophobicContact CZ-CE2 4.36Å; F305-F309 HydrophobicContact CZ-CG 4.02Å; F305-F309 WeakPolarHBondContact O-CB 3.34Å; F305-F309 PolarHBondContact O-N 3.27Å; F305-L313 HydrophobicContact CD1-CD1 4.42Å; F305-L313 HydrophobicContact CE1-CD1 4.23Å
306M88.9Confident85.5Confident33 Ų3365.9 Ų65.916%0.16337%0.372CS..Hα-helixtrans-64.3-37172.9-67.1163.559.600112L222 V298 A302 S303 G310 L318 F321 L322L222-M306 HydrophobicContact CD1-CG 3.75Å; L222-M306 HydrophobicContact CD1-SD 4.28Å; L222-M306 HydrophobicContact CD2-CG 3.75Å; L222-M306 HydrophobicContact CG-CG 4.43Å; V298-M306 HydrophobicContact CG2-SD 3.86Å; A302-M306 VanDerWaalsContact O-CG 3.25Å; A302-M306 WeakPolarHBondContact O-CG 3.33Å; A302-M306 PolarHBondContact O-N 2.85Å; S303-M306 WeakPolarHBondContact O-CB 3.31Å; S303-M306 PolarHBondContact O-N 3.41Å; S303-M306 VanDerWaalsContact O-N 3.15Å; M306-G310 WeakPolarHBondContact O-CA 3.27Å; M306-G310 PolarHBondContact O-N 3Å; M306-L318 HydrophobicContact CB-CD1 4.07Å; M306-L318 HydrophobicContact CE-CD1 3.64Å; M306-L318 HydrophobicContact CE-CG 4.16Å; M306-L318 HydrophobicContact CG-CD1 3.64Å; M306-L318 HydrophobicContact SD-CD1 4.25Å; M306-F321 HydrophobicContact SD-CD1 4.35Å; M306-F321 HydrophobicContact SD-CE1 3.69Å; M306-L322 HydrophobicContact CE-CD1 4.08Å; M306-L322 HydrophobicContact CE-CD2 4Å; M306-L322 HydrophobicContact CE-CG 4.23Å
307L85.1Confident85.3Confident137 Ų13768.9 Ų68.972%0.71739%0.388SS*.Hα-helixtrans-69.6-38.2175.7-70.9170.5000112.2S303 D304 F305S303-L307 WeakPolarHBondContact O-CG 3.38Å; S303-L307 PolarHBondContact O-N 3.37Å; D304-L307 PolarHBondContact O-N 3.37Å; F305-L307 VanDerWaalsContact C-N 3.33Å
308A85.7Confident85.3Confident67 Ų6767.8 Ų67.855%0.55438%0.381SS*.Hα-helixtrans-80.1-36.1-179.700000114.1D304 F305D304-A308 WeakPolarHBondContact O-CB 3.28Å; D304-A308 PolarHBondContact O-N 2.84Å; F305-A308 PolarHBondContact O-N 2.89Å
309F83.9Confident85.1Confident76 Ų7669.5 Ų69.533%0.33340%0.397SS..Hα-helixtrans-119.83.7-171.5-62.3-83000114.3F305 S312 L313F305-F309 HydrophobicContact CD1-CB 4.49Å; F305-F309 HydrophobicContact CD1-CD2 4.36Å; F305-F309 AromaticContact CD2-CD2 3.52Å; F305-F309 HydrophobicContact CD2-CD2 3.52Å; F305-F309 AromaticContact CD2-CE2 3.83Å; F305-F309 HydrophobicContact CD2-CE2 3.83Å; F305-F309 HydrophobicContact CE1-CB 4.16Å; F305-F309 HydrophobicContact CE1-CD2 4.25Å; F305-F309 HydrophobicContact CE1-CG 4.41Å; F305-F309 AromaticContact CE2-CD2 3.36Å; F305-F309 HydrophobicContact CE2-CD2 3.36Å; F305-F309 AromaticContact CE2-CE2 3.61Å; F305-F309 HydrophobicContact CE2-CE2 3.61Å; F305-F309 HydrophobicContact CE2-CG 4.07Å; F305-F309 HydrophobicContact CE2-CZ 4.47Å; F305-F309 HydrophobicContact CG-CD2 4.03Å; F305-F309 HydrophobicContact CZ-CB 4.25Å; F305-F309 AromaticContact CZ-CD2 3.76Å; F305-F309 HydrophobicContact CZ-CD2 3.76Å; F305-F309 HydrophobicContact CZ-CE2 4.36Å; F305-F309 HydrophobicContact CZ-CG 4.02Å; F305-F309 WeakPolarHBondContact O-CB 3.34Å; F305-F309 PolarHBondContact O-N 3.27Å; F309-S312 PolarHBondContact O-N 3.45Å; F309-S312 PolarHBondContact O-OG 2.93Å; F309-L313 HydrophobicContact CB-CD1 4.29Å; F309-L313 HydrophobicContact CB-CG 4.48Å; F309-L313 WeakPolarHBondContact O-CG 3.39Å; F309-L313 PolarHBondContact O-N 2.89Å
310G76.4Confident85.1Confident14 Ų1475.2 Ų75.214%0.14442%0.416CS..Hα-helixtrans-49.1-47.1177.200000114.9M306 S312 L313 G314M306-G310 WeakPolarHBondContact O-CA 3.27Å; M306-G310 PolarHBondContact O-N 3Å; G310-S312 VanDerWaalsContact C-N 3.28Å; G310-S312 PolarHBondContact O-N 2.82Å; G310-L313 PolarHBondContact O-N 3.37Å; G310-G314 PolarHBondContact O-N 3.14Å; G310-G314 VanDerWaalsContact O-N 3.08Å
311P77.8Confident85.4Confident124 Ų12470.8 Ų70.881%0.80539%0.388SS*.Hα-helixtrans-60.6-32.8177.3-2635.9000114.2
312S76.4Confident85.6Confident92 Ų9266 Ų6664%0.64337%0.371SS*.Hα-helixtrans-84-25.6177.339.70000113.8F309 G310F309-S312 PolarHBondContact O-N 3.45Å; F309-S312 PolarHBondContact O-OG 2.93Å; G310-S312 VanDerWaalsContact C-N 3.28Å; G310-S312 PolarHBondContact O-N 2.82Å
313L81.2Confident85.6Confident15 Ų1572 Ų728%0.07940%0.396CS..Hα-helixtrans-76.6-34.3176.4-70.9166.5000112.3D218 A219 L222 F305 F309 G310 N317D218-L313 HydrophobicContact CB-CD2 4.18Å; A219-L313 HydrophobicContact CB-CD2 3.98Å; L222-L313 HydrophobicContact CD2-CD1 3.98Å; F305-L313 HydrophobicContact CD1-CD1 4.42Å; F305-L313 HydrophobicContact CE1-CD1 4.23Å; F309-L313 HydrophobicContact CB-CD1 4.29Å; F309-L313 HydrophobicContact CB-CG 4.48Å; F309-L313 WeakPolarHBondContact O-CG 3.39Å; F309-L313 PolarHBondContact O-N 2.89Å; G310-L313 PolarHBondContact O-N 3.37Å; L313-N317 WeakPolarHBondContact O-CB 3.41Å; L313-N317 PolarHBondContact O-ND2 3.17Å
314G83Confident85.8Confident30 Ų3071.4 Ų71.431%0.30939%0.389SS..  trans81.4140.1-17900000113.7G310 Q316 N317 L318G310-G314 PolarHBondContact O-N 3.14Å; G310-G314 VanDerWaalsContact O-N 3.08Å; G314-Q316 VanDerWaalsContact C-N 3.28Å; G314-Q316 PolarHBondContact O-N 3.17Å; G314-Q316 VanDerWaalsContact O-N 3.16Å; G314-N317 PolarHBondContact O-N 3.31Å; G314-L318 PolarHBondContact O-N 3.14Å; G314-L318 VanDerWaalsContact O-N 3.13Å
315E82Confident86Confident172 Ų17266.7 Ų66.780%0.80436%0.364SS*.Hα-helixtrans-55.6-38.1-171-60.6-176.8159.600113.8N317 L318 A319E315-N317 PolarHBondContact O-N 3.28Å; E315-L318 PolarHBondContact O-N 3.24Å; E315-A319 VanDerWaalsContact O-CB 3.23Å; E315-A319 WeakPolarHBondContact O-CB 3.07Å; E315-A319 PolarHBondContact O-N 2.96Å
316Q83.1Confident86.1Confident159 Ų15966.9 Ų66.974%0.74337%0.365SS*.Hα-helixtrans-67.1-34.3-179.4-63.5-171.811.900113.1G314 R320G314-Q316 VanDerWaalsContact C-N 3.28Å; G314-Q316 PolarHBondContact O-N 3.17Å; G314-Q316 VanDerWaalsContact O-N 3.16Å; Q316-R320 WeakPolarHBondContact O-CB 3.33Å; Q316-R320 PolarHBondContact O-N 2.8Å; Q316-R320 VanDerWaalsContact O-N 3.12Å
317N83.9Confident86.2Confident71 Ų7166.6 Ų66.638%0.3837%0.368SS..Hα-helixtrans-76.8-40.4177.4-65.1-33.2000110.4L313 G314 E315 A319 R320 F321L313-N317 WeakPolarHBondContact O-CB 3.41Å; L313-N317 PolarHBondContact O-ND2 3.17Å; G314-N317 PolarHBondContact O-N 3.31Å; E315-N317 PolarHBondContact O-N 3.28Å; N317-A319 PolarHBondContact O-N 2.98Å; N317-R320 WeakPolarHBondContact O-CB 3.43Å; N317-R320 PolarHBondContact O-N 3.37Å; N317-R320 VanDerWaalsContact O-N 3.15Å; N317-R320 PolarHBondContact OD1-NH1 2.92Å; N317-F321 WeakPolarHBondContact O-CB 3.37Å; N317-F321 PolarHBondContact O-N 3.41Å
318L87.8Confident86.6Confident40 Ų4060.1 Ų60.121%0.20933%0.334CS..Hα-helixtrans-59.3-45.7174-163.169.1000111.7L222 M306 G314 E315 R320 F321 L322L222-L318 HydrophobicContact CD2-CD1 4.33Å; M306-L318 HydrophobicContact CB-CD1 4.07Å; M306-L318 HydrophobicContact CE-CD1 3.64Å; M306-L318 HydrophobicContact CE-CG 4.16Å; M306-L318 HydrophobicContact CG-CD1 3.64Å; M306-L318 HydrophobicContact SD-CD1 4.25Å; G314-L318 PolarHBondContact O-N 3.14Å; G314-L318 VanDerWaalsContact O-N 3.13Å; E315-L318 PolarHBondContact O-N 3.24Å; L318-R320 VanDerWaalsContact C-N 3.29Å; L318-R320 PolarHBondContact O-N 2.71Å; L318-F321 PolarHBondContact O-N 3.14Å; L318-L322 WeakPolarHBondContact O-CG 3.35Å; L318-L322 PolarHBondContact O-N 3.42Å
319A87.3Confident86.9Confident45 Ų4557 Ų5737%0.37231%0.308SS..Hα-helixtrans-72.9-16.3176.900000114.1E315 N317 K323E315-A319 VanDerWaalsContact O-CB 3.23Å; E315-A319 WeakPolarHBondContact O-CB 3.07Å; E315-A319 PolarHBondContact O-N 2.96Å; N317-A319 PolarHBondContact O-N 2.98Å; A319-K323 WeakPolarHBondContact O-CD 3.4Å; A319-K323 WeakPolarHBondContact O-CG 3.46Å
320R89.5Confident87.1Confident127 Ų12757 Ų5748%0.47931%0.306SS..Hα-helixtrans-79-56.1168.5-167-176.1-60.2105.43.8109.7Q316 N317 L318 L322 K323 D324Q316-R320 WeakPolarHBondContact O-CB 3.33Å; Q316-R320 PolarHBondContact O-N 2.8Å; Q316-R320 VanDerWaalsContact O-N 3.12Å; N317-R320 WeakPolarHBondContact O-CB 3.43Å; N317-R320 PolarHBondContact O-N 3.37Å; N317-R320 VanDerWaalsContact O-N 3.15Å; N317-R320 PolarHBondContact OD1-NH1 2.92Å; L318-R320 VanDerWaalsContact C-N 3.29Å; L318-R320 PolarHBondContact O-N 2.71Å; R320-L322 VanDerWaalsContact C-N 3.26Å; R320-L322 PolarHBondContact O-N 3.07Å; R320-L322 VanDerWaalsContact O-N 3.15Å; R320-K323 WeakPolarHBondContact O-CA 3.42Å; R320-K323 WeakPolarHBondContact O-CB 3.27Å; R320-K323 PolarHBondContact O-N 2.93Å; R320-D324 PolarHBondContact O-N 3.13Å
321F93.7Very high87.8Confident10 Ų1057.2 Ų57.24%0.04431%0.307CS..Hα-helixtrans-50.4-41.8177.4161-102.3000113.3L222 Q223 F226 V298 M306 N317 L318 K323 D324 A325L222-F321 HydrophobicContact CD1-CE1 3.97Å; L222-F321 HydrophobicContact CD1-CE2 4.45Å; L222-F321 HydrophobicContact CD1-CZ 3.88Å; L222-F321 HydrophobicContact CD2-CD1 3.65Å; L222-F321 HydrophobicContact CD2-CD2 4.4Å; L222-F321 HydrophobicContact CD2-CE1 3.83Å; L222-F321 HydrophobicContact CD2-CG 3.96Å; L222-F321 HydrophobicContact CD2-CZ 4.29Å; L222-F321 HydrophobicContact CG-CD1 4.06Å; L222-F321 HydrophobicContact CG-CD2 4.15Å; L222-F321 HydrophobicContact CG-CE1 3.86Å; L222-F321 HydrophobicContact CG-CE2 3.95Å; L222-F321 HydrophobicContact CG-CG 4.21Å; L222-F321 HydrophobicContact CG-CZ 3.8Å; Q223-F321 HydrophobicContact CG-CD2 4.26Å; F226-F321 HydrophobicContact CB-CE2 3.68Å; F226-F321 HydrophobicContact CB-CZ 3.76Å; F226-F321 HydrophobicContact CD1-CE2 4.36Å; F226-F321 HydrophobicContact CD2-CZ 4.49Å; F226-F321 HydrophobicContact CG-CE2 4.02Å; F226-F321 HydrophobicContact CG-CZ 4.12Å; V298-F321 HydrophobicContact CB-CE1 4.4Å; V298-F321 HydrophobicContact CB-CZ 4.22Å; V298-F321 HydrophobicContact CG1-CE1 3.83Å; V298-F321 HydrophobicContact CG1-CZ 3.85Å; M306-F321 HydrophobicContact SD-CD1 4.35Å; M306-F321 HydrophobicContact SD-CE1 3.69Å; N317-F321 WeakPolarHBondContact O-CB 3.37Å; N317-F321 PolarHBondContact O-N 3.41Å; L318-F321 PolarHBondContact O-N 3.14Å; F321-K323 PolarHBondContact O-N 3.37Å; F321-D324 WeakPolarHBondContact O-CB 3.43Å; F321-D324 PolarHBondContact O-N 2.89Å; F321-A325 WeakPolarHBondContact O-CB 3.46Å; F321-A325 PolarHBondContact O-N 3.07Å
322L92.1Very high88.5Confident12 Ų1251.3 Ų51.36%0.06327%0.268CS..Hα-helixtrans-68.2-29.9177-74.2167.6000113.8V293 V298 M306 L318 R320 Q326V293-L322 HydrophobicContact CG1-CB 3.6Å; V298-L322 HydrophobicContact CG1-CD2 3.81Å; M306-L322 HydrophobicContact CE-CD1 4.08Å; M306-L322 HydrophobicContact CE-CD2 4Å; M306-L322 HydrophobicContact CE-CG 4.23Å; L318-L322 WeakPolarHBondContact O-CG 3.35Å; L318-L322 PolarHBondContact O-N 3.42Å; R320-L322 VanDerWaalsContact C-N 3.26Å; R320-L322 PolarHBondContact O-N 3.07Å; R320-L322 VanDerWaalsContact O-N 3.15Å; L322-Q326 PolarHBondContact O-N 3.22Å; L322-Q326 VanDerWaalsContact O-N 3.14Å
323K91.5Very high89.1Confident125 Ų12547 Ų4754%0.54324%0.238SC..Hα-helixtrans-71.8-39.1170.4-67.4170.8-175.6173.70110.9V293 A319 R320 F321 Q326 A327V293-K323 HydrophobicContact CG1-CG 3.86Å; V293-K323 HydrophobicContact CG2-CG 4.46Å; A319-K323 WeakPolarHBondContact O-CD 3.4Å; A319-K323 WeakPolarHBondContact O-CG 3.46Å; R320-K323 WeakPolarHBondContact O-CA 3.42Å; R320-K323 WeakPolarHBondContact O-CB 3.27Å; R320-K323 PolarHBondContact O-N 2.93Å; F321-K323 PolarHBondContact O-N 3.37Å; K323-Q326 PolarHBondContact O-N 3.02Å; K323-A327 WeakPolarHBondContact O-CB 3.42Å; K323-A327 PolarHBondContact O-N 3.42Å
324D93.4Very high89.3Confident38 Ų3850.3 Ų50.320%0.20325%0.253CS..Hα-helixtrans-64.4-44178.1-53.7-29.8000110.2A141 F142 R320 F321 Q326 A327 F328A141-D324 HydrophobicContact CB-CB 4.15Å; A141-D324 WeakPolarHBondContact CB-O 3.45Å; F142-D324 HydrophobicContact CE1-CB 4.5Å; F142-D324 HydrophobicContact CE2-CB 4.3Å; F142-D324 HydrophobicContact CZ-CB 3.99Å; R320-D324 PolarHBondContact O-N 3.13Å; F321-D324 WeakPolarHBondContact O-CB 3.43Å; F321-D324 PolarHBondContact O-N 2.89Å; D324-Q326 PolarHBondContact O-N 3.31Å; D324-A327 PolarHBondContact O-N 2.88Å; D324-F328 PolarHBondContact O-N 3.39Å
325A93.9Very high89.6Confident0 Ų049.8 Ų49.80%025%0.245CC..Hα-helixtrans-59.1-43.9171.300000112.6F226 V296 V298 F321 A327 F328 Y329F226-A325 HydrophobicContact CD1-CB 4.49Å; F226-A325 HydrophobicContact CD2-CB 4.34Å; F226-A325 HydrophobicContact CE1-CB 4.03Å; F226-A325 HydrophobicContact CE2-CB 3.85Å; F226-A325 HydrophobicContact CZ-CB 3.68Å; V296-A325 HydrophobicContact CG1-CB 4.16Å; V298-A325 HydrophobicContact CG1-CB 4.1Å; F321-A325 WeakPolarHBondContact O-CB 3.46Å; F321-A325 PolarHBondContact O-N 3.07Å; A325-A327 VanDerWaalsContact C-N 3.33Å; A325-A327 PolarHBondContact O-N 3.34Å; A325-F328 PolarHBondContact O-N 2.92Å; A325-Y329 VanDerWaalsContact O-CD2 3.22Å; A325-Y329 WeakPolarHBondContact O-CD2 3.45Å; A325-Y329 PolarHBondContact O-N 2.99Å
326Q91.1Very high89.8Confident18 Ų1841.6 Ų41.68%0.08421%0.207CC..Hα-helixtrans-65-36.7175.5-159.1-169.765.600112.3I266 L291 V296 L322 K323 D324 R330I266-Q326 HydrophobicContact CG2-CG 4.01Å; L291-Q326 PolarHBondContact O-NE2 3.15Å; V296-Q326 HydrophobicContact CG2-CB 3.99Å; V296-Q326 HydrophobicContact CG2-CG 3.99Å; L322-Q326 PolarHBondContact O-N 3.22Å; L322-Q326 VanDerWaalsContact O-N 3.14Å; K323-Q326 PolarHBondContact O-N 3.02Å; D324-Q326 PolarHBondContact O-N 3.31Å; Q326-R330 VanDerWaalsContact CD-NH2 3.33Å; Q326-R330 VanDerWaalsContact O-CB 3.24Å; Q326-R330 WeakPolarHBondContact O-CB 3.13Å; Q326-R330 PolarHBondContact O-N 3.49Å; Q326-R330 VanDerWaalsContact O-N 3.09Å
327A91.3Very high89.9Confident27 Ų2735.2 Ų35.222%0.22318%0.178CC..Hα-helixtrans-69.2-40.6177.300000112A141 K323 D324 A325 R330 A331A141-A327 HydrophobicContact CB-CB 4.13Å; K323-A327 WeakPolarHBondContact O-CB 3.42Å; K323-A327 PolarHBondContact O-N 3.42Å; D324-A327 PolarHBondContact O-N 2.88Å; A325-A327 VanDerWaalsContact C-N 3.33Å; A325-A327 PolarHBondContact O-N 3.34Å; A327-R330 PolarHBondContact O-N 3.01Å; A327-A331 WeakPolarHBondContact O-CB 2.99Å; A327-A331 PolarHBondContact O-N 2.9Å
328F94.3Very high89.8Confident0 Ų037.5 Ų37.50%019%0.186CC..Hα-helixtrans-54.8-56.8172171.6-80.8000111.3G137 L138 A141 F142 F226 L227 A230 L231 D324 A325 R330 A331 A332G137-F328 VanDerWaalsContact CA-CD2 3.49Å; G137-F328 VanDerWaalsContact O-CD2 3.25Å; G137-F328 WeakPolarHBondContact O-CD2 3.36Å; L138-F328 HydrophobicContact CD2-CE2 4.49Å; L138-F328 HydrophobicContact CG-CE2 4.43Å; A141-F328 HydrophobicContact CB-CB 4.22Å; F142-F328 HydrophobicContact CD2-CB 4.03Å; F142-F328 AromaticContact CD2-CD2 4Å; F142-F328 HydrophobicContact CD2-CD2 4Å; F142-F328 HydrophobicContact CD2-CG 4.38Å; F142-F328 HydrophobicContact CE2-CB 3.7Å; F142-F328 HydrophobicContact CE2-CD2 4.33Å; F142-F328 HydrophobicContact CE2-CG 4.28Å; F226-F328 HydrophobicContact CE1-CB 4.3Å; F226-F328 HydrophobicContact CE1-CD1 4.22Å; F226-F328 HydrophobicContact CE1-CG 4.13Å; F226-F328 HydrophobicContact CZ-CD1 4.06Å; F226-F328 HydrophobicContact CZ-CG 4.37Å; L227-F328 HydrophobicContact CD2-CD2 3.98Å; L227-F328 HydrophobicContact CD2-CE2 3.93Å; A230-F328 HydrophobicContact CB-CD1 4.24Å; A230-F328 HydrophobicContact CB-CE1 3.68Å; A230-F328 HydrophobicContact CB-CZ 4.09Å; L231-F328 HydrophobicContact CD2-CE2 3.9Å; L231-F328 HydrophobicContact CD2-CZ 3.72Å; L231-F328 HydrophobicContact CG-CZ 4.44Å; D324-F328 PolarHBondContact O-N 3.39Å; A325-F328 PolarHBondContact O-N 2.92Å; F328-R330 VanDerWaalsContact C-N 3.3Å; F328-R330 PolarHBondContact O-N 3.24Å; F328-A331 PolarHBondContact O-N 3.14Å; F328-A332 HydrophobicContact CE1-CB 4.39Å; F328-A332 VanDerWaalsContact O-CB 3.28Å; F328-A332 WeakPolarHBondContact O-CB 3.29Å; F328-A332 PolarHBondContact O-N 3Å
329Y92.4Very high89.4Confident3 Ų335.8 Ų35.81%0.01218%0.178CC..Hα-helixtrans-63.6-37.2-177.9-73.1-62.7000111.9F226 A230 Y262 I266 V296 N297 A325 L333F226-Y329 AromaticContact CE2-CE2 3.61Å; F226-Y329 HydrophobicContact CE2-CE2 3.61Å; F226-Y329 AromaticContact CE2-CZ 3.83Å; F226-Y329 HydrophobicContact CZ-CD2 4.28Å; F226-Y329 AromaticContact CZ-CE2 3.69Å; F226-Y329 HydrophobicContact CZ-CE2 3.69Å; F226-Y329 AromaticContact CZ-CZ 3.98Å; A230-Y329 HydrophobicContact CB-CE1 4.24Å; Y262-Y329 AromaticContact CD1-CD1 3.88Å; Y262-Y329 HydrophobicContact CD1-CD1 3.88Å; Y262-Y329 AromaticContact CD1-CE1 3.83Å; Y262-Y329 HydrophobicContact CD1-CE1 3.83Å; Y262-Y329 HydrophobicContact CD2-CD1 4.47Å; Y262-Y329 HydrophobicContact CE1-CD1 4.17Å; Y262-Y329 AromaticContact CE1-CE1 3.89Å; Y262-Y329 HydrophobicContact CE1-CE1 3.89Å; Y262-Y329 HydrophobicContact CG-CD1 4.02Å; Y262-Y329 HydrophobicContact CG-CE1 4.44Å; I266-Y329 HydrophobicContact CG2-CD2 3.89Å; I266-Y329 HydrophobicContact CG2-CG 4.07Å; V296-Y329 HydrophobicContact CG1-CD2 4.28Å; V296-Y329 HydrophobicContact CG1-CE2 4.34Å; N297-Y329 WeakPolarHBondContact O-CE2 3.15Å; N297-Y329 PolarHBondContact O-OH 2.92Å; A325-Y329 VanDerWaalsContact O-CD2 3.22Å; A325-Y329 WeakPolarHBondContact O-CD2 3.45Å; A325-Y329 PolarHBondContact O-N 2.99Å; Y329-L333 WeakPolarHBondContact O-CB 3.39Å; Y329-L333 PolarHBondContact O-N 2.88Å
330R88.2Confident89.2Confident74 Ų7434.4 Ų34.428%0.27916%0.164SC..Hα-helixtrans-62.2-42.7176.1179.9-176.7-66.8128.1-2.4112.6Y282 Y286 Q326 A327 F328 Q334Y282-R330 PolarHBondContact OH-O 2.92Å; Y286-R330 HydrophobicContact CE1-CG 4.32Å; Y286-R330 VanDerWaalsContact CE1-NE 3.31Å; Y286-R330 VanDerWaalsContact OH-CZ 3.3Å; Y286-R330 PolarHBondContact OH-NE 3.14Å; Y286-R330 PolarHBondContact OH-NH2 3.32Å; Q326-R330 VanDerWaalsContact CD-NH2 3.33Å; Q326-R330 VanDerWaalsContact O-CB 3.24Å; Q326-R330 WeakPolarHBondContact O-CB 3.13Å; Q326-R330 PolarHBondContact O-N 3.49Å; Q326-R330 VanDerWaalsContact O-N 3.09Å; A327-R330 PolarHBondContact O-N 3.01Å; F328-R330 VanDerWaalsContact C-N 3.3Å; F328-R330 PolarHBondContact O-N 3.24Å; R330-Q334 WeakPolarHBondContact O-CB 3.36Å; R330-Q334 PolarHBondContact O-N 3.42Å
331A90.8Very high88.5Confident20 Ų2028.5 Ų28.517%0.16514%0.142CC..Hα-helixtrans-74.5-39.9178.700000112.1A136 A140 A327 F328 Q334 S335A136-A331 VanDerWaalsContact O-CB 3.3Å; A136-A331 WeakPolarHBondContact O-CB 3.17Å; A140-A331 HydrophobicContact CB-CB 3.41Å; A140-A331 VanDerWaalsContact CB-CB 3.41Å; A327-A331 WeakPolarHBondContact O-CB 2.99Å; A327-A331 PolarHBondContact O-N 2.9Å; F328-A331 PolarHBondContact O-N 3.14Å; A331-Q334 PolarHBondContact O-N 3.24Å; A331-S335 PolarHBondContact O-N 3.12Å
332A91.1Very high87.3Confident0 Ų031.5 Ų31.50%018%0.176CC..Hα-helixtrans-62.6-48.5175.300000111.4T133 Y262 F328 Q334 S335 L336T133-A332 HydrophobicContact CG2-CB 3.74Å; Y262-A332 HydrophobicContact CD2-CB 3.97Å; Y262-A332 HydrophobicContact CE2-CB 3.71Å; F328-A332 HydrophobicContact CE1-CB 4.39Å; F328-A332 VanDerWaalsContact O-CB 3.28Å; F328-A332 WeakPolarHBondContact O-CB 3.29Å; F328-A332 PolarHBondContact O-N 3Å; A332-Q334 VanDerWaalsContact C-N 3.33Å; A332-Q334 PolarHBondContact O-N 3.3Å; A332-S335 WeakPolarHBondContact O-CB 3.41Å; A332-S335 PolarHBondContact O-N 3.37Å; A332-S335 VanDerWaalsContact O-N 3.09Å; A332-L336 PolarHBondContact O-N 2.88Å
333L88.8Confident86.1Confident0 Ų032.3 Ų32.30%018%0.182CC..Hα-helixtrans-61.9-38177.6-17463.5000112.5M259 T263 I266 F275 Y282 Y329 L336 V337M259-L333 HydrophobicContact CG-CD1 3.81Å; T263-L333 HydrophobicContact CG2-CD2 4.48Å; T263-L333 WeakPolarHBondContact OG1-CD1 3.21Å; I266-L333 HydrophobicContact CD1-CD2 4.13Å; F275-L333 HydrophobicContact CE1-CD1 4.07Å; F275-L333 HydrophobicContact CE1-CD2 4.19Å; F275-L333 HydrophobicContact CE1-CG 4.36Å; F275-L333 HydrophobicContact CE2-CD2 4.07Å; F275-L333 HydrophobicContact CZ-CD1 4.02Å; F275-L333 HydrophobicContact CZ-CD2 3.63Å; F275-L333 HydrophobicContact CZ-CG 3.81Å; Y282-L333 HydrophobicContact CE2-CD2 4.27Å; Y282-L333 HydrophobicContact CE2-CG 4.11Å; Y329-L333 WeakPolarHBondContact O-CB 3.39Å; Y329-L333 PolarHBondContact O-N 2.88Å; L333-L336 PolarHBondContact O-N 3.18Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.22Å
334Q86.9Confident85.3Confident85 Ų8526.6 Ų26.640%0.39716%0.158SC..Hα-helixtrans-61.1-44.9171.9-174.8173.7-23.900111.5Y282 R330 A331 A332 L336 V337 E338Y282-Q334 HydrophobicContact CD1-CG 4.47Å; Y282-Q334 HydrophobicContact CE1-CB 3.78Å; Y282-Q334 HydrophobicContact CE1-CG 3.8Å; Y282-Q334 PolarHBondContact OH-N 3.06Å; R330-Q334 WeakPolarHBondContact O-CB 3.36Å; R330-Q334 PolarHBondContact O-N 3.42Å; A331-Q334 PolarHBondContact O-N 3.24Å; A332-Q334 VanDerWaalsContact C-N 3.33Å; A332-Q334 PolarHBondContact O-N 3.3Å; Q334-L336 VanDerWaalsContact C-N 3.34Å; Q334-L336 PolarHBondContact O-N 3.27Å; Q334-V337 PolarHBondContact O-N 3.02Å; Q334-E338 HydrophobicContact CG-CG 4.38Å; Q334-E338 VanDerWaalsContact CG-OE1 3.28Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.36Å; Q334-E338 PolarHBondContact NE2-OE1 2.94Å; Q334-E338 WeakPolarHBondContact O-CB 3.27Å; Q334-E338 WeakPolarHBondContact O-CG 3.4Å; Q334-E338 PolarHBondContact O-N 3.23Å
335S88.5Confident84.5Confident20 Ų2025.5 Ų25.514%0.1416%0.155CC..Hα-helixtrans-65.3-34.5179.5-162.60000113.2R132 A331 A332 S339R132-S335 PolarHBondContact O-OG 3.09Å; A331-S335 PolarHBondContact O-N 3.12Å; A332-S335 WeakPolarHBondContact O-CB 3.41Å; A332-S335 PolarHBondContact O-N 3.37Å; A332-S335 VanDerWaalsContact O-N 3.09Å; S335-S339 VanDerWaalsContact O-CB 3.28Å; S335-S339 WeakPolarHBondContact O-CB 3.47Å; S335-S339 PolarHBondContact O-N 3.45Å; S335-S339 PolarHBondContact O-OG 2.89Å
336L87.3Confident83.7Confident0 Ų025.5 Ų25.50%016%0.155CC..Hα-helixtrans-63.5-53171.5-70.9169.5000111.3I129 T133 L258 Y262 A332 L333 Q334 E338 S339 I340I129-L336 HydrophobicContact CD1-CD2 4.11Å; I129-L336 HydrophobicContact CG1-CD2 3.96Å; T133-L336 HydrophobicContact CG2-CD1 4.1Å; T133-L336 HydrophobicContact CG2-CD2 3.95Å; T133-L336 HydrophobicContact CG2-CG 3.69Å; T133-L336 VanDerWaalsContact OG1-CD2 3.28Å; T133-L336 WeakPolarHBondContact OG1-CD2 3.5Å; L258-L336 HydrophobicContact CD2-CD1 4.02Å; L258-L336 HydrophobicContact CD2-CD2 3.62Å; L258-L336 HydrophobicContact CD2-CG 4.48Å; L258-L336 HydrophobicContact CG-CD1 3.82Å; L258-L336 HydrophobicContact CG-CD2 4.31Å; Y262-L336 HydrophobicContact CD2-CD1 3.7Å; Y262-L336 HydrophobicContact CE2-CD1 4.22Å; A332-L336 PolarHBondContact O-N 2.88Å; L333-L336 PolarHBondContact O-N 3.18Å; Q334-L336 VanDerWaalsContact C-N 3.34Å; Q334-L336 PolarHBondContact O-N 3.27Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 2.82Å; L336-S339 WeakPolarHBondContact O-CA 3.47Å; L336-S339 WeakPolarHBondContact O-CB 3.46Å; L336-S339 PolarHBondContact O-N 3.1Å; L336-I340 WeakPolarHBondContact O-CG1 3.41Å; L336-I340 PolarHBondContact O-N 3.49Å; L336-I340 VanDerWaalsContact O-N 3.12Å
337V83.3Confident83.2Confident24 Ų2426 Ų2615%0.14516%0.159CC..Hα-helixtrans-61.8-40.6-179.4172.30000111.6M259 F275 V279 Y282 L333 Q334 S339 I340M259-V337 HydrophobicContact SD-CG2 3.94Å; F275-V337 HydrophobicContact CE1-CG2 4.43Å; F275-V337 HydrophobicContact CZ-CG2 4.03Å; V279-V337 HydrophobicContact CG1-CG1 3.82Å; V279-V337 HydrophobicContact CG1-CG2 4.16Å; Y282-V337 HydrophobicContact CD2-CB 4.42Å; Y282-V337 HydrophobicContact CD2-CG1 4.4Å; Y282-V337 HydrophobicContact CD2-CG2 4.1Å; Y282-V337 HydrophobicContact CE2-CG2 4.44Å; Y282-V337 HydrophobicContact CG-CG1 4.47Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.22Å; Q334-V337 PolarHBondContact O-N 3.02Å; V337-S339 PolarHBondContact O-N 3.45Å; V337-I340 PolarHBondContact O-N 3.16Å
338E82.3Confident82.8Confident119 Ų11924.8 Ų24.856%0.55615%0.149SC*.THydrogen-bonded Turntrans-69.8-11174.2-71.7-178.7-16100114.1Q334 L336Q334-E338 HydrophobicContact CG-CG 4.38Å; Q334-E338 VanDerWaalsContact CG-OE1 3.28Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.36Å; Q334-E338 PolarHBondContact NE2-OE1 2.94Å; Q334-E338 WeakPolarHBondContact O-CB 3.27Å; Q334-E338 WeakPolarHBondContact O-CG 3.4Å; Q334-E338 PolarHBondContact O-N 3.23Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 2.82Å
339S80.9Confident82.2Confident5 Ų524.8 Ų24.84%0.03515%0.149CC..THydrogen-bonded Turntrans-101.3-14.4177.3-62.90000113.9S125 R132 S335 L336 V337S125-S339 VanDerWaalsContact CB-O 3.23Å; S125-S339 WeakPolarHBondContact CB-O 2.91Å; S125-S339 PolarHBondContact OG-O 2.96Å; R132-S339 VanDerWaalsContact NH2-CB 3.35Å; R132-S339 PolarHBondContact NH2-OG 3.29Å; S335-S339 VanDerWaalsContact O-CB 3.28Å; S335-S339 WeakPolarHBondContact O-CB 3.47Å; S335-S339 PolarHBondContact O-N 3.45Å; S335-S339 PolarHBondContact O-OG 2.89Å; L336-S339 WeakPolarHBondContact O-CA 3.47Å; L336-S339 WeakPolarHBondContact O-CB 3.46Å; L336-S339 PolarHBondContact O-N 3.1Å; V337-S339 PolarHBondContact O-N 3.45Å
340I81.1Confident81.8Confident15 Ų1528.2 Ų28.28%0.07716%0.162CC..SBendtrans-75.2139.8177.7-73.4164.5000110.1T255 M259 L336 V337 G342 L349T255-I340 HydrophobicContact CG2-CD1 4.24Å; T255-I340 HydrophobicContact CG2-CG1 4.04Å; M259-I340 HydrophobicContact CE-CD1 4.04Å; M259-I340 HydrophobicContact SD-CD1 3.62Å; L336-I340 WeakPolarHBondContact O-CG1 3.41Å; L336-I340 PolarHBondContact O-N 3.49Å; L336-I340 VanDerWaalsContact O-N 3.12Å; V337-I340 PolarHBondContact O-N 3.16Å; I340-G342 PolarHBondContact O-N 3.13Å; I340-G342 VanDerWaalsContact O-N 3.13Å; I340-L349 HydrophobicContact CD1-CD1 3.9Å; I340-L349 HydrophobicContact CG1-CD1 4.24Å; I340-L349 HydrophobicContact CG2-CD1 4.02Å
341P75.2Confident81.6Confident3 Ų325.9 Ų25.92%0.01916%0.155CC..  trans-63.8115.1176.4-19.131.8000110.2L121 S122 L123 I126 P343 L344L121-P341 HydrophobicContact CD2-CB 4.38Å; S122-P341 WeakPolarHBondContact O-CB 3.42Å; S122-P341 WeakPolarHBondContact O-CG 3.46Å; L123-P341 HydrophobicContact CD2-CG 4.03Å; I126-P341 HydrophobicContact CD1-CG 4.11Å; P341-P343 VanDerWaalsContact C-N 3.32Å; P341-P343 WeakPolarHBondContact O-CD 3.32Å; P341-L344 HydrophobicContact CB-CD1 4.13Å; P341-L344 HydrophobicContact CB-CG 4.44Å; P341-L344 HydrophobicContact CG-CD1 3.99Å; P341-L344 WeakPolarHBondContact O-CB 3.15Å; P341-L344 PolarHBondContact O-N 3.47Å
342G68.1Low81.4Confident73 Ų7325.1 Ų25.175%0.75315%0.148SC*.THydrogen-bonded Turntrans-48.9-30.3-166.400000119.1I340I340-G342 PolarHBondContact O-N 3.13Å; I340-G342 VanDerWaalsContact O-N 3.13Å
343P67.8Low81Confident29 Ų2925.9 Ų25.919%0.18816%0.156CC..THydrogen-bonded Turntrans-74.7-19.2172.7-19.433.8000114.9L121 P341 G345 Q378L121-P343 HydrophobicContact CD2-CB 3.81Å; L121-P343 HydrophobicContact CD2-CG 3.9Å; P341-P343 VanDerWaalsContact C-N 3.32Å; P341-P343 WeakPolarHBondContact O-CD 3.32Å; P343-G345 PolarHBondContact O-N 2.93Å; P343-Q378 CarbonylContact O-C 3.36Å; P343-Q378 WeakPolarHBondContact O-CB 3.28Å
344L74.9Confident80.7Confident6 Ų629.8 Ų29.83%0.03118%0.176CC..  trans-83.2107.1178.2-64.6176.3000110.5L121 L252 P341 A348 L349 I352 L379L121-L344 HydrophobicContact CD1-CD2 4.46Å; L121-L344 HydrophobicContact CD2-CD1 4.35Å; L121-L344 HydrophobicContact CD2-CD2 4.15Å; L121-L344 HydrophobicContact CD2-CG 3.8Å; L252-L344 HydrophobicContact CD1-CD1 4.36Å; L252-L344 HydrophobicContact CD2-CD1 4.39Å; P341-L344 HydrophobicContact CB-CD1 4.13Å; P341-L344 HydrophobicContact CB-CG 4.44Å; P341-L344 HydrophobicContact CG-CD1 3.99Å; P341-L344 WeakPolarHBondContact O-CB 3.15Å; P341-L344 PolarHBondContact O-N 3.47Å; L344-A348 HydrophobicContact CD2-CB 3.92Å; L344-L349 HydrophobicContact CB-CD2 3.93Å; L344-L349 HydrophobicContact CB-CG 4.35Å; L344-L349 HydrophobicContact CD1-CD2 3.91Å; L344-I352 HydrophobicContact CD2-CD1 3.93Å; L344-L379 HydrophobicContact CD2-CD2 3.77Å
345G76Confident80.6Confident14 Ų1425.7 Ų25.714%0.14416%0.157CC..  trans-74.8163.1162.400000111.2P343 V347 A348 L349 Q378P343-G345 PolarHBondContact O-N 2.93Å; G345-V347 PolarHBondContact O-N 3.48Å; G345-V347 VanDerWaalsContact O-N 3.17Å; G345-A348 PolarHBondContact O-N 3.39Å; G345-L349 PolarHBondContact O-N 2.98Å; G345-L349 VanDerWaalsContact O-N 3.13Å; G345-Q378 PolarHBondContact O-OE1 2.75Å
346D78.3Confident80.1Confident1 Ų126.8 Ų26.81%0.00516%0.161CC..Hα-helixtrans-51.3-39.6178.517478.4000113.4S256 M259 L276 V279 A348 L349 R350S256-D346 WeakPolarHBondContact CB-OD1 3.39Å; S256-D346 PolarHBondContact OG-OD1 2.88Å; M259-D346 HydrophobicContact CE-CB 3.87Å; L276-D346 HydrophobicContact CB-CB 4.07Å; L276-D346 HydrophobicContact CD2-CB 4.34Å; L276-D346 WeakPolarHBondContact O-CB 3.48Å; V279-D346 HydrophobicContact CG2-CB 4.41Å; D346-A348 VanDerWaalsContact C-N 3.32Å; D346-A348 PolarHBondContact O-N 3.3Å; D346-L349 WeakPolarHBondContact O-CB 3.43Å; D346-L349 PolarHBondContact O-N 2.94Å; D346-L349 VanDerWaalsContact O-N 3.09Å; D346-R350 PolarHBondContact O-N 2.88Å; D346-R350 IonicContact OD1-NE 2.89Å; D346-R350 IonicContact OD2-CZ 2.89Å; D346-R350 IonicContact OD2-NE 2.69Å; D346-R350 PolarHBondContact OD2-NE 3.05Å; D346-R350 IonicContact OD2-NH2 3.66Å; D346-R350 PolarHBondContact OD2-NH2 3.49Å
347V80.4Confident79.1Confident29 Ų2933.3 Ų33.318%0.17619%0.19CC..Hα-helixtrans-56-43.9176.7175.80000111.8G345 N351 V371 V374G345-V347 PolarHBondContact O-N 3.48Å; G345-V347 VanDerWaalsContact O-N 3.17Å; V347-N351 WeakPolarHBondContact O-CB 3.28Å; V347-N351 PolarHBondContact O-N 2.97Å; V347-N351 PolarHBondContact O-ND2 2.99Å; V347-V371 HydrophobicContact CG1-CG1 3.44Å; V347-V371 VanDerWaalsContact CG1-CG1 3.44Å; V347-V374 HydrophobicContact CB-CG1 4.34Å; V347-V374 HydrophobicContact CG1-CB 4.33Å; V347-V374 HydrophobicContact CG1-CG1 3.98Å
348A82Confident78.6Confident0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-68.7-44.3173.700000111.7L344 G345 D346 R350 N351 I352 M375L344-A348 HydrophobicContact CD2-CB 3.92Å; G345-A348 PolarHBondContact O-N 3.39Å; D346-A348 VanDerWaalsContact C-N 3.32Å; D346-A348 PolarHBondContact O-N 3.3Å; A348-R350 VanDerWaalsContact C-N 3.28Å; A348-R350 PolarHBondContact O-N 3.08Å; A348-N351 PolarHBondContact O-N 3.37Å; A348-N351 VanDerWaalsContact O-N 3.09Å; A348-I352 HydrophobicContact CB-CD1 4.27Å; A348-I352 WeakPolarHBondContact O-CG1 3.23Å; A348-I352 PolarHBondContact O-N 2.85Å; A348-M375 HydrophobicContact CB-CG 4.12Å
349L83.1Confident78.2Confident1 Ų130.2 Ų30.21%0.00518%0.177CC..Hα-helixtrans-54.8-41.1179.4-63.3177.6000112.7L252 Q253 M259 I340 L344 G345 D346L252-L349 HydrophobicContact CB-CD2 3.99Å; L252-L349 HydrophobicContact CD2-CD2 3.73Å; L252-L349 HydrophobicContact CG-CD2 4.31Å; Q253-L349 WeakPolarHBondContact CA-O 3.47Å; Q253-L349 PolarHBondContact N-O 3.28Å; M259-L349 HydrophobicContact CE-CD1 4.41Å; I340-L349 HydrophobicContact CD1-CD1 3.9Å; I340-L349 HydrophobicContact CG1-CD1 4.24Å; I340-L349 HydrophobicContact CG2-CD1 4.02Å; L344-L349 HydrophobicContact CB-CD2 3.93Å; L344-L349 HydrophobicContact CB-CG 4.35Å; L344-L349 HydrophobicContact CD1-CD2 3.91Å; G345-L349 PolarHBondContact O-N 2.98Å; G345-L349 VanDerWaalsContact O-N 3.13Å; D346-L349 WeakPolarHBondContact O-CB 3.43Å; D346-L349 PolarHBondContact O-N 2.94Å; D346-L349 VanDerWaalsContact O-N 3.09Å
350R82.9Confident77.8Confident74 Ų7434.2 Ų34.228%0.27920%0.195SC..Hα-helixtrans-75.9-26.9178-64.9-163.2-92.1-174.7-0.3114.5S256 E260 D346 A348S256-R350 VanDerWaalsContact OG-CD 3.22Å; S256-R350 WeakPolarHBondContact OG-CD 3.42Å; S256-R350 WeakPolarHBondContact OG-CG 3.32Å; E260-R350 IonicContact OE1-CZ 2.79Å; E260-R350 IonicContact OE1-NH1 2.68Å; E260-R350 PolarHBondContact OE1-NH1 3.17Å; E260-R350 IonicContact OE1-NH2 3.66Å; E260-R350 IonicContact OE2-CZ 2.66Å; E260-R350 IonicContact OE2-NH1 3.12Å; E260-R350 PolarHBondContact OE2-NH1 3.42Å; D346-R350 PolarHBondContact O-N 2.88Å; D346-R350 IonicContact OD1-NE 2.89Å; D346-R350 IonicContact OD2-CZ 2.89Å; D346-R350 IonicContact OD2-NE 2.69Å; D346-R350 PolarHBondContact OD2-NE 3.05Å; D346-R350 IonicContact OD2-NH2 3.66Å; D346-R350 PolarHBondContact OD2-NH2 3.49Å; A348-R350 VanDerWaalsContact C-N 3.28Å; A348-R350 PolarHBondContact O-N 3.08Å
351N84.9Confident77.5Confident25 Ų2533.8 Ų33.813%0.13419%0.194CC..Hα-helixtrans-108.1-16.4-168.2-70.6-88.5000115.3V347 A348 G353 L354 V355 V371 M375V347-N351 WeakPolarHBondContact O-CB 3.28Å; V347-N351 PolarHBondContact O-N 2.97Å; V347-N351 PolarHBondContact O-ND2 2.99Å; A348-N351 PolarHBondContact O-N 3.37Å; A348-N351 VanDerWaalsContact O-N 3.09Å; N351-G353 VanDerWaalsContact C-N 3.3Å; N351-G353 PolarHBondContact O-N 2.76Å; N351-L354 PolarHBondContact O-N 3.49Å; N351-L354 VanDerWaalsContact O-N 3.1Å; N351-V355 WeakPolarHBondContact O-CB 3.49Å; N351-V355 WeakPolarHBondContact O-CG2 3.42Å; N351-V355 PolarHBondContact O-N 3.49Å; N351-V371 HydrophobicContact CB-CG1 3.93Å; N351-M375 HydrophobicContact CB-SD 3.89Å
352I86.9Confident77.7Confident4 Ų433.8 Ų33.82%0.02119%0.193CC..Hα-helixtrans-54-45.5177.4-74.9163.9000111.7L252 L344 A348 L356 M375 L434 L437L252-I352 HydrophobicContact CD1-CD1 4.4Å; L344-I352 HydrophobicContact CD2-CD1 3.93Å; A348-I352 HydrophobicContact CB-CD1 4.27Å; A348-I352 WeakPolarHBondContact O-CG1 3.23Å; A348-I352 PolarHBondContact O-N 2.85Å; I352-L356 HydrophobicContact CG2-CD1 3.98Å; I352-L356 WeakPolarHBondContact O-CB 3.1Å; I352-L356 WeakPolarHBondContact O-CG 3.03Å; I352-L356 PolarHBondContact O-N 3.29Å; I352-M375 HydrophobicContact CG1-CE 3.63Å; I352-L434 HydrophobicContact CG1-CD2 3.93Å; I352-L437 HydrophobicContact CD1-CD1 4.44Å; I352-L437 HydrophobicContact CG2-CD1 4.22Å
353G82.6Confident77.9Confident16 Ų1633.3 Ų33.317%0.16518%0.176CC..Hα-helixtrans-65.5-37.9177.400000113.8N351 L356 K357N351-G353 VanDerWaalsContact C-N 3.3Å; N351-G353 PolarHBondContact O-N 2.76Å; G353-L356 PolarHBondContact O-N 2.98Å; G353-K357 PolarHBondContact O-N 3.36Å
354L82Confident78.3Confident82 Ų8236.6 Ų36.643%0.42919%0.189SC..Hα-helixtrans-69-40.9178.7-61177.2000112N351 L356N351-L354 PolarHBondContact O-N 3.49Å; N351-L354 VanDerWaalsContact O-N 3.1Å; L354-L356 VanDerWaalsContact C-N 3.26Å; L354-L356 PolarHBondContact O-N 3.28Å
355V83.5Confident78Confident0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-68.3-24.5177.91710000112.2N351 F367 P368 L372 M375 F431 L434N351-V355 WeakPolarHBondContact O-CB 3.49Å; N351-V355 WeakPolarHBondContact O-CG2 3.42Å; N351-V355 PolarHBondContact O-N 3.49Å; V355-F367 HydrophobicContact CB-CZ 4.4Å; V355-F367 HydrophobicContact CG1-CZ 4.23Å; V355-F367 HydrophobicContact CG2-CZ 4.17Å; V355-P368 HydrophobicContact CG2-CG 4.13Å; V355-L372 HydrophobicContact CG1-CD2 4.02Å; V355-L372 HydrophobicContact CG2-CD2 3.86Å; V355-M375 HydrophobicContact CG2-SD 4.29Å; V355-F431 HydrophobicContact CG1-CD1 4.33Å; V355-F431 HydrophobicContact CG1-CE1 3.58Å; V355-F431 HydrophobicContact CG1-CZ 4Å; V355-L434 HydrophobicContact CG1-CD1 3.71Å
356L78.8Confident77.9Confident43 Ų4352.4 Ų52.423%0.22526%0.256CS..Hα-helixtrans-105.2-5.7-177.3-64.5178.8000115.2I352 G353 L354 N358 W414 L434 L435I352-L356 HydrophobicContact CG2-CD1 3.98Å; I352-L356 WeakPolarHBondContact O-CB 3.1Å; I352-L356 WeakPolarHBondContact O-CG 3.03Å; I352-L356 PolarHBondContact O-N 3.29Å; G353-L356 PolarHBondContact O-N 2.98Å; L354-L356 VanDerWaalsContact C-N 3.26Å; L354-L356 PolarHBondContact O-N 3.28Å; L356-N358 PolarHBondContact O-N 3.34Å; L356-W414 HydrophobicContact CD2-CH2 4.47Å; L356-W414 HydrophobicContact CD2-CZ2 4.3Å; L356-L434 HydrophobicContact CD1-CB 4.29Å; L356-L434 HydrophobicContact CD2-CB 4.02Å; L356-L434 HydrophobicContact CG-CB 4.46Å; L356-L435 HydrophobicContact CD2-CD2 3.76Å; L356-L435 HydrophobicContact CD2-CG 4.01Å
357K67.3Low78.1Confident136 Ų13653 Ų5359%0.59126%0.258SS*.SBendtrans-49.8-47.7-171-171.1-175.8178.6-170.90114G353 E949G353-K357 PolarHBondContact O-N 3.36Å; K357-E949 IonicContact NZ-OE2 3.8Å; K357-E949 PolarHBondContact NZ-OE2 2.85Å
358N72.6Confident78.3Confident61 Ų6153 Ų5333%0.32626%0.259SS..  trans-162.6138.8178.5174.5-13.1000107.2L356 E360 S361L356-N358 PolarHBondContact O-N 3.34Å; N358-E360 PolarHBondContact ND2-OE2 3.07Å; N358-E360 PolarHBondContact O-N 3.31Å; N358-E360 VanDerWaalsContact O-N 3.12Å; N358-E360 WeakPolarHBondContact OD1-CB 3.46Å; N358-E360 WeakPolarHBondContact OD1-CG 3.48Å; N358-E360 PolarHBondContact OD1-N 2.88Å; N358-S361 WeakPolarHBondContact O-CB 3.35Å; N358-S361 PolarHBondContact O-N 2.99Å; N358-S361 PolarHBondContact O-OG 3.3Å
359P73.3Confident78.5Confident18 Ų1853.4 Ų53.412%0.11726%0.261CS..G310 helixtrans-50.1-33.4172.318.5-31.9000113.8S361 I362 W414 I417P359-S361 PolarHBondContact O-N 2.91Å; P359-I362 WeakPolarHBondContact O-CB 3.49Å; P359-I362 PolarHBondContact O-N 2.94Å; P359-W414 HydrophobicContact CB-CD2 3.86Å; P359-W414 HydrophobicContact CB-CE3 4.32Å; P359-W414 HydrophobicContact CB-CG 3.99Å; P359-W414 HydrophobicContact CG-CG 4.28Å; P359-I417 HydrophobicContact CB-CD1 3.6Å; P359-I417 WeakPolarHBondContact O-CD1 3.39Å
360E73.3Confident78.6Confident88 Ų8858.2 Ų58.241%0.41128%0.283SS..G310 helixtrans-64.3-25.1178.5-63.5168157.900113.1N358 I362 T363N358-E360 PolarHBondContact ND2-OE2 3.07Å; N358-E360 PolarHBondContact O-N 3.31Å; N358-E360 VanDerWaalsContact O-N 3.12Å; N358-E360 WeakPolarHBondContact OD1-CB 3.46Å; N358-E360 WeakPolarHBondContact OD1-CG 3.48Å; N358-E360 PolarHBondContact OD1-N 2.88Å; E360-I362 PolarHBondContact O-N 3.28Å; E360-T363 WeakPolarHBondContact O-CB 3.48Å; E360-T363 PolarHBondContact O-N 2.77Å; E360-T363 PolarHBondContact O-OG1 3.01Å
361S74.8Confident78.8Confident7 Ų756.2 Ų56.25%0.04928%0.279CS..G310 helixtrans-64.2-24.6-178.380.30000112.7N358 P359 T363 E364 F367N358-S361 WeakPolarHBondContact O-CB 3.35Å; N358-S361 PolarHBondContact O-N 2.99Å; N358-S361 PolarHBondContact O-OG 3.3Å; P359-S361 PolarHBondContact O-N 2.91Å; S361-T363 PolarHBondContact O-N 3.2Å; S361-E364 WeakPolarHBondContact CA-OE1 3.39Å; S361-E364 VanDerWaalsContact CB-OE1 3.32Å; S361-E364 WeakPolarHBondContact CB-OE1 3.45Å; S361-E364 VanDerWaalsContact O-CB 3.25Å; S361-E364 WeakPolarHBondContact O-CB 3.16Å; S361-E364 PolarHBondContact O-N 2.92Å; S361-F367 WeakPolarHBondContact O-CB 3.37Å; S361-F367 VanDerWaalsContact O-CD2 3.26Å; S361-F367 WeakPolarHBondContact O-CD2 3.36Å
362I78.6Confident79Confident2 Ų255 Ų551%0.0127%0.272CS..G310 helixtrans-60.7-26.7174.3-67.8172.8000111.5P359 E360 F367 W369 F398 I402 W414 I417 M421 F431P359-I362 WeakPolarHBondContact O-CB 3.49Å; P359-I362 PolarHBondContact O-N 2.94Å; E360-I362 PolarHBondContact O-N 3.28Å; I362-F367 HydrophobicContact CB-CE2 4.44Å; I362-F367 HydrophobicContact CG1-CD2 4.17Å; I362-F367 HydrophobicContact CG1-CE1 4.4Å; I362-F367 HydrophobicContact CG1-CE2 3.6Å; I362-F367 HydrophobicContact CG1-CZ 3.74Å; I362-W369 HydrophobicContact CG2-CH2 3.66Å; I362-W369 HydrophobicContact CG2-CZ2 3.58Å; I362-W369 WeakPolarHBondContact O-CZ2 3.29Å; I362-F398 HydrophobicContact CG2-CE1 4.4Å; I362-I402 HydrophobicContact CG2-CD1 3.62Å; I362-W414 HydrophobicContact CD1-CE3 4.4Å; I362-W414 HydrophobicContact CD1-CH2 3.68Å; I362-W414 HydrophobicContact CD1-CZ3 3.4Å; I362-I417 HydrophobicContact CD1-CD1 4.15Å; I362-I417 HydrophobicContact CD1-CG2 3.88Å; I362-M421 HydrophobicContact CD1-CE 4.32Å; I362-F431 HydrophobicContact CD1-CD1 4.5Å; I362-F431 HydrophobicContact CD1-CE1 3.74Å; I362-F431 HydrophobicContact CD1-CZ 4.01Å
363T71.7Confident79.1Confident63 Ų6355 Ų5539%0.38727%0.273SS..G310 helixtrans-82.5-15.317675.70000113.2E360 S361 I402 C411E360-T363 WeakPolarHBondContact O-CB 3.48Å; E360-T363 PolarHBondContact O-N 2.77Å; E360-T363 PolarHBondContact O-OG1 3.01Å; S361-T363 PolarHBondContact O-N 3.2Å; T363-I402 HydrophobicContact CG2-CG2 3.91Å; T363-C411 HydrophobicContact CG2-CB 3.82Å; T363-C411 VanDerWaalsContact CG2-SG 3.57Å
364E75.9Confident79.3Confident99 Ų9956.5 Ų56.546%0.46328%0.279SS..SBendtrans-66.8146.9-177-68.7175.9-140.500112.5S361 H366 F367S361-E364 WeakPolarHBondContact CA-OE1 3.39Å; S361-E364 VanDerWaalsContact CB-OE1 3.32Å; S361-E364 WeakPolarHBondContact CB-OE1 3.45Å; S361-E364 VanDerWaalsContact O-CB 3.25Å; S361-E364 WeakPolarHBondContact O-CB 3.16Å; S361-E364 PolarHBondContact O-N 2.92Å; E364-H366 PolarHBondContact O-N 3.36Å; E364-H366 VanDerWaalsContact O-N 3.09Å; E364-F367 PolarHBondContact O-N 3.23Å
365K69.9Low79.5Confident182 Ų18252.6 Ų52.679%0.79126%0.258SS*.THydrogen-bonded Turntrans-62.5-19.6178.2-68.1174.5-178.6168.10113.5
366H72.6Confident79.7Confident170 Ų17052.6 Ų52.679%0.78726%0.258SS*.THydrogen-bonded Turntrans-1084.2-174-63.3-70.7000114.5E364E364-H366 PolarHBondContact O-N 3.36Å; E364-H366 VanDerWaalsContact O-N 3.09Å
367F82.9Confident80Confident13 Ų1352.1 Ų52.16%0.05726%0.257CS..  trans-58.1137178.5-171.2-91.7000112.1V355 S361 I362 E364 W369 L372 F431V355-F367 HydrophobicContact CB-CZ 4.4Å; V355-F367 HydrophobicContact CG1-CZ 4.23Å; V355-F367 HydrophobicContact CG2-CZ 4.17Å; S361-F367 WeakPolarHBondContact O-CB 3.37Å; S361-F367 VanDerWaalsContact O-CD2 3.26Å; S361-F367 WeakPolarHBondContact O-CD2 3.36Å; I362-F367 HydrophobicContact CB-CE2 4.44Å; I362-F367 HydrophobicContact CG1-CD2 4.17Å; I362-F367 HydrophobicContact CG1-CE1 4.4Å; I362-F367 HydrophobicContact CG1-CE2 3.6Å; I362-F367 HydrophobicContact CG1-CZ 3.74Å; E364-F367 PolarHBondContact O-N 3.23Å; F367-W369 AromaticContact CD1-CD1 3.74Å; F367-W369 AromaticContact CD1-CD2 3.79Å; F367-W369 HydrophobicContact CD1-CD2 3.79Å; F367-W369 AromaticContact CD1-CE2 3.62Å; F367-W369 HydrophobicContact CD1-CE3 4.43Å; F367-W369 AromaticContact CD1-CG 3.9Å; F367-W369 HydrophobicContact CD1-CG 3.9Å; F367-W369 HydrophobicContact CD1-CZ2 4.16Å; F367-W369 AromaticContact CD1-NE1 3.57Å; F367-W369 HydrophobicContact CE1-CD2 4.25Å; F367-W369 HydrophobicContact CE1-CE3 4.44Å; F367-W369 VanDerWaalsContact O-CD1 3.27Å; F367-W369 PolarHBondContact O-N 3.09Å; F367-L372 HydrophobicContact CE1-CD1 4.17Å; F367-F431 HydrophobicContact CZ-CZ 4.12Å
368P85.4Confident80.7Confident30 Ų3047.6 Ų47.620%0.19524%0.238CC..  trans-78.856.9-170.333.4-38.1000113.8V355 E370 V371V355-P368 HydrophobicContact CG2-CG 4.13Å; P368-E370 VanDerWaalsContact C-N 3.29Å; P368-E370 PolarHBondContact O-N 3.38Å; P368-V371 HydrophobicContact CB-CB 4.21Å; P368-V371 HydrophobicContact CB-CG2 3.92Å; P368-V371 WeakPolarHBondContact O-CB 3.38Å; P368-V371 PolarHBondContact O-N 3.1Å
369W85.9Confident81.2Confident8 Ų845.1 Ų45.13%0.0323%0.225CC..G310 helixtrans-52.5-39.9-178.1-74101.1000114.5I362 F367 V371 L372 C395 F398 R399I362-W369 HydrophobicContact CG2-CH2 3.66Å; I362-W369 HydrophobicContact CG2-CZ2 3.58Å; I362-W369 WeakPolarHBondContact O-CZ2 3.29Å; F367-W369 AromaticContact CD1-CD1 3.74Å; F367-W369 AromaticContact CD1-CD2 3.79Å; F367-W369 HydrophobicContact CD1-CD2 3.79Å; F367-W369 AromaticContact CD1-CE2 3.62Å; F367-W369 HydrophobicContact CD1-CE3 4.43Å; F367-W369 AromaticContact CD1-CG 3.9Å; F367-W369 HydrophobicContact CD1-CG 3.9Å; F367-W369 HydrophobicContact CD1-CZ2 4.16Å; F367-W369 AromaticContact CD1-NE1 3.57Å; F367-W369 HydrophobicContact CE1-CD2 4.25Å; F367-W369 HydrophobicContact CE1-CE3 4.44Å; F367-W369 VanDerWaalsContact O-CD1 3.27Å; F367-W369 PolarHBondContact O-N 3.09Å; W369-V371 PolarHBondContact O-N 2.87Å; W369-L372 HydrophobicContact CE3-CD1 3.89Å; W369-L372 HydrophobicContact CZ3-CD1 4.06Å; W369-L372 PolarHBondContact O-N 3.36Å; W369-C395 HydrophobicContact CE3-CB 4.04Å; W369-F398 AromaticContact CH2-CD1 3.59Å; W369-F398 HydrophobicContact CH2-CD1 3.59Å; W369-F398 AromaticContact CH2-CE1 3.91Å; W369-F398 HydrophobicContact CH2-CE1 3.91Å; W369-F398 AromaticContact CZ3-CD1 3.92Å; W369-F398 HydrophobicContact CZ3-CD1 3.92Å; W369-R399 HydrophobicContact CD2-CB 4.19Å; W369-R399 HydrophobicContact CD2-CG 4.27Å; W369-R399 HydrophobicContact CE3-CB 4.49Å; W369-R399 HydrophobicContact CG-CG 4.46Å; W369-R399 HydrophobicContact CH2-CB 4.47Å; W369-R399 HydrophobicContact CZ2-CB 4.15Å; W369-R399 HydrophobicContact CZ2-CG 4.24Å
370E84.5Confident81.5Confident102 Ų10245.5 Ų45.548%0.47723%0.232SC..G310 helixtrans-69-13.3-179.8-50.2-55.8151.700113.4P368 Q392P368-E370 VanDerWaalsContact C-N 3.29Å; P368-E370 PolarHBondContact O-N 3.38Å; E370-Q392 PolarHBondContact OE2-NE2 2.73Å
371V87.1Confident82Confident31 Ų3143.4 Ų43.419%0.18822%0.223CC..G310 helixtrans-89.4-26.2-177.8-177.50000112.1V347 N351 P368 W369 V374 M375V347-V371 HydrophobicContact CG1-CG1 3.44Å; V347-V371 VanDerWaalsContact CG1-CG1 3.44Å; N351-V371 HydrophobicContact CB-CG1 3.93Å; P368-V371 HydrophobicContact CB-CB 4.21Å; P368-V371 HydrophobicContact CB-CG2 3.92Å; P368-V371 WeakPolarHBondContact O-CB 3.38Å; P368-V371 PolarHBondContact O-N 3.1Å; W369-V371 PolarHBondContact O-N 2.87Å; V371-V374 PolarHBondContact O-N 2.8Å; V371-M375 HydrophobicContact CG1-CG 3.94Å; V371-M375 HydrophobicContact CG1-SD 3.89Å; V371-M375 WeakPolarHBondContact O-CG 3.31Å; V371-M375 PolarHBondContact O-N 3Å
372L89.8Confident82.5Confident0 Ų044.1 Ų44.10%023%0.228CC..Hα-helixtrans-57.1-41.2-178-63-177.7000114.3V355 F367 W369 M375 A376 L427 L430 F431V355-L372 HydrophobicContact CG1-CD2 4.02Å; V355-L372 HydrophobicContact CG2-CD2 3.86Å; F367-L372 HydrophobicContact CE1-CD1 4.17Å; W369-L372 HydrophobicContact CE3-CD1 3.89Å; W369-L372 HydrophobicContact CZ3-CD1 4.06Å; W369-L372 PolarHBondContact O-N 3.36Å; L372-M375 PolarHBondContact O-N 3.41Å; L372-A376 PolarHBondContact O-N 3.32Å; L372-L427 HydrophobicContact CD1-CD1 3.98Å; L372-L430 HydrophobicContact CB-CD2 3.84Å; L372-L430 HydrophobicContact CD2-CD2 4.04Å; L372-L430 HydrophobicContact CG-CD2 4.41Å; L372-L430 WeakPolarHBondContact O-CD2 3.43Å; L372-F431 HydrophobicContact CD1-CE2 3.78Å; L372-F431 HydrophobicContact CD1-CZ 3.99Å; L372-F431 HydrophobicContact CD2-CE2 4.39Å; L372-F431 HydrophobicContact CD2-CZ 4.22Å
373P88.9Confident82.7Confident4 Ų447 Ų473%0.02625%0.252CS..Hα-helixtrans-63.3-42.8176.8-2234.6000112.6M375 A376 V377 E388 L391 Q392P373-M375 VanDerWaalsContact C-N 3.34Å; P373-M375 PolarHBondContact O-N 3.23Å; P373-A376 PolarHBondContact O-N 2.89Å; P373-V377 PolarHBondContact O-N 2.92Å; P373-E388 HydrophobicContact CB-CG 3.97Å; P373-L391 HydrophobicContact CB-CD2 4.46Å; P373-L391 HydrophobicContact CB-CG 4.42Å; P373-L391 HydrophobicContact CG-CG 4.5Å; P373-Q392 HydrophobicContact CG-CB 3.86Å; P373-Q392 HydrophobicContact CG-CG 4.19Å
374V85.6Confident83.1Confident48 Ų4847.2 Ų47.229%0.29126%0.26SS..Hα-helixtrans-63.4-41.7178-175.20000110.8V347 V371 A376 V377 Q378V347-V374 HydrophobicContact CB-CG1 4.34Å; V347-V374 HydrophobicContact CG1-CB 4.33Å; V347-V374 HydrophobicContact CG1-CG1 3.98Å; V371-V374 PolarHBondContact O-N 2.8Å; V374-A376 PolarHBondContact O-N 3.1Å; V374-V377 PolarHBondContact O-N 2.77Å; V374-Q378 WeakPolarHBondContact O-CB 3.36Å; V374-Q378 WeakPolarHBondContact O-CG 3.19Å; V374-Q378 PolarHBondContact O-N 3.16Å
375M86.6Confident83.4Confident0 Ų044 Ų440%025%0.254CS..Hα-helixtrans-62.3-40.1174.1-71.2178.363.400112.3A348 N351 I352 V355 V371 L372 P373 Q378 L379 L430 L434A348-M375 HydrophobicContact CB-CG 4.12Å; N351-M375 HydrophobicContact CB-SD 3.89Å; I352-M375 HydrophobicContact CG1-CE 3.63Å; V355-M375 HydrophobicContact CG2-SD 4.29Å; V371-M375 HydrophobicContact CG1-CG 3.94Å; V371-M375 HydrophobicContact CG1-SD 3.89Å; V371-M375 WeakPolarHBondContact O-CG 3.31Å; V371-M375 PolarHBondContact O-N 3Å; L372-M375 PolarHBondContact O-N 3.41Å; P373-M375 VanDerWaalsContact C-N 3.34Å; P373-M375 PolarHBondContact O-N 3.23Å; M375-Q378 PolarHBondContact O-N 2.98Å; M375-L379 VanDerWaalsContact O-CB 3.31Å; M375-L379 WeakPolarHBondContact O-CB 3.33Å; M375-L379 VanDerWaalsContact O-CG 3.25Å; M375-L379 WeakPolarHBondContact O-CG 3.32Å; M375-L379 PolarHBondContact O-N 3.3Å; M375-L430 HydrophobicContact CB-CD1 4.5Å; M375-L434 HydrophobicContact CE-CD1 3.91Å; M375-L434 HydrophobicContact CE-CD2 3.93Å
376A87.8Confident83.8Confident0 Ų040.4 Ų40.40%025%0.249CC..Hα-helixtrans-67.4-34.8177.200000113.2L372 P373 V374 G380 L381 C382 L391 L430L372-A376 PolarHBondContact O-N 3.32Å; P373-A376 PolarHBondContact O-N 2.89Å; V374-A376 PolarHBondContact O-N 3.1Å; A376-G380 PolarHBondContact O-N 3.47Å; A376-L381 HydrophobicContact CB-CB 4.35Å; A376-L381 PolarHBondContact O-N 3.25Å; A376-C382 PolarHBondContact O-N 3.3Å; A376-L391 HydrophobicContact CB-CD2 3.3Å; A376-L430 HydrophobicContact CB-CD1 4.19Å; A376-L430 HydrophobicContact CB-CD2 4.3Å
377V85.3Confident84.2Confident33 Ų3334.8 Ų34.820%0.223%0.228CC..Hα-helixtrans-67.2-45172.5172.90000111P373 V374 G380 C382 A384 E388P373-V377 PolarHBondContact O-N 2.92Å; V374-V377 PolarHBondContact O-N 2.77Å; V377-G380 WeakPolarHBondContact O-CA 3.46Å; V377-G380 PolarHBondContact O-N 2.79Å; V377-C382 VanDerWaalsContact CG2-SG 3.59Å; V377-A384 HydrophobicContact CG1-CB 3.99Å; V377-E388 HydrophobicContact CG2-CB 3.88Å; V377-E388 HydrophobicContact CG2-CG 3.82Å
378Q82.4Confident84.3Confident40 Ų4036.7 Ų36.719%0.18724%0.236CC..Hα-helixtrans-60.5-52.1177.5-75.5177.95.200111.3P343 G345 V374 M375 G380P343-Q378 CarbonylContact O-C 3.36Å; P343-Q378 WeakPolarHBondContact O-CB 3.28Å; G345-Q378 PolarHBondContact O-OE1 2.75Å; V374-Q378 WeakPolarHBondContact O-CB 3.36Å; V374-Q378 WeakPolarHBondContact O-CG 3.19Å; V374-Q378 PolarHBondContact O-N 3.16Å; M375-Q378 PolarHBondContact O-N 2.98Å; Q378-G380 PolarHBondContact O-N 3.35Å
379L82.1Confident84.2Confident10 Ų1038.3 Ų38.35%0.05225%0.246CC..THydrogen-bonded Turntrans-64.8-8.2172.9-65.7169.6000113.8L121 L344 M375 L381 L430 T433 L434L121-L379 HydrophobicContact CD1-CD2 3.89Å; L121-L379 HydrophobicContact CD2-CD2 4.34Å; L344-L379 HydrophobicContact CD2-CD2 3.77Å; M375-L379 VanDerWaalsContact O-CB 3.31Å; M375-L379 WeakPolarHBondContact O-CB 3.33Å; M375-L379 VanDerWaalsContact O-CG 3.25Å; M375-L379 WeakPolarHBondContact O-CG 3.32Å; M375-L379 PolarHBondContact O-N 3.3Å; L379-L381 VanDerWaalsContact C-N 3.34Å; L379-L381 HydrophobicContact CB-CD1 4.37Å; L379-L381 HydrophobicContact CB-CG 4.18Å; L379-L381 PolarHBondContact O-N 3.3Å; L379-L430 HydrophobicContact CD1-CD1 3.7Å; L379-T433 HydrophobicContact CD1-CG2 4.34Å; L379-L434 HydrophobicContact CD1-CD2 3.9Å; L379-L434 HydrophobicContact CD1-CG 4.47Å
380G80.1Confident84.2Confident26 Ų2643.5 Ų43.527%0.26827%0.27SS..THydrogen-bonded Turntrans73.520.5175.800000115.4A376 V377 Q378A376-G380 PolarHBondContact O-N 3.47Å; V377-G380 WeakPolarHBondContact O-CA 3.46Å; V377-G380 PolarHBondContact O-N 2.79Å; Q378-G380 PolarHBondContact O-N 3.35Å
381L84.3Confident84.3Confident44 Ų4438.8 Ų38.823%0.2325%0.248CC..SBendtrans-79.3-21.9176.8-59.7177.5000112.5A376 L379 R429 L430 T433A376-L381 HydrophobicContact CB-CB 4.35Å; A376-L381 PolarHBondContact O-N 3.25Å; L379-L381 VanDerWaalsContact C-N 3.34Å; L379-L381 HydrophobicContact CB-CD1 4.37Å; L379-L381 HydrophobicContact CB-CG 4.18Å; L379-L381 PolarHBondContact O-N 3.3Å; L381-R429 HydrophobicContact CD2-CG 4.26Å; L381-L430 HydrophobicContact CD1-CB 4.04Å; L381-L430 HydrophobicContact CD1-CD1 3.9Å; L381-T433 HydrophobicContact CD1-CG2 4.32Å
382C84.6Confident84.4Confident22 Ų2241 Ų4115%0.14926%0.257CS..SBendtrans-141.7167.116963.20000110.9A376 V377 P387 T426A376-C382 PolarHBondContact O-N 3.3Å; V377-C382 VanDerWaalsContact CG2-SG 3.59Å; C382-P387 HydrophobicContact CB-CB 4.21Å; C382-T426 HydrophobicContact CB-CG2 4.21Å
383A83.1Confident84.2Confident62 Ų6247.8 Ų47.851%0.51228%0.282SS..  trans-94.2146.9173.800000110.9P387 E388A383-P387 HydrophobicContact CB-CG 4.37Å; A383-P387 WeakPolarHBondContact O-CD 3.36Å; A383-E388 PolarHBondContact O-N 2.86Å
384A79.9Confident84.3Confident68 Ų6848.6 Ų48.656%0.56229%0.288SS*.THydrogen-bonded Turntrans-58.7148.6176.300000112.1V377 E388V377-A384 HydrophobicContact CG1-CB 3.99Å; A384-E388 VanDerWaalsContact CA-OE2 3.32Å; A384-E388 WeakPolarHBondContact CA-OE2 3.32Å
385G82.8Confident84.4Confident32 Ų3246.4 Ų46.433%0.3328%0.275SS..THydrogen-bonded Turntrans90.9-125.2-17900000113.2E388 V389G385-E388 PolarHBondContact N-OE2 3Å; G385-E388 WeakPolarHBondContact O-CB 3.5Å; G385-E388 PolarHBondContact O-N 3.11Å; G385-E388 VanDerWaalsContact O-N 3.16Å; G385-V389 WeakPolarHBondContact O-CG2 3.21Å; G385-V389 PolarHBondContact O-N 3.17Å
386P78Confident84.4Confident106 Ų10648.6 Ų48.669%0.68829%0.29SS*.Hα-helixtrans-55.7-43.6-169.8-23.631.9000115.8V389 E390P386-V389 PolarHBondContact O-N 2.84Å; P386-E390 PolarHBondContact O-N 2.92Å
387P80.4Confident84.4Confident52 Ų5251.9 Ų51.934%0.33831%0.307SS..Hα-helixtrans-70.1-31.3178-20.234.8000113.7C382 A383 E390 L391C382-P387 HydrophobicContact CB-CB 4.21Å; A383-P387 HydrophobicContact CB-CG 4.37Å; A383-P387 WeakPolarHBondContact O-CD 3.36Å; P387-E390 PolarHBondContact O-N 2.73Å; P387-L391 WeakPolarHBondContact O-CB 3.48Å; P387-L391 PolarHBondContact O-N 3.17Å
388E84.8Confident84.6Confident52 Ų5250.3 Ų50.324%0.24330%0.298CS..Hα-helixtrans-65.4-43.3173.3178.8-177.6-163.500111.2P373 V377 A383 A384 G385 E390 L391 Q392P373-E388 HydrophobicContact CB-CG 3.97Å; V377-E388 HydrophobicContact CG2-CB 3.88Å; V377-E388 HydrophobicContact CG2-CG 3.82Å; A383-E388 PolarHBondContact O-N 2.86Å; A384-E388 VanDerWaalsContact CA-OE2 3.32Å; A384-E388 WeakPolarHBondContact CA-OE2 3.32Å; G385-E388 PolarHBondContact N-OE2 3Å; G385-E388 WeakPolarHBondContact O-CB 3.5Å; G385-E388 PolarHBondContact O-N 3.11Å; G385-E388 VanDerWaalsContact O-N 3.16Å; E388-E390 VanDerWaalsContact C-N 3.34Å; E388-E390 PolarHBondContact O-N 2.9Å; E388-L391 PolarHBondContact O-N 3.43Å; E388-Q392 PolarHBondContact O-N 2.79Å
389V84.3Confident84.9Confident64 Ų6451.5 Ų51.539%0.38830%0.301SS..Hα-helixtrans-66.6-34.9174.7176.40000111.7G385 P386 Q392 R393G385-V389 WeakPolarHBondContact O-CG2 3.21Å; G385-V389 PolarHBondContact O-N 3.17Å; P386-V389 PolarHBondContact O-N 2.84Å; V389-Q392 PolarHBondContact O-N 3.02Å; V389-R393 WeakPolarHBondContact O-CG 3.22Å; V389-R393 PolarHBondContact O-N 3.1Å
390E84.8Confident85Confident117 Ų11755.8 Ų55.855%0.54732%0.319SS..Hα-helixtrans-67.3-38.8173.4-176.3167.3-14800112.4P386 P387 E388 R393 S394P386-E390 PolarHBondContact O-N 2.92Å; P387-E390 PolarHBondContact O-N 2.73Å; E388-E390 VanDerWaalsContact C-N 3.34Å; E388-E390 PolarHBondContact O-N 2.9Å; E390-R393 PolarHBondContact O-N 2.74Å; E390-S394 PolarHBondContact O-N 2.9Å; E390-S394 PolarHBondContact O-OG 3.24Å
391L88.4Confident85.3Confident3 Ų357 Ų572%0.01632%0.319CS..Hα-helixtrans-66.8-36.1170.8-179.456.9000112.1P373 A376 P387 E388 R393 S394 C395 T426 L427P373-L391 HydrophobicContact CB-CD2 4.46Å; P373-L391 HydrophobicContact CB-CG 4.42Å; P373-L391 HydrophobicContact CG-CG 4.5Å; A376-L391 HydrophobicContact CB-CD2 3.3Å; P387-L391 WeakPolarHBondContact O-CB 3.48Å; P387-L391 PolarHBondContact O-N 3.17Å; E388-L391 PolarHBondContact O-N 3.43Å; L391-R393 PolarHBondContact O-N 3.08Å; L391-S394 WeakPolarHBondContact O-CB 3.44Å; L391-S394 PolarHBondContact O-N 2.73Å; L391-C395 PolarHBondContact O-N 2.81Å; L391-C395 PolarHBondContact O-SG 3.34Å; L391-T426 HydrophobicContact CD1-CG2 4.28Å; L391-T426 HydrophobicContact CD2-CG2 4.06Å; L391-L427 HydrophobicContact CD1-CB 3.91Å; L391-L427 HydrophobicContact CD1-CD1 4.33Å
392Q88.1Confident85.2Confident79 Ų7955.7 Ų55.737%0.36931%0.312SS..Hα-helixtrans-62.8-41.4173.5-165.1-177.218.800111.6E370 P373 E388 V389 C395 C396E370-Q392 PolarHBondContact OE2-NE2 2.73Å; P373-Q392 HydrophobicContact CG-CB 3.86Å; P373-Q392 HydrophobicContact CG-CG 4.19Å; E388-Q392 PolarHBondContact O-N 2.79Å; V389-Q392 PolarHBondContact O-N 3.02Å; Q392-C395 PolarHBondContact O-N 2.85Å; Q392-C396 PolarHBondContact O-N 3.45Å; Q392-C396 PolarHBondContact O-SG 3.48Å; Q392-C396 VanDerWaalsContact O-SG 3.39Å
393R86Confident84.8Confident141 Ų14159.5 Ų59.553%0.53233%0.328SS..Hα-helixtrans-60.8-45.6171.5-66.2179.7-139.3134.85.2111.4V389 E390 L391 C395 C396 D397V389-R393 WeakPolarHBondContact O-CG 3.22Å; V389-R393 PolarHBondContact O-N 3.1Å; E390-R393 PolarHBondContact O-N 2.74Å; L391-R393 PolarHBondContact O-N 3.08Å; R393-C395 VanDerWaalsContact C-N 3.3Å; R393-C395 PolarHBondContact O-N 3.27Å; R393-C396 WeakPolarHBondContact O-CB 3.32Å; R393-C396 PolarHBondContact O-N 3.04Å; R393-D397 PolarHBondContact O-N 3.47Å
394S90Very high84.4Confident22 Ų2264 Ų6415%0.15434%0.338CS..Hα-helixtrans-56.3-43.4177.4-59.40000112.3E390 L391 D397 F398E390-S394 PolarHBondContact O-N 2.9Å; E390-S394 PolarHBondContact O-OG 3.24Å; L391-S394 WeakPolarHBondContact O-CB 3.44Å; L391-S394 PolarHBondContact O-N 2.73Å; S394-D397 PolarHBondContact O-N 2.83Å; S394-F398 WeakPolarHBondContact O-CB 3.47Å; S394-F398 PolarHBondContact O-N 3.4Å
395C89.3Confident83.8Confident2 Ų264.5 Ų64.51%0.01433%0.329CS..Hα-helixtrans-62.4-45.5173.7-65.10000111.8W369 L391 Q392 R393 D397 R399W369-C395 HydrophobicContact CE3-CB 4.04Å; L391-C395 PolarHBondContact O-N 2.81Å; L391-C395 PolarHBondContact O-SG 3.34Å; Q392-C395 PolarHBondContact O-N 2.85Å; R393-C395 VanDerWaalsContact C-N 3.3Å; R393-C395 PolarHBondContact O-N 3.27Å; C395-D397 PolarHBondContact O-N 2.66Å; C395-R399 WeakPolarHBondContact O-CB 3.5Å; C395-R399 PolarHBondContact O-N 3.46Å
396C87.1Confident82.3Confident46 Ų4667.7 Ų67.731%0.31135%0.346SS..Hα-helixtrans-64.1-37178.2-74.10000113.6Q392 R393 K400Q392-C396 PolarHBondContact O-N 3.45Å; Q392-C396 PolarHBondContact O-SG 3.48Å; Q392-C396 VanDerWaalsContact O-SG 3.39Å; R393-C396 WeakPolarHBondContact O-CB 3.32Å; R393-C396 PolarHBondContact O-N 3.04Å; C396-K400 WeakPolarHBondContact O-CG 3.26Å; C396-K400 PolarHBondContact O-N 3.42Å
397D87.8Confident80.9Confident68 Ų6868.2 Ų68.236%0.36435%0.352SS..Hα-helixtrans-78.3-39.8-179.4-66-32.2000111.8R393 S394 C395 R399 K400 L401 W424R393-D397 PolarHBondContact O-N 3.47Å; S394-D397 PolarHBondContact O-N 2.83Å; C395-D397 PolarHBondContact O-N 2.66Å; D397-R399 VanDerWaalsContact C-N 3.33Å; D397-R399 PolarHBondContact O-N 2.75Å; D397-K400 PolarHBondContact O-N 3.32Å; D397-K400 IonicContact OD1-NZ 2.67Å; D397-K400 PolarHBondContact OD1-NZ 2.97Å; D397-L401 PolarHBondContact O-N 3.33Å; D397-L401 VanDerWaalsContact O-N 3.1Å; D397-W424 HydrophobicContact CB-CZ2 4.11Å
398F88.7Confident79.2Confident0 Ų068.9 Ų68.90%036%0.358CS..Hα-helixtrans-63.8-37.1171-178.3-109.6000112.4I362 W369 S394 K400 L401 I402 I417 K420 M421 W424 L427I362-F398 HydrophobicContact CG2-CE1 4.4Å; W369-F398 AromaticContact CH2-CD1 3.59Å; W369-F398 HydrophobicContact CH2-CD1 3.59Å; W369-F398 AromaticContact CH2-CE1 3.91Å; W369-F398 HydrophobicContact CH2-CE1 3.91Å; W369-F398 AromaticContact CZ3-CD1 3.92Å; W369-F398 HydrophobicContact CZ3-CD1 3.92Å; S394-F398 WeakPolarHBondContact O-CB 3.47Å; S394-F398 PolarHBondContact O-N 3.4Å; F398-K400 VanDerWaalsContact C-N 3.35Å; F398-K400 PolarHBondContact O-N 3.14Å; F398-L401 HydrophobicContact CD2-CD2 4.37Å; F398-L401 WeakPolarHBondContact O-CB 3.45Å; F398-L401 PolarHBondContact O-N 3.1Å; F398-I402 HydrophobicContact CD1-CD1 4.23Å; F398-I402 HydrophobicContact CE1-CD1 3.45Å; F398-I402 VanDerWaalsContact CE1-CD1 3.45Å; F398-I402 HydrophobicContact CE1-CG1 4.31Å; F398-I402 HydrophobicContact CE2-CD1 4.32Å; F398-I402 HydrophobicContact CE2-CG1 4.45Å; F398-I402 HydrophobicContact CZ-CD1 3.52Å; F398-I402 HydrophobicContact CZ-CG1 4.11Å; F398-I402 PolarHBondContact O-N 2.96Å; F398-I402 VanDerWaalsContact O-N 3.11Å; F398-I417 HydrophobicContact CZ-CG2 4.22Å; F398-K420 HydrophobicContact CE2-CB 3.94Å; F398-K420 WeakPolarHBondContact CE2-O 3.49Å; F398-M421 HydrophobicContact CD1-CE 4.11Å; F398-M421 HydrophobicContact CD1-CG 4.2Å; F398-M421 HydrophobicContact CD2-CG 4.2Å; F398-M421 HydrophobicContact CE1-CE 3.33Å; F398-M421 HydrophobicContact CE1-CG 3.65Å; F398-M421 HydrophobicContact CE1-SD 4.36Å; F398-M421 HydrophobicContact CE2-CB 4.37Å; F398-M421 HydrophobicContact CE2-CG 3.63Å; F398-M421 HydrophobicContact CG-CG 4.46Å; F398-M421 HydrophobicContact CZ-CB 4.45Å; F398-M421 HydrophobicContact CZ-CE 3.81Å; F398-M421 HydrophobicContact CZ-CG 3.32Å; F398-M421 HydrophobicContact CZ-SD 4.43Å; F398-W424 HydrophobicContact CB-CD2 4.36Å; F398-W424 HydrophobicContact CB-CE3 4.18Å; F398-W424 HydrophobicContact CB-CH2 4.33Å; F398-W424 HydrophobicContact CB-CZ2 4.48Å; F398-W424 HydrophobicContact CB-CZ3 4.19Å; F398-W424 AromaticContact CD2-CE3 3.88Å; F398-W424 HydrophobicContact CD2-CE3 3.88Å; F398-W424 HydrophobicContact CD2-CH2 4.27Å; F398-W424 AromaticContact CD2-CZ3 3.58Å; F398-W424 HydrophobicContact CD2-CZ3 3.58Å; F398-W424 HydrophobicContact CE2-CZ3 4.49Å; F398-W424 HydrophobicContact CG-CE3 4.39Å; F398-W424 HydrophobicContact CG-CZ3 4.34Å; F398-L427 HydrophobicContact CB-CD2 3.98Å; F398-L427 HydrophobicContact CD1-CD2 4.01Å; F398-L427 HydrophobicContact CG-CD2 4.1Å
399R87.8Confident77.5Confident65 Ų6574.2 Ų74.225%0.24539%0.388CS..Hα-helixtrans-60.3-40.5173.3-176.1-177.7-172.5175.97.2112.5W369 C395 D397 Q403W369-R399 HydrophobicContact CD2-CB 4.19Å; W369-R399 HydrophobicContact CD2-CG 4.27Å; W369-R399 HydrophobicContact CE3-CB 4.49Å; W369-R399 HydrophobicContact CG-CG 4.46Å; W369-R399 HydrophobicContact CH2-CB 4.47Å; W369-R399 HydrophobicContact CZ2-CB 4.15Å; W369-R399 HydrophobicContact CZ2-CG 4.24Å; C395-R399 WeakPolarHBondContact O-CB 3.5Å; C395-R399 PolarHBondContact O-N 3.46Å; D397-R399 VanDerWaalsContact C-N 3.33Å; D397-R399 PolarHBondContact O-N 2.75Å; R399-Q403 WeakPolarHBondContact O-CB 3.34Å; R399-Q403 VanDerWaalsContact O-CG 3.28Å; R399-Q403 WeakPolarHBondContact O-CG 3.32Å; R399-Q403 PolarHBondContact O-N 3.44Å; R399-Q403 VanDerWaalsContact O-N 3.11Å
400K85.3Confident75.9Confident101 Ų10175.6 Ų75.644%0.43939%0.39SS..Hα-helixtrans-63.9-47.2174-65.6162.9-161163.20111C396 D397 F398 I402 Q403 E404C396-K400 WeakPolarHBondContact O-CG 3.26Å; C396-K400 PolarHBondContact O-N 3.42Å; D397-K400 PolarHBondContact O-N 3.32Å; D397-K400 IonicContact OD1-NZ 2.67Å; D397-K400 PolarHBondContact OD1-NZ 2.97Å; F398-K400 VanDerWaalsContact C-N 3.35Å; F398-K400 PolarHBondContact O-N 3.14Å; K400-I402 VanDerWaalsContact C-N 3.26Å; K400-I402 PolarHBondContact O-N 3.26Å; K400-Q403 CarbonylContact O-C 3.58Å; K400-Q403 PolarHBondContact O-N 3.37Å; K400-E404 WeakPolarHBondContact O-CB 3.37Å; K400-E404 WeakPolarHBondContact O-CG 3.38Å; K400-E404 PolarHBondContact O-N 3.04Å
401L85.1Confident74.3Confident52 Ų5271.6 Ų71.627%0.27238%0.375SS..Hα-helixtrans-54.8-41.3179.7-17670.7000112.3D397 F398 Q405 W424D397-L401 PolarHBondContact O-N 3.33Å; D397-L401 VanDerWaalsContact O-N 3.1Å; F398-L401 HydrophobicContact CD2-CD2 4.37Å; F398-L401 WeakPolarHBondContact O-CB 3.45Å; F398-L401 PolarHBondContact O-N 3.1Å; L401-Q405 VanDerWaalsContact O-CG 3.3Å; L401-Q405 WeakPolarHBondContact O-CG 3.44Å; L401-W424 HydrophobicContact CD2-CH2 3.97Å; L401-W424 HydrophobicContact CD2-CZ3 4.06Å
402I82.8Confident73Confident15 Ų1574.7 Ų74.78%0.07740%0.397CS..Hα-helixtrans-67.9-45174.2-73.8-177.3000111.7I362 T363 F398 K400 E404 Q405 S406I362-I402 HydrophobicContact CG2-CD1 3.62Å; T363-I402 HydrophobicContact CG2-CG2 3.91Å; F398-I402 HydrophobicContact CD1-CD1 4.23Å; F398-I402 HydrophobicContact CE1-CD1 3.45Å; F398-I402 VanDerWaalsContact CE1-CD1 3.45Å; F398-I402 HydrophobicContact CE1-CG1 4.31Å; F398-I402 HydrophobicContact CE2-CD1 4.32Å; F398-I402 HydrophobicContact CE2-CG1 4.45Å; F398-I402 HydrophobicContact CZ-CD1 3.52Å; F398-I402 HydrophobicContact CZ-CG1 4.11Å; F398-I402 PolarHBondContact O-N 2.96Å; F398-I402 VanDerWaalsContact O-N 3.11Å; K400-I402 VanDerWaalsContact C-N 3.26Å; K400-I402 PolarHBondContact O-N 3.26Å; I402-E404 VanDerWaalsContact C-N 3.33Å; I402-E404 PolarHBondContact O-N 3.47Å; I402-Q405 PolarHBondContact O-N 3.45Å; I402-S406 PolarHBondContact O-N 3.26Å
403Q76.7Confident72.5Confident103 Ų10372.2 Ų72.248%0.48139%0.388SS..Hα-helixtrans-68.3-28.5-177.7-72.8178.2-11.100113.7R399 K400 Q405 S406R399-Q403 WeakPolarHBondContact O-CB 3.34Å; R399-Q403 VanDerWaalsContact O-CG 3.28Å; R399-Q403 WeakPolarHBondContact O-CG 3.32Å; R399-Q403 PolarHBondContact O-N 3.44Å; R399-Q403 VanDerWaalsContact O-N 3.11Å; K400-Q403 CarbonylContact O-C 3.58Å; K400-Q403 PolarHBondContact O-N 3.37Å; Q403-Q405 VanDerWaalsContact C-N 3.35Å; Q403-S406 PolarHBondContact O-OG 2.9Å
404E74.1Confident72.3Confident155 Ų15566.5 Ų66.572%0.72437%0.367SS*.Hα-helixtrans-79.5-17.1176.9-71.1170.6-169.400112.9K400 I402K400-E404 WeakPolarHBondContact O-CB 3.37Å; K400-E404 WeakPolarHBondContact O-CG 3.38Å; K400-E404 PolarHBondContact O-N 3.04Å; I402-E404 VanDerWaalsContact C-N 3.33Å; I402-E404 PolarHBondContact O-N 3.47Å
405Q67.1Low71.8Confident79 Ų7967.9 Ų67.937%0.36937%0.374SS..THydrogen-bonded Turntrans-1045.4-178.3-67.5-178.85.200114L401 I402 Q403 S407L401-Q405 VanDerWaalsContact O-CG 3.3Å; L401-Q405 WeakPolarHBondContact O-CG 3.44Å; I402-Q405 PolarHBondContact O-N 3.45Å; Q403-Q405 VanDerWaalsContact C-N 3.35Å; Q405-S407 PolarHBondContact O-N 3.44Å
406S52.4Low71.4Confident100 Ų10072 Ų7270%0.69939%0.392SS*.THydrogen-bonded Turntrans-79.244.1-169.575.40000114.9I402 Q403I402-S406 PolarHBondContact O-N 3.26Å; Q403-S406 PolarHBondContact O-OG 2.9Å
407S47.7Very low71.4Confident116 Ų11669.9 Ų69.981%0.81138%0.378SS*.THydrogen-bonded Turntrans-119.68.5179.4570000114.2Q405Q405-S407 PolarHBondContact O-N 3.44Å
408S45.6Very low71.3Confident67 Ų6766.7 Ų66.747%0.46936%0.36SS..SBendtrans-143.1159.917463.20000111.8E410S408-E410 PolarHBondContact O-N 3.42Å
409D49.2Very low71.1Confident163 Ų16371 Ų7187%0.87238%0.383SS*.SBendtrans-67.728.7180-73.5-43.6000114.6C411D409-C411 PolarHBondContact O-N 2.97Å
410E49.3Very low71Confident93 Ų9370.5 Ų70.544%0.43538%0.383SS..THydrogen-bonded Turntrans-76.6-23.8-167.1-88.9-170.4-164.900115.1S408 S412 K416 K420S408-E410 PolarHBondContact O-N 3.42Å; E410-S412 PolarHBondContact O-N 3.09Å; E410-K416 WeakPolarHBondContact O-CD 3.38Å; E410-K416 WeakPolarHBondContact O-CE 3.42Å; E410-K416 PolarHBondContact O-NZ 3.34Å; E410-K420 IonicContact OE2-NZ 2.71Å; E410-K420 PolarHBondContact OE2-NZ 3.36Å
411C51.6Low71.1Confident34 Ų3465.7 Ų65.723%0.2336%0.362CS..THydrogen-bonded Turntrans-87.73.1-162.9-1320000116.9T363 D409 S413T363-C411 HydrophobicContact CG2-CB 3.82Å; T363-C411 VanDerWaalsContact CG2-SG 3.57Å; D409-C411 PolarHBondContact O-N 2.97Å; C411-S413 PolarHBondContact O-N 2.84Å
412S61.3Low71.2Confident68 Ų6867.9 Ų67.948%0.47637%0.369SS..SBendtrans-69.821.2-170.851.70000117.1E410E410-S412 PolarHBondContact O-N 3.09Å
413S77.6Confident71.6Confident26 Ų2671.5 Ų71.518%0.18239%0.394CS..  trans-160.1136-177.9-1770000114.5C40 C411 V415 K416 I417C40-S413 PolarHBondContact SG-OG 2.95Å; C40-S413 VanDerWaalsContact SG-OG 3.34Å; C411-S413 PolarHBondContact O-N 2.84Å; S413-V415 PolarHBondContact O-N 3.44Å; S413-V415 VanDerWaalsContact O-N 3.14Å; S413-V415 PolarHBondContact OG-N 3.4Å; S413-K416 PolarHBondContact O-N 2.69Å; S413-I417 PolarHBondContact O-N 3.21Å
414W81.6Confident72.2Confident21 Ų2169 Ų698%0.0838%0.38CS..Hα-helixtrans-52.5-33.7173.3-77.5118.7000113.4F35 L356 P359 I362 K416 I417 L418 F431 L435F35-W414 HydrophobicContact CE1-CB 4.32Å; F35-W414 HydrophobicContact CZ-CB 3.86Å; F35-W414 HydrophobicContact CZ-CG 4.22Å; L356-W414 HydrophobicContact CD2-CH2 4.47Å; L356-W414 HydrophobicContact CD2-CZ2 4.3Å; P359-W414 HydrophobicContact CB-CD2 3.86Å; P359-W414 HydrophobicContact CB-CE3 4.32Å; P359-W414 HydrophobicContact CB-CG 3.99Å; P359-W414 HydrophobicContact CG-CG 4.28Å; I362-W414 HydrophobicContact CD1-CE3 4.4Å; I362-W414 HydrophobicContact CD1-CH2 3.68Å; I362-W414 HydrophobicContact CD1-CZ3 3.4Å; W414-K416 VanDerWaalsContact C-N 3.34Å; W414-K416 PolarHBondContact O-N 2.89Å; W414-I417 HydrophobicContact CE3-CG2 4.47Å; W414-I417 PolarHBondContact O-N 2.92Å; W414-L418 HydrophobicContact CB-CD1 4.47Å; W414-L418 WeakPolarHBondContact O-CB 3.38Å; W414-L418 VanDerWaalsContact O-CG 3.28Å; W414-L418 WeakPolarHBondContact O-CG 3.37Å; W414-L418 PolarHBondContact O-N 2.85Å; W414-F431 AromaticContact CH2-CD1 3.87Å; W414-F431 HydrophobicContact CH2-CD1 3.87Å; W414-F431 AromaticContact CH2-CE1 3.87Å; W414-F431 HydrophobicContact CH2-CE1 3.87Å; W414-F431 AromaticContact CZ3-CD1 3.53Å; W414-F431 HydrophobicContact CZ3-CD1 3.53Å; W414-F431 AromaticContact CZ3-CE1 3.8Å; W414-F431 HydrophobicContact CZ3-CE1 3.8Å; W414-L435 HydrophobicContact CD2-CD1 4.07Å; W414-L435 HydrophobicContact CD2-CD2 4.18Å; W414-L435 HydrophobicContact CE3-CD1 4.05Å; W414-L435 HydrophobicContact CG-CD1 4.41Å; W414-L435 HydrophobicContact CG-CD2 4.47Å; W414-L435 HydrophobicContact CZ2-CD2 4.24Å
415V80.6Confident72.9Confident51 Ų5166.1 Ų66.131%0.30938%0.375SS..Hα-helixtrans-57.9-48-179.4-172.10000111.2E37 C40 S413 D419E37-V415 VanDerWaalsContact O-CG1 3.29Å; E37-V415 WeakPolarHBondContact O-CG1 3.33Å; E37-V415 WeakPolarHBondContact O-CG2 3.02Å; C40-V415 HydrophobicContact CB-CG2 3.51Å; S413-V415 PolarHBondContact O-N 3.44Å; S413-V415 VanDerWaalsContact O-N 3.14Å; S413-V415 PolarHBondContact OG-N 3.4Å; V415-D419 WeakPolarHBondContact O-CB 3.47Å; V415-D419 PolarHBondContact O-N 2.91Å
416K81.2Confident73.9Confident88 Ų8865 Ų6538%0.38337%0.374SS..Hα-helixtrans-71.4-34.7-178.4-61.4176.7-179.1179.80111.8E410 S413 W414 K420E410-K416 WeakPolarHBondContact O-CD 3.38Å; E410-K416 WeakPolarHBondContact O-CE 3.42Å; E410-K416 PolarHBondContact O-NZ 3.34Å; S413-K416 PolarHBondContact O-N 2.69Å; W414-K416 VanDerWaalsContact C-N 3.34Å; W414-K416 PolarHBondContact O-N 2.89Å; K416-K420 WeakPolarHBondContact O-CB 3.28Å; K416-K420 WeakPolarHBondContact O-CG 3.22Å; K416-K420 PolarHBondContact O-N 3.49Å
417I85.4Confident75.7Confident3 Ų360.3 Ų60.32%0.01534%0.34CS..Hα-helixtrans-68.4-48.5177.5-65.9-178.1000110.5P359 I362 F398 S413 W414 D419 K420 M421P359-I417 HydrophobicContact CB-CD1 3.6Å; P359-I417 WeakPolarHBondContact O-CD1 3.39Å; I362-I417 HydrophobicContact CD1-CD1 4.15Å; I362-I417 HydrophobicContact CD1-CG2 3.88Å; F398-I417 HydrophobicContact CZ-CG2 4.22Å; S413-I417 PolarHBondContact O-N 3.21Å; W414-I417 HydrophobicContact CE3-CG2 4.47Å; W414-I417 PolarHBondContact O-N 2.92Å; I417-D419 VanDerWaalsContact C-N 3.35Å; I417-D419 PolarHBondContact O-N 3.44Å; I417-K420 CarbonylContact O-C 3.6Å; I417-K420 PolarHBondContact O-N 3.44Å; I417-M421 HydrophobicContact CG2-CE 3.62Å; I417-M421 HydrophobicContact CG2-SD 4.31Å; I417-M421 WeakPolarHBondContact O-CG 3.46Å; I417-M421 PolarHBondContact O-N 3.23Å
418L86.2Confident77.7Confident0 Ų056.1 Ų56.10%031%0.308CS..Hα-helixtrans-62.5-41.2176.9-70.2168.9000111.4F35 E37 W414 M421 K422 H428 F431 L432 L435F35-L418 HydrophobicContact CD1-CD1 4.18Å; F35-L418 HydrophobicContact CE1-CD1 3.77Å; E37-L418 HydrophobicContact CG-CD1 4.18Å; W414-L418 HydrophobicContact CB-CD1 4.47Å; W414-L418 WeakPolarHBondContact O-CB 3.38Å; W414-L418 VanDerWaalsContact O-CG 3.28Å; W414-L418 WeakPolarHBondContact O-CG 3.37Å; W414-L418 PolarHBondContact O-N 2.85Å; L418-M421 HydrophobicContact CD2-SD 4.35Å; L418-M421 WeakPolarHBondContact O-CB 3.39Å; L418-M421 PolarHBondContact O-N 2.94Å; L418-K422 PolarHBondContact O-N 3.37Å; L418-H428 PolarHBondContact O-CD2 3.41Å; L418-H428 VanDerWaalsContact O-CD2 3.24Å; L418-H428 PolarHBondContact O-NE2 3.27Å; L418-F431 HydrophobicContact CD2-CB 3.85Å; L418-L432 HydrophobicContact CD1-CD2 3.96Å; L418-L432 HydrophobicContact CD2-CD2 4.21Å; L418-L432 HydrophobicContact CD2-CG 4.32Å; L418-L435 HydrophobicContact CD1-CD1 3.98Å; L418-L435 HydrophobicContact CD2-CD1 4.45Å
419D84.9Confident79.8Confident90 Ų9058.1 Ų58.148%0.48131%0.305SS..Hα-helixtrans-59.8-47.7173.8-165.467.3000112.2V415 I417 M421 K422V415-D419 WeakPolarHBondContact O-CB 3.47Å; V415-D419 PolarHBondContact O-N 2.91Å; I417-D419 VanDerWaalsContact C-N 3.35Å; I417-D419 PolarHBondContact O-N 3.44Å; D419-M421 PolarHBondContact O-N 3.2Å; D419-K422 WeakPolarHBondContact O-CB 3.47Å; D419-K422 WeakPolarHBondContact O-CG 3.42Å; D419-K422 PolarHBondContact O-N 3.33Å; D419-K422 WeakPolarHBondContact OD1-CE 3.4Å; D419-K422 IonicContact OD1-NZ 3.13Å; D419-K422 PolarHBondContact OD1-NZ 2.92Å
420K85.8Confident81.7Confident55 Ų5550.4 Ų50.424%0.23926%0.264CS..Hα-helixtrans-64.7-22.1173.3-68.8-177.2-175.3-171.20112.9F398 E410 K416 I417 P423 W424F398-K420 HydrophobicContact CE2-CB 3.94Å; F398-K420 WeakPolarHBondContact CE2-O 3.49Å; E410-K420 IonicContact OE2-NZ 2.71Å; E410-K420 PolarHBondContact OE2-NZ 3.36Å; K416-K420 WeakPolarHBondContact O-CB 3.28Å; K416-K420 WeakPolarHBondContact O-CG 3.22Å; K416-K420 PolarHBondContact O-N 3.49Å; I417-K420 CarbonylContact O-C 3.6Å; I417-K420 PolarHBondContact O-N 3.44Å; K420-P423 WeakPolarHBondContact O-CD 3.25Å; K420-W424 WeakPolarHBondContact O-CZ3 3.49Å
421M88.2Confident83.7Confident0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-81.1-15.8175.1-76.2179.3-178.500114.6I362 F398 I417 L418 D419 P423 W424 L427 H428 F431I362-M421 HydrophobicContact CD1-CE 4.32Å; F398-M421 HydrophobicContact CD1-CE 4.11Å; F398-M421 HydrophobicContact CD1-CG 4.2Å; F398-M421 HydrophobicContact CD2-CG 4.2Å; F398-M421 HydrophobicContact CE1-CE 3.33Å; F398-M421 HydrophobicContact CE1-CG 3.65Å; F398-M421 HydrophobicContact CE1-SD 4.36Å; F398-M421 HydrophobicContact CE2-CB 4.37Å; F398-M421 HydrophobicContact CE2-CG 3.63Å; F398-M421 HydrophobicContact CG-CG 4.46Å; F398-M421 HydrophobicContact CZ-CB 4.45Å; F398-M421 HydrophobicContact CZ-CE 3.81Å; F398-M421 HydrophobicContact CZ-CG 3.32Å; F398-M421 HydrophobicContact CZ-SD 4.43Å; I417-M421 HydrophobicContact CG2-CE 3.62Å; I417-M421 HydrophobicContact CG2-SD 4.31Å; I417-M421 WeakPolarHBondContact O-CG 3.46Å; I417-M421 PolarHBondContact O-N 3.23Å; L418-M421 HydrophobicContact CD2-SD 4.35Å; L418-M421 WeakPolarHBondContact O-CB 3.39Å; L418-M421 PolarHBondContact O-N 2.94Å; D419-M421 PolarHBondContact O-N 3.2Å; M421-P423 VanDerWaalsContact C-N 3.29Å; M421-P423 VanDerWaalsContact O-N 3.1Å; M421-W424 PolarHBondContact O-N 3.3Å; M421-L427 HydrophobicContact SD-CG 4.39Å; M421-H428 HydrophobicContact CB-CB 4.18Å; M421-F431 HydrophobicContact CE-CD1 4.37Å; M421-F431 HydrophobicContact CE-CD2 3.39Å; M421-F431 HydrophobicContact CE-CE1 4.35Å; M421-F431 HydrophobicContact CE-CE2 3.36Å; M421-F431 HydrophobicContact CE-CG 3.92Å; M421-F431 HydrophobicContact CE-CZ 3.86Å; M421-F431 HydrophobicContact SD-CB 4.16Å; M421-F431 HydrophobicContact SD-CD2 3.53Å; M421-F431 VanDerWaalsContact SD-CD2 3.53Å; M421-F431 HydrophobicContact SD-CE2 4.12Å; M421-F431 HydrophobicContact SD-CG 3.94Å
422K85.9Confident85.5Confident98 Ų9844.9 Ų44.943%0.42624%0.235SC..THydrogen-bonded Turntrans-50.7-33.1-176.3-73.9171.3-178.2168.10115.9L418 D419 W424L418-K422 PolarHBondContact O-N 3.37Å; D419-K422 WeakPolarHBondContact O-CB 3.47Å; D419-K422 WeakPolarHBondContact O-CG 3.42Å; D419-K422 PolarHBondContact O-N 3.33Å; D419-K422 WeakPolarHBondContact OD1-CE 3.4Å; D419-K422 IonicContact OD1-NZ 3.13Å; D419-K422 PolarHBondContact OD1-NZ 2.92Å; K422-W424 PolarHBondContact O-N 2.95Å; K422-W424 VanDerWaalsContact O-N 3.16Å
423P90.6Very high86.8Confident91 Ų9141.8 Ų41.859%0.59121%0.214SC*.THydrogen-bonded Turntrans-64.2-11.8174-2335.1000115.3K420 M421 P425K420-P423 WeakPolarHBondContact O-CD 3.25Å; M421-P423 VanDerWaalsContact C-N 3.29Å; M421-P423 VanDerWaalsContact O-N 3.1Å; P423-P425 WeakPolarHBondContact O-CD 3.38Å
424W90.8Very high87.4Confident52 Ų5240.7 Ų40.720%0.19721%0.205CC..SBendtrans-121.679.9179.4-61.8-83000110.9D397 F398 L401 K420 M421 K422 T426 L427 H428D397-W424 HydrophobicContact CB-CZ2 4.11Å; F398-W424 HydrophobicContact CB-CD2 4.36Å; F398-W424 HydrophobicContact CB-CE3 4.18Å; F398-W424 HydrophobicContact CB-CH2 4.33Å; F398-W424 HydrophobicContact CB-CZ2 4.48Å; F398-W424 HydrophobicContact CB-CZ3 4.19Å; F398-W424 AromaticContact CD2-CE3 3.88Å; F398-W424 HydrophobicContact CD2-CE3 3.88Å; F398-W424 HydrophobicContact CD2-CH2 4.27Å; F398-W424 AromaticContact CD2-CZ3 3.58Å; F398-W424 HydrophobicContact CD2-CZ3 3.58Å; F398-W424 HydrophobicContact CE2-CZ3 4.49Å; F398-W424 HydrophobicContact CG-CE3 4.39Å; F398-W424 HydrophobicContact CG-CZ3 4.34Å; L401-W424 HydrophobicContact CD2-CH2 3.97Å; L401-W424 HydrophobicContact CD2-CZ3 4.06Å; K420-W424 WeakPolarHBondContact O-CZ3 3.49Å; M421-W424 PolarHBondContact O-N 3.3Å; K422-W424 PolarHBondContact O-N 2.95Å; K422-W424 VanDerWaalsContact O-N 3.16Å; W424-T426 VanDerWaalsContact C-N 3.31Å; W424-T426 PolarHBondContact O-N 3.08Å; W424-T426 VanDerWaalsContact O-N 3.13Å; W424-L427 HydrophobicContact CB-CB 3.95Å; W424-L427 HydrophobicContact CB-CD2 4.44Å; W424-L427 WeakPolarHBondContact O-CB 3.33Å; W424-L427 PolarHBondContact O-N 3.32Å; W424-H428 PolarHBondContact O-N 3.45Å
425P87.6Confident87.8Confident93 Ų9340.6 Ų40.660%0.60421%0.207SC*.Hα-helixtrans-56.1-37.4-167.8-29.136.3000115.2P423 R429P423-P425 WeakPolarHBondContact O-CD 3.38Å; P425-R429 VanDerWaalsContact O-CB 3.27Å; P425-R429 WeakPolarHBondContact O-CB 3.24Å; P425-R429 PolarHBondContact O-N 2.91Å
426T88.3Confident88.3Confident57 Ų5738.3 Ų38.335%0.3519%0.193SC..Hα-helixtrans-68.6-37178.7-44.60000112.2C382 L391 W424 L430C382-T426 HydrophobicContact CB-CG2 4.21Å; L391-T426 HydrophobicContact CD1-CG2 4.28Å; L391-T426 HydrophobicContact CD2-CG2 4.06Å; W424-T426 VanDerWaalsContact C-N 3.31Å; W424-T426 PolarHBondContact O-N 3.08Å; W424-T426 VanDerWaalsContact O-N 3.13Å; T426-L430 PolarHBondContact O-N 3.42Å
427L90.4Very high88.7Confident0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-71.6-44.5176-177.559.5000110.9L372 L391 F398 M421 W424 R429 L430 F431L372-L427 HydrophobicContact CD1-CD1 3.98Å; L391-L427 HydrophobicContact CD1-CB 3.91Å; L391-L427 HydrophobicContact CD1-CD1 4.33Å; F398-L427 HydrophobicContact CB-CD2 3.98Å; F398-L427 HydrophobicContact CD1-CD2 4.01Å; F398-L427 HydrophobicContact CG-CD2 4.1Å; M421-L427 HydrophobicContact SD-CG 4.39Å; W424-L427 HydrophobicContact CB-CB 3.95Å; W424-L427 HydrophobicContact CB-CD2 4.44Å; W424-L427 WeakPolarHBondContact O-CB 3.33Å; W424-L427 PolarHBondContact O-N 3.32Å; L427-R429 VanDerWaalsContact C-N 3.35Å; L427-R429 PolarHBondContact O-N 3.26Å; L427-L430 WeakPolarHBondContact O-CB 3.49Å; L427-L430 PolarHBondContact O-N 3.44Å; L427-F431 HydrophobicContact CD1-CD2 4.06Å; L427-F431 HydrophobicContact CD1-CE2 3.83Å; L427-F431 HydrophobicContact CG-CD2 4.47Å; L427-F431 PolarHBondContact O-N 3.49Å; L427-F431 VanDerWaalsContact O-N 3.14Å
428H89.8Confident88.9Confident29 Ų2935.1 Ų35.113%0.13418%0.18CC..Hα-helixtrans-59.1-44.8173.7-174.3-117.7000111.7L418 M421 W424 L430 F431 L432L418-H428 PolarHBondContact O-CD2 3.41Å; L418-H428 VanDerWaalsContact O-CD2 3.24Å; L418-H428 PolarHBondContact O-NE2 3.27Å; M421-H428 HydrophobicContact CB-CB 4.18Å; W424-H428 PolarHBondContact O-N 3.45Å; H428-L430 PolarHBondContact O-N 2.82Å; H428-F431 PolarHBondContact O-N 2.97Å; H428-L432 VanDerWaalsContact CE1-CD1 3.5Å; H428-L432 WeakPolarHBondContact CE1-CD1 3.37Å; H428-L432 WeakPolarHBondContact O-CG 3.4Å; H428-L432 PolarHBondContact O-N 3.11Å
429R88.9Confident88.9Confident109 Ų10936.5 Ų36.541%0.41119%0.19SC..Hα-helixtrans-64.2-37176.2-168173.5-175125.38.3112.2N92 L381 P425 L427 T433N92-R429 PolarHBondContact OD1-NH2 3.11Å; N92-R429 VanDerWaalsContact OD1-NH2 3.16Å; L381-R429 HydrophobicContact CD2-CG 4.26Å; P425-R429 VanDerWaalsContact O-CB 3.27Å; P425-R429 WeakPolarHBondContact O-CB 3.24Å; P425-R429 PolarHBondContact O-N 2.91Å; L427-R429 VanDerWaalsContact C-N 3.35Å; L427-R429 PolarHBondContact O-N 3.26Å; R429-T433 VanDerWaalsContact O-CB 3.3Å; R429-T433 WeakPolarHBondContact O-CB 3.2Å; R429-T433 PolarHBondContact O-N 3.22Å; R429-T433 PolarHBondContact O-OG1 3.21Å; R429-T433 VanDerWaalsContact O-OG1 3.12Å
430L90.7Very high89Confident0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-58.6-53.1173.6175.665000111.7L372 M375 A376 L379 L381 T426 L427 H428 L432 T433 L434L372-L430 HydrophobicContact CB-CD2 3.84Å; L372-L430 HydrophobicContact CD2-CD2 4.04Å; L372-L430 HydrophobicContact CG-CD2 4.41Å; L372-L430 WeakPolarHBondContact O-CD2 3.43Å; M375-L430 HydrophobicContact CB-CD1 4.5Å; A376-L430 HydrophobicContact CB-CD1 4.19Å; A376-L430 HydrophobicContact CB-CD2 4.3Å; L379-L430 HydrophobicContact CD1-CD1 3.7Å; L381-L430 HydrophobicContact CD1-CB 4.04Å; L381-L430 HydrophobicContact CD1-CD1 3.9Å; T426-L430 PolarHBondContact O-N 3.42Å; L427-L430 WeakPolarHBondContact O-CB 3.49Å; L427-L430 PolarHBondContact O-N 3.44Å; H428-L430 PolarHBondContact O-N 2.82Å; L430-L432 PolarHBondContact O-N 3.48Å; L430-T433 PolarHBondContact O-N 2.86Å; L430-L434 HydrophobicContact CD1-CD1 4.14Å; L430-L434 HydrophobicContact CD1-CG 4.29Å; L430-L434 HydrophobicContact CG-CD1 4.2Å; L430-L434 WeakPolarHBondContact O-CG 3.5Å; L430-L434 PolarHBondContact O-N 3.23Å
431F90.6Very high89.2Confident0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-64.7-40.1-180-84.2-85.8000112.5V355 I362 F367 L372 W414 L418 M421 L427 H428 T433 L434 L435V355-F431 HydrophobicContact CG1-CD1 4.33Å; V355-F431 HydrophobicContact CG1-CE1 3.58Å; V355-F431 HydrophobicContact CG1-CZ 4Å; I362-F431 HydrophobicContact CD1-CD1 4.5Å; I362-F431 HydrophobicContact CD1-CE1 3.74Å; I362-F431 HydrophobicContact CD1-CZ 4.01Å; F367-F431 HydrophobicContact CZ-CZ 4.12Å; L372-F431 HydrophobicContact CD1-CE2 3.78Å; L372-F431 HydrophobicContact CD1-CZ 3.99Å; L372-F431 HydrophobicContact CD2-CE2 4.39Å; L372-F431 HydrophobicContact CD2-CZ 4.22Å; W414-F431 AromaticContact CH2-CD1 3.87Å; W414-F431 HydrophobicContact CH2-CD1 3.87Å; W414-F431 AromaticContact CH2-CE1 3.87Å; W414-F431 HydrophobicContact CH2-CE1 3.87Å; W414-F431 AromaticContact CZ3-CD1 3.53Å; W414-F431 HydrophobicContact CZ3-CD1 3.53Å; W414-F431 AromaticContact CZ3-CE1 3.8Å; W414-F431 HydrophobicContact CZ3-CE1 3.8Å; L418-F431 HydrophobicContact CD2-CB 3.85Å; M421-F431 HydrophobicContact CE-CD1 4.37Å; M421-F431 HydrophobicContact CE-CD2 3.39Å; M421-F431 HydrophobicContact CE-CE1 4.35Å; M421-F431 HydrophobicContact CE-CE2 3.36Å; M421-F431 HydrophobicContact CE-CG 3.92Å; M421-F431 HydrophobicContact CE-CZ 3.86Å; M421-F431 HydrophobicContact SD-CB 4.16Å; M421-F431 HydrophobicContact SD-CD2 3.53Å; M421-F431 VanDerWaalsContact SD-CD2 3.53Å; M421-F431 HydrophobicContact SD-CE2 4.12Å; M421-F431 HydrophobicContact SD-CG 3.94Å; L427-F431 HydrophobicContact CD1-CD2 4.06Å; L427-F431 HydrophobicContact CD1-CE2 3.83Å; L427-F431 HydrophobicContact CG-CD2 4.47Å; L427-F431 PolarHBondContact O-N 3.49Å; L427-F431 VanDerWaalsContact O-N 3.14Å; H428-F431 PolarHBondContact O-N 2.97Å; F431-T433 PolarHBondContact O-N 3.41Å; F431-L434 PolarHBondContact O-N 3.28Å; F431-L435 WeakPolarHBondContact O-CB 3.15Å; F431-L435 WeakPolarHBondContact O-CD1 3.44Å; F431-L435 VanDerWaalsContact O-CG 3.28Å; F431-L435 WeakPolarHBondContact O-CG 3.5Å; F431-L435 PolarHBondContact O-N 2.89Å
432L88.8Confident89.1Confident11 Ų1133.4 Ų33.46%0.05817%0.173CC..Hα-helixtrans-62.1-41.1172.7-72.2179.2000112.5P10 E37 L418 H428 L430 L434 L435 A436P10-L432 VanDerWaalsContact CG-C 3.46Å; P10-L432 HydrophobicContact CG-CB 3.72Å; P10-L432 WeakPolarHBondContact CG-O 3.25Å; E37-L432 HydrophobicContact CG-CD2 4.1Å; L418-L432 HydrophobicContact CD1-CD2 3.96Å; L418-L432 HydrophobicContact CD2-CD2 4.21Å; L418-L432 HydrophobicContact CD2-CG 4.32Å; H428-L432 VanDerWaalsContact CE1-CD1 3.5Å; H428-L432 WeakPolarHBondContact CE1-CD1 3.37Å; H428-L432 WeakPolarHBondContact O-CG 3.4Å; H428-L432 PolarHBondContact O-N 3.11Å; L430-L432 PolarHBondContact O-N 3.48Å; L432-L434 VanDerWaalsContact C-N 3.35Å; L432-L434 PolarHBondContact O-N 2.86Å; L432-L435 PolarHBondContact O-N 3.27Å; L432-A436 WeakPolarHBondContact O-CB 3.19Å; L432-A436 PolarHBondContact O-N 2.97Å
433T89.7Confident89Confident4 Ų432.7 Ų32.73%0.02517%0.172CC..Hα-helixtrans-62.9-40.6176.4-750000111.6V94 L379 L381 R429 L430 F431V94-T433 HydrophobicContact CB-CG2 4.27Å; V94-T433 HydrophobicContact CG1-CG2 4.01Å; L379-T433 HydrophobicContact CD1-CG2 4.34Å; L381-T433 HydrophobicContact CD1-CG2 4.32Å; R429-T433 VanDerWaalsContact O-CB 3.3Å; R429-T433 WeakPolarHBondContact O-CB 3.2Å; R429-T433 PolarHBondContact O-N 3.22Å; R429-T433 PolarHBondContact O-OG1 3.21Å; R429-T433 VanDerWaalsContact O-OG1 3.12Å; L430-T433 PolarHBondContact O-N 2.86Å; F431-T433 PolarHBondContact O-N 3.41Å
434L90.6Very high88.7Confident2 Ų232.9 Ų32.91%0.0117%0.172CC..Hα-helixtrans-68.6-43.9176.6-68.5175.7000112.2I352 V355 L356 M375 L379 L430 F431 L432 A436 L437I352-L434 HydrophobicContact CG1-CD2 3.93Å; V355-L434 HydrophobicContact CG1-CD1 3.71Å; L356-L434 HydrophobicContact CD1-CB 4.29Å; L356-L434 HydrophobicContact CD2-CB 4.02Å; L356-L434 HydrophobicContact CG-CB 4.46Å; M375-L434 HydrophobicContact CE-CD1 3.91Å; M375-L434 HydrophobicContact CE-CD2 3.93Å; L379-L434 HydrophobicContact CD1-CD2 3.9Å; L379-L434 HydrophobicContact CD1-CG 4.47Å; L430-L434 HydrophobicContact CD1-CD1 4.14Å; L430-L434 HydrophobicContact CD1-CG 4.29Å; L430-L434 HydrophobicContact CG-CD1 4.2Å; L430-L434 WeakPolarHBondContact O-CG 3.5Å; L430-L434 PolarHBondContact O-N 3.23Å; F431-L434 PolarHBondContact O-N 3.28Å; L432-L434 VanDerWaalsContact C-N 3.35Å; L432-L434 PolarHBondContact O-N 2.86Å; L434-A436 VanDerWaalsContact C-N 3.27Å; L434-A436 PolarHBondContact O-N 3.44Å; L434-L437 HydrophobicContact CD2-CD1 4.18Å; L434-L437 WeakPolarHBondContact O-CB 3.36Å; L434-L437 WeakPolarHBondContact O-CG 3.13Å; L434-L437 PolarHBondContact O-N 2.84Å
435L89.6Confident88.4Confident20 Ų2033.1 Ų33.111%0.10518%0.175CC..Hα-helixtrans-69.9-21.3177.8-71.4165.6000113.5F35 L356 W414 L418 F431 L432 L437F35-L435 HydrophobicContact CB-CB 3.79Å; F35-L435 HydrophobicContact CD1-CB 4.34Å; F35-L435 HydrophobicContact CD1-CD1 4.13Å; F35-L435 HydrophobicContact CD2-CB 3.82Å; F35-L435 HydrophobicContact CD2-CD1 4.43Å; F35-L435 HydrophobicContact CD2-CD2 4.13Å; F35-L435 HydrophobicContact CD2-CG 4.36Å; F35-L435 HydrophobicContact CE1-CD1 4.12Å; F35-L435 HydrophobicContact CE2-CB 4.5Å; F35-L435 HydrophobicContact CE2-CD1 4.42Å; F35-L435 HydrophobicContact CE2-CD2 4.03Å; F35-L435 HydrophobicContact CG-CB 3.72Å; F35-L435 HydrophobicContact CG-CD1 4.29Å; F35-L435 HydrophobicContact CG-CG 4.46Å; F35-L435 HydrophobicContact CZ-CD1 4.26Å; L356-L435 HydrophobicContact CD2-CD2 3.76Å; L356-L435 HydrophobicContact CD2-CG 4.01Å; W414-L435 HydrophobicContact CD2-CD1 4.07Å; W414-L435 HydrophobicContact CD2-CD2 4.18Å; W414-L435 HydrophobicContact CE3-CD1 4.05Å; W414-L435 HydrophobicContact CG-CD1 4.41Å; W414-L435 HydrophobicContact CG-CD2 4.47Å; W414-L435 HydrophobicContact CZ2-CD2 4.24Å; L418-L435 HydrophobicContact CD1-CD1 3.98Å; L418-L435 HydrophobicContact CD2-CD1 4.45Å; F431-L435 WeakPolarHBondContact O-CB 3.15Å; F431-L435 WeakPolarHBondContact O-CD1 3.44Å; F431-L435 VanDerWaalsContact O-CG 3.28Å; F431-L435 WeakPolarHBondContact O-CG 3.5Å; F431-L435 PolarHBondContact O-N 2.89Å; L432-L435 PolarHBondContact O-N 3.27Å; L435-L437 VanDerWaalsContact C-N 3.35Å
436A89.8Confident88.4Confident2 Ų228.9 Ų28.92%0.01715%0.147CC..THydrogen-bonded Turntrans-82-8.1174.200000113.9P10 S12 V94 L432 L434P10-A436 HydrophobicContact CB-CB 4.2Å; P10-A436 HydrophobicContact CG-CB 4.15Å; P10-A436 WeakPolarHBondContact O-CB 3.47Å; S12-A436 WeakPolarHBondContact CB-O 3.43Å; S12-A436 PolarHBondContact OG-O 3.5Å; V94-A436 HydrophobicContact CG2-CB 4.18Å; L432-A436 WeakPolarHBondContact O-CB 3.19Å; L432-A436 PolarHBondContact O-N 2.97Å; L434-A436 VanDerWaalsContact C-N 3.27Å; L434-A436 PolarHBondContact O-N 3.44Å
437L90.8Very high88.3Confident19 Ų1929.1 Ų29.110%0.09914%0.144CC..SBendtrans-63.9152.1173.8-63177.5000111.1A95 L121 I352 L434 L435 S439A95-L437 HydrophobicContact CB-CD2 4.25Å; L121-L437 HydrophobicContact CD1-CD2 3.65Å; I352-L437 HydrophobicContact CD1-CD1 4.44Å; I352-L437 HydrophobicContact CG2-CD1 4.22Å; L434-L437 HydrophobicContact CD2-CD1 4.18Å; L434-L437 WeakPolarHBondContact O-CB 3.36Å; L434-L437 WeakPolarHBondContact O-CG 3.13Å; L434-L437 PolarHBondContact O-N 2.84Å; L435-L437 VanDerWaalsContact C-N 3.35Å; L437-S439 PolarHBondContact O-N 3.41Å
438P88.9Confident87.9Confident6 Ų631.6 Ų31.64%0.03916%0.164CC..  trans-59.6130.5169.4-24.436.3000111.5Y14 L123 L248 S440 L441Y14-P438 HydrophobicContact CE1-CB 3.73Å; Y14-P438 HydrophobicContact CE1-CG 3.88Å; Y14-P438 WeakPolarHBondContact OH-CA 3.32Å; Y14-P438 WeakPolarHBondContact OH-CB 3.27Å; L123-P438 HydrophobicContact CD1-CG 3.66Å; L248-P438 WeakPolarHBondContact CB-O 3.5Å; L248-P438 HydrophobicContact CD2-CB 4.14Å; L248-P438 HydrophobicContact CD2-CG 4.43Å; L248-P438 VanDerWaalsContact CD2-O 3.3Å; L248-P438 WeakPolarHBondContact CD2-O 3.32Å; P438-S440 PolarHBondContact O-N 3.07Å; P438-L441 HydrophobicContact CB-CD2 3.88Å; P438-L441 HydrophobicContact CG-CD2 4.07Å
439S85.9Confident87.6Confident29 Ų2933.3 Ų33.320%0.20317%0.171CC..SBendtrans-71.1-22.5167.571.20000111.7E247 L248 L437 K449E247-S439 CarbonylContact C-O 3.59Å; E247-S439 WeakPolarHBondContact CA-O 3.44Å; E247-S439 WeakPolarHBondContact CB-O 3.41Å; L248-S439 PolarHBondContact N-O 3.18Å; L437-S439 PolarHBondContact O-N 3.41Å; S439-K449 PolarHBondContact OG-NZ 3.34Å
440S88.2Confident87.2Confident2 Ų229 Ų291%0.01416%0.157CC..  trans-156.6155.2176.9-175.60000110.1P438 H442 Q445 V446P438-S440 PolarHBondContact O-N 3.07Å; S440-H442 PolarHBondContact OG-N 3.31Å; S440-H442 VanDerWaalsContact OG-N 3.15Å; S440-Q445 PolarHBondContact OG-OE1 3.36Å; S440-V446 VanDerWaalsContact O-CG2 3.27Å; S440-V446 WeakPolarHBondContact O-CG2 3.22Å
441L88.4Confident86.2Confident6 Ų631.5 Ų31.53%0.03117%0.174CC..  trans-102.5-9.4171.1-54.3179.6000112.1Y16 Y97 L123 I126 P127 L248 P438 Q443Y16-L441 PolarHBondContact OH-O 3.07Å; Y97-L441 HydrophobicContact CD1-CD2 4.35Å; Y97-L441 HydrophobicContact CD2-CB 4.39Å; Y97-L441 HydrophobicContact CD2-CD1 3.91Å; Y97-L441 HydrophobicContact CD2-CD2 3.98Å; Y97-L441 HydrophobicContact CD2-CG 4.31Å; Y97-L441 HydrophobicContact CE1-CB 4.45Å; Y97-L441 HydrophobicContact CE2-CB 4.26Å; Y97-L441 HydrophobicContact CE2-CD1 4.13Å; Y97-L441 HydrophobicContact CG-CD2 3.82Å; L123-L441 HydrophobicContact CB-CD1 4.22Å; L123-L441 HydrophobicContact CB-CD2 4.33Å; L123-L441 HydrophobicContact CD1-CD2 4.2Å; I126-L441 HydrophobicContact CB-CD1 3.96Å; I126-L441 HydrophobicContact CG2-CD1 4.25Å; P127-L441 HydrophobicContact CG-CD1 4.21Å; L248-L441 HydrophobicContact CD1-CD1 4.04Å; L248-L441 HydrophobicContact CD1-CG 4.26Å; P438-L441 HydrophobicContact CB-CD2 3.88Å; P438-L441 HydrophobicContact CG-CD2 4.07Å; L441-Q443 PolarHBondContact O-N 2.87Å
442H86.2Confident84.7Confident71 Ų7135.5 Ų35.533%0.32920%0.201SC..  trans-72.4124.4-174.3-164.5-93.7000111.7S440 T444 Q445 V446S440-H442 PolarHBondContact OG-N 3.31Å; S440-H442 VanDerWaalsContact OG-N 3.15Å; H442-T444 VanDerWaalsContact C-N 3.32Å; H442-T444 PolarHBondContact CE1-OG1 2.84Å; H442-T444 VanDerWaalsContact CE1-OG1 3.29Å; H442-T444 PolarHBondContact ND1-OG1 2.92Å; H442-T444 PolarHBondContact O-N 3.27Å; H442-Q445 HydrophobicContact CB-CG 4.5Å; H442-Q445 PolarHBondContact O-N 3.42Å; H442-V446 PolarHBondContact O-N 3.23Å; H442-V446 VanDerWaalsContact O-N 3.13Å
443Q85.1Confident83.2Confident83 Ų8338.7 Ų38.739%0.38821%0.213SC..Hα-helixtrans-52.7-45.2-169.6-172.3-176.4-300113.1Y16 L441 Q445 V446 F447Y16-Q443 HydrophobicContact CD1-CB 3.97Å; Y16-Q443 HydrophobicContact CD1-CG 3.82Å; Y16-Q443 HydrophobicContact CE1-CB 3.71Å; Y16-Q443 HydrophobicContact CE1-CG 4Å; Y16-Q443 HydrophobicContact CG-CG 4.37Å; L441-Q443 PolarHBondContact O-N 2.87Å; Q443-Q445 PolarHBondContact O-N 3.22Å; Q443-V446 PolarHBondContact O-N 2.66Å; Q443-F447 HydrophobicContact CG-CD2 3.71Å; Q443-F447 HydrophobicContact CG-CE2 3.67Å; Q443-F447 WeakPolarHBondContact O-CB 3.28Å; Q443-F447 VanDerWaalsContact O-CD2 3.24Å; Q443-F447 WeakPolarHBondContact O-CD2 3.46Å; Q443-F447 PolarHBondContact O-N 3.45Å
444T83.1Confident81.8Confident96 Ų9643 Ų4359%0.58924%0.235SC*.Hα-helixtrans-62.4-40-178.759.40000112.7H442 A448H442-T444 VanDerWaalsContact C-N 3.32Å; H442-T444 PolarHBondContact CE1-OG1 2.84Å; H442-T444 VanDerWaalsContact CE1-OG1 3.29Å; H442-T444 PolarHBondContact ND1-OG1 2.92Å; H442-T444 PolarHBondContact O-N 3.27Å; T444-A448 VanDerWaalsContact O-CB 3.29Å; T444-A448 WeakPolarHBondContact O-CB 3.09Å; T444-A448 PolarHBondContact O-N 2.97Å
445Q84.4Confident79.7Confident57 Ų5749.2 Ų49.227%0.26626%0.262SS..Hα-helixtrans-68.6-44.5177.7-66.2-161.46.600111.5G244 I245 S440 H442 Q443 A448 K449G244-Q445 PolarHBondContact O-NE2 3.05Å; I245-Q445 PolarHBondContact O-NE2 3.42Å; S440-Q445 PolarHBondContact OG-OE1 3.36Å; H442-Q445 HydrophobicContact CB-CG 4.5Å; H442-Q445 PolarHBondContact O-N 3.42Å; Q443-Q445 PolarHBondContact O-N 3.22Å; Q445-A448 WeakPolarHBondContact O-CB 3.32Å; Q445-A448 PolarHBondContact O-N 2.83Å; Q445-K449 PolarHBondContact O-N 2.86Å
446V87.3Confident77.8Confident4 Ų453.3 Ų53.32%0.02428%0.28CS..Hα-helixtrans-68.9-41-176.8-1790000111Y14 Y16 L31 V44 S440 H442 Q443 A448 K449 V450Y14-V446 HydrophobicContact CD1-CG1 3.94Å; Y14-V446 HydrophobicContact CD1-CG2 4.39Å; Y14-V446 HydrophobicContact CE1-CG1 3.86Å; Y14-V446 HydrophobicContact CE1-CG2 4Å; Y14-V446 HydrophobicContact CG-CG1 4.45Å; Y16-V446 HydrophobicContact CE2-CB 4.34Å; Y16-V446 HydrophobicContact CE2-CG1 4.07Å; Y16-V446 WeakPolarHBondContact OH-CG2 3.46Å; L31-V446 HydrophobicContact CD1-CG1 3.68Å; V44-V446 HydrophobicContact CG1-CG1 3.96Å; S440-V446 VanDerWaalsContact O-CG2 3.27Å; S440-V446 WeakPolarHBondContact O-CG2 3.22Å; H442-V446 PolarHBondContact O-N 3.23Å; H442-V446 VanDerWaalsContact O-N 3.13Å; Q443-V446 PolarHBondContact O-N 2.66Å; V446-A448 VanDerWaalsContact C-N 3.35Å; V446-K449 PolarHBondContact O-N 3.08Å; V446-V450 PolarHBondContact O-N 2.98Å
447F85.9Confident76Confident62 Ų6257 Ų5727%0.27230%0.299SS..Hα-helixtrans-69.2-30.2173.8-81.4-114.9000112.6Y16 V19 V29 L31 Q443 K449 V450 S451Y16-F447 HydrophobicContact CD1-CE2 4.49Å; Y16-F447 AromaticContact CD2-CE2 3.65Å; Y16-F447 HydrophobicContact CD2-CE2 3.65Å; Y16-F447 HydrophobicContact CD2-CZ 4.46Å; Y16-F447 HydrophobicContact CE2-CE2 4.13Å; Y16-F447 AromaticContact CG-CE2 3.86Å; Y16-F447 HydrophobicContact CG-CE2 3.86Å; V19-F447 HydrophobicContact CG1-CE1 4.46Å; V19-F447 HydrophobicContact CG1-CZ 4.39Å; V19-F447 HydrophobicContact CG2-CZ 4.27Å; V29-F447 HydrophobicContact CB-CZ 3.99Å; V29-F447 HydrophobicContact CG1-CE1 4.18Å; V29-F447 HydrophobicContact CG1-CZ 3.78Å; V29-F447 HydrophobicContact CG2-CZ 4.25Å; L31-F447 HydrophobicContact CD1-CD2 4.27Å; L31-F447 HydrophobicContact CD1-CE2 4.09Å; Q443-F447 HydrophobicContact CG-CD2 3.71Å; Q443-F447 HydrophobicContact CG-CE2 3.67Å; Q443-F447 WeakPolarHBondContact O-CB 3.28Å; Q443-F447 VanDerWaalsContact O-CD2 3.24Å; Q443-F447 WeakPolarHBondContact O-CD2 3.46Å; Q443-F447 PolarHBondContact O-N 3.45Å; F447-K449 VanDerWaalsContact C-N 3.35Å; F447-K449 PolarHBondContact O-N 3.32Å; F447-V450 PolarHBondContact O-N 3.3Å; F447-S451 PolarHBondContact O-N 3.41Å
448A83.1Confident73.5Confident51 Ų5162 Ų6242%0.42132%0.321SS..Hα-helixtrans-62.3-40.1172.600000112.1T444 Q445 V446 V450 S451 C452T444-A448 VanDerWaalsContact O-CB 3.29Å; T444-A448 WeakPolarHBondContact O-CB 3.09Å; T444-A448 PolarHBondContact O-N 2.97Å; Q445-A448 WeakPolarHBondContact O-CB 3.32Å; Q445-A448 PolarHBondContact O-N 2.83Å; V446-A448 VanDerWaalsContact C-N 3.35Å; A448-V450 VanDerWaalsContact C-N 3.32Å; A448-V450 PolarHBondContact O-N 3.43Å; A448-S451 PolarHBondContact O-N 3.35Å; A448-C452 PolarHBondContact O-N 3.01Å; A448-C452 PolarHBondContact O-SG 3.06Å
449K82.9Confident71Confident65 Ų6567.6 Ų67.628%0.28335%0.346SS..Hα-helixtrans-58.1-42.4172.6-74.7-172.2167.8-177.40112.1S42 V44 S439 Q445 V446 F447 Y453S42-K449 PolarHBondContact OG-NZ 2.85Å; V44-K449 HydrophobicContact CB-CB 4.18Å; V44-K449 HydrophobicContact CG2-CB 4.3Å; V44-K449 HydrophobicContact CG2-CD 3.96Å; S439-K449 PolarHBondContact OG-NZ 3.34Å; Q445-K449 PolarHBondContact O-N 2.86Å; V446-K449 PolarHBondContact O-N 3.08Å; F447-K449 VanDerWaalsContact C-N 3.35Å; F447-K449 PolarHBondContact O-N 3.32Å; K449-Y453 PolarHBondContact O-N 3.23Å
450V81.8Confident68.9Low19 Ų1969.5 Ų69.512%0.11536%0.356CS..Hα-helixtrans-63.5-44.1175.9-177.50000111.3L31 V44 V446 F447 A448 Y453 I454L31-V450 HydrophobicContact CD1-CG2 4.24Å; L31-V450 HydrophobicContact CD2-CG2 4.3Å; V44-V450 HydrophobicContact CB-CG2 4.29Å; V44-V450 HydrophobicContact CG1-CG2 3.9Å; V446-V450 PolarHBondContact O-N 2.98Å; F447-V450 PolarHBondContact O-N 3.3Å; A448-V450 VanDerWaalsContact C-N 3.32Å; A448-V450 PolarHBondContact O-N 3.43Å; V450-Y453 PolarHBondContact O-N 2.99Å; V450-I454 HydrophobicContact CG1-CD1 4.18Å; V450-I454 WeakPolarHBondContact O-CG1 3.48Å; V450-I454 PolarHBondContact O-N 3.46Å
451S69.2Low66.4Low53 Ų5374.4 Ų74.437%0.37138%0.377SS..Hα-helixtrans-63.2-43178.8-170.90000112.9F447 A448 Y453 I454 K455F447-S451 PolarHBondContact O-N 3.41Å; A448-S451 PolarHBondContact O-N 3.35Å; S451-Y453 VanDerWaalsContact C-N 3.32Å; S451-Y453 PolarHBondContact O-N 2.97Å; S451-I454 PolarHBondContact O-N 3.46Å; S451-K455 WeakPolarHBondContact O-CG 3.42Å; S451-K455 PolarHBondContact O-N 3.15Å; S451-K455 VanDerWaalsContact O-N 3.1Å
452C59.7Low64.1Low83 Ų8379 Ų7956%0.56140%0.402SS*.Hα-helixtrans-63.3-36.6177.2-71.80000112.4A448 K455 H456A448-C452 PolarHBondContact O-N 3.01Å; A448-C452 PolarHBondContact O-SG 3.06Å; C452-K455 PolarHBondContact O-N 2.9Å; C452-H456 PolarHBondContact O-N 2.96Å
453Y57.2Low61.8Low78 Ų7882.2 Ų82.231%0.30642%0.417SS..Hα-helixtrans-65.5-40.6175.1-176-108.7000112.6K45 K449 V450 S451 H456 I457K45-Y453 HydrophobicContact CD-CD1 4.48Å; K45-Y453 HydrophobicContact CD-CE1 3.97Å; K45-Y453 WeakPolarHBondContact CE-OH 3.31Å; K45-Y453 HydrophobicContact CG-CD1 4.19Å; K45-Y453 HydrophobicContact CG-CE1 4.18Å; K45-Y453 PolarHBondContact NZ-OH 3.26Å; K449-Y453 PolarHBondContact O-N 3.23Å; V450-Y453 PolarHBondContact O-N 2.99Å; S451-Y453 VanDerWaalsContact C-N 3.32Å; S451-Y453 PolarHBondContact O-N 2.97Å; Y453-H456 PolarHBondContact O-N 2.85Å; Y453-I457 HydrophobicContact CD1-CD1 4.09Å; Y453-I457 HydrophobicContact CE1-CD1 3.47Å; Y453-I457 VanDerWaalsContact CE1-CD1 3.47Å; Y453-I457 HydrophobicContact CE1-CG1 4.3Å; Y453-I457 PolarHBondContact O-N 3.15Å; Y453-I457 VanDerWaalsContact O-N 3.09Å
454I58.6Low59.4Low95 Ų9581.7 Ų81.749%0.48743%0.427SS..Hα-helixtrans-61.5-48.1175.9-66.9164.1000110.8V450 S451 H456 I457 E458V450-I454 HydrophobicContact CG1-CD1 4.18Å; V450-I454 WeakPolarHBondContact O-CG1 3.48Å; V450-I454 PolarHBondContact O-N 3.46Å; S451-I454 PolarHBondContact O-N 3.46Å; I454-H456 VanDerWaalsContact C-N 3.28Å; I454-H456 PolarHBondContact O-N 3.11Å; I454-I457 PolarHBondContact O-N 3.5Å; I454-I457 VanDerWaalsContact O-N 3.16Å; I454-E458 PolarHBondContact O-N 3.27Å; I454-E458 VanDerWaalsContact O-N 3.09Å
455K47.7Very low57Low133 Ų13384.6 Ų84.658%0.57843%0.432SS*.Hα-helixtrans-60.6-36.7176.9-67.9175.5-175.6177.50112.5S451 C452 E458 F459S451-K455 WeakPolarHBondContact O-CG 3.42Å; S451-K455 PolarHBondContact O-N 3.15Å; S451-K455 VanDerWaalsContact O-N 3.1Å; C452-K455 PolarHBondContact O-N 2.9Å; K455-E458 PolarHBondContact O-N 3.27Å; K455-F459 PolarHBondContact O-N 3.39Å
456H49.9Very low54.4Low106 Ų10685.4 Ų85.449%0.49146%0.456SS..Hα-helixtrans-64.6-42175.5-169.9-62.5000111.9C452 Y453 I454 F459 T460C452-H456 PolarHBondContact O-N 2.96Å; Y453-H456 PolarHBondContact O-N 2.85Å; I454-H456 VanDerWaalsContact C-N 3.28Å; I454-H456 PolarHBondContact O-N 3.11Å; H456-F459 PolarHBondContact O-N 3.19Å; H456-T460 PolarHBondContact CE1-OG1 3.12Å; H456-T460 PolarHBondContact ND1-OG1 3.01Å; H456-T460 PolarHBondContact O-N 2.85Å; H456-T460 PolarHBondContact O-OG1 2.8Å; H456-T460 VanDerWaalsContact O-OG1 3.08Å
457I51.1Low51.7Low79 Ų7991.1 Ų91.141%0.40549%0.494SS..Hα-helixtrans-59.8-48.2174-71174.1000110.4Y453 I454 F459 T460 F461Y453-I457 HydrophobicContact CD1-CD1 4.09Å; Y453-I457 HydrophobicContact CE1-CD1 3.47Å; Y453-I457 VanDerWaalsContact CE1-CD1 3.47Å; Y453-I457 HydrophobicContact CE1-CG1 4.3Å; Y453-I457 PolarHBondContact O-N 3.15Å; Y453-I457 VanDerWaalsContact O-N 3.09Å; I454-I457 PolarHBondContact O-N 3.5Å; I454-I457 VanDerWaalsContact O-N 3.16Å; I457-F459 VanDerWaalsContact C-N 3.26Å; I457-F459 PolarHBondContact O-N 2.98Å; I457-T460 PolarHBondContact O-N 2.98Å; I457-F461 WeakPolarHBondContact O-CB 3.48Å; I457-F461 PolarHBondContact O-N 3.18Å
458E39.6Very low48.8Very low123 Ų12397 Ų9758%0.57552%0.523SS*.Hα-helixtrans-58.2-38.7178.4-68.6-164.5114.700112.5I454 K455 N462I454-E458 PolarHBondContact O-N 3.27Å; I454-E458 VanDerWaalsContact O-N 3.09Å; K455-E458 PolarHBondContact O-N 3.27Å; E458-N462 PolarHBondContact O-N 3.01Å; E458-N462 PolarHBondContact O-ND2 3.18Å
459F36.4Very low46.6Very low125 Ų125104.2 Ų104.255%0.54854%0.544SS..Hα-helixtrans-66.6-51.7177.4-170.2-95.3000112.3K455 H456 I457 F461 N462 Q463K455-F459 PolarHBondContact O-N 3.39Å; H456-F459 PolarHBondContact O-N 3.19Å; I457-F459 VanDerWaalsContact C-N 3.26Å; I457-F459 PolarHBondContact O-N 2.98Å; F459-F461 VanDerWaalsContact C-N 3.31Å; F459-F461 PolarHBondContact O-N 3.32Å; F459-N462 PolarHBondContact O-N 3.31Å; F459-Q463 HydrophobicContact CE1-CG 4.24Å; F459-Q463 PolarHBondContact O-N 3.33Å; F459-Q463 VanDerWaalsContact O-N 3.14Å
460T41.4Very low43.9Very low69 Ų69107.8 Ų107.842%0.42357%0.571SS.*Hα-helixtrans-61.8-38.8178.5-48.60000111.7H456 I457 N462 Q463 A464H456-T460 PolarHBondContact CE1-OG1 3.12Å; H456-T460 PolarHBondContact ND1-OG1 3.01Å; H456-T460 PolarHBondContact O-N 2.85Å; H456-T460 PolarHBondContact O-OG1 2.8Å; H456-T460 VanDerWaalsContact O-OG1 3.08Å; I457-T460 PolarHBondContact O-N 2.98Å; T460-N462 PolarHBondContact O-N 2.83Å; T460-Q463 PolarHBondContact O-N 2.87Å; T460-A464 PolarHBondContact O-N 3.17Å
461F36.3Very low41.3Very low104 Ų104116.1 Ų116.146%0.45661%0.606SS.*Hα-helixtrans-72.9-0.8175.8-136.4-78.5000113.7I457 F459 Y492 K493I457-F461 WeakPolarHBondContact O-CB 3.48Å; I457-F461 PolarHBondContact O-N 3.18Å; F459-F461 VanDerWaalsContact C-N 3.31Å; F459-F461 PolarHBondContact O-N 3.32Å; F461-Y492 HydrophobicContact CE1-CD2 4.45Å; F461-Y492 AromaticContact CE1-CE2 3.67Å; F461-Y492 HydrophobicContact CE1-CE2 3.67Å; F461-Y492 AromaticContact CE1-CZ 3.77Å; F461-Y492 HydrophobicContact CZ-CE2 4.13Å; F461-K493 PolarHBondContact O-NZ 3.22Å
462N39Very low39.1Very low102 Ų102120.4 Ų120.455%0.54563%0.63SS.*Hα-helixtrans-106.3-23.3169.7-68.5-27000112.5E458 F459 T460 K493E458-N462 PolarHBondContact O-N 3.01Å; E458-N462 PolarHBondContact O-ND2 3.18Å; F459-N462 PolarHBondContact O-N 3.31Å; T460-N462 PolarHBondContact O-N 2.83Å; N462-K493 PolarHBondContact OD1-NZ 3.15Å
463Q37.3Very low37.4Very low139 Ų139123.6 Ų123.665%0.6563%0.634SS**Hα-helixtrans-77.2-32.8173.9-81-173.7-3300113.5F459 T460 F465F459-Q463 HydrophobicContact CE1-CG 4.24Å; F459-Q463 PolarHBondContact O-N 3.33Å; F459-Q463 VanDerWaalsContact O-N 3.14Å; T460-Q463 PolarHBondContact O-N 2.87Å; Q463-F465 VanDerWaalsContact C-N 3.28Å; Q463-F465 PolarHBondContact O-N 3.31Å
464A35.2Very low35.9Very low73 Ų73126.7 Ų126.760%0.60365%0.651SS**SBendtrans-70.6-12.5-171.400000115.9T460T460-A464 PolarHBondContact O-N 3.17Å
465F33.7Very low34.3Very low157 Ų157127.9 Ų127.969%0.68966%0.658SS**SBendtrans-139.597.1-177.7-77.5-85.7000111.8Q463 Y492Q463-F465 VanDerWaalsContact C-N 3.28Å; Q463-F465 PolarHBondContact O-N 3.31Å; F465-Y492 WeakPolarHBondContact CD2-OH 3.28Å
466G29.7Very low33.3Very low74 Ų74130.3 Ų130.376%0.76367%0.672SS**  trans-110.3114.8-177.100000114.6
467C29.1Very low32.2Very low124 Ų124129.9 Ų129.984%0.83868%0.681SS**  trans66115154.6-1580000120.2
468Q26.8Very low31.1Very low186 Ų186131.5 Ų131.587%0.86970%0.699SS**  -151.7153.2122.2-109.8179.815.100110.4
469K36.1Very low30.5Very low202 Ų202130.3 Ų130.388%0.87871%0.705SS**  trans-124.7126.3175.6-87.4-177.1174.7176.40109.6
470V26.5Very low30.1Very low140 Ų140133.1 Ų133.185%0.84872%0.719SS**  trans-137.7145.7165.6-176.20000108.5
471K26Very low29.4Very low193 Ų193137.1 Ų137.184%0.83974%0.738SS**  trans-96.6153.4175-70.6177.6173.1179.20110.5
472V23.6Very low28.9Very low144 Ų144138.6 Ų138.687%0.87375%0.751SS**  172.5164.8119.5153.30000110.6
473K23.7Very low28.3Very low150 Ų150141.5 Ų141.565%0.65276%0.759SS**  trans-81.6178.7-178-50.3152.679.6-155.90110.1
474H25.6Very low27.6Very low143 Ų143140.1 Ų140.166%0.66276%0.764SS**  cis-153.3-177.915.8-89.1-83.3000106.8
475D25Very low28.1Very low120 Ų120142.1 Ų142.164%0.64277%0.771SS**  -165.3-142.2-51.2-87.7-19.9000106.5
476E27Very low27.6Very low183 Ų183139.3 Ų139.386%0.85578%0.776SS**  trans60.2100.8166.3-73.9-175.7173.500123.1
477S27.9Very low27.4Very low98 Ų98140 Ų14069%0.68578%0.775SS**  50137.5127.358.90000126.1
478S27.1Very low27Very low113 Ų113143.8 Ų143.879%0.7978%0.777SS**  trans71159146.270.10000119.9
479S27.3Very low27.8Very low98 Ų98140 Ų14069%0.68577%0.769SS**  cis-168.7153.4-39.553.80000110.9
480E27.6Very low27.1Very low183 Ų183137.3 Ų137.386%0.85576%0.763SS**  trans71.4130.9163.5-62.7-176.8167.300121.8
481D26.5Very low27Very low153 Ų153137.5 Ų137.582%0.81876%0.758SS**  trans17.7132.1147.9-61.94.1000123.6
482D26.7Very low26.7Very low135 Ų135134.8 Ų134.872%0.72274%0.743SS**  -165.3-167.289-152.3-11.6000111.7
483K26.8Very low26.7Very low164 Ų164132.6 Ų132.671%0.71372%0.722SS**  trans-102.2143.6-154.1-65159.6-158.887.40117.6
484S21.8Very low26.8Very low109 Ų109133.1 Ų133.176%0.76273%0.725SS**  trans75.2163.2139.579.50000119.7
485P46.2Very low26.9Very low116 Ų116134 Ų13475%0.75373%0.731SS**  cis-135.4173.5-40.532.8-15.1000115.4
486A23.3Very low26.9Very low97 Ų97138.9 Ų138.980%0.80274%0.74SS**  trans88.7128.1150.400000122.6
487A24Very low27.7Very low88 Ų88138.3 Ų138.373%0.72774%0.737SS**  trans73.186.2139.700000123.1
488K22.4Very low27.4Very low205 Ų205140 Ų14089%0.89174%0.739SS**  trans69.7161.6142.1-61.8178.5178.31780118.4
489P43.4Very low27.4Very low107 Ų107144.7 Ų144.770%0.69574%0.739SS**  cis-132.2-170.5-35.630.5-9.1000113.3
490L21.2Very low27.2Very low144 Ų144144.8 Ų144.875%0.75474%0.74SS**  trans109.3123.3153-58.2171.1000120.9
491I23.8Very low27.6Very low145 Ų145141.2 Ų141.274%0.74473%0.73SS**  84.5123.8129-73.7173.7000123.2
492Y20Very low28Very low135 Ų135140.6 Ų140.653%0.52973%0.727SS.*  trans88-179.2152.2-106.8-112.1000124.3F461 F465F461-Y492 HydrophobicContact CE1-CD2 4.45Å; F461-Y492 AromaticContact CE1-CE2 3.67Å; F461-Y492 HydrophobicContact CE1-CE2 3.67Å; F461-Y492 AromaticContact CE1-CZ 3.77Å; F461-Y492 HydrophobicContact CZ-CE2 4.13Å; F465-Y492 WeakPolarHBondContact CD2-OH 3.28Å
493K23.6Very low27.9Very low99 Ų99142 Ų14243%0.4373%0.734SS.*  trans-107.7135.9-143.8-98.9177.4174.11760116F461 N462F461-K493 PolarHBondContact O-NZ 3.22Å; N462-K493 PolarHBondContact OD1-NZ 3.15Å
494K25.5Very low28Very low161 Ų161142.1 Ų142.170%0.774%0.739SS**  67.6114.6124.7-165.2179.9-173.8174.70122.3
495M27.2Very low28.2Very low162 Ų162144.3 Ų144.380%0.79874%0.743SS**  trans61154147.7-65.1176165.400118.5
496R24.6Very low27.3Very low221 Ų221148.5 Ų148.583%0.83475%0.745SS**  cis-157-173.621.1-144.4174.5-172.8-176.81.4112.1
497H43.9Very low27.5Very low171 Ų171150 Ų15079%0.79274%0.744SS**  trans-60.5162.1-178.6-54.5-78.2000117.6
498N22.6Very low27.5Very low135 Ų135152.4 Ų152.472%0.72275%0.745SS**  trans-142.8161.1150.9-91.3-36.7000105.6
499R27.6Very low27.5Very low210 Ų210148.9 Ų148.979%0.79274%0.736SS**  cis-155.2-178.2-6.7-108.8163.6-168.1-171.7-1.1105.4
500S23.4Very low26.8Very low100 Ų100149.2 Ų149.270%0.69974%0.741SS**  cis-142.4-173.115.762.30000109.1
501V35.3Very low27.3Very low108 Ų108147.6 Ų147.666%0.65574%0.742SS**  cis76.513015.4163.90000115.4
502D34.4Very low27.3Very low140 Ų140143.8 Ų143.875%0.74974%0.738SS**  cis-160.6160.1-22.9-88.9-25.3000106.1
503D25.3Very low27.6Very low165 Ų165148.1 Ų148.188%0.88275%0.753SS**  trans-167.6175.4140.3-129.9-33.4000115.2
504M28.4Very low27.6Very low166 Ų166148.8 Ų148.882%0.81877%0.765SS**  trans-99.5175.1-173.1-62-169-179.200116.3
505D26.5Very low27.4Very low155 Ų155148 Ų14883%0.82977%0.768SS**  126.3175116.2-133.7-13.3000119
506Y27Very low27.7Very low205 Ų205144.9 Ų144.980%0.80476%0.762SS**  trans-100.7169.2-161.2-127.6-96.8000114.9
507T27.6Very low27.6Very low127 Ų127141.6 Ų141.678%0.77976%0.761SS**  trans75.5126.3162.957.70000122.1
508D24.3Very low27Very low140 Ų140139.5 Ų139.575%0.74976%0.76SS**  trans96.9121.4136.4-134.247.8000124
509N22.9Very low27Very low130 Ų130140.6 Ų140.670%0.69576%0.764SS**  trans42.8106151.8-75.8-45.4000123.4
510S28.7Very low26.9Very low115 Ų115137.3 Ų137.380%0.80476%0.762SS**  trans61.1116.7132.8-164.80000119.2
511S30.3Very low26.8Very low110 Ų110138.5 Ų138.577%0.76976%0.76SS**  cis-164.7-178-2.8630000107
512G25.2Very low26.2Very low64 Ų64138.7 Ų138.766%0.6676%0.761SS**  cis155.4155.89.700000106.7
513W25.7Very low25.6Very low227 Ų227140.9 Ų140.986%0.8677%0.767SS**  cis-128.2143.78.4-86.264.3000108.9
514V24.4Very low25.4Very low113 Ų113141.5 Ų141.569%0.68576%0.764SS**  47.296.197.2-1690000111.7
515L21Very low26.2Very low145 Ų145138.3 Ų138.376%0.75976%0.756SS**  76.3131.872.1-161.885.6000112.8
516S33.5Very low26Very low96 Ų96135.9 Ų135.967%0.67175%0.747SS**  trans-69.8154.2165.652.70000111.8
517D21Very low25.7Very low151 Ų151135.4 Ų135.481%0.80775%0.749SS**  trans-148.1155.7149.4-109.6-37.9000112.9
518V33Very low25.5Very low128 Ų128134.4 Ų134.478%0.77675%0.747SS**  trans-122.1116.1-175.4172.20000109.2
519I21.3Very low26Very low157 Ų157133.4 Ų133.481%0.80575%0.748SS**  trans-137.492.3161.7-54.3-177.5000109.1
520D24.7Very low25.9Very low141 Ų141132 Ų13275%0.75476%0.755SS**  21.5165.6122.1-155.712.9000121.8
521I22.6Very low25.7Very low125 Ų125129.8 Ų129.864%0.64175%0.75SS**  trans98.6124.9159.7-52179.4000118.9
522T21.9Very low25.4Very low112 Ų112131.9 Ų131.969%0.68775%0.748SS**  trans71.7117.3158.547.20000124.2
523E22.8Very low25.3Very low187 Ų187138.8 Ų138.887%0.87475%0.754SS**  66.5161.4122.6-62.4-176.6169.300123
524E20.5Very low25.3Very low177 Ų177134.8 Ų134.883%0.82776%0.755SS**  trans-90.9-162.1-177.5-29.2179.8140.200112
525P44.3Very low25.2Very low99 Ų99138.2 Ų138.264%0.64376%0.76SS**  cis-129.1-160.9-28.820.14.1000112
526V22.5Very low25.3Very low104 Ų104138 Ų13863%0.6377%0.766SS**  trans95.7122.6144.9-1710000121.2
527K22.1Very low24.7Very low195 Ų195137.7 Ų137.785%0.84876%0.763SS**  trans73.9130.8151-77.2161.3-1551560122.4
528S22.2Very low24.9Very low107 Ų107140.2 Ų140.275%0.74877%0.767SS**  trans-74.1168.6153.357.50000111.5
529P34.5Very low24.3Very low118 Ų118139.7 Ų139.777%0.76676%0.764SS**  -157.1160.186.741.3-21.9000119.3
530A21.7Very low24.4Very low101 Ų101139.4 Ų139.484%0.83576%0.763SS**  trans66.6135.2137.300000124.2
531G24.9Very low24.2Very low69 Ų69139.7 Ų139.771%0.71177%0.765SS**  trans146.185170.700000109.8
532Q24Very low24.1Very low154 Ų154136.4 Ų136.472%0.7276%0.762SS**  49.9122.651.9-71.7-155.852.400112
533R23.2Very low24.2Very low208 Ų208140 Ų14079%0.78577%0.77SS**  cis-148.7162.611-102.9164.8-170.1-172.51.7108.3
534T24.2Very low24.1Very low143 Ų143141.3 Ų141.388%0.87777%0.774SS**  -154.6172.369.640.40000113.9
535K22.8Very low24.1Very low185 Ų185140 Ų14080%0.80477%0.771SS**  trans-131145.7-176.9-66.9179.1174.1-176.50111.7
536T23.6Very low22.9Very low141 Ų141144.9 Ų144.987%0.86578%0.782SS**  trans-163.3112.8140.737.10000107.1
537S21.2Very low22.8Very low89 Ų89147 Ų14762%0.62279%0.788SS**  cis92.393.914.191.80000117.8
538K24.3Very low22.7Very low204 Ų204143.5 Ų143.589%0.88778%0.783SS**  trans-168122.6150.3-95.9174.6-175.1-177.90104.9
539T20.8Very low22.7Very low118 Ų118144.9 Ų144.972%0.72479%0.787SS**  cis62.4126.716.91.70000111.8
540I22.6Very low22.2Very low150 Ų150144.2 Ų144.277%0.76979%0.785SS**  cis-148154.126.8-79.2168.8000107.1
541N21.3Very low22.5Very low148 Ų148146.7 Ų146.779%0.79179%0.785SS**  cis-143.1-164.40.1-132.632.5000108.2
542G21.4Very low22.7Very low56 Ų56152 Ų15258%0.57779%0.791SS**  cis119.889.1-10.700000116.1
543E23.1Very low22.7Very low187 Ų187152.2 Ų152.287%0.87479%0.792SS**  trans-161.8131.3166.2-155.7167.1-11900111.1
544F21.8Very low23.1Very low214 Ų214150.4 Ų150.494%0.93980%0.798SS**  trans-174.5106.2162.5-101.3-63.3000109.4
545I20.4Very low23Very low151 Ų151151.3 Ų151.377%0.77479%0.792SS**  trans-138.3116.7178.4-70.6-177.5000110.1
546F18.9Very low23.2Very low201 Ų201147.3 Ų147.388%0.88279%0.788SS**  trans40.6156.1147.3-79.6-93.6000124.2
547I19.6Very low23.1Very low147 Ų147151.8 Ų151.875%0.75479%0.789SS**  trans104.196.5154.5-49.2-162.7000118.1
548V21.1Very low23.1Very low123 Ų123152.9 Ų152.975%0.74579%0.787SS**  42.9155.1125-161.70000121.1
549T21.4Very low23Very low136 Ų136148.2 Ų148.283%0.83478%0.781SS**  trans86.7151.2171.473.40000115.4
550S23.3Very low23.1Very low103 Ų103147.7 Ų147.772%0.7278%0.778SS**  cis-135.7158.45.861.50000113.4
551D28.8Very low23.2Very low154 Ų154147.3 Ų147.382%0.82478%0.782SS**  trans-82.1171.5152.8-65.5-71.7000109.7
552E28.3Very low23.2Very low181 Ų181148.7 Ų148.785%0.84678%0.781SS**  trans67.6155.3174.4-57.3-173.1-176.200113.8
553E25.1Very low23.3Very low158 Ų158153.5 Ų153.574%0.73879%0.793SS**  cis-126.9150.126.1-54179.2128.300115Q555E553-Q555 PolarHBondContact OE2-NE2 3.44Å
554D30.3Very low23.4Very low170 Ų170150.9 Ų150.991%0.90979%0.792SS**  trans-78.5126.4148.9-94.9-47.6000108.9
555Q22.9Very low23.4Very low162 Ų162143.3 Ų143.376%0.75778%0.775SS**  trans-136.6125.3156.6-71.9-156.330.200113.1E553E553-Q555 PolarHBondContact OE2-NE2 3.44Å
556S26.7Very low23.4Very low101 Ų101142.5 Ų142.571%0.70678%0.781SS**  trans-98.5135.5178.9155.40000111.1
557W21.9Very low23.5Very low234 Ų234139.7 Ų139.789%0.88677%0.77SS**  trans-160.793.3150.6-141.7-94000108.2
558D20.8Very low23.6Very low112 Ų112142.1 Ų142.160%0.59978%0.779SS**  41.4111.886.4-166.512.7000115.3
559S23.1Very low23.7Very low106 Ų106143.5 Ų143.574%0.74178%0.775SS**  trans-166.278.2154.6-86.10000111.9
560T22Very low23.6Very low108 Ų108142 Ų14266%0.66377%0.77SS**  trans-32.9127.9164.6-64.40000117K562T560-K562 HydrophobicContact CG2-CG 4.26Å
561T24.3Very low23.5Very low142 Ų142141.9 Ų141.987%0.87176%0.764SS**  trans-135.776.7156.7-13.80000114.1
562K21.2Very low23.1Very low176 Ų176140.9 Ų140.977%0.76576%0.759SS**  trans22.1116.2143-62.6175178.8174.90120.1T560T560-K562 HydrophobicContact CG2-CG 4.26Å
563L23.7Very low22.8Very low158 Ų158143 Ų14383%0.82776%0.759SS**  20.4139.3114.5-77165.2000118.6
564P25.1Very low22.6Very low132 Ų132145.6 Ų145.686%0.85776%0.764SS**  -133.6175.556.539.9-26.5000115.1
565G22.6Very low22.2Very low55 Ų55146.7 Ų146.757%0.56776%0.761SS**  cis146.2119.6-8.800000113.7
566C20.2Very low22.1Very low134 Ų134148 Ų14891%0.90577%0.767SS**  trans64.8157.1176.3-58.80000116.3
567E21.4Very low21.9Very low142 Ų142149 Ų14966%0.66477%0.769SS**  cis-126.8149.81.9-62.3170.1116.400111.2K569E567-K569 WeakPolarHBondContact OE1-CE 3.23Å; E567-K569 IonicContact OE1-NZ 2.93Å; E567-K569 PolarHBondContact OE1-NZ 2.89Å; E567-K569 WeakPolarHBondContact OE2-CE 3.49Å; E567-K569 IonicContact OE2-NZ 3.03Å; E567-K569 PolarHBondContact OE2-NZ 2.88Å
568E22.5Very low22Very low198 Ų198146 Ų14693%0.92577%0.77SS**  trans-82.1134.1153.5-72.7-173.8126.900109.4
569K21.6Very low22.2Very low152 Ų152146 Ų14666%0.66178%0.779SS**  trans-130.9116.3166.3-82.8179174143.10111E567E567-K569 WeakPolarHBondContact OE1-CE 3.23Å; E567-K569 IonicContact OE1-NZ 2.93Å; E567-K569 PolarHBondContact OE1-NZ 2.89Å; E567-K569 WeakPolarHBondContact OE2-CE 3.49Å; E567-K569 IonicContact OE2-NZ 3.03Å; E567-K569 PolarHBondContact OE2-NZ 2.88Å
570S20.6Very low22.3Very low105 Ų105149.5 Ų149.573%0.73478%0.784SS**  trans-59.2143.7165.1-174.40000110.2
571V21.5Very low22.5Very low100 Ų100150.1 Ų150.161%0.60678%0.783SS**  trans-134.2104.4163.2-178.30000107.8W573V571-W573 HydrophobicContact CG1-CZ2 4.09Å
572D20.4Very low22.7Very low133 Ų133149.4 Ų149.471%0.71178%0.778SS**  trans-63140.7167.7-67.8-72.4000110.6
573W21.6Very low23.2Very low224 Ų224144.4 Ų144.485%0.84877%0.766SS**  trans-118.2103.6167.5-77.6107.2000110.8V571V571-W573 HydrophobicContact CG1-CZ2 4.09Å
574Y20.4Very low23.5Very low213 Ų213143.8 Ų143.884%0.83576%0.759SS**PPolyproline II helixtrans-62.4136.6171-96.6-101.3000111.3
575F21.2Very low23.7Very low193 Ų193144.4 Ų144.485%0.84675%0.75SS**PPolyproline II helixtrans-73.3125.3159.8-90.4-96.7000109.8
576Q21.1Very low24Very low190 Ų190149 Ų14989%0.88876%0.757SS**PPolyproline II helixtrans-91.3116.8157.2-81.9-172.4-23.300109.4
577T23.5Very low24.5Very low121 Ų121147.9 Ų147.974%0.74274%0.741SS**  trans-94.5107.3174.151.60000110.3
578N22.9Very low25.1Very low171 Ų171143.4 Ų143.491%0.91473%0.728SS**  trans-90.6119.3160-90.1-2.4000109.2
579S25.1Very low25.7Very low112 Ų112139.5 Ų139.578%0.78371%0.714SS**  trans-100.4105.2-177.355.70000111.4
580E25.5Very low26.2Very low181 Ų181136.2 Ų136.285%0.84671%0.707SS**  trans-153.889.3166.8-126.9169-130.400112.1
581N26.5Very low26.9Very low120 Ų120140.1 Ų140.164%0.64271%0.705SS**  trans176.376147.9-100.6-63.2000110.7S583N581-S583 PolarHBondContact O-N 3.15Å
582T28.3Very low27.5Very low127 Ų127140.8 Ų140.878%0.77970%0.697SS**THydrogen-bonded Turntrans-69.24-175-30.30000114.3
583S30.6Very low28.1Very low72 Ų72141.2 Ų141.250%0.50370%0.699SS.*THydrogen-bonded Turntrans-93.4-24.3-174.152.30000114.7N581N581-S583 PolarHBondContact O-N 3.15Å
584Q31.5Very low28.7Very low144 Ų144141.4 Ų141.467%0.67370%0.7SS**THydrogen-bonded Turntrans-92.5-28-174.6-69.9-173.5-12.800114.4Q586 L587 A588Q584-Q586 VanDerWaalsContact C-N 3.32Å; Q584-Q586 PolarHBondContact O-N 2.96Å; Q584-L587 PolarHBondContact O-N 3.21Å; Q584-A588 PolarHBondContact O-N 3.31Å
585Q28.9Very low29.6Very low145 Ų145134.2 Ų134.268%0.67868%0.679SS**Hα-helixtrans-67.8-27.9-176.8-72.1-176-14.500113.7L587 A588 N589Q585-L587 VanDerWaalsContact C-N 3.34Å; Q585-A588 PolarHBondContact O-N 2.59Å; Q585-N589 PolarHBondContact O-N 3.08Å
586Q28.8Very low30.9Very low153 Ų153128.4 Ų128.472%0.71567%0.673SS**Hα-helixtrans-70.5-28.9176.1-70.2-175.1-21.500113Q584 T590Q584-Q586 VanDerWaalsContact C-N 3.32Å; Q584-Q586 PolarHBondContact O-N 2.96Å; Q586-T590 PolarHBondContact O-OG1 3.05Å
587L30.9Very low32.5Very low110 Ų110120.7 Ų120.758%0.57664%0.639SS**Hα-helixtrans-78.2-39.1173.8-76.6159.5000111.8Q584 Q585 N589 T590Q584-L587 PolarHBondContact O-N 3.21Å; Q585-L587 VanDerWaalsContact C-N 3.34Å; L587-N589 PolarHBondContact O-N 3.15Å; L587-T590 PolarHBondContact O-N 3.23Å; L587-T590 PolarHBondContact O-OG1 3.14Å; L587-T590 VanDerWaalsContact O-OG1 3.1Å
588A34.3Very low34.1Very low47 Ų47116.8 Ų116.839%0.38862%0.617SS.*Hα-helixtrans-63.3-38.5177.400000113Q584 Q585 W592Q584-A588 PolarHBondContact O-N 3.31Å; Q585-A588 PolarHBondContact O-N 2.59Å; A588-W592 VanDerWaalsContact O-CD1 3.23Å; A588-W592 PolarHBondContact O-NE1 3.28Å
589N34.3Very low36.3Very low117 Ų117114.8 Ų114.863%0.62660%0.6SS**Hα-helixtrans-82.2-15.9-178.1-76.4-17.9000114.5Q585 L587Q585-N589 PolarHBondContact O-N 3.08Å; L587-N589 PolarHBondContact O-N 3.15Å
590T33Very low38.5Very low82 Ų82110.3 Ų110.350%0.50357%0.571SS.*Hα-helixtrans-83.2-29.2176.435.80000113.3Q586 L587 W592Q586-T590 PolarHBondContact O-OG1 3.05Å; L587-T590 PolarHBondContact O-N 3.23Å; L587-T590 PolarHBondContact O-OG1 3.14Å; L587-T590 VanDerWaalsContact O-OG1 3.1Å; T590-W592 PolarHBondContact O-N 3.39Å
591W35Very low41.2Very low187 Ų187103.7 Ų103.771%0.70854%0.54SS*.Hα-helixtrans-68.3-32.2-175.3-100.2-35.1000115.4
592W33Very low44.2Very low115 Ų11598.1 Ų98.144%0.43651%0.511SS..G310 helixtrans-71.2-32.5-176.5-58.9108.5000113.3A588 T590 W594A588-W592 VanDerWaalsContact O-CD1 3.23Å; A588-W592 PolarHBondContact O-NE1 3.28Å; T590-W592 PolarHBondContact O-N 3.39Å; W592-W594 PolarHBondContact O-N 3.35Å
593N33.3Very low47.2Very low141 Ų14192.2 Ų92.275%0.75447%0.474SS*.G310 helixtrans-72.2-12.2-174.2-71.3-19.3000114.5
594W34.1Very low50Low229 Ų22988.8 Ų88.887%0.86745%0.45SS*.G310 helixtrans-95.71.5-175.6-85.278.4000115.3W592W592-W594 PolarHBondContact O-N 3.35Å
595T40.6Very low52.7Low62 Ų6282 Ų8238%0.3842%0.419SS..SBendtrans-128.54.2-177.155.50000116.1V597 R630T595-V597 VanDerWaalsContact C-N 3.28Å; T595-V597 PolarHBondContact O-N 2.83Å; T595-R630 PolarHBondContact OG1-NH2 2.96Å
596G47.9Very low55.1Low71 Ų7180.1 Ų80.173%0.73241%0.41SS*.SBendtrans73.14165.300000117.6
597V53.4Low57.4Low27 Ų2774.3 Ų74.316%0.16438%0.384CS..  trans-135.7130171.9-176.10000109.4T595 E601 V603 V617 L645T595-V597 VanDerWaalsContact C-N 3.28Å; T595-V597 PolarHBondContact O-N 2.83Å; V597-E601 HydrophobicContact CG1-CB 4.2Å; V597-V603 HydrophobicContact CG1-CG1 4.34Å; V597-V617 HydrophobicContact CG1-CG2 3.99Å; V597-L645 HydrophobicContact CB-CD2 4.26Å; V597-L645 HydrophobicContact CG2-CD2 4.27Å
598S59Low58.8Low40 Ų4077.9 Ų77.928%0.2840%0.398SS..  trans-102.6162.4-168.962.50000114.3G600 E601S598-G600 PolarHBondContact O-N 2.66Å; S598-E601 WeakPolarHBondContact CB-OE2 3.3Å; S598-E601 PolarHBondContact N-OE2 3.11Å; S598-E601 VanDerWaalsContact O-CB 3.26Å; S598-E601 WeakPolarHBondContact O-CB 3.44Å; S598-E601 PolarHBondContact O-N 2.77Å; S598-E601 PolarHBondContact OG-OE2 2.93Å
599K67.4Low60Low129 Ų12979.6 Ų79.656%0.56142%0.42SS*.THydrogen-bonded Turntrans-65.5127.3175176.9-170.9170.4-168.40109.7E601 P720K599-E601 VanDerWaalsContact C-N 3.35Å; K599-P720 WeakPolarHBondContact O-CG 3.49Å
600G71.8Confident61.8Low18 Ų1878.6 Ų78.619%0.18641%0.41CS..THydrogen-bonded Turntrans80.212.4-176.700000114S598 V617 R683S598-G600 PolarHBondContact O-N 2.66Å; G600-V617 WeakPolarHBondContact CA-O 3.11Å; G600-V617 PolarHBondContact N-O 3.39Å; G600-R683 VanDerWaalsContact O-CZ 3.26Å; G600-R683 PolarHBondContact O-NH1 3.42Å; G600-R683 PolarHBondContact O-NH2 2.95Å
601E83.1Confident64.2Low41 Ų4176.1 Ų76.119%0.19240%0.396CS..  trans-74.1140.6176.2-160.2165.5142.200111.8V597 S598 K599 V616 V617V597-E601 HydrophobicContact CG1-CB 4.2Å; S598-E601 WeakPolarHBondContact CB-OE2 3.3Å; S598-E601 PolarHBondContact N-OE2 3.11Å; S598-E601 VanDerWaalsContact O-CB 3.26Å; S598-E601 WeakPolarHBondContact O-CB 3.44Å; S598-E601 PolarHBondContact O-N 2.77Å; S598-E601 PolarHBondContact OG-OE2 2.93Å; K599-E601 VanDerWaalsContact C-N 3.35Å; E601-V616 WeakPolarHBondContact O-CA 3.24Å; E601-V617 PolarHBondContact O-N 3.25Å
602L89.1Confident66.7Low4 Ų468.5 Ų68.52%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-79.9131.8174.2-62177.7000109.6V616 Y635 F651 A680 L718L602-V616 HydrophobicContact CD2-CB 4.19Å; L602-V616 HydrophobicContact CD2-CG2 4.25Å; L602-Y635 HydrophobicContact CD2-CE2 4.08Å; L602-Y635 WeakPolarHBondContact CD2-OH 3.19Å; L602-F651 VanDerWaalsContact C-CB 3.46Å; L602-F651 HydrophobicContact CB-CB 3.51Å; L602-F651 HydrophobicContact CB-CD1 4.07Å; L602-F651 HydrophobicContact CB-CD2 4.48Å; L602-F651 HydrophobicContact CB-CG 3.8Å; L602-F651 HydrophobicContact CD1-CD1 3.96Å; L602-F651 HydrophobicContact CD1-CE1 4.24Å; L602-F651 HydrophobicContact CD1-CG 4.49Å; L602-F651 WeakPolarHBondContact O-CB 3.16Å; L602-F651 PolarHBondContact O-N 3.06Å; L602-A680 HydrophobicContact CD1-CB 4.1Å; L602-L718 HydrophobicContact CD1-CD2 4.44Å
603V90.9Very high69.5Low2 Ų263 Ų631%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-136.9152-175.5-69.30000111.9V597 G615 V617 V632 L648 K649V597-V603 HydrophobicContact CG1-CG1 4.34Å; V603-G615 PolarHBondContact N-O 2.99Å; V603-G615 PolarHBondContact O-N 3.02Å; V603-G615 VanDerWaalsContact O-O 3.12Å; V603-V617 HydrophobicContact CG1-CG2 3.86Å; V603-V617 HydrophobicContact CG2-CG2 3.96Å; V603-V632 HydrophobicContact CG2-CG1 3.83Å; V603-V632 HydrophobicContact CG2-CG2 4.15Å; V603-L648 HydrophobicContact CB-CD2 4.24Å; V603-L648 HydrophobicContact CG2-CD2 3.95Å; V603-K649 WeakPolarHBondContact CA-O 3.47Å
604W90.4Very high72.3Confident0 Ų056.3 Ų56.30%031%0.314CS..EExtended strand (participates in β ladder)trans-92.3147.9156.2-64.8100000109P612 P614 L648 K649 F651 F654 Y657 F658 V673W604-P612 HydrophobicContact CE3-CB 4.41Å; W604-P612 WeakPolarHBondContact CZ3-O 3.42Å; W604-P614 HydrophobicContact CE3-CB 4.26Å; W604-P614 HydrophobicContact CH2-CB 4.45Å; W604-P614 HydrophobicContact CZ3-CB 4.09Å; W604-P614 HydrophobicContact CZ3-CG 4.28Å; W604-L648 WeakPolarHBondContact O-CA 3.26Å; W604-K649 HydrophobicContact CB-CB 4.31Å; W604-K649 PolarHBondContact N-O 2.76Å; W604-K649 PolarHBondContact O-N 3.45Å; W604-F651 HydrophobicContact CD2-CD2 4.47Å; W604-F651 AromaticContact CE2-CD2 3.92Å; W604-F651 HydrophobicContact CZ2-CD2 4.29Å; W604-F651 HydrophobicContact CZ2-CE2 4.05Å; W604-F651 AromaticContact NE1-CD2 3.74Å; W604-F651 PolarHBondContact NE1-O 3.16Å; W604-F654 HydrophobicContact CH2-CD2 4.39Å; W604-F654 HydrophobicContact CH2-CE2 4.19Å; W604-F654 AromaticContact CZ2-CD2 3.53Å; W604-F654 HydrophobicContact CZ2-CD2 3.53Å; W604-F654 AromaticContact CZ2-CE2 3.76Å; W604-F654 HydrophobicContact CZ2-CE2 3.76Å; W604-F654 HydrophobicContact CZ2-CG 4.13Å; W604-Y657 HydrophobicContact CB-CG 4.24Å; W604-Y657 HydrophobicContact CG-CD2 4.34Å; W604-Y657 HydrophobicContact CG-CG 4.15Å; W604-F658 HydrophobicContact CH2-CB 4.05Å; W604-F658 HydrophobicContact CZ2-CB 4.25Å; W604-V673 HydrophobicContact CH2-CG2 4.39Å
605G86.4Confident75Confident2 Ų245.4 Ų45.42%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-151.7160.7166.100000112.7P612 W613G605-P612 WeakPolarHBondContact O-CA 3.45Å; G605-W613 PolarHBondContact N-O 2.91Å; G605-W613 VanDerWaalsContact N-O 3.09Å; G605-W613 PolarHBondContact O-N 3.17Å
606Q81.2Confident77.3Confident105 Ų10543.1 Ų43.149%0.49126%0.258SS..PPolyproline II helixtrans-83118.7-180-172.558.443.200109.6F610Q606-F610 PolarHBondContact NE2-O 3.31Å
607I75.4Confident79.1Confident31 Ų3140 Ų4016%0.15923%0.226CC..PPolyproline II helixtrans-93.9139.7164.6-56.3-180000107.2F610 W613 W634I607-F610 HydrophobicContact CB-CB 4.26Å; I607-F610 HydrophobicContact CG2-CD2 3.91Å; I607-F610 PolarHBondContact O-N 3.38Å; I607-W613 HydrophobicContact CD1-CB 3.51Å; I607-W613 HydrophobicContact CD1-CD2 4.01Å; I607-W613 HydrophobicContact CD1-CE3 4.32Å; I607-W613 HydrophobicContact CD1-CG 3.62Å; I607-W613 HydrophobicContact CG1-CB 3.93Å; I607-W634 HydrophobicContact CD1-CD2 3.81Å; I607-W634 HydrophobicContact CD1-CE3 4.39Å; I607-W634 HydrophobicContact CD1-CG 3.91Å; I607-W634 HydrophobicContact CD1-CZ2 4.35Å; I607-W634 HydrophobicContact CG1-CD2 4.26Å; I607-W634 HydrophobicContact CG1-CH2 4.38Å; I607-W634 HydrophobicContact CG1-CZ2 3.88Å
608E60.9Low80.5Confident186 Ų18639.8 Ų39.887%0.86922%0.224SC*.THydrogen-bonded Turntrans-65.4134.2179.7-168.5155.3-149.800111F610E608-F610 WeakPolarHBondContact O-CD2 3.08Å; E608-F610 PolarHBondContact O-N 3.24Å
609G59Low80.8Confident83 Ų8341.1 Ų41.186%0.85623%0.232SC*.THydrogen-bonded Turntrans74.6-5.1-174.100000116.6
610F72.6Confident80.6Confident95 Ų9539.1 Ų39.142%0.41722%0.223SC..SBendtrans-121.6169.5-178-68.6-83.6000113.3Q606 I607 E608 W613 L666Q606-F610 PolarHBondContact NE2-O 3.31Å; I607-F610 HydrophobicContact CB-CB 4.26Å; I607-F610 HydrophobicContact CG2-CD2 3.91Å; I607-F610 PolarHBondContact O-N 3.38Å; E608-F610 WeakPolarHBondContact O-CD2 3.08Å; E608-F610 PolarHBondContact O-N 3.24Å; F610-W613 HydrophobicContact CB-CE3 4.26Å; F610-W613 HydrophobicContact CB-CZ3 4.49Å; F610-W613 AromaticContact CD1-CZ3 3.98Å; F610-W613 HydrophobicContact CD1-CZ3 3.98Å; F610-W613 HydrophobicContact CG-CZ3 4.37Å; F610-L666 HydrophobicContact CD1-CD1 4.37Å
611S83.1Confident79.7Confident30 Ų3047.8 Ų47.821%0.2126%0.256CS..  trans-73.4161.6168.2-72.70000111.7W613 C659 S662S611-W613 PolarHBondContact O-N 2.95Å; S611-C659 VanDerWaalsContact CB-CB 3.42Å; S611-C659 WeakPolarHBondContact OG-CB 3.48Å; S611-C659 PolarHBondContact OG-SG 2.84Å; S611-S662 WeakPolarHBondContact CB-OG 3.49Å; S611-S662 PolarHBondContact OG-OG 3.07Å; S611-S662 VanDerWaalsContact OG-OG 3.09Å
612P88.3Confident77.9Confident27 Ų2751.7 Ų51.718%0.17528%0.278CS..  trans-52124.2177.4-25.533000111.7W604 G605 Y657 Y669W604-P612 HydrophobicContact CE3-CB 4.41Å; W604-P612 WeakPolarHBondContact CZ3-O 3.42Å; G605-P612 WeakPolarHBondContact O-CA 3.45Å; P612-Y657 HydrophobicContact CB-CD1 4.4Å; P612-Y657 HydrophobicContact CG-CD1 4.37Å; P612-Y669 VanDerWaalsContact O-CE2 3.25Å; P612-Y669 WeakPolarHBondContact O-CE2 3.13Å; P612-Y669 PolarHBondContact O-OH 2.8Å
613W91.1Very high75.6Confident1 Ų160.7 Ų60.70%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-107.8142.9-169-152.8-79.8000110.1G605 I607 F610 S611 W634 Y635 Q637 Y669 A672G605-W613 PolarHBondContact N-O 2.91Å; G605-W613 VanDerWaalsContact N-O 3.09Å; G605-W613 PolarHBondContact O-N 3.17Å; I607-W613 HydrophobicContact CD1-CB 3.51Å; I607-W613 HydrophobicContact CD1-CD2 4.01Å; I607-W613 HydrophobicContact CD1-CE3 4.32Å; I607-W613 HydrophobicContact CD1-CG 3.62Å; I607-W613 HydrophobicContact CG1-CB 3.93Å; F610-W613 HydrophobicContact CB-CE3 4.26Å; F610-W613 HydrophobicContact CB-CZ3 4.49Å; F610-W613 AromaticContact CD1-CZ3 3.98Å; F610-W613 HydrophobicContact CD1-CZ3 3.98Å; F610-W613 HydrophobicContact CG-CZ3 4.37Å; S611-W613 PolarHBondContact O-N 2.95Å; W613-W634 HydrophobicContact CB-CE3 4.18Å; W613-W634 HydrophobicContact CB-CZ3 4.44Å; W613-W634 WeakPolarHBondContact O-CZ3 3.45Å; W613-Y635 PolarHBondContact NE1-O 3.03Å; W613-Q637 HydrophobicContact CZ2-CG 3.87Å; W613-Y669 AromaticContact CD2-CD2 3.93Å; W613-Y669 HydrophobicContact CD2-CD2 3.93Å; W613-Y669 HydrophobicContact CD2-CE2 4.35Å; W613-Y669 AromaticContact CE3-CD2 3.58Å; W613-Y669 HydrophobicContact CE3-CD2 3.58Å; W613-Y669 HydrophobicContact CE3-CE2 4.12Å; W613-Y669 AromaticContact CH2-CD2 3.97Å; W613-Y669 HydrophobicContact CH2-CD2 3.97Å; W613-Y669 HydrophobicContact CH2-CG 4.42Å; W613-Y669 HydrophobicContact CZ2-CD2 4.33Å; W613-Y669 AromaticContact CZ3-CD2 3.61Å; W613-Y669 HydrophobicContact CZ3-CD2 3.61Å; W613-Y669 HydrophobicContact CZ3-CG 4.4Å; W613-A672 HydrophobicContact CZ2-CB 3.89Å
614P92.9Very high73.5Confident0 Ų065.6 Ų65.60%035%0.35CS..EExtended strand (participates in β ladder)trans-80.5139.917732.6-35.2000111.4W604 Y635 F651 A672 V673W604-P614 HydrophobicContact CE3-CB 4.26Å; W604-P614 HydrophobicContact CH2-CB 4.45Å; W604-P614 HydrophobicContact CZ3-CB 4.09Å; W604-P614 HydrophobicContact CZ3-CG 4.28Å; P614-Y635 HydrophobicContact CB-CD2 4.37Å; P614-Y635 WeakPolarHBondContact O-CD2 3.42Å; P614-Y635 PolarHBondContact O-N 2.85Å; P614-Y635 VanDerWaalsContact O-N 3.17Å; P614-F651 HydrophobicContact CB-CD2 4.37Å; P614-F651 HydrophobicContact CB-CE2 3.86Å; P614-A672 HydrophobicContact CG-CB 3.97Å; P614-V673 HydrophobicContact CG-CG2 4.34Å
615G91.1Very high71.2Confident0 Ų073 Ų730%038%0.384CS..EExtended strand (participates in β ladder)trans-153.6176.817800000113.3V603 E633V603-G615 PolarHBondContact N-O 2.99Å; V603-G615 PolarHBondContact O-N 3.02Å; V603-G615 VanDerWaalsContact O-O 3.12Å; G615-E633 CarbonylContact C-O 3.58Å; G615-E633 WeakPolarHBondContact CA-O 3.36Å
616V89.3Confident69.6Low13 Ų1381 Ų818%0.07941%0.413CS..EExtended strand (participates in β ladder)trans-127.3137.218061.50000111E601 L602 V618 V632 E633 Y635E601-V616 WeakPolarHBondContact O-CA 3.24Å; L602-V616 HydrophobicContact CD2-CB 4.19Å; L602-V616 HydrophobicContact CD2-CG2 4.25Å; V616-V618 HydrophobicContact CG1-CG1 4.23Å; V616-V618 PolarHBondContact O-N 3.17Å; V616-V632 WeakPolarHBondContact O-CA 3.32Å; V616-E633 HydrophobicContact CG1-CB 4.11Å; V616-E633 PolarHBondContact N-O 3.13Å; V616-E633 PolarHBondContact O-N 2.91Å; V616-Y635 HydrophobicContact CB-CE2 4.2Å; V616-Y635 HydrophobicContact CG1-CE2 4.41Å
617V85.7Confident68.4Low7 Ų780.9 Ų80.94%0.04242%0.422CS..EExtended strand (participates in β ladder)trans-75.3110.7-178.7178.90000110.3V597 G600 E601 V603 R630 V632V597-V617 HydrophobicContact CG1-CG2 3.99Å; G600-V617 WeakPolarHBondContact CA-O 3.11Å; G600-V617 PolarHBondContact N-O 3.39Å; E601-V617 PolarHBondContact O-N 3.25Å; V603-V617 HydrophobicContact CG1-CG2 3.86Å; V603-V617 HydrophobicContact CG2-CG2 3.96Å; V617-R630 HydrophobicContact CG1-CB 4.29Å; V617-V632 HydrophobicContact CG2-CG2 4.26Å
618V81.9Confident67.7Low21 Ų2185.9 Ų85.913%0.12744%0.444CS..EExtended strand (participates in β ladder)trans-103.1152.6-176.3-670000112V616 M631 E633V616-V618 HydrophobicContact CG1-CG1 4.23Å; V616-V618 PolarHBondContact O-N 3.17Å; V618-M631 HydrophobicContact CG2-CB 3.88Å; V618-M631 HydrophobicContact CG2-CG 3.56Å; V618-M631 PolarHBondContact N-O 2.67Å; V618-E633 HydrophobicContact CG1-CB 3.85Å; V618-E633 HydrophobicContact CG2-CB 4.33Å
619P64.7Low68.2Low68 Ų6881.7 Ų81.744%0.44242%0.423SS..PPolyproline II helixtrans-64.5141.8175.627.4-35000111.7
620F64Low68.8Low88 Ų8879.2 Ų79.239%0.38639%0.388SS..PPolyproline II helixtrans-76137.2176.2-154.2-78.1000109.5D622 M631 Q642F620-D622 WeakPolarHBondContact CD1-O 3.25Å; F620-D622 HydrophobicContact CE1-CB 4.3Å; F620-D622 VanDerWaalsContact CE1-O 3.3Å; F620-D622 WeakPolarHBondContact CE1-O 3.39Å; F620-M631 HydrophobicContact CD2-CB 4.37Å; F620-M631 HydrophobicContact CD2-CE 4.23Å; F620-M631 HydrophobicContact CE2-CE 4.17Å; F620-Q642 HydrophobicContact CE2-CG 4.1Å
621K53Low69.3Low199 Ų19976.6 Ų76.687%0.86538%0.378SS*.  trans-91.4-25.6-173.8-74-173175.2-179.60115.1
622D44.4Very low69.4Low123 Ų12375.2 Ų75.266%0.65837%0.368SS*.SBendtrans-113.6151.5-174.1-56.4-71.7000113.6F620 V624F620-D622 WeakPolarHBondContact CD1-O 3.25Å; F620-D622 HydrophobicContact CE1-CB 4.3Å; F620-D622 VanDerWaalsContact CE1-O 3.3Å; F620-D622 WeakPolarHBondContact CE1-O 3.39Å; D622-V624 VanDerWaalsContact C-N 3.26Å; D622-V624 PolarHBondContact O-N 3.27Å
623Q40.5Very low69.2Low194 Ų19475.4 Ų75.491%0.90737%0.367SS*.SBendtrans-75.516.6-159.6-64.1-173.8-1300117.4
624V46.7Very low69.1Low105 Ų10575.9 Ų75.964%0.63637%0.368SS*.  trans-10288.2-176.4-173.10000112D622 R626D622-V624 VanDerWaalsContact C-N 3.26Å; D622-V624 PolarHBondContact O-N 3.27Å; V624-R626 PolarHBondContact O-N 3.45Å
625H43.5Very low68.6Low156 Ų15676.1 Ų76.172%0.72237%0.369SS*.  trans-67.4113.1177.5-83.1-83.2000113.2
626R52.8Low67.6Low168 Ų16877.6 Ų77.663%0.63438%0.384SS*.  trans-106.6109.4163.3-73.8179170.8163.4-5.8109.7V624 Q628 K629V624-R626 PolarHBondContact O-N 3.45Å; R626-Q628 VanDerWaalsContact C-N 3.26Å; R626-Q628 PolarHBondContact O-N 2.97Å; R626-K629 PolarHBondContact O-N 3.29Å
627P54.7Low66.3Low103 Ų10380.1 Ų80.167%0.66940%0.395SS*.THydrogen-bonded Turntrans-56.8-31.4-169-29.735.6000116R630P627-R630 PolarHBondContact O-NH1 3.14Å
628Q62.1Low65Low136 Ų13688.3 Ų88.364%0.63643%0.425SS*.THydrogen-bonded Turntrans-91.8-5.9-169.8-64.8-177.6-4.900115.5R626 L645R626-Q628 VanDerWaalsContact C-N 3.26Å; R626-Q628 PolarHBondContact O-N 2.97Å; Q628-L645 PolarHBondContact O-N 3.1Å
629K71Confident64.4Low98 Ų9892.8 Ų92.843%0.42645%0.446SS..EExtended strand (participates in β ladder)trans-112.4158.6176.8-66.7-163173.9-164.50111.9R626 Q642 V643R626-K629 PolarHBondContact O-N 3.29Å; K629-Q642 HydrophobicContact CD-CB 4.31Å; K629-V643 CarbonylContact C-O 3.5Å; K629-V643 VanDerWaalsContact CA-O 3.25Å; K629-V643 WeakPolarHBondContact CA-O 3.37Å; K629-V643 WeakPolarHBondContact CB-O 3.49Å
630R71.9Confident65.1Low32 Ų3292.8 Ų92.812%0.12145%0.447CS..EExtended strand (participates in β ladder)trans-135147.7174.1-65.9-65.9178.2-87.71.4109.4T595 V617 P627 Q642 V643 L645 L648T595-R630 PolarHBondContact OG1-NH2 2.96Å; V617-R630 HydrophobicContact CG1-CB 4.29Å; P627-R630 PolarHBondContact O-NH1 3.14Å; R630-Q642 CarbonylContact O-C 3.54Å; R630-Q642 WeakPolarHBondContact O-CA 3.25Å; R630-V643 PolarHBondContact N-O 3.37Å; R630-V643 PolarHBondContact O-N 3.14Å; R630-L645 HydrophobicContact CG-CD2 3.57Å; R630-L645 HydrophobicContact CG-CG 4.05Å; R630-L648 HydrophobicContact CB-CD1 4.23Å
631M82.3Confident65.8Low40 Ų4090.4 Ų90.420%0.19744%0.441CS..EExtended strand (participates in β ladder)trans-81.7130.5170.1-166.669.878.800108.6V618 F620 C640 S641 Q642V618-M631 HydrophobicContact CG2-CB 3.88Å; V618-M631 HydrophobicContact CG2-CG 3.56Å; V618-M631 PolarHBondContact N-O 2.67Å; F620-M631 HydrophobicContact CD2-CB 4.37Å; F620-M631 HydrophobicContact CD2-CE 4.23Å; F620-M631 HydrophobicContact CE2-CE 4.17Å; M631-C640 HydrophobicContact CG-CB 4.35Å; M631-C640 HydrophobicContact SD-CB 4.13Å; M631-S641 WeakPolarHBondContact CA-O 3.36Å; M631-S641 VanDerWaalsContact SD-C 3.55Å; M631-Q642 HydrophobicContact CE-CG 3.76Å; M631-Q642 HydrophobicContact SD-CG 3.94Å
632V84.5Confident67.1Low0 Ų084.7 Ų84.70%042%0.418CS..EExtended strand (participates in β ladder)trans-128.2128.3178.7179.80000109.3V603 V616 V617 W634 C640 S641 V643 L648V603-V632 HydrophobicContact CG2-CG1 3.83Å; V603-V632 HydrophobicContact CG2-CG2 4.15Å; V616-V632 WeakPolarHBondContact O-CA 3.32Å; V617-V632 HydrophobicContact CG2-CG2 4.26Å; V632-W634 HydrophobicContact CG1-CD2 4.31Å; V632-W634 HydrophobicContact CG1-CE3 3.95Å; V632-W634 HydrophobicContact CG1-CH2 4.03Å; V632-W634 HydrophobicContact CG1-CZ2 4.4Å; V632-W634 HydrophobicContact CG1-CZ3 3.8Å; V632-C640 CarbonylContact O-C 3.59Å; V632-C640 WeakPolarHBondContact O-CA 3.5Å; V632-S641 PolarHBondContact N-O 3.22Å; V632-S641 PolarHBondContact O-N 3.42Å; V632-V643 HydrophobicContact CB-CG2 4.04Å; V632-V643 HydrophobicContact CG2-CB 4.4Å; V632-V643 HydrophobicContact CG2-CG2 4.05Å; V632-L648 HydrophobicContact CG2-CD1 3.77Å; V632-L648 HydrophobicContact CG2-CD2 3.94Å; V632-L648 HydrophobicContact CG2-CG 4.5Å
633E85.3Confident68.7Low32 Ų3279.5 Ų79.515%0.1539%0.39CS..EExtended strand (participates in β ladder)trans-92.2126.5172.3-176.7170-161.300109.2G615 V616 V618 F729G615-E633 CarbonylContact C-O 3.58Å; G615-E633 WeakPolarHBondContact CA-O 3.36Å; V616-E633 HydrophobicContact CG1-CB 4.11Å; V616-E633 PolarHBondContact N-O 3.13Å; V616-E633 PolarHBondContact O-N 2.91Å; V618-E633 HydrophobicContact CG1-CB 3.85Å; V618-E633 HydrophobicContact CG2-CB 4.33Å; E633-F729 WeakPolarHBondContact OE1-CE2 3.49Å; E633-F729 WeakPolarHBondContact OE2-CE2 3.4Å
634W88.9Confident70.6Confident11 Ų1171.8 Ų71.84%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-92.2128.4-176.6-56.5118.5000111.9I607 W613 V632 R638 M639 S641 V643I607-W634 HydrophobicContact CD1-CD2 3.81Å; I607-W634 HydrophobicContact CD1-CE3 4.39Å; I607-W634 HydrophobicContact CD1-CG 3.91Å; I607-W634 HydrophobicContact CD1-CZ2 4.35Å; I607-W634 HydrophobicContact CG1-CD2 4.26Å; I607-W634 HydrophobicContact CG1-CH2 4.38Å; I607-W634 HydrophobicContact CG1-CZ2 3.88Å; W613-W634 HydrophobicContact CB-CE3 4.18Å; W613-W634 HydrophobicContact CB-CZ3 4.44Å; W613-W634 WeakPolarHBondContact O-CZ3 3.45Å; V632-W634 HydrophobicContact CG1-CD2 4.31Å; V632-W634 HydrophobicContact CG1-CE3 3.95Å; V632-W634 HydrophobicContact CG1-CH2 4.03Å; V632-W634 HydrophobicContact CG1-CZ2 4.4Å; V632-W634 HydrophobicContact CG1-CZ3 3.8Å; W634-R638 PolarHBondContact O-N 3Å; W634-M639 VanDerWaalsContact CD1-O 3.3Å; W634-M639 PolarHBondContact N-O 3.44Å; W634-S641 WeakPolarHBondContact CZ2-OG 3.18Å; W634-S641 PolarHBondContact NE1-OG 3.07Å; W634-V643 HydrophobicContact CH2-CG2 3.93Å; W634-V643 HydrophobicContact CZ2-CG2 3.58Å
635Y83.3Confident71.7Confident5 Ų568.6 Ų68.62%0.0234%0.337CS..THydrogen-bonded Turntrans-63.2152.6174.9-67.1-86000111L602 W613 P614 V616 Q637 A672 L675 E679 F729L602-Y635 HydrophobicContact CD2-CE2 4.08Å; L602-Y635 WeakPolarHBondContact CD2-OH 3.19Å; W613-Y635 PolarHBondContact NE1-O 3.03Å; P614-Y635 HydrophobicContact CB-CD2 4.37Å; P614-Y635 WeakPolarHBondContact O-CD2 3.42Å; P614-Y635 PolarHBondContact O-N 2.85Å; P614-Y635 VanDerWaalsContact O-N 3.17Å; V616-Y635 HydrophobicContact CB-CE2 4.2Å; V616-Y635 HydrophobicContact CG1-CE2 4.41Å; Y635-Q637 PolarHBondContact O-N 3.48Å; Y635-A672 WeakPolarHBondContact CB-O 3.46Å; Y635-A672 WeakPolarHBondContact O-CB 3.5Å; Y635-L675 HydrophobicContact CD1-CB 3.85Å; Y635-L675 HydrophobicContact CG-CB 4.47Å; Y635-E679 VanDerWaalsContact OH-CD 3.28Å; Y635-E679 PolarHBondContact OH-OE2 2.98Å; Y635-F729 HydrophobicContact CE1-CZ 4.42Å
636G68.2Low73Confident30 Ų3068.1 Ų68.131%0.30934%0.335SS..THydrogen-bonded Turntrans73.9-27.8-179.100000115.7
637Q62.8Low74.2Confident66 Ų6662.5 Ų62.531%0.30832%0.321SS..THydrogen-bonded Turntrans-109.3-16.8-176.3-60.1-167.712.200115.2W613 Y635 M639W613-Q637 HydrophobicContact CZ2-CG 3.87Å; Y635-Q637 PolarHBondContact O-N 3.48Å; Q637-M639 HydrophobicContact CB-CB 4.43Å; Q637-M639 HydrophobicContact CB-CG 4.19Å; Q637-M639 PolarHBondContact O-N 3.12Å; Q637-M639 VanDerWaalsContact O-N 3.15Å
638R58.9Low75.6Confident179 Ų17958.1 Ų58.168%0.67529%0.292SS*.  trans57.419.9-174.1-57.6-176.3176.5-177.5-0.9114.6W634W634-R638 PolarHBondContact O-N 3Å
639M69.2Low76.8Confident116 Ų11655.1 Ų55.157%0.57128%0.277SS*.  trans-93.5136.2178.7-68.4-62.9-74.300110.8W634 Q637W634-M639 VanDerWaalsContact CD1-O 3.3Å; W634-M639 PolarHBondContact N-O 3.44Å; Q637-M639 HydrophobicContact CB-CB 4.43Å; Q637-M639 HydrophobicContact CB-CG 4.19Å; Q637-M639 PolarHBondContact O-N 3.12Å; Q637-M639 VanDerWaalsContact O-N 3.15Å
640C78.6Confident77.6Confident67 Ų6754.1 Ų54.145%0.45328%0.281SS..EExtended strand (participates in β ladder)trans-104.2139.8172-72.70000110.8M631 V632M631-C640 HydrophobicContact CG-CB 4.35Å; M631-C640 HydrophobicContact SD-CB 4.13Å; V632-C640 CarbonylContact O-C 3.59Å; V632-C640 WeakPolarHBondContact O-CA 3.5Å
641S79.9Confident78.5Confident38 Ų3852.7 Ų52.727%0.26628%0.275SS..EExtended strand (participates in β ladder)trans-143.4152.5179.170.60000113.6M631 V632 W634 V643M631-S641 WeakPolarHBondContact CA-O 3.36Å; M631-S641 VanDerWaalsContact SD-C 3.55Å; V632-S641 PolarHBondContact N-O 3.22Å; V632-S641 PolarHBondContact O-N 3.42Å; W634-S641 WeakPolarHBondContact CZ2-OG 3.18Å; W634-S641 PolarHBondContact NE1-OG 3.07Å; S641-V643 PolarHBondContact O-N 2.89Å; S641-V643 WeakPolarHBondContact OG-CG2 3.43Å
642Q79.9Confident78.6Confident80 Ų8052.4 Ų52.437%0.37428%0.279SS..EExtended strand (participates in β ladder)trans-9088.5177.3-67.2-173.124.200111.8F620 K629 R630 M631F620-Q642 HydrophobicContact CE2-CG 4.1Å; K629-Q642 HydrophobicContact CD-CB 4.31Å; R630-Q642 CarbonylContact O-C 3.54Å; R630-Q642 WeakPolarHBondContact O-CA 3.25Å; M631-Q642 HydrophobicContact CE-CG 3.76Å; M631-Q642 HydrophobicContact SD-CG 3.94Å
643V78.5Confident78.6Confident13 Ų1353.4 Ų53.48%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-85.8148.8-178.3-162.70000110.9K629 R630 V632 W634 S641 S647 L648K629-V643 CarbonylContact C-O 3.5Å; K629-V643 VanDerWaalsContact CA-O 3.25Å; K629-V643 WeakPolarHBondContact CA-O 3.37Å; K629-V643 WeakPolarHBondContact CB-O 3.49Å; R630-V643 PolarHBondContact N-O 3.37Å; R630-V643 PolarHBondContact O-N 3.14Å; V632-V643 HydrophobicContact CB-CG2 4.04Å; V632-V643 HydrophobicContact CG2-CB 4.4Å; V632-V643 HydrophobicContact CG2-CG2 4.05Å; W634-V643 HydrophobicContact CH2-CG2 3.93Å; W634-V643 HydrophobicContact CZ2-CG2 3.58Å; S641-V643 PolarHBondContact O-N 2.89Å; S641-V643 WeakPolarHBondContact OG-CG2 3.43Å; V643-S647 VanDerWaalsContact CG1-OG 3.3Å; V643-S647 WeakPolarHBondContact CG1-OG 3.42Å; V643-L648 HydrophobicContact CB-CD1 4.35Å; V643-L648 HydrophobicContact CB-CD2 3.82Å; V643-L648 HydrophobicContact CB-CG 4.01Å; V643-L648 HydrophobicContact CG1-CD2 3.54Å; V643-L648 HydrophobicContact CG1-CG 3.76Å; V643-L648 HydrophobicContact CG2-CD2 4.2Å
644S79.6Confident78.7Confident32 Ų3252 Ų5222%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-72.1139.8171.1179.40000110.8Q646 S647 L648S644-Q646 PolarHBondContact O-N 3.34Å; S644-Q646 VanDerWaalsContact O-N 3.1Å; S644-Q646 PolarHBondContact OG-N 2.78Å; S644-S647 PolarHBondContact O-N 3.31Å; S644-S647 PolarHBondContact O-OG 3.32Å; S644-L648 PolarHBondContact O-N 3.07Å; S644-L648 VanDerWaalsContact O-N 3.13Å
645L70.4Confident78.4Confident38 Ų3854 Ų5420%0.19930%0.296CS..THydrogen-bonded Turntrans-52.8-31.4170.7-82172.8000112.4V597 Q628 R630V597-L645 HydrophobicContact CB-CD2 4.26Å; V597-L645 HydrophobicContact CG2-CD2 4.27Å; Q628-L645 PolarHBondContact O-N 3.1Å; R630-L645 HydrophobicContact CG-CD2 3.57Å; R630-L645 HydrophobicContact CG-CG 4.05Å
646Q71.1Confident78.3Confident147 Ų14758.1 Ų58.169%0.68732%0.316SS*.THydrogen-bonded Turntrans-76.8-26.6-178.6-62.6177.7-4.700113S644 K649S644-Q646 PolarHBondContact O-N 3.34Å; S644-Q646 VanDerWaalsContact O-N 3.1Å; S644-Q646 PolarHBondContact OG-N 2.78Å; Q646-K649 PolarHBondContact O-NZ 3.01Å
647S77.1Confident79.2Confident49 Ų4959.9 Ų59.934%0.34331%0.314SS..THydrogen-bonded Turntrans-91.3-19.6177.655.20000113.5V643 S644V643-S647 VanDerWaalsContact CG1-OG 3.3Å; V643-S647 WeakPolarHBondContact CG1-OG 3.42Å; S644-S647 PolarHBondContact O-N 3.31Å; S644-S647 PolarHBondContact O-OG 3.32Å
648L83.9Confident80.4Confident11 Ų1158 Ų586%0.05831%0.305CS..  trans-68.6146.9167.7-65.6178000111.9V603 W604 R630 V632 V643 S644V603-L648 HydrophobicContact CB-CD2 4.24Å; V603-L648 HydrophobicContact CG2-CD2 3.95Å; W604-L648 WeakPolarHBondContact O-CA 3.26Å; R630-L648 HydrophobicContact CB-CD1 4.23Å; V632-L648 HydrophobicContact CG2-CD1 3.77Å; V632-L648 HydrophobicContact CG2-CD2 3.94Å; V632-L648 HydrophobicContact CG2-CG 4.5Å; V643-L648 HydrophobicContact CB-CD1 4.35Å; V643-L648 HydrophobicContact CB-CD2 3.82Å; V643-L648 HydrophobicContact CB-CG 4.01Å; V643-L648 HydrophobicContact CG1-CD2 3.54Å; V643-L648 HydrophobicContact CG1-CG 3.76Å; V643-L648 HydrophobicContact CG2-CD2 4.2Å; S644-L648 PolarHBondContact O-N 3.07Å; S644-L648 VanDerWaalsContact O-N 3.13Å
649K88.4Confident81.6Confident73 Ų7350.7 Ų50.732%0.31728%0.281SS..EExtended strand (participates in β ladder)trans-133.9146.3178.7-48.5-67.2165.4-151.30109.7V603 W604 Q646 F651 Y657V603-K649 WeakPolarHBondContact CA-O 3.47Å; W604-K649 HydrophobicContact CB-CB 4.31Å; W604-K649 PolarHBondContact N-O 2.76Å; W604-K649 PolarHBondContact O-N 3.45Å; Q646-K649 PolarHBondContact O-NZ 3.01Å; K649-F651 PolarHBondContact O-N 3.07Å; K649-Y657 HydrophobicContact CB-CD2 4.05Å; K649-Y657 HydrophobicContact CB-CE1 4.44Å; K649-Y657 HydrophobicContact CB-CE2 3.64Å; K649-Y657 HydrophobicContact CD-CE1 4.5Å; K649-Y657 HydrophobicContact CG-CD1 4.43Å; K649-Y657 HydrophobicContact CG-CD2 4.48Å; K649-Y657 HydrophobicContact CG-CE1 3.84Å; K649-Y657 HydrophobicContact CG-CE2 3.89Å
650P87.5Confident81.8Confident77 Ų7746 Ų4650%0.526%0.261SS..EExtended strand (participates in β ladder)trans-62.8134.8-178.2-21.833.3000111.9A652 A653P650-A652 PolarHBondContact O-N 3.03Å; P650-A652 VanDerWaalsContact O-N 3.09Å; P650-A653 WeakPolarHBondContact O-CB 3.49Å; P650-A653 PolarHBondContact O-N 3.15Å
651F90.3Very high80.8Confident3 Ų348.4 Ų48.41%0.01327%0.269CS..G310 helixtrans-57.4-29.1179.3-173.7-106.2000113.4L602 W604 P614 K649 A653 F654 L677 A680 F710 L718L602-F651 VanDerWaalsContact C-CB 3.46Å; L602-F651 HydrophobicContact CB-CB 3.51Å; L602-F651 HydrophobicContact CB-CD1 4.07Å; L602-F651 HydrophobicContact CB-CD2 4.48Å; L602-F651 HydrophobicContact CB-CG 3.8Å; L602-F651 HydrophobicContact CD1-CD1 3.96Å; L602-F651 HydrophobicContact CD1-CE1 4.24Å; L602-F651 HydrophobicContact CD1-CG 4.49Å; L602-F651 WeakPolarHBondContact O-CB 3.16Å; L602-F651 PolarHBondContact O-N 3.06Å; W604-F651 HydrophobicContact CD2-CD2 4.47Å; W604-F651 AromaticContact CE2-CD2 3.92Å; W604-F651 HydrophobicContact CZ2-CD2 4.29Å; W604-F651 HydrophobicContact CZ2-CE2 4.05Å; W604-F651 AromaticContact NE1-CD2 3.74Å; W604-F651 PolarHBondContact NE1-O 3.16Å; P614-F651 HydrophobicContact CB-CD2 4.37Å; P614-F651 HydrophobicContact CB-CE2 3.86Å; K649-F651 PolarHBondContact O-N 3.07Å; F651-A653 PolarHBondContact O-N 2.98Å; F651-A653 VanDerWaalsContact O-N 3.08Å; F651-F654 HydrophobicContact CE1-CD2 4.45Å; F651-F654 HydrophobicContact CE2-CD2 4.33Å; F651-F654 HydrophobicContact CZ-CD2 4.06Å; F651-F654 HydrophobicContact CZ-CE2 4.24Å; F651-F654 PolarHBondContact O-N 3.38Å; F651-F654 VanDerWaalsContact O-N 3.13Å; F651-L677 HydrophobicContact CE1-CD2 3.95Å; F651-L677 HydrophobicContact CZ-CD2 3.79Å; F651-L677 HydrophobicContact CZ-CG 4.37Å; F651-A680 HydrophobicContact CE1-CB 3.91Å; F651-F710 HydrophobicContact CD1-CE1 4.39Å; F651-F710 AromaticContact CD1-CZ 3.99Å; F651-F710 HydrophobicContact CD1-CZ 3.99Å; F651-F710 AromaticContact CE1-CE1 3.93Å; F651-F710 HydrophobicContact CE1-CE1 3.93Å; F651-F710 AromaticContact CE1-CZ 3.79Å; F651-F710 HydrophobicContact CE1-CZ 3.79Å; F651-L718 HydrophobicContact CD1-CD1 4.19Å; F651-L718 HydrophobicContact CD1-CD2 4.34Å
652A84.4Confident80.5Confident33 Ų3347.2 Ų47.227%0.27326%0.26SS..G310 helixtrans-51.5-27.4172.300000114.5P650 F654 P715 L718P650-A652 PolarHBondContact O-N 3.03Å; P650-A652 VanDerWaalsContact O-N 3.09Å; A652-F654 PolarHBondContact O-N 2.93Å; A652-P715 HydrophobicContact CB-CB 3.73Å; A652-P715 HydrophobicContact CB-CG 4.06Å; A652-L718 HydrophobicContact CB-CD1 3.86Å
653A84.2Confident80.4Confident22 Ų2244.4 Ų44.418%0.18225%0.247CC..G310 helixtrans-78.933.717500000112.7P650 F651 S655 Q656 Y657P650-A653 WeakPolarHBondContact O-CB 3.49Å; P650-A653 PolarHBondContact O-N 3.15Å; F651-A653 PolarHBondContact O-N 2.98Å; F651-A653 VanDerWaalsContact O-N 3.08Å; A653-S655 VanDerWaalsContact C-N 3.28Å; A653-S655 PolarHBondContact O-N 3.44Å; A653-S655 VanDerWaalsContact O-N 3.15Å; A653-Q656 WeakPolarHBondContact O-CB 3.44Å; A653-Q656 PolarHBondContact O-N 3.22Å; A653-Y657 HydrophobicContact CB-CD2 3.77Å; A653-Y657 HydrophobicContact CB-CE2 3.71Å; A653-Y657 WeakPolarHBondContact O-CD2 3.43Å; A653-Y657 PolarHBondContact O-N 2.89Å
654F88.3Confident79.4Confident1 Ų147.9 Ų47.90%0.00428%0.277CS..Hα-helixtrans-49.1-44.6-172.5-170.6-83.9000113.1W604 F651 A652 Q656 Y657 F658 V673 L677 L703 A706 F707 F710W604-F654 HydrophobicContact CH2-CD2 4.39Å; W604-F654 HydrophobicContact CH2-CE2 4.19Å; W604-F654 AromaticContact CZ2-CD2 3.53Å; W604-F654 HydrophobicContact CZ2-CD2 3.53Å; W604-F654 AromaticContact CZ2-CE2 3.76Å; W604-F654 HydrophobicContact CZ2-CE2 3.76Å; W604-F654 HydrophobicContact CZ2-CG 4.13Å; F651-F654 HydrophobicContact CE1-CD2 4.45Å; F651-F654 HydrophobicContact CE2-CD2 4.33Å; F651-F654 HydrophobicContact CZ-CD2 4.06Å; F651-F654 HydrophobicContact CZ-CE2 4.24Å; F651-F654 PolarHBondContact O-N 3.38Å; F651-F654 VanDerWaalsContact O-N 3.13Å; A652-F654 PolarHBondContact O-N 2.93Å; F654-Q656 PolarHBondContact O-N 2.9Å; F654-Y657 PolarHBondContact O-N 3.06Å; F654-F658 HydrophobicContact CD1-CB 4.1Å; F654-F658 HydrophobicContact CE1-CB 3.81Å; F654-F658 AromaticContact CE1-CD2 3.76Å; F654-F658 HydrophobicContact CE1-CD2 3.76Å; F654-F658 HydrophobicContact CE1-CE2 4.49Å; F654-F658 AromaticContact CE1-CG 3.82Å; F654-F658 HydrophobicContact CE1-CG 3.82Å; F654-F658 HydrophobicContact CE2-CD2 4.41Å; F654-F658 HydrophobicContact CZ-CB 4.12Å; F654-F658 AromaticContact CZ-CD2 3.51Å; F654-F658 HydrophobicContact CZ-CD2 3.51Å; F654-F658 HydrophobicContact CZ-CE2 4.2Å; F654-F658 HydrophobicContact CZ-CG 4.03Å; F654-F658 WeakPolarHBondContact O-CB 3.35Å; F654-F658 PolarHBondContact O-N 3.13Å; F654-V673 HydrophobicContact CE2-CG1 4.13Å; F654-V673 HydrophobicContact CZ-CG1 3.9Å; F654-L677 HydrophobicContact CD2-CD2 3.99Å; F654-L677 HydrophobicContact CE2-CD1 3.84Å; F654-L677 HydrophobicContact CE2-CD2 3.6Å; F654-L677 HydrophobicContact CE2-CG 3.91Å; F654-L677 HydrophobicContact CZ-CD1 3.8Å; F654-L677 HydrophobicContact CZ-CD2 4.31Å; F654-L677 HydrophobicContact CZ-CG 4.38Å; F654-L703 HydrophobicContact CE1-CD2 4.39Å; F654-L703 HydrophobicContact CZ-CD2 4.08Å; F654-A706 HydrophobicContact CD1-CB 4.03Å; F654-A706 HydrophobicContact CD2-CB 4.09Å; F654-A706 HydrophobicContact CE1-CB 4.16Å; F654-A706 HydrophobicContact CE2-CB 4.24Å; F654-A706 HydrophobicContact CG-CB 4.02Å; F654-A706 HydrophobicContact CZ-CB 4.28Å; F654-F707 AromaticContact CD1-CD1 3.64Å; F654-F707 HydrophobicContact CD1-CD1 3.64Å; F654-F707 AromaticContact CD1-CE1 3.77Å; F654-F707 HydrophobicContact CD1-CE1 3.77Å; F654-F707 HydrophobicContact CD1-CG 4.19Å; F654-F707 HydrophobicContact CD1-CZ 4.43Å; F654-F707 AromaticContact CE1-CD1 3.86Å; F654-F707 HydrophobicContact CE1-CD1 3.86Å; F654-F707 HydrophobicContact CE1-CD2 4.3Å; F654-F707 AromaticContact CE1-CE1 3.72Å; F654-F707 HydrophobicContact CE1-CE1 3.72Å; F654-F707 HydrophobicContact CE1-CE2 4.18Å; F654-F707 HydrophobicContact CE1-CG 4.16Å; F654-F707 AromaticContact CE1-CZ 3.92Å; F654-F707 HydrophobicContact CE1-CZ 3.92Å; F654-F710 HydrophobicContact CB-CE2 3.92Å; F654-F710 HydrophobicContact CB-CZ 3.89Å; F654-F710 HydrophobicContact CD2-CZ 4.06Å; F654-F710 HydrophobicContact CG-CZ 4.2Å
655S80.8Confident78Confident53 Ų5351.4 Ų51.437%0.37130%0.298SS..Hα-helixtrans-68.9-9.3179.655.50000115.6A653 Y791A653-S655 VanDerWaalsContact C-N 3.28Å; A653-S655 PolarHBondContact O-N 3.44Å; A653-S655 VanDerWaalsContact O-N 3.15Å; S655-Y791 VanDerWaalsContact O-CB 3.32Å; S655-Y791 WeakPolarHBondContact O-CB 3.41Å
656Q81.6Confident77.8Confident92 Ų9252.5 Ų52.543%0.4330%0.303SS..Hα-helixtrans-100.8-24178.3-61.6-179.6-10.200113.1A653 F654 Y791A653-Q656 WeakPolarHBondContact O-CB 3.44Å; A653-Q656 PolarHBondContact O-N 3.22Å; F654-Q656 PolarHBondContact O-N 2.9Å; Q656-Y791 HydrophobicContact CB-CD2 4.44Å; Q656-Y791 HydrophobicContact CG-CD2 3.99Å; Q656-Y791 HydrophobicContact CG-CE2 4.32Å
657Y87.1Confident78Confident67 Ų6750.3 Ų50.326%0.26330%0.3SS..Hα-helixtrans-121.5-16.8-171-62-68.6000114.3W604 P612 K649 A653 F654 C659W604-Y657 HydrophobicContact CB-CG 4.24Å; W604-Y657 HydrophobicContact CG-CD2 4.34Å; W604-Y657 HydrophobicContact CG-CG 4.15Å; P612-Y657 HydrophobicContact CB-CD1 4.4Å; P612-Y657 HydrophobicContact CG-CD1 4.37Å; K649-Y657 HydrophobicContact CB-CD2 4.05Å; K649-Y657 HydrophobicContact CB-CE1 4.44Å; K649-Y657 HydrophobicContact CB-CE2 3.64Å; K649-Y657 HydrophobicContact CD-CE1 4.5Å; K649-Y657 HydrophobicContact CG-CD1 4.43Å; K649-Y657 HydrophobicContact CG-CD2 4.48Å; K649-Y657 HydrophobicContact CG-CE1 3.84Å; K649-Y657 HydrophobicContact CG-CE2 3.89Å; A653-Y657 HydrophobicContact CB-CD2 3.77Å; A653-Y657 HydrophobicContact CB-CE2 3.71Å; A653-Y657 WeakPolarHBondContact O-CD2 3.43Å; A653-Y657 PolarHBondContact O-N 2.89Å; F654-Y657 PolarHBondContact O-N 3.06Å; Y657-C659 PolarHBondContact O-N 3.32Å
658F87.6Confident78Confident26 Ų2651 Ų5111%0.11430%0.302CS..  trans-62.3118.9168.8171-89.9000110.6W604 F654 A660 F663 V673 L703 F707W604-F658 HydrophobicContact CH2-CB 4.05Å; W604-F658 HydrophobicContact CZ2-CB 4.25Å; F654-F658 HydrophobicContact CD1-CB 4.1Å; F654-F658 HydrophobicContact CE1-CB 3.81Å; F654-F658 AromaticContact CE1-CD2 3.76Å; F654-F658 HydrophobicContact CE1-CD2 3.76Å; F654-F658 HydrophobicContact CE1-CE2 4.49Å; F654-F658 AromaticContact CE1-CG 3.82Å; F654-F658 HydrophobicContact CE1-CG 3.82Å; F654-F658 HydrophobicContact CE2-CD2 4.41Å; F654-F658 HydrophobicContact CZ-CB 4.12Å; F654-F658 AromaticContact CZ-CD2 3.51Å; F654-F658 HydrophobicContact CZ-CD2 3.51Å; F654-F658 HydrophobicContact CZ-CE2 4.2Å; F654-F658 HydrophobicContact CZ-CG 4.03Å; F654-F658 WeakPolarHBondContact O-CB 3.35Å; F654-F658 PolarHBondContact O-N 3.13Å; F658-A660 HydrophobicContact CD1-CB 4.46Å; F658-A660 HydrophobicContact CE1-CB 3.83Å; F658-F663 HydrophobicContact CE1-CB 4.44Å; F658-F663 HydrophobicContact CE2-CB 3.86Å; F658-F663 HydrophobicContact CE2-CD1 4.36Å; F658-F663 AromaticContact CE2-CD2 3.5Å; F658-F663 HydrophobicContact CE2-CD2 3.5Å; F658-F663 HydrophobicContact CE2-CE2 4.07Å; F658-F663 AromaticContact CE2-CG 3.66Å; F658-F663 HydrophobicContact CE2-CG 3.66Å; F658-F663 HydrophobicContact CZ-CB 3.57Å; F658-F663 AromaticContact CZ-CD1 3.88Å; F658-F663 HydrophobicContact CZ-CD1 3.88Å; F658-F663 AromaticContact CZ-CD2 3.87Å; F658-F663 HydrophobicContact CZ-CD2 3.87Å; F658-F663 HydrophobicContact CZ-CE2 4.5Å; F658-F663 AromaticContact CZ-CG 3.51Å; F658-F663 HydrophobicContact CZ-CG 3.51Å; F658-V673 HydrophobicContact CD2-CG1 4.1Å; F658-V673 HydrophobicContact CD2-CG2 4.13Å; F658-V673 HydrophobicContact CE2-CG1 3.98Å; F658-V673 HydrophobicContact CE2-CG2 4.26Å; F658-L703 HydrophobicContact CE2-CD2 3.92Å; F658-L703 HydrophobicContact CZ-CD2 4.25Å; F658-F707 HydrophobicContact CB-CE1 4.44Å; F658-F707 HydrophobicContact CD1-CE1 4.01Å; F658-F707 HydrophobicContact CD1-CE2 4.41Å; F658-F707 AromaticContact CD1-CZ 3.42Å; F658-F707 HydrophobicContact CD1-CZ 3.42Å; F658-F707 VanDerWaalsContact CD1-CZ 3.42Å; F658-F707 HydrophobicContact CE1-CE2 4.23Å; F658-F707 AromaticContact CE1-CZ 3.6Å; F658-F707 HydrophobicContact CE1-CZ 3.6Å; F658-F707 HydrophobicContact CG-CE1 4.34Å; F658-F707 AromaticContact CG-CZ 3.99Å; F658-F707 HydrophobicContact CG-CZ 3.99Å; F658-F707 HydrophobicContact CZ-CZ 4.3Å
659C84.2Confident78Confident27 Ų2750.5 Ų50.518%0.18230%0.299CS..  trans-93105.4173.8-177.30000111.1S611 Y657 N661 S662 F663 Y669S611-C659 VanDerWaalsContact CB-CB 3.42Å; S611-C659 WeakPolarHBondContact OG-CB 3.48Å; S611-C659 PolarHBondContact OG-SG 2.84Å; Y657-C659 PolarHBondContact O-N 3.32Å; C659-N661 VanDerWaalsContact C-N 3.29Å; C659-N661 PolarHBondContact O-N 3.04Å; C659-S662 PolarHBondContact O-N 2.82Å; C659-S662 PolarHBondContact SG-N 2.86Å; C659-S662 VanDerWaalsContact SG-N 3.43Å; C659-F663 WeakPolarHBondContact O-CB 3.37Å; C659-F663 PolarHBondContact O-N 2.97Å; C659-Y669 HydrophobicContact CB-CE1 4.32Å; C659-Y669 PolarHBondContact N-OH 3.29Å; C659-Y669 WeakPolarHBondContact O-CE1 3.25Å
660A73.7Confident77.7Confident17 Ų1751 Ų5114%0.1430%0.299CS..Hα-helixtrans-59.9-37.2176.100000113.5F658 F663 A664 V794F658-A660 HydrophobicContact CD1-CB 4.46Å; F658-A660 HydrophobicContact CE1-CB 3.83Å; A660-F663 PolarHBondContact O-N 2.77Å; A660-A664 WeakPolarHBondContact O-CB 3.14Å; A660-A664 PolarHBondContact O-N 3.13Å; A660-V794 HydrophobicContact CB-CB 3.62Å; A660-V794 HydrophobicContact CB-CG2 3.57Å
661N58.6Low77.3Confident118 Ų11851.7 Ų51.763%0.63130%0.296SS*.Hα-helixtrans-64.9-44.4-179.4-65.2-1.2000110.6C659 A664 T665C659-N661 VanDerWaalsContact C-N 3.29Å; C659-N661 PolarHBondContact O-N 3.04Å; N661-A664 PolarHBondContact O-N 3.05Å; N661-T665 WeakPolarHBondContact O-CB 3.41Å; N661-T665 WeakPolarHBondContact O-CG2 3.47Å; N661-T665 PolarHBondContact O-N 2.98Å; N661-T665 VanDerWaalsContact O-N 3.15Å; N661-T665 PolarHBondContact O-OG1 3.37Å
662S72.8Confident77.1Confident12 Ų1251.5 Ų51.58%0.08430%0.295CS..Hα-helixtrans-67.1-36.1173.5-64.80000112.3S611 C659 A664 T665 L666S611-S662 WeakPolarHBondContact CB-OG 3.49Å; S611-S662 PolarHBondContact OG-OG 3.07Å; S611-S662 VanDerWaalsContact OG-OG 3.09Å; C659-S662 PolarHBondContact O-N 2.82Å; C659-S662 PolarHBondContact SG-N 2.86Å; C659-S662 VanDerWaalsContact SG-N 3.43Å; S662-A664 VanDerWaalsContact C-N 3.31Å; S662-A664 PolarHBondContact O-N 3.2Å; S662-T665 PolarHBondContact O-N 2.76Å; S662-L666 WeakPolarHBondContact O-CA 3.44Å; S662-L666 WeakPolarHBondContact O-CB 3.4Å; S662-L666 PolarHBondContact O-N 3.39Å
663F79.2Confident77.3Confident22 Ų2250 Ų5010%0.09628%0.282CS..Hα-helixtrans-65.5-32175.9-170.3-95000113.5F658 C659 A660 Y669 R670 V673 L699 L703F658-F663 HydrophobicContact CE1-CB 4.44Å; F658-F663 HydrophobicContact CE2-CB 3.86Å; F658-F663 HydrophobicContact CE2-CD1 4.36Å; F658-F663 AromaticContact CE2-CD2 3.5Å; F658-F663 HydrophobicContact CE2-CD2 3.5Å; F658-F663 HydrophobicContact CE2-CE2 4.07Å; F658-F663 AromaticContact CE2-CG 3.66Å; F658-F663 HydrophobicContact CE2-CG 3.66Å; F658-F663 HydrophobicContact CZ-CB 3.57Å; F658-F663 AromaticContact CZ-CD1 3.88Å; F658-F663 HydrophobicContact CZ-CD1 3.88Å; F658-F663 AromaticContact CZ-CD2 3.87Å; F658-F663 HydrophobicContact CZ-CD2 3.87Å; F658-F663 HydrophobicContact CZ-CE2 4.5Å; F658-F663 AromaticContact CZ-CG 3.51Å; F658-F663 HydrophobicContact CZ-CG 3.51Å; C659-F663 WeakPolarHBondContact O-CB 3.37Å; C659-F663 PolarHBondContact O-N 2.97Å; A660-F663 PolarHBondContact O-N 2.77Å; F663-Y669 HydrophobicContact CB-CD1 4.01Å; F663-Y669 HydrophobicContact CB-CE1 4.21Å; F663-Y669 HydrophobicContact CD2-CD1 4.45Å; F663-R670 HydrophobicContact CD1-CG 4.46Å; F663-R670 HydrophobicContact CD2-CB 4.26Å; F663-R670 HydrophobicContact CD2-CG 4.01Å; F663-R670 HydrophobicContact CE1-CG 4.15Å; F663-R670 HydrophobicContact CE2-CB 4.3Å; F663-R670 HydrophobicContact CE2-CG 3.68Å; F663-R670 HydrophobicContact CG-CG 4.39Å; F663-R670 HydrophobicContact CZ-CG 3.76Å; F663-V673 HydrophobicContact CD2-CB 4.02Å; F663-V673 HydrophobicContact CD2-CG1 4.23Å; F663-V673 HydrophobicContact CD2-CG2 4.22Å; F663-V673 HydrophobicContact CE2-CB 3.92Å; F663-V673 HydrophobicContact CE2-CG1 3.9Å; F663-L699 HydrophobicContact CE1-CD2 4.32Å; F663-L699 HydrophobicContact CZ-CD1 4.08Å; F663-L699 HydrophobicContact CZ-CD2 3.91Å; F663-L699 HydrophobicContact CZ-CG 4.18Å; F663-L703 HydrophobicContact CE1-CD1 3.8Å; F663-L703 HydrophobicContact CE2-CD2 4.34Å; F663-L703 HydrophobicContact CZ-CD1 3.71Å; F663-L703 HydrophobicContact CZ-CD2 4.17Å; F663-L703 HydrophobicContact CZ-CG 4.37Å
664A56.3Low77.3Confident86 Ų8651.6 Ų51.671%0.71129%0.287SS*.Hα-helixtrans-83.5-17.3176.500000114.2A660 N661 S662A660-A664 WeakPolarHBondContact O-CB 3.14Å; A660-A664 PolarHBondContact O-N 3.13Å; N661-A664 PolarHBondContact O-N 3.05Å; S662-A664 VanDerWaalsContact C-N 3.31Å; S662-A664 PolarHBondContact O-N 3.2Å
665T51.1Low77Confident106 Ų10654.7 Ų54.765%0.6530%0.304SS*.Hα-helixtrans-120.7-24.6-171.657.10000115.4N661 S662N661-T665 WeakPolarHBondContact O-CB 3.41Å; N661-T665 WeakPolarHBondContact O-CG2 3.47Å; N661-T665 PolarHBondContact O-N 2.98Å; N661-T665 VanDerWaalsContact O-N 3.15Å; N661-T665 PolarHBondContact O-OG1 3.37Å; S662-T665 PolarHBondContact O-N 2.76Å
666L65.6Low77.5Confident61 Ų6152.2 Ų52.232%0.31929%0.286SS..  trans-115.9108.8-177.1-58.4178.7000110.4F610 S662 T668 Y669 R670F610-L666 HydrophobicContact CD1-CD1 4.37Å; S662-L666 WeakPolarHBondContact O-CA 3.44Å; S662-L666 WeakPolarHBondContact O-CB 3.4Å; S662-L666 PolarHBondContact O-N 3.39Å; L666-T668 VanDerWaalsContact C-N 3.27Å; L666-T668 PolarHBondContact O-N 2.83Å; L666-Y669 WeakPolarHBondContact O-CB 3.35Å; L666-Y669 PolarHBondContact O-N 3.3Å; L666-R670 PolarHBondContact O-N 3.3Å
667V76Confident77.9Confident101 Ų10147.9 Ų47.961%0.61227%0.266SS*.Hα-helixtrans-55.6-43178.8-177.90000111.3Y669 R670 E671V667-Y669 VanDerWaalsContact C-N 3.33Å; V667-Y669 PolarHBondContact O-N 3.15Å; V667-R670 VanDerWaalsContact O-CB 3.32Å; V667-R670 WeakPolarHBondContact O-CB 3.49Å; V667-R670 PolarHBondContact O-N 3.25Å; V667-R670 VanDerWaalsContact O-N 3.14Å; V667-E671 HydrophobicContact CG1-CG 4.42Å; V667-E671 WeakPolarHBondContact O-CG 3.4Å; V667-E671 PolarHBondContact O-N 2.97Å
668T77.3Confident77.7Confident63 Ų6348.4 Ų48.439%0.38727%0.271SS..Hα-helixtrans-65.4-30.9178.252.50000113.6L666 A672L666-T668 VanDerWaalsContact C-N 3.27Å; L666-T668 PolarHBondContact O-N 2.83Å; T668-A672 VanDerWaalsContact O-CB 3.26Å; T668-A672 WeakPolarHBondContact O-CB 3.44Å; T668-A672 PolarHBondContact O-N 2.69Å
669Y82.5Confident77.6Confident0 Ų049.2 Ų49.20%028%0.275CS..Hα-helixtrans-72.9-40.2172.5-169.6-93.7000110.9P612 W613 C659 F663 L666 V667 E671 A672 V673P612-Y669 VanDerWaalsContact O-CE2 3.25Å; P612-Y669 WeakPolarHBondContact O-CE2 3.13Å; P612-Y669 PolarHBondContact O-OH 2.8Å; W613-Y669 AromaticContact CD2-CD2 3.93Å; W613-Y669 HydrophobicContact CD2-CD2 3.93Å; W613-Y669 HydrophobicContact CD2-CE2 4.35Å; W613-Y669 AromaticContact CE3-CD2 3.58Å; W613-Y669 HydrophobicContact CE3-CD2 3.58Å; W613-Y669 HydrophobicContact CE3-CE2 4.12Å; W613-Y669 AromaticContact CH2-CD2 3.97Å; W613-Y669 HydrophobicContact CH2-CD2 3.97Å; W613-Y669 HydrophobicContact CH2-CG 4.42Å; W613-Y669 HydrophobicContact CZ2-CD2 4.33Å; W613-Y669 AromaticContact CZ3-CD2 3.61Å; W613-Y669 HydrophobicContact CZ3-CD2 3.61Å; W613-Y669 HydrophobicContact CZ3-CG 4.4Å; C659-Y669 HydrophobicContact CB-CE1 4.32Å; C659-Y669 PolarHBondContact N-OH 3.29Å; C659-Y669 WeakPolarHBondContact O-CE1 3.25Å; F663-Y669 HydrophobicContact CB-CD1 4.01Å; F663-Y669 HydrophobicContact CB-CE1 4.21Å; F663-Y669 HydrophobicContact CD2-CD1 4.45Å; L666-Y669 WeakPolarHBondContact O-CB 3.35Å; L666-Y669 PolarHBondContact O-N 3.3Å; V667-Y669 VanDerWaalsContact C-N 3.33Å; V667-Y669 PolarHBondContact O-N 3.15Å; Y669-E671 VanDerWaalsContact C-N 3.34Å; Y669-E671 PolarHBondContact O-N 2.86Å; Y669-A672 PolarHBondContact O-N 2.82Å; Y669-V673 HydrophobicContact CD1-CG2 4.04Å; Y669-V673 HydrophobicContact CE1-CG2 3.76Å; Y669-V673 WeakPolarHBondContact O-CG2 3.44Å; Y669-V673 PolarHBondContact O-N 2.77Å
670R82.1Confident77.7Confident83 Ų8348 Ų4831%0.31327%0.266SS..Hα-helixtrans-59.6-44.7175.5-162.3178.4-167.8-156-1.4111.5F663 L666 V667 L674 E696F663-R670 HydrophobicContact CD1-CG 4.46Å; F663-R670 HydrophobicContact CD2-CB 4.26Å; F663-R670 HydrophobicContact CD2-CG 4.01Å; F663-R670 HydrophobicContact CE1-CG 4.15Å; F663-R670 HydrophobicContact CE2-CB 4.3Å; F663-R670 HydrophobicContact CE2-CG 3.68Å; F663-R670 HydrophobicContact CG-CG 4.39Å; F663-R670 HydrophobicContact CZ-CG 3.76Å; L666-R670 PolarHBondContact O-N 3.3Å; V667-R670 VanDerWaalsContact O-CB 3.32Å; V667-R670 WeakPolarHBondContact O-CB 3.49Å; V667-R670 PolarHBondContact O-N 3.25Å; V667-R670 VanDerWaalsContact O-N 3.14Å; R670-L674 WeakPolarHBondContact O-CB 3.5Å; R670-L674 PolarHBondContact O-N 3.27Å; R670-E696 IonicContact CZ-OE1 3.17Å; R670-E696 IonicContact CZ-OE2 3.33Å; R670-E696 IonicContact NH1-OE1 2.74Å; R670-E696 PolarHBondContact NH1-OE1 3.37Å; R670-E696 IonicContact NH2-OE1 2.68Å; R670-E696 PolarHBondContact NH2-OE1 2.98Å; R670-E696 IonicContact NH2-OE2 2.99Å; R670-E696 PolarHBondContact NH2-OE2 3.29Å
671E80.3Confident78.2Confident92 Ų9247.5 Ų47.543%0.4326%0.263SS..Hα-helixtrans-65.9-44.1173.6-71.4170.216800112.4V667 Y669 V673 L674 L675V667-E671 HydrophobicContact CG1-CG 4.42Å; V667-E671 WeakPolarHBondContact O-CG 3.4Å; V667-E671 PolarHBondContact O-N 2.97Å; Y669-E671 VanDerWaalsContact C-N 3.34Å; Y669-E671 PolarHBondContact O-N 2.86Å; E671-V673 PolarHBondContact O-N 3.23Å; E671-L674 PolarHBondContact O-N 2.71Å; E671-L675 WeakPolarHBondContact O-CB 3.47Å; E671-L675 VanDerWaalsContact O-CG 3.32Å; E671-L675 WeakPolarHBondContact O-CG 3.48Å; E671-L675 PolarHBondContact O-N 3.18Å
672A85.5Confident79.3Confident0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-59.2-45.1177.200000112.6W613 P614 Y635 T668 Y669 S676W613-A672 HydrophobicContact CZ2-CB 3.89Å; P614-A672 HydrophobicContact CG-CB 3.97Å; Y635-A672 WeakPolarHBondContact CB-O 3.46Å; Y635-A672 WeakPolarHBondContact O-CB 3.5Å; T668-A672 VanDerWaalsContact O-CB 3.26Å; T668-A672 WeakPolarHBondContact O-CB 3.44Å; T668-A672 PolarHBondContact O-N 2.69Å; Y669-A672 PolarHBondContact O-N 2.82Å; A672-S676 WeakPolarHBondContact O-CB 3.23Å; A672-S676 PolarHBondContact O-N 3.35Å; A672-S676 VanDerWaalsContact O-N 3.08Å; A672-S676 PolarHBondContact O-OG 3.47Å
673V88.8Confident79.9Confident0 Ų046.5 Ų46.50%025%0.253CS..Hα-helixtrans-64.7-44.2174.4173.20000111.2W604 P614 F654 F658 F663 Y669 E671 L675 S676 L677 L703W604-V673 HydrophobicContact CH2-CG2 4.39Å; P614-V673 HydrophobicContact CG-CG2 4.34Å; F654-V673 HydrophobicContact CE2-CG1 4.13Å; F654-V673 HydrophobicContact CZ-CG1 3.9Å; F658-V673 HydrophobicContact CD2-CG1 4.1Å; F658-V673 HydrophobicContact CD2-CG2 4.13Å; F658-V673 HydrophobicContact CE2-CG1 3.98Å; F658-V673 HydrophobicContact CE2-CG2 4.26Å; F663-V673 HydrophobicContact CD2-CB 4.02Å; F663-V673 HydrophobicContact CD2-CG1 4.23Å; F663-V673 HydrophobicContact CD2-CG2 4.22Å; F663-V673 HydrophobicContact CE2-CB 3.92Å; F663-V673 HydrophobicContact CE2-CG1 3.9Å; Y669-V673 HydrophobicContact CD1-CG2 4.04Å; Y669-V673 HydrophobicContact CE1-CG2 3.76Å; Y669-V673 WeakPolarHBondContact O-CG2 3.44Å; Y669-V673 PolarHBondContact O-N 2.77Å; E671-V673 PolarHBondContact O-N 3.23Å; V673-L675 PolarHBondContact O-N 2.99Å; V673-S676 WeakPolarHBondContact CA-OG 3.38Å; V673-S676 PolarHBondContact O-OG 2.8Å; V673-L677 HydrophobicContact CG1-CD1 3.76Å; V673-L677 HydrophobicContact CG1-CG 4.23Å; V673-L677 WeakPolarHBondContact O-CB 3.37Å; V673-L677 VanDerWaalsContact O-CG 3.26Å; V673-L677 WeakPolarHBondContact O-CG 3.27Å; V673-L677 PolarHBondContact O-N 3.42Å; V673-L703 HydrophobicContact CG1-CD2 4.19Å
674L83.4Confident80Confident56 Ų5646.1 Ų46.129%0.29325%0.253SS..Hα-helixtrans-60.3-47.4177.7176.956.9000112.3R670 E671 L677 Q678 L699R670-L674 WeakPolarHBondContact O-CB 3.5Å; R670-L674 PolarHBondContact O-N 3.27Å; E671-L674 PolarHBondContact O-N 2.71Å; L674-L677 PolarHBondContact O-N 3.39Å; L674-Q678 HydrophobicContact CD1-CG 4.11Å; L674-Q678 WeakPolarHBondContact O-CG 3.32Å; L674-Q678 PolarHBondContact O-N 2.85Å; L674-L699 HydrophobicContact CB-CD1 4.36Å; L674-L699 HydrophobicContact CD1-CD1 3.88Å; L674-L699 HydrophobicContact CG-CD1 4.48Å
675L83.2Confident80.8Confident67 Ų6744.6 Ų44.635%0.35125%0.246SC..Hα-helixtrans-63.9-46.5-179.3-70.2168.4000112.1Y635 E671 V673 L677 Q678 E679Y635-L675 HydrophobicContact CD1-CB 3.85Å; Y635-L675 HydrophobicContact CG-CB 4.47Å; E671-L675 WeakPolarHBondContact O-CB 3.47Å; E671-L675 VanDerWaalsContact O-CG 3.32Å; E671-L675 WeakPolarHBondContact O-CG 3.48Å; E671-L675 PolarHBondContact O-N 3.18Å; V673-L675 PolarHBondContact O-N 2.99Å; L675-L677 VanDerWaalsContact C-N 3.3Å; L675-L677 PolarHBondContact O-N 3.4Å; L675-Q678 PolarHBondContact O-N 3.49Å; L675-E679 PolarHBondContact O-N 3.16Å
676S90.7Very high82.2Confident0 Ų043.2 Ų43.20%023%0.231CC..Hα-helixtrans-61.7-35.8175.655.70000112.8A672 V673 A680A672-S676 WeakPolarHBondContact O-CB 3.23Å; A672-S676 PolarHBondContact O-N 3.35Å; A672-S676 VanDerWaalsContact O-N 3.08Å; A672-S676 PolarHBondContact O-OG 3.47Å; V673-S676 WeakPolarHBondContact CA-OG 3.38Å; V673-S676 PolarHBondContact O-OG 2.8Å; S676-A680 WeakPolarHBondContact O-CB 3.43Å; S676-A680 PolarHBondContact O-N 3.2Å
677L89Confident82.5Confident1 Ų149.7 Ų49.71%0.00526%0.256CS..Hα-helixtrans-75.1-32.3175.9-72.4-178.3000113.8F651 F654 V673 L674 L675 A680 A681 V702 L703 A706 F710F651-L677 HydrophobicContact CE1-CD2 3.95Å; F651-L677 HydrophobicContact CZ-CD2 3.79Å; F651-L677 HydrophobicContact CZ-CG 4.37Å; F654-L677 HydrophobicContact CD2-CD2 3.99Å; F654-L677 HydrophobicContact CE2-CD1 3.84Å; F654-L677 HydrophobicContact CE2-CD2 3.6Å; F654-L677 HydrophobicContact CE2-CG 3.91Å; F654-L677 HydrophobicContact CZ-CD1 3.8Å; F654-L677 HydrophobicContact CZ-CD2 4.31Å; F654-L677 HydrophobicContact CZ-CG 4.38Å; V673-L677 HydrophobicContact CG1-CD1 3.76Å; V673-L677 HydrophobicContact CG1-CG 4.23Å; V673-L677 WeakPolarHBondContact O-CB 3.37Å; V673-L677 VanDerWaalsContact O-CG 3.26Å; V673-L677 WeakPolarHBondContact O-CG 3.27Å; V673-L677 PolarHBondContact O-N 3.42Å; L674-L677 PolarHBondContact O-N 3.39Å; L675-L677 VanDerWaalsContact C-N 3.3Å; L675-L677 PolarHBondContact O-N 3.4Å; L677-A680 PolarHBondContact O-N 2.84Å; L677-A681 WeakPolarHBondContact O-CB 3.2Å; L677-A681 PolarHBondContact O-N 3.15Å; L677-V702 HydrophobicContact CB-CG1 3.58Å; L677-V702 HydrophobicContact CD1-CG1 3.87Å; L677-V702 HydrophobicContact CG-CG1 4.33Å; L677-L703 HydrophobicContact CD1-CD2 3.99Å; L677-A706 HydrophobicContact CD1-CB 4.21Å; L677-A706 HydrophobicContact CD2-CB 3.44Å; L677-A706 VanDerWaalsContact CD2-CB 3.44Å; L677-F710 HydrophobicContact CD2-CE1 3.86Å; L677-F710 HydrophobicContact CD2-CZ 4.35Å
678Q83.3Confident82.4Confident78 Ų7847.2 Ų47.236%0.36424%0.237SC..Hα-helixtrans-63.3-42.6170.4-75.7172.6-6.800111L674 L675 A681 M682L674-Q678 HydrophobicContact CD1-CG 4.11Å; L674-Q678 WeakPolarHBondContact O-CG 3.32Å; L674-Q678 PolarHBondContact O-N 2.85Å; L675-Q678 PolarHBondContact O-N 3.49Å; Q678-A681 WeakPolarHBondContact O-CB 3.26Å; Q678-A681 PolarHBondContact O-N 3.36Å; Q678-M682 PolarHBondContact O-N 2.96Å; Q678-M682 VanDerWaalsContact O-N 3.09Å
679E85.1Confident81.3Confident44 Ų4447.4 Ų47.421%0.20624%0.241CC..Hα-helixtrans-68.3-42.4175.8-158.3-172.7133.300112.1Y635 L675 A681 M682 R683Y635-E679 VanDerWaalsContact OH-CD 3.28Å; Y635-E679 PolarHBondContact OH-OE2 2.98Å; L675-E679 PolarHBondContact O-N 3.16Å; E679-A681 VanDerWaalsContact C-N 3.27Å; E679-A681 PolarHBondContact O-N 3.18Å; E679-M682 HydrophobicContact CG-CE 4.27Å; E679-M682 PolarHBondContact O-N 3.47Å; E679-R683 WeakPolarHBondContact O-CG 3.4Å; E679-R683 PolarHBondContact O-N 3.48Å; E679-R683 IonicContact OE1-CZ 2.62Å; E679-R683 IonicContact OE1-NE 3.03Å; E679-R683 PolarHBondContact OE1-NE 3.23Å; E679-R683 IonicContact OE1-NH2 3.89Å; E679-R683 PolarHBondContact OE1-NH2 3.29Å
680A87.9Confident79.7Confident0 Ų053.5 Ų53.50%028%0.28CS..Hα-helixtrans-55.2-42.1171.200000111.9L602 F651 S676 L677 R683 C684 W705 F710 L718L602-A680 HydrophobicContact CD1-CB 4.1Å; F651-A680 HydrophobicContact CE1-CB 3.91Å; S676-A680 WeakPolarHBondContact O-CB 3.43Å; S676-A680 PolarHBondContact O-N 3.2Å; L677-A680 PolarHBondContact O-N 2.84Å; A680-R683 PolarHBondContact O-N 2.88Å; A680-C684 WeakPolarHBondContact O-CB 3.22Å; A680-C684 PolarHBondContact O-N 3.48Å; A680-C684 PolarHBondContact O-SG 3.47Å; A680-C684 VanDerWaalsContact O-SG 3.36Å; A680-W705 HydrophobicContact CB-CH2 4.35Å; A680-W705 HydrophobicContact CB-CZ3 4.32Å; A680-F710 HydrophobicContact CB-CE1 4.21Å; A680-L718 HydrophobicContact CB-CD2 3.55Å
681A84.1Confident77.6Confident8 Ų856.8 Ų56.87%0.06630%0.304CS..Hα-helixtrans-62.5-43.6176.700000112.4L677 Q678 E679 R683 C684 G685 K686 F688 W705L677-A681 WeakPolarHBondContact O-CB 3.2Å; L677-A681 PolarHBondContact O-N 3.15Å; Q678-A681 WeakPolarHBondContact O-CB 3.26Å; Q678-A681 PolarHBondContact O-N 3.36Å; E679-A681 VanDerWaalsContact C-N 3.27Å; E679-A681 PolarHBondContact O-N 3.18Å; A681-R683 PolarHBondContact O-N 2.85Å; A681-C684 PolarHBondContact O-N 3.18Å; A681-G685 CarbonylContact O-C 3.59Å; A681-G685 PolarHBondContact O-N 3.09Å; A681-K686 HydrophobicContact CB-CB 4.26Å; A681-K686 PolarHBondContact O-N 3.32Å; A681-F688 HydrophobicContact CB-CD2 4.47Å; A681-F688 HydrophobicContact CB-CE2 3.87Å; A681-W705 HydrophobicContact CB-CH2 4.22Å; A681-W705 HydrophobicContact CB-CZ3 3.96Å
682M81.6Confident75.6Confident85 Ų8556.3 Ų56.342%0.41930%0.303SS..Hα-helixtrans-63.2-39.5174.2-68.4-164.7-67.600112.7Q678 E679 G685 K721Q678-M682 PolarHBondContact O-N 2.96Å; Q678-M682 VanDerWaalsContact O-N 3.09Å; E679-M682 HydrophobicContact CG-CE 4.27Å; E679-M682 PolarHBondContact O-N 3.47Å; M682-G685 PolarHBondContact O-N 3.07Å; M682-K721 PolarHBondContact O-NZ 2.73Å
683R84.6Confident73.4Confident24 Ų2466.3 Ų66.39%0.09135%0.35CS..Hα-helixtrans-64.3-50.6175.5-67.4168.3176.3-125.22.8110.8G600 E679 A680 A681 G685 G717 L718 K721G600-R683 VanDerWaalsContact O-CZ 3.26Å; G600-R683 PolarHBondContact O-NH1 3.42Å; G600-R683 PolarHBondContact O-NH2 2.95Å; E679-R683 WeakPolarHBondContact O-CG 3.4Å; E679-R683 PolarHBondContact O-N 3.48Å; E679-R683 IonicContact OE1-CZ 2.62Å; E679-R683 IonicContact OE1-NE 3.03Å; E679-R683 PolarHBondContact OE1-NE 3.23Å; E679-R683 IonicContact OE1-NH2 3.89Å; E679-R683 PolarHBondContact OE1-NH2 3.29Å; A680-R683 PolarHBondContact O-N 2.88Å; A681-R683 PolarHBondContact O-N 2.85Å; R683-G685 PolarHBondContact O-N 2.68Å; R683-G717 CarbonylContact C-O 3.51Å; R683-G717 VanDerWaalsContact CB-O 3.28Å; R683-G717 WeakPolarHBondContact CB-O 3.39Å; R683-L718 WeakPolarHBondContact CD-O 3.3Å; R683-L718 PolarHBondContact NH1-O 3.29Å; R683-K721 WeakPolarHBondContact O-CE 3.41Å; R683-K721 PolarHBondContact O-NZ 3.48Å
684C81.6Confident71.5Confident14 Ų1470.4 Ų70.410%0.09537%0.372CS..Hα-helixtrans-69.2-9.1176-66.90000115.1A680 A681 K686 W705 T713 G717A680-C684 WeakPolarHBondContact O-CB 3.22Å; A680-C684 PolarHBondContact O-N 3.48Å; A680-C684 PolarHBondContact O-SG 3.47Å; A680-C684 VanDerWaalsContact O-SG 3.36Å; A681-C684 PolarHBondContact O-N 3.18Å; C684-K686 HydrophobicContact CB-CB 4.4Å; C684-K686 PolarHBondContact O-N 3.26Å; C684-W705 HydrophobicContact CB-CH2 3.81Å; C684-W705 HydrophobicContact CB-CZ2 3.58Å; C684-T713 WeakPolarHBondContact CB-OG1 3.42Å; C684-T713 PolarHBondContact SG-OG1 3.47Å; C684-G717 PolarHBondContact N-O 2.99Å; C684-G717 VanDerWaalsContact SG-C 3.53Å; C684-G717 PolarHBondContact SG-O 3.48Å
685G72.8Confident70.2Confident54 Ų5472.2 Ų72.256%0.55739%0.389SS*.THydrogen-bonded Turntrans7015.2-173.900000114.2A681 M682 R683 K687A681-G685 CarbonylContact O-C 3.59Å; A681-G685 PolarHBondContact O-N 3.09Å; M682-G685 PolarHBondContact O-N 3.07Å; R683-G685 PolarHBondContact O-N 2.68Å; G685-K687 PolarHBondContact O-N 2.91Å
686K80.6Confident69.1Low77 Ų7773.4 Ų73.434%0.33539%0.393SS..  trans-76.8107.6-178.2-177.573.2175.1-175.40109.7A681 C684 F688 W705A681-K686 HydrophobicContact CB-CB 4.26Å; A681-K686 PolarHBondContact O-N 3.32Å; C684-K686 HydrophobicContact CB-CB 4.4Å; C684-K686 PolarHBondContact O-N 3.26Å; K686-F688 HydrophobicContact CB-CE2 4.36Å; K686-F688 HydrophobicContact CD-CZ 4.43Å; K686-F688 HydrophobicContact CG-CD2 4.25Å; K686-F688 HydrophobicContact CG-CE1 4.41Å; K686-F688 HydrophobicContact CG-CE2 3.5Å; K686-F688 HydrophobicContact CG-CZ 3.6Å; K686-W705 HydrophobicContact CB-CH2 4.15Å; K686-W705 HydrophobicContact CB-CZ2 3.79Å; K686-W705 HydrophobicContact CD-CD2 4.46Å; K686-W705 HydrophobicContact CD-CG 4.45Å; K686-W705 HydrophobicContact CG-CD2 3.99Å; K686-W705 HydrophobicContact CG-CE3 4.45Å; K686-W705 HydrophobicContact CG-CG 4.4Å; K686-W705 HydrophobicContact CG-CH2 4.49Å; K686-W705 HydrophobicContact CG-CZ2 4.03Å
687K73.1Confident67.7Low196 Ų19678 Ų7885%0.85241%0.414SS*.  trans-88.2135.3169.4-62.1-173.6-179.2-176.60110.1G685G685-K687 PolarHBondContact O-N 2.91Å
688F72.3Confident66.6Low50 Ų5080 Ų8022%0.21943%0.427CS..  trans-104.3150.9167-62.8-91.2000108.5A681 K686 Q701 V702 W705A681-F688 HydrophobicContact CB-CD2 4.47Å; A681-F688 HydrophobicContact CB-CE2 3.87Å; K686-F688 HydrophobicContact CB-CE2 4.36Å; K686-F688 HydrophobicContact CD-CZ 4.43Å; K686-F688 HydrophobicContact CG-CD2 4.25Å; K686-F688 HydrophobicContact CG-CE1 4.41Å; K686-F688 HydrophobicContact CG-CE2 3.5Å; K686-F688 HydrophobicContact CG-CZ 3.6Å; F688-Q701 HydrophobicContact CD1-CB 4.14Å; F688-Q701 HydrophobicContact CE1-CB 4.17Å; F688-V702 HydrophobicContact CD1-CG2 3.95Å; F688-V702 HydrophobicContact CD2-CG2 3.91Å; F688-V702 HydrophobicContact CE1-CB 4.44Å; F688-V702 HydrophobicContact CE1-CG2 3.78Å; F688-V702 HydrophobicContact CE2-CG2 3.74Å; F688-V702 HydrophobicContact CG-CG2 4.02Å; F688-V702 HydrophobicContact CZ-CB 4.26Å; F688-V702 HydrophobicContact CZ-CG2 3.68Å; F688-W705 HydrophobicContact CE1-CB 4.4Å; F688-W705 HydrophobicContact CE2-CE3 4.33Å; F688-W705 HydrophobicContact CZ-CB 4.12Å; F688-W705 HydrophobicContact CZ-CD2 4.04Å; F688-W705 AromaticContact CZ-CE3 3.89Å; F688-W705 HydrophobicContact CZ-CE3 3.89Å; F688-W705 HydrophobicContact CZ-CG 4.14Å
689S55.1Low66.1Low67 Ų6777 Ų7747%0.46941%0.414SS..  trans-79.1126.4-173-170.90000111.5L691S689-L691 PolarHBondContact O-N 2.74Å
690P48.4Very low65.8Low127 Ų12779.1 Ų79.183%0.82542%0.422SS*.THydrogen-bonded Turntrans-81.612.2-179.635.4-37.4000113.8
691L38Very low65.2Low153 Ų15382.7 Ų82.780%0.80144%0.438SS*.THydrogen-bonded Turntrans-95.54.7-171.6-96.5164.3000115.1S689S689-L691 PolarHBondContact O-N 2.74Å
692L38.8Very low65.1Low81 Ų8182.6 Ų82.642%0.42444%0.437SS..  trans-104.6132.8175.1-63.8171.7000109.8D694L692-D694 VanDerWaalsContact C-N 3.29Å; L692-D694 PolarHBondContact O-N 3.39Å
693Q40.2Very low65.3Low210 Ų21078.8 Ų78.898%0.98142%0.419SS*.SBendtrans-83.4-0.3-176.1-66.4-175.3-900113.9
694D47.3Very low65.1Low86 Ų8681.1 Ų81.146%0.4643%0.433SS..  trans-107.8120.8-179.1-162.5-28.3000112L692 E696L692-D694 VanDerWaalsContact C-N 3.29Å; L692-D694 PolarHBondContact O-N 3.39Å; D694-E696 WeakPolarHBondContact OD1-CB 3.35Å; D694-E696 PolarHBondContact OD1-N 2.79Å
695S56.7Low65.5Low94 Ų9481.4 Ų81.466%0.65743%0.432SS*.Hα-helixtrans-69.2-28.117746.40000113.9L699S695-L699 WeakPolarHBondContact O-CB 3.32Å; S695-L699 PolarHBondContact O-N 3.25Å
696E59.5Low66.1Low92 Ų9279 Ų7943%0.4341%0.407SS..Hα-helixtrans-72.2-36.4-179.2-70.6-69.5173.800111.6R670 D694 L699 K700R670-E696 IonicContact CZ-OE1 3.17Å; R670-E696 IonicContact CZ-OE2 3.33Å; R670-E696 IonicContact NH1-OE1 2.74Å; R670-E696 PolarHBondContact NH1-OE1 3.37Å; R670-E696 IonicContact NH2-OE1 2.68Å; R670-E696 PolarHBondContact NH2-OE1 2.98Å; R670-E696 IonicContact NH2-OE2 2.99Å; R670-E696 PolarHBondContact NH2-OE2 3.29Å; D694-E696 WeakPolarHBondContact OD1-CB 3.35Å; D694-E696 PolarHBondContact OD1-N 2.79Å; E696-L699 PolarHBondContact O-N 3.18Å; E696-K700 WeakPolarHBondContact O-CB 3.44Å; E696-K700 PolarHBondContact O-N 3.47Å
697E61.5Low66.2Low96 Ų9676.1 Ų76.145%0.44939%0.394SS..Hα-helixtrans-71.3-38.1178-171.5165.3-133.600112.2K700 Q701E697-K700 PolarHBondContact O-N 3.48Å; E697-Q701 WeakPolarHBondContact O-CG 3.47Å; E697-Q701 PolarHBondContact O-N 3.11Å
698V66.8Low66.4Low45 Ų4569.1 Ų69.127%0.27338%0.377SS..Hα-helixtrans-63.3-45171.5178.10000110.6K700 Q701 V702V698-K700 VanDerWaalsContact C-N 3.32Å; V698-K700 PolarHBondContact O-N 2.9Å; V698-Q701 PolarHBondContact O-N 3.12Å; V698-V702 HydrophobicContact CG1-CG2 4.33Å; V698-V702 VanDerWaalsContact O-CG2 3.26Å; V698-V702 WeakPolarHBondContact O-CG2 3.48Å; V698-V702 PolarHBondContact O-N 3.13Å
699L73Confident66.9Low15 Ų1568 Ų688%0.07938%0.38CS..Hα-helixtrans-59.2-42.8176.8-17767.9000111.8F663 L674 S695 E696 V702 L703F663-L699 HydrophobicContact CE1-CD2 4.32Å; F663-L699 HydrophobicContact CZ-CD1 4.08Å; F663-L699 HydrophobicContact CZ-CD2 3.91Å; F663-L699 HydrophobicContact CZ-CG 4.18Å; L674-L699 HydrophobicContact CB-CD1 4.36Å; L674-L699 HydrophobicContact CD1-CD1 3.88Å; L674-L699 HydrophobicContact CG-CD1 4.48Å; S695-L699 WeakPolarHBondContact O-CB 3.32Å; S695-L699 PolarHBondContact O-N 3.25Å; E696-L699 PolarHBondContact O-N 3.18Å; L699-V702 PolarHBondContact O-N 3.48Å; L699-L703 HydrophobicContact CG-CD1 4.25Å; L699-L703 WeakPolarHBondContact O-CB 3.02Å; L699-L703 WeakPolarHBondContact O-CG 3.33Å; L699-L703 PolarHBondContact O-N 3.01Å
700K77.1Confident68.5Low88 Ų8864.8 Ų64.838%0.38336%0.358SS..Hα-helixtrans-59.2-49.6174.4-176.5-177.5176-171.80111.7E696 E697 V698 V702 L703 D704E696-K700 WeakPolarHBondContact O-CB 3.44Å; E696-K700 PolarHBondContact O-N 3.47Å; E697-K700 PolarHBondContact O-N 3.48Å; V698-K700 VanDerWaalsContact C-N 3.32Å; V698-K700 PolarHBondContact O-N 2.9Å; K700-V702 VanDerWaalsContact C-N 3.3Å; K700-V702 PolarHBondContact O-N 3.48Å; K700-L703 PolarHBondContact O-N 3.13Å; K700-D704 WeakPolarHBondContact O-CB 3.38Å; K700-D704 PolarHBondContact O-N 2.89Å
701Q77.1Confident69.9Low74 Ų7464.1 Ų64.135%0.34634%0.343SS..Hα-helixtrans-60.8-37.6177.8-69.2175.831.100112.9F688 E697 V698 W705F688-Q701 HydrophobicContact CD1-CB 4.14Å; F688-Q701 HydrophobicContact CE1-CB 4.17Å; E697-Q701 WeakPolarHBondContact O-CG 3.47Å; E697-Q701 PolarHBondContact O-N 3.11Å; V698-Q701 PolarHBondContact O-N 3.12Å; Q701-W705 VanDerWaalsContact O-CB 3.29Å; Q701-W705 WeakPolarHBondContact O-CB 3.48Å; Q701-W705 PolarHBondContact O-N 3.01Å; Q701-W705 VanDerWaalsContact O-N 3.1Å
702V82.3Confident71.5Confident7 Ų762 Ų624%0.04234%0.339CS..Hα-helixtrans-69.3-42.61781710000111.3L677 F688 V698 L699 K700 A706L677-V702 HydrophobicContact CB-CG1 3.58Å; L677-V702 HydrophobicContact CD1-CG1 3.87Å; L677-V702 HydrophobicContact CG-CG1 4.33Å; F688-V702 HydrophobicContact CD1-CG2 3.95Å; F688-V702 HydrophobicContact CD2-CG2 3.91Å; F688-V702 HydrophobicContact CE1-CB 4.44Å; F688-V702 HydrophobicContact CE1-CG2 3.78Å; F688-V702 HydrophobicContact CE2-CG2 3.74Å; F688-V702 HydrophobicContact CG-CG2 4.02Å; F688-V702 HydrophobicContact CZ-CB 4.26Å; F688-V702 HydrophobicContact CZ-CG2 3.68Å; V698-V702 HydrophobicContact CG1-CG2 4.33Å; V698-V702 VanDerWaalsContact O-CG2 3.26Å; V698-V702 WeakPolarHBondContact O-CG2 3.48Å; V698-V702 PolarHBondContact O-N 3.13Å; L699-V702 PolarHBondContact O-N 3.48Å; K700-V702 VanDerWaalsContact C-N 3.3Å; K700-V702 PolarHBondContact O-N 3.48Å; V702-A706 PolarHBondContact O-N 2.9Å
703L84.3Confident73.3Confident5 Ų560.9 Ų60.93%0.02634%0.336CS..Hα-helixtrans-63.2-52.7173.3-74.4169.4000111.5F654 F658 F663 V673 L677 L699 K700 W705 A706 F707F654-L703 HydrophobicContact CE1-CD2 4.39Å; F654-L703 HydrophobicContact CZ-CD2 4.08Å; F658-L703 HydrophobicContact CE2-CD2 3.92Å; F658-L703 HydrophobicContact CZ-CD2 4.25Å; F663-L703 HydrophobicContact CE1-CD1 3.8Å; F663-L703 HydrophobicContact CE2-CD2 4.34Å; F663-L703 HydrophobicContact CZ-CD1 3.71Å; F663-L703 HydrophobicContact CZ-CD2 4.17Å; F663-L703 HydrophobicContact CZ-CG 4.37Å; V673-L703 HydrophobicContact CG1-CD2 4.19Å; L677-L703 HydrophobicContact CD1-CD2 3.99Å; L699-L703 HydrophobicContact CG-CD1 4.25Å; L699-L703 WeakPolarHBondContact O-CB 3.02Å; L699-L703 WeakPolarHBondContact O-CG 3.33Å; L699-L703 PolarHBondContact O-N 3.01Å; K700-L703 PolarHBondContact O-N 3.13Å; L703-W705 PolarHBondContact O-N 3.32Å; L703-A706 PolarHBondContact O-N 3.09Å; L703-A706 VanDerWaalsContact O-N 3.1Å; L703-F707 HydrophobicContact CB-CD2 4.15Å; L703-F707 HydrophobicContact CB-CE2 4.36Å; L703-F707 HydrophobicContact CD2-CE2 4.44Å; L703-F707 VanDerWaalsContact O-CB 3.22Å; L703-F707 WeakPolarHBondContact O-CB 3.27Å; L703-F707 WeakPolarHBondContact O-CD2 3.45Å; L703-F707 PolarHBondContact O-N 3.12Å
704D81.8Confident75.1Confident73 Ų7351.2 Ų51.239%0.3929%0.292SS..Hα-helixtrans-58.8-34-178.2-74-23.3000111.8K700 F707 G708K700-D704 WeakPolarHBondContact O-CB 3.38Å; K700-D704 PolarHBondContact O-N 2.89Å; D704-F707 CarbonylContact O-C 3.54Å; D704-G708 PolarHBondContact O-N 3.08Å
705W88.3Confident76.6Confident19 Ų1950.5 Ų50.57%0.07229%0.292CS..Hα-helixtrans-65.9-47.8173171.362.6000113.5A680 A681 C684 K686 F688 Q701 L703 G708 G709 F710 Q711A680-W705 HydrophobicContact CB-CH2 4.35Å; A680-W705 HydrophobicContact CB-CZ3 4.32Å; A681-W705 HydrophobicContact CB-CH2 4.22Å; A681-W705 HydrophobicContact CB-CZ3 3.96Å; C684-W705 HydrophobicContact CB-CH2 3.81Å; C684-W705 HydrophobicContact CB-CZ2 3.58Å; K686-W705 HydrophobicContact CB-CH2 4.15Å; K686-W705 HydrophobicContact CB-CZ2 3.79Å; K686-W705 HydrophobicContact CD-CD2 4.46Å; K686-W705 HydrophobicContact CD-CG 4.45Å; K686-W705 HydrophobicContact CG-CD2 3.99Å; K686-W705 HydrophobicContact CG-CE3 4.45Å; K686-W705 HydrophobicContact CG-CG 4.4Å; K686-W705 HydrophobicContact CG-CH2 4.49Å; K686-W705 HydrophobicContact CG-CZ2 4.03Å; F688-W705 HydrophobicContact CE1-CB 4.4Å; F688-W705 HydrophobicContact CE2-CE3 4.33Å; F688-W705 HydrophobicContact CZ-CB 4.12Å; F688-W705 HydrophobicContact CZ-CD2 4.04Å; F688-W705 AromaticContact CZ-CE3 3.89Å; F688-W705 HydrophobicContact CZ-CE3 3.89Å; F688-W705 HydrophobicContact CZ-CG 4.14Å; Q701-W705 VanDerWaalsContact O-CB 3.29Å; Q701-W705 WeakPolarHBondContact O-CB 3.48Å; Q701-W705 PolarHBondContact O-N 3.01Å; Q701-W705 VanDerWaalsContact O-N 3.1Å; L703-W705 PolarHBondContact O-N 3.32Å; W705-G708 PolarHBondContact O-N 2.96Å; W705-G709 PolarHBondContact O-N 3.2Å; W705-F710 HydrophobicContact CE3-CD1 4.29Å; W705-F710 AromaticContact CH2-CD1 3.69Å; W705-F710 HydrophobicContact CH2-CD1 3.69Å; W705-F710 HydrophobicContact CZ2-CB 4.01Å; W705-F710 AromaticContact CZ2-CD1 4Å; W705-F710 HydrophobicContact CZ2-CD1 4Å; W705-F710 AromaticContact CZ3-CD1 3.85Å; W705-F710 HydrophobicContact CZ3-CD1 3.85Å; W705-F710 HydrophobicContact CZ3-CE1 4.32Å; W705-F710 PolarHBondContact O-N 2.84Å; W705-F710 VanDerWaalsContact O-N 3.13Å; W705-Q711 VanDerWaalsContact CD1-O 3.31Å; W705-Q711 PolarHBondContact NE1-O 2.86Å
706A86.1Confident77.4Confident3 Ų351 Ų513%0.02529%0.288CS..Hα-helixtrans-64.3-43.7176.100000111.5F654 L677 V702 L703 G708 G709 F710F654-A706 HydrophobicContact CD1-CB 4.03Å; F654-A706 HydrophobicContact CD2-CB 4.09Å; F654-A706 HydrophobicContact CE1-CB 4.16Å; F654-A706 HydrophobicContact CE2-CB 4.24Å; F654-A706 HydrophobicContact CG-CB 4.02Å; F654-A706 HydrophobicContact CZ-CB 4.28Å; L677-A706 HydrophobicContact CD1-CB 4.21Å; L677-A706 HydrophobicContact CD2-CB 3.44Å; L677-A706 VanDerWaalsContact CD2-CB 3.44Å; V702-A706 PolarHBondContact O-N 2.9Å; L703-A706 PolarHBondContact O-N 3.09Å; L703-A706 VanDerWaalsContact O-N 3.1Å; A706-G708 PolarHBondContact O-N 3.09Å; A706-G709 PolarHBondContact O-N 3.45Å; A706-F710 HydrophobicContact CB-CD1 4.21Å; A706-F710 HydrophobicContact CB-CE1 3.55Å; A706-F710 HydrophobicContact CB-CE2 4.5Å; A706-F710 HydrophobicContact CB-CZ 3.73Å
707F83.4Confident78.3Confident18 Ų1847.3 Ų47.38%0.07927%0.274CS..THydrogen-bonded Turntrans-67.1-13.2173.2-84.3-44.5000114.8F654 F658 L703 D704 K793F654-F707 AromaticContact CD1-CD1 3.64Å; F654-F707 HydrophobicContact CD1-CD1 3.64Å; F654-F707 AromaticContact CD1-CE1 3.77Å; F654-F707 HydrophobicContact CD1-CE1 3.77Å; F654-F707 HydrophobicContact CD1-CG 4.19Å; F654-F707 HydrophobicContact CD1-CZ 4.43Å; F654-F707 AromaticContact CE1-CD1 3.86Å; F654-F707 HydrophobicContact CE1-CD1 3.86Å; F654-F707 HydrophobicContact CE1-CD2 4.3Å; F654-F707 AromaticContact CE1-CE1 3.72Å; F654-F707 HydrophobicContact CE1-CE1 3.72Å; F654-F707 HydrophobicContact CE1-CE2 4.18Å; F654-F707 HydrophobicContact CE1-CG 4.16Å; F654-F707 AromaticContact CE1-CZ 3.92Å; F654-F707 HydrophobicContact CE1-CZ 3.92Å; F658-F707 HydrophobicContact CB-CE1 4.44Å; F658-F707 HydrophobicContact CD1-CE1 4.01Å; F658-F707 HydrophobicContact CD1-CE2 4.41Å; F658-F707 AromaticContact CD1-CZ 3.42Å; F658-F707 HydrophobicContact CD1-CZ 3.42Å; F658-F707 VanDerWaalsContact CD1-CZ 3.42Å; F658-F707 HydrophobicContact CE1-CE2 4.23Å; F658-F707 AromaticContact CE1-CZ 3.6Å; F658-F707 HydrophobicContact CE1-CZ 3.6Å; F658-F707 HydrophobicContact CG-CE1 4.34Å; F658-F707 AromaticContact CG-CZ 3.99Å; F658-F707 HydrophobicContact CG-CZ 3.99Å; F658-F707 HydrophobicContact CZ-CZ 4.3Å; L703-F707 HydrophobicContact CB-CD2 4.15Å; L703-F707 HydrophobicContact CB-CE2 4.36Å; L703-F707 HydrophobicContact CD2-CE2 4.44Å; L703-F707 VanDerWaalsContact O-CB 3.22Å; L703-F707 WeakPolarHBondContact O-CB 3.27Å; L703-F707 WeakPolarHBondContact O-CD2 3.45Å; L703-F707 PolarHBondContact O-N 3.12Å; D704-F707 CarbonylContact O-C 3.54Å; F707-K793 HydrophobicContact CB-CD 4.22Å; F707-K793 HydrophobicContact CD1-CD 3.95Å; F707-K793 HydrophobicContact CD1-CG 3.99Å; F707-K793 HydrophobicContact CD2-CD 4.32Å; F707-K793 HydrophobicContact CE1-CD 4.3Å; F707-K793 HydrophobicContact CE1-CG 3.86Å; F707-K793 HydrophobicContact CG-CD 3.95Å; F707-K793 HydrophobicContact CG-CG 4.42Å; F707-K793 HydrophobicContact CZ-CG 4.15Å; F707-K793 PolarHBondContact O-NZ 3.27Å
708G77.6Confident79.3Confident48 Ų4843.2 Ų43.250%0.49526%0.255SS..THydrogen-bonded Turntrans-92.25.5167.900000113.5D704 W705 A706 Q711D704-G708 PolarHBondContact O-N 3.08Å; W705-G708 PolarHBondContact O-N 2.96Å; A706-G708 PolarHBondContact O-N 3.09Å; G708-Q711 WeakPolarHBondContact O-CG 3.28Å
709G81.5Confident79.8Confident27 Ų2746.7 Ų46.728%0.27827%0.267SS..THydrogen-bonded Turntrans81.531.4177.900000114.5W705 A706 Q711 G714W705-G709 PolarHBondContact O-N 3.2Å; A706-G709 PolarHBondContact O-N 3.45Å; G709-Q711 VanDerWaalsContact C-N 3.34Å; G709-Q711 PolarHBondContact O-N 3.18Å; G709-G714 WeakPolarHBondContact O-CA 3.41Å
710F88.4Confident79.9Confident0 Ų047.9 Ų47.90%028%0.275CS..SBendtrans62.133171.2-52.5-86.6000115F651 F654 L677 A680 W705 A706 T713 G714 L718F651-F710 HydrophobicContact CD1-CE1 4.39Å; F651-F710 AromaticContact CD1-CZ 3.99Å; F651-F710 HydrophobicContact CD1-CZ 3.99Å; F651-F710 AromaticContact CE1-CE1 3.93Å; F651-F710 HydrophobicContact CE1-CE1 3.93Å; F651-F710 AromaticContact CE1-CZ 3.79Å; F651-F710 HydrophobicContact CE1-CZ 3.79Å; F654-F710 HydrophobicContact CB-CE2 3.92Å; F654-F710 HydrophobicContact CB-CZ 3.89Å; F654-F710 HydrophobicContact CD2-CZ 4.06Å; F654-F710 HydrophobicContact CG-CZ 4.2Å; L677-F710 HydrophobicContact CD2-CE1 3.86Å; L677-F710 HydrophobicContact CD2-CZ 4.35Å; A680-F710 HydrophobicContact CB-CE1 4.21Å; W705-F710 HydrophobicContact CE3-CD1 4.29Å; W705-F710 AromaticContact CH2-CD1 3.69Å; W705-F710 HydrophobicContact CH2-CD1 3.69Å; W705-F710 HydrophobicContact CZ2-CB 4.01Å; W705-F710 AromaticContact CZ2-CD1 4Å; W705-F710 HydrophobicContact CZ2-CD1 4Å; W705-F710 AromaticContact CZ3-CD1 3.85Å; W705-F710 HydrophobicContact CZ3-CD1 3.85Å; W705-F710 HydrophobicContact CZ3-CE1 4.32Å; W705-F710 PolarHBondContact O-N 2.84Å; W705-F710 VanDerWaalsContact O-N 3.13Å; A706-F710 HydrophobicContact CB-CD1 4.21Å; A706-F710 HydrophobicContact CB-CE1 3.55Å; A706-F710 HydrophobicContact CB-CE2 4.5Å; A706-F710 HydrophobicContact CB-CZ 3.73Å; F710-T713 PolarHBondContact O-N 2.9Å; F710-T713 PolarHBondContact O-OG1 2.87Å; F710-G714 PolarHBondContact O-N 2.77Å; F710-L718 HydrophobicContact CD1-CD1 4.46Å; F710-L718 HydrophobicContact CD1-CD2 3.81Å; F710-L718 HydrophobicContact CD2-CD1 3.89Å; F710-L718 HydrophobicContact CE1-CD2 4.03Å; F710-L718 HydrophobicContact CE2-CD1 3.97Å; F710-L718 HydrophobicContact CG-CD1 4.14Å; F710-L718 HydrophobicContact CG-CD2 4.14Å; F710-L718 HydrophobicContact CG-CG 4.39Å; F710-L718 HydrophobicContact CZ-CD1 4.27Å
711Q79.4Confident79.2Confident112 Ų11248.4 Ų48.452%0.52328%0.278SS..THydrogen-bonded Turntrans-66.1143.4-179.4-65.2-63.2-21.600113W705 G708 G709W705-Q711 VanDerWaalsContact CD1-O 3.31Å; W705-Q711 PolarHBondContact NE1-O 2.86Å; G708-Q711 WeakPolarHBondContact O-CG 3.28Å; G709-Q711 VanDerWaalsContact C-N 3.34Å; G709-Q711 PolarHBondContact O-N 3.18Å
712P70.1Confident77.8Confident110 Ų11054.4 Ų54.471%0.71431%0.305SS*.THydrogen-bonded Turncis-92.1-10.313.736.3-37.1000115.2G714P712-G714 VanDerWaalsContact C-N 3.33Å
713T77.5Confident75.9Confident57 Ų5761.5 Ų61.535%0.3534%0.343SS..THydrogen-bonded Turntrans-78.6-18.4-177.950.80000113.5C684 F710C684-T713 WeakPolarHBondContact CB-OG1 3.42Å; C684-T713 PolarHBondContact SG-OG1 3.47Å; F710-T713 PolarHBondContact O-N 2.9Å; F710-T713 PolarHBondContact O-OG1 2.87Å
714G77.9Confident73.8Confident6 Ų667.4 Ų67.46%0.06237%0.366CS..G310 helixtrans63.3-161.9-175.700000113.1G709 F710 P712 D716 G717G709-G714 WeakPolarHBondContact O-CA 3.41Å; F710-G714 PolarHBondContact O-N 2.77Å; P712-G714 VanDerWaalsContact C-N 3.33Å; G714-D716 PolarHBondContact O-N 2.86Å; G714-G717 PolarHBondContact O-N 2.89Å; G714-G717 VanDerWaalsContact O-N 3.15Å
715P77.6Confident71.6Confident72 Ų7268.6 Ų68.647%0.46838%0.38SS..G310 helixtrans-53.6-32.4174.8-29.437.7000114.6A652 G717 L718A652-P715 HydrophobicContact CB-CB 3.73Å; A652-P715 HydrophobicContact CB-CG 4.06Å; P715-G717 PolarHBondContact O-N 2.94Å; P715-L718 WeakPolarHBondContact O-CB 3.23Å; P715-L718 PolarHBondContact O-N 2.9Å; P715-L718 VanDerWaalsContact O-N 3.14Å
716D75Confident69.1Low104 Ų10472.3 Ų72.356%0.55640%0.404SS*.G310 helixtrans-64.1-28.3-179.8-71.6-72.6000113.1G714 L718 K719G714-D716 PolarHBondContact O-N 2.86Å; D716-L718 PolarHBondContact O-N 2.96Å; D716-K719 WeakPolarHBondContact O-CB 3.1Å; D716-K719 PolarHBondContact O-N 3.42Å; D716-K719 WeakPolarHBondContact OD1-CE 3.33Å; D716-K719 IonicContact OD1-NZ 2.97Å; D716-K719 PolarHBondContact OD1-NZ 3.46Å
717G78.1Confident66.3Low14 Ų1475.9 Ų75.914%0.14443%0.428CS..G310 helixtrans-70-11.6175.400000115.1R683 C684 G714 P715R683-G717 CarbonylContact C-O 3.51Å; R683-G717 VanDerWaalsContact CB-O 3.28Å; R683-G717 WeakPolarHBondContact CB-O 3.39Å; C684-G717 PolarHBondContact N-O 2.99Å; C684-G717 VanDerWaalsContact SG-C 3.53Å; C684-G717 PolarHBondContact SG-O 3.48Å; G714-G717 PolarHBondContact O-N 2.89Å; G714-G717 VanDerWaalsContact O-N 3.15Å; P715-G717 PolarHBondContact O-N 2.94Å
718L82.5Confident64Low10 Ų1077.9 Ų77.95%0.05244%0.442CS..G310 helixtrans-85.7-12.6178.8-59.4172.9000113.2L602 F651 A652 A680 R683 F710 P715 D716L602-L718 HydrophobicContact CD1-CD2 4.44Å; F651-L718 HydrophobicContact CD1-CD1 4.19Å; F651-L718 HydrophobicContact CD1-CD2 4.34Å; A652-L718 HydrophobicContact CB-CD1 3.86Å; A680-L718 HydrophobicContact CB-CD2 3.55Å; R683-L718 WeakPolarHBondContact CD-O 3.3Å; R683-L718 PolarHBondContact NH1-O 3.29Å; F710-L718 HydrophobicContact CD1-CD1 4.46Å; F710-L718 HydrophobicContact CD1-CD2 3.81Å; F710-L718 HydrophobicContact CD2-CD1 3.89Å; F710-L718 HydrophobicContact CE1-CD2 4.03Å; F710-L718 HydrophobicContact CE2-CD1 3.97Å; F710-L718 HydrophobicContact CG-CD1 4.14Å; F710-L718 HydrophobicContact CG-CD2 4.14Å; F710-L718 HydrophobicContact CG-CG 4.39Å; F710-L718 HydrophobicContact CZ-CD1 4.27Å; P715-L718 WeakPolarHBondContact O-CB 3.23Å; P715-L718 PolarHBondContact O-N 2.9Å; P715-L718 VanDerWaalsContact O-N 3.14Å; D716-L718 PolarHBondContact O-N 2.96Å
719K78.1Confident61.7Low119 Ų11979.6 Ų79.652%0.51744%0.436SS..SBendtrans-60.7143.9-179.2-71.7171.4173.7169.40110.8D716 K721D716-K719 WeakPolarHBondContact O-CB 3.1Å; D716-K719 PolarHBondContact O-N 3.42Å; D716-K719 WeakPolarHBondContact OD1-CE 3.33Å; D716-K719 IonicContact OD1-NZ 2.97Å; D716-K719 PolarHBondContact OD1-NZ 3.46Å; K719-K721 PolarHBondContact O-N 3.13Å
720P73.2Confident59.4Low39 Ų3985.7 Ų85.725%0.25346%0.457SS..PPolyproline II helixtrans-62.2129.2177.525.2-32.8000110.4K599K599-P720 WeakPolarHBondContact O-CG 3.49Å
721K63.8Low56.5Low100 Ų10090.8 Ų90.844%0.43549%0.488SS..PPolyproline II helixtrans-71.8139.2169.5-68.2173.4-177.7167.40108M682 R683 K719 D723 Y724M682-K721 PolarHBondContact O-NZ 2.73Å; R683-K721 WeakPolarHBondContact O-CE 3.41Å; R683-K721 PolarHBondContact O-NZ 3.48Å; K719-K721 PolarHBondContact O-N 3.13Å; K721-D723 VanDerWaalsContact C-N 3.27Å; K721-D723 PolarHBondContact O-N 3.06Å; K721-D723 VanDerWaalsContact O-N 3.11Å; K721-Y724 HydrophobicContact CB-CD2 4.07Å; K721-Y724 HydrophobicContact CB-CE2 4.05Å
722Q47.1Very low54.3Low199 Ų19990.9 Ų90.993%0.9349%0.492SS*.SBendtrans-66-20.5-158.1-92176.6-39.300116.1
723D43.5Very low52.2Low157 Ų15792.2 Ų92.284%0.8449%0.492SS*.  trans-112.588.8173.9-68.5-63.8000111.5K721K721-D723 VanDerWaalsContact C-N 3.27Å; K721-D723 PolarHBondContact O-N 3.06Å; K721-D723 VanDerWaalsContact O-N 3.11Å
724Y38.9Very low49.8Very low129 Ų12997.8 Ų97.851%0.50651%0.512SS..  trans-131.8113.6170.9-101.1-93.2000112.1K721 V728K721-Y724 HydrophobicContact CB-CD2 4.07Å; K721-Y724 HydrophobicContact CB-CE2 4.05Å; Y724-V728 HydrophobicContact CD1-CG2 4.47Å; Y724-V728 HydrophobicContact CE1-CG2 4.31Å
725S34.8Very low47.3Very low97 Ų97106.6 Ų106.668%0.67855%0.551SS**  trans-78.1140165.8-1780000110.3C727S725-C727 PolarHBondContact O-N 3.16Å
726V36.1Very low44.7Very low97 Ų97109.7 Ų109.759%0.58857%0.568SS**SBendtrans-82.761.8-177.6-167.70000110.1
727C28.5Very low42.5Very low78 Ų78111 Ų11153%0.52758%0.583SS.*  trans-130.510.1-175.9-146.10000113.6S725S725-C727 PolarHBondContact O-N 3.16Å
728V34.1Very low39.9Very low61 Ų61114 Ų11437%0.3761%0.614SS.*G310 helixtrans-76.6-24.3-174.8-176.50000112.9Y724 Q730 V731 L732Y724-V728 HydrophobicContact CD1-CG2 4.47Å; Y724-V728 HydrophobicContact CE1-CG2 4.31Å; V728-Q730 PolarHBondContact O-N 2.86Å; V728-V731 PolarHBondContact O-N 2.64Å; V728-V731 VanDerWaalsContact O-N 3.14Å; V728-L732 HydrophobicContact CG1-CD1 4.37Å
729F30.5Very low37.1Very low84 Ų84123.1 Ų123.137%0.36866%0.656SS.*G310 helixtrans-60.1-12.9-177-85.6-66.9000115.8E633 Y635E633-F729 WeakPolarHBondContact OE1-CE2 3.49Å; E633-F729 WeakPolarHBondContact OE2-CE2 3.4Å; Y635-F729 HydrophobicContact CE1-CZ 4.42Å
730Q32Very low34.6Very low155 Ų155128.7 Ų128.772%0.72467%0.674SS**G310 helixtrans-97.3-14178.6-73.1-178-28.600114.8V728V728-Q730 PolarHBondContact O-N 2.86Å
731V28.9Very low32.2Very low106 Ų106134.9 Ų134.964%0.64270%0.704SS**THydrogen-bonded Turntrans-92.7-38.8-169.4-176.60000113V728 L733V728-V731 PolarHBondContact O-N 2.64Å; V728-V731 VanDerWaalsContact O-N 3.14Å; V731-L733 PolarHBondContact O-N 2.64Å; V731-L733 VanDerWaalsContact O-N 3.08Å
732L31.6Very low30.1Very low115 Ų115134.6 Ų134.660%0.60271%0.714SS**THydrogen-bonded Turntrans-72.2-0.9-171.4-77.9164.9000115.7V728V728-L732 HydrophobicContact CG1-CD1 4.37Å
733L25.9Very low28.9Very low138 Ų138131.2 Ų131.272%0.72371%0.711SS**THydrogen-bonded Turntrans-1098.1-176.5-85.8164.4000114.7V731V731-L733 PolarHBondContact O-N 2.64Å; V731-L733 VanDerWaalsContact O-N 3.08Å
734K27Very low27.8Very low174 Ų174128.1 Ų128.176%0.75771%0.708SS**  trans-11950.1-176-78.3-166173.5-174.50115.2
735H26.1Very low27.5Very low191 Ų191127.1 Ų127.188%0.88472%0.717SS**  trans-145.4114.9162.1-82.3-60.7000113.8
736T23.5Very low26.9Very low136 Ų136133.5 Ų133.583%0.83473%0.726SS**  trans-114.1137.3163.2-11.60000107.5
737P28.3Very low26.3Very low133 Ų133136 Ų13686%0.86474%0.736SS**  trans-83.6131-171.231.6-34000112.2
738G23.3Very low27.2Very low77 Ų77137.8 Ų137.879%0.79475%0.747SS**  trans-173.520.7-173.700000120.7
739Q25.3Very low27.3Very low200 Ų200140.1 Ų140.194%0.93576%0.763SS**  trans-149.7154166.8-110.1166.116.800111.8
740R25.4Very low27.3Very low236 Ų236141.7 Ų141.789%0.89178%0.784SS**  trans-119.4173.9-176.5-89.2-172.6174-174.10.1110.8
741L21.8Very low27.1Very low170 Ų170139.6 Ų139.689%0.8979%0.787SS**  trans86142.5178.6-53.8163000113.5
742S20.8Very low27Very low94 Ų94139 Ų13966%0.65779%0.787SS**  cis-167.4149.3-17.147.10000111.2
743C20.1Very low26.9Very low128 Ų128142.4 Ų142.487%0.86580%0.797SS**  trans50.3128.7151.5-60.70000121.5
744A21.6Very low26.9Very low92 Ų92141 Ų14176%0.7680%0.795SS**  trans-67.8177153.600000110.6
745P32.9Very low26.9Very low107 Ų107140.3 Ų140.370%0.69580%0.799SS**  cis-147.8-171.218.933-6.8000118
746R21.9Very low26.8Very low231 Ų231134.5 Ų134.587%0.87279%0.791SS**  trans114.9114.7146-59.4-171.6-173.1-159.91.2119.1
747D22.8Very low26.9Very low151 Ų151136.8 Ų136.881%0.80779%0.792SS**  trans-76.1-171.1151.2-39-97.3000111.9
748P48Very low26.7Very low115 Ų115137 Ų13775%0.74779%0.791SS**  cis-122.8-155.9-42.229.1-7.2000109.8
749P36.3Very low26.8Very low109 Ų109137.4 Ų137.471%0.70880%0.795SS**  -155.5138.38637.7-17.4000118.3
750S30.5Very low26.7Very low117 Ų117134.1 Ų134.182%0.81879%0.794SS**  trans58.8153.8142.778.60000120.5
751S27.8Very low26.6Very low112 Ų112126.8 Ų126.878%0.78379%0.793SS**  cis-155.2174.412.474.20000109.4
752S26.9Very low26.7Very low92 Ų92124.5 Ų124.564%0.64379%0.79SS**  cis-159.8151.69.574.70000112.7
753K28.8Very low26.9Very low188 Ų188125.2 Ų125.282%0.81780%0.802SS**  trans56.6144.7145.1-65.4-178.1177.9-179.60120.7
754T26.2Very low27.1Very low109 Ų109122.5 Ų122.567%0.66980%0.796SS**  cis-166152.8-613.30000111.6
755N25.8Very low27.3Very low159 Ų159127.7 Ų127.785%0.8580%0.801SS**  trans65.2144.4157.4-53.4-2000118.5
756G24.5Very low26.9Very low69 Ų69133.9 Ų133.971%0.71181%0.811SS**  cis177.9160.8-7.500000113.5
757E25.9Very low27Very low183 Ų183128.4 Ų128.486%0.85581%0.807SS**  trans55.1100.4156.3-72.5173.2-178.500120
758T24.7Very low27.1Very low139 Ų139130.6 Ų130.685%0.85381%0.81SS**  71.2129.791.857.50000117.4
759G25.4Very low27.1Very low85 Ų85130.8 Ų130.888%0.87681%0.811SS**  trans166.8129.7163.400000114.5
760S22.9Very low27.4Very low130 Ų130131.1 Ų131.191%0.90981%0.813SS**  trans-117.5153.5169.559.60000109.8
761G23.1Very low27.4Very low83 Ų83131.7 Ų131.786%0.85681%0.812SS**  trans165.5118.2174.700000117.2
762S24.1Very low28.1Very low121 Ų121131.8 Ų131.885%0.84681%0.81SS**  trans-72.1153.4177.6-50.80000115.8
763A24.4Very low28.1Very low110 Ų110138.4 Ų138.491%0.90982%0.822SS**  trans65.4158156.500000119.1
764G23.9Very low28.1Very low70 Ų70135 Ų13572%0.72282%0.823SS**  cis164.7148.6-1500000115.9
765K26.4Very low28Very low201 Ų201133.3 Ų133.387%0.87483%0.827SS**  trans71.8137.9164.1-68.8175.4177.1168.70121.3
766R24.6Very low28Very low238 Ų238135.4 Ų135.490%0.89883%0.828SS**  trans73.2151.2153.9-73172.8175.3178.9-3.4117.5
767S23.6Very low28.1Very low115 Ų115140.7 Ų140.780%0.80483%0.834SS**  cis-159.7164.3-3.831.90000115.6
768K24.7Very low28Very low198 Ų198135.3 Ų135.386%0.86183%0.828SS**  trans-59.3-180171.3-81.2-177.4176.4-176.70117
769P47.9Very low28Very low118 Ų118139 Ų13977%0.76683%0.832SS**  cis-117.5-112.3-12.833.5-11.4000111.2
770P43.3Very low28Very low117 Ų117147 Ų14776%0.7684%0.836SS**  cis-113.7-154.1-7.143.7-28.5000114.5
771T29.7Very low28.1Very low129 Ų129150.6 Ų150.679%0.79184%0.835SS**  trans-155.7163.2-179.253.80000111.7
772P43.1Very low28.2Very low113 Ų113157.6 Ų157.673%0.73484%0.836SS**  -156.7145.3115.634.4-14.3000119.6
773Y27.6Very low28Very low231 Ų231156.9 Ų156.991%0.90683%0.831SS**  trans52.1154.8141.2-76.5-83.3000123.1
774S28.5Very low28Very low118 Ų118161.7 Ų161.783%0.82583%0.827SS**  cis-156.8168.4-1.263.40000113.1
775G24.3Very low28Very low73 Ų73164.2 Ų164.275%0.75383%0.828SS**  trans158.6141.9163.500000116.3
776K26Very low27.8Very low202 Ų202163.8 Ų163.888%0.87883%0.827SS**  trans-131.4170.9175.2-58.6178.7178.81720109
777Q25.4Very low27.7Very low180 Ų180163.3 Ų163.384%0.84183%0.826SS**  cis-162.4144.217.9-158.2170.27.800113.1
778G23.4Very low27.7Very low70 Ų70163.4 Ų163.472%0.72282%0.822SS**  trans80.5107.6138.100000122.9
779K25Very low27.6Very low216 Ų216162.5 Ų162.594%0.93982%0.818SS**  -172.1157.6127.6-104.3163.7-174.5175.20111.6
780R26.4Very low26.4Very low253 Ų253163 Ų16396%0.95582%0.82SS**  trans-62.6137.8-174.1-72.4172.8167.2161.4-6.6112.5
781K24Very low25.5Very low207 Ų207163.9 Ų163.990%0.981%0.809SS**  trans-115.8127.8159.3-78.1-172.4174.8-1780109.9
782R24.9Very low25.4Very low230 Ų230163.9 Ų163.987%0.86880%0.804SS**  trans-73.7140.4158.5-81177164.8163.5-7108
783S21.9Very low24.6Very low106 Ų106163 Ų16374%0.74179%0.789SS**  trans-82.2128.5165.1-170.20000109
784Y22.5Very low24.8Very low211 Ų211156.8 Ų156.883%0.82777%0.774SS**  trans-109.9100.7162.8-105.3-84.6000106.9
785T24.3Very low24.7Very low122 Ų122155.4 Ų155.475%0.74876%0.758SS**  trans-68.5128.4170.514.70000109.2Y787T785-Y787 PolarHBondContact O-N 2.8Å
786K22.7Very low24.8Very low193 Ų193157.4 Ų157.484%0.83976%0.755SS**  trans-91.5101.8-166.6-168.8179.2-175.2-178.10110.5T788K786-T788 PolarHBondContact O-N 3.23Å
787Y22.1Very low24.8Very low227 Ų227152.9 Ų152.989%0.8974%0.744SS**  trans-57.1121.7171.8-88.1-94.9000111T785T785-Y787 PolarHBondContact O-N 2.8Å
788T23.2Very low25.2Very low117 Ų117148.3 Ų148.372%0.71873%0.732SS**  trans-106.8102.216845.50000109.3K786 T790K786-T788 PolarHBondContact O-N 3.23Å; T788-T790 PolarHBondContact O-N 3.43Å
789K23.8Very low25.7Very low179 Ų179147.7 Ų147.778%0.77873%0.726SS**PPolyproline II helixtrans-62.3127.8170.9-73.6-169.6172.6-169.70110
790T23.1Very low27Very low130 Ų130143.1 Ų143.180%0.79872%0.716SS**PPolyproline II helixtrans-95.2131.8168.5-51.30000108.6T788T788-T790 PolarHBondContact O-N 3.43Å
791Y22.5Very low28.8Very low135 Ų135133.1 Ų133.153%0.52968%0.678SS.*PPolyproline II helixtrans-91.4144.4175.4-79.5-103.5000110.1S655 Q656S655-Y791 VanDerWaalsContact O-CB 3.32Å; S655-Y791 WeakPolarHBondContact O-CB 3.41Å; Q656-Y791 HydrophobicContact CB-CD2 4.44Å; Q656-Y791 HydrophobicContact CG-CD2 3.99Å; Q656-Y791 HydrophobicContact CG-CE2 4.32Å
792N28.3Very low30.9Very low129 Ų129128.9 Ų128.969%0.6967%0.67SS**PPolyproline II helixtrans-72.4129.6-172.3-74.3-16.3000112.5
793K25.6Very low33Very low95 Ų95121.1 Ų121.141%0.41364%0.644SS.*PPolyproline II helixtrans-91125.6170.1-61.8173.6-176.1172.50109.4F707 N795F707-K793 HydrophobicContact CB-CD 4.22Å; F707-K793 HydrophobicContact CD1-CD 3.95Å; F707-K793 HydrophobicContact CD1-CG 3.99Å; F707-K793 HydrophobicContact CD2-CD 4.32Å; F707-K793 HydrophobicContact CE1-CD 4.3Å; F707-K793 HydrophobicContact CE1-CG 3.86Å; F707-K793 HydrophobicContact CG-CD 3.95Å; F707-K793 HydrophobicContact CG-CG 4.42Å; F707-K793 HydrophobicContact CZ-CG 4.15Å; F707-K793 PolarHBondContact O-NZ 3.27Å; K793-N795 PolarHBondContact O-N 3.06Å
794V32.3Very low35.8Very low100 Ų100117.4 Ų117.461%0.60662%0.617SS**SBendtrans-79.980.4158.9-172.70000108.1A660A660-V794 HydrophobicContact CB-CB 3.62Å; A660-V794 HydrophobicContact CB-CG2 3.57Å
795N25.7Very low38.8Very low89 Ų89112 Ų11248%0.47660%0.603SS.*  trans-165.671.3155.8-111.3-3.7000108.8K793K793-N795 PolarHBondContact O-N 3.06Å
796V27.6Very low41.8Very low115 Ų115107.3 Ų107.370%0.69757%0.572SS**  trans-101.498.7164.2178.80000106.9S798V796-S798 PolarHBondContact O-N 3.21Å
797T26.6Very low45Very low107 Ų107105 Ų10566%0.65656%0.562SS**  trans-53.2120.9151.242.20000106.7G799T797-G799 PolarHBondContact O-N 3.22Å
798S32.8Very low48.2Very low83 Ų8399 Ų9958%0.5854%0.544SS*.  trans-30.499.4-167.8-1790000112.2V796 V800V796-S798 PolarHBondContact O-N 3.21Å; S798-V800 VanDerWaalsContact C-N 3.27Å; S798-V800 PolarHBondContact O-N 2.9Å
799G35Very low51.5Low58 Ų5893.4 Ų93.460%0.59851%0.51SS*.  trans-78.887.8178.100000106.3T797 Y801T797-G799 PolarHBondContact O-N 3.22Å; G799-Y801 PolarHBondContact O-N 2.94Å
800V51.8Low54.8Low119 Ų11988.6 Ų88.672%0.72149%0.491SS*.  trans-37.2115.1-178.2178.50000108.8S798 T802S798-V800 VanDerWaalsContact C-N 3.27Å; S798-V800 PolarHBondContact O-N 2.9Å; V800-T802 PolarHBondContact O-N 3.1Å
801Y63.9Low58.1Low43 Ų4388.3 Ų88.317%0.16948%0.478CS..  trans-61.8101.5-176.4178-90000108.3G799 C850 N853 Y875G799-Y801 PolarHBondContact O-N 2.94Å; Y801-C850 PolarHBondContact OH-SG 3.35Å; Y801-N853 WeakPolarHBondContact CB-OD1 3.18Å; Y801-N853 HydrophobicContact CD2-CB 3.49Å; Y801-N853 VanDerWaalsContact CD2-CB 3.49Å; Y801-N853 HydrophobicContact CE2-CB 3.74Å; Y801-N853 HydrophobicContact CG-CB 4.02Å; Y801-Y875 AromaticContact CD1-CD2 3.88Å; Y801-Y875 HydrophobicContact CD1-CD2 3.88Å; Y801-Y875 HydrophobicContact CE1-CD2 4.22Å; Y801-Y875 HydrophobicContact CE1-CG 4.43Å
802T67.5Low61.5Low119 Ų11982.8 Ų82.873%0.7346%0.458SS*.PPolyproline II helixtrans-78127.8177.635.50000108.6V800V800-T802 PolarHBondContact O-N 3.1Å
803Q70.3Confident64.6Low67 Ų6776.9 Ų76.931%0.31343%0.427SS..PPolyproline II helixtrans-54.2132.3-179.2-164.9-179.611.100110.1Q806 Y875 D894Q803-Q806 HydrophobicContact CG-CG 4.37Å; Q803-Y875 HydrophobicContact CB-CD1 3.86Å; Q803-Y875 HydrophobicContact CB-CE1 3.55Å; Q803-Y875 HydrophobicContact CB-CE2 4.39Å; Q803-Y875 HydrophobicContact CB-CG 4.45Å; Q803-Y875 VanDerWaalsContact CD-CD1 3.43Å; Q803-Y875 HydrophobicContact CG-CD1 3.48Å; Q803-Y875 VanDerWaalsContact CG-CD1 3.48Å; Q803-Y875 HydrophobicContact CG-CE1 3.58Å; Q803-Y875 HydrophobicContact CG-CG 4.23Å; Q803-D894 PolarHBondContact NE2-OD2 3.26Å
804P79.6Confident67.7Low27 Ų2775.6 Ų75.618%0.17542%0.424CS..PPolyproline II helixtrans-57.3154.1171.4-2534.4000111.9Q806 C830P804-Q806 PolarHBondContact O-N 3.21Å; P804-Q806 PolarHBondContact O-NE2 2.9Å; P804-C830 HydrophobicContact CB-CB 3.52Å; P804-C830 HydrophobicContact CG-CB 3.35Å
805D85Confident70.6Confident99 Ų9976 Ų7653%0.52942%0.42SS..  trans-61.1104.7170.2178.5-5.7000109.6K807 L808 R809D805-K807 VanDerWaalsContact C-N 3.25Å; D805-K807 PolarHBondContact O-N 3.16Å; D805-K807 WeakPolarHBondContact OD1-CA 2.92Å; D805-K807 WeakPolarHBondContact OD1-CB 3.27Å; D805-K807 PolarHBondContact OD1-N 2.96Å; D805-L808 HydrophobicContact CB-CB 3.91Å; D805-L808 WeakPolarHBondContact O-CB 3.34Å; D805-L808 PolarHBondContact O-N 3.15Å; D805-L808 VanDerWaalsContact O-N 3.17Å; D805-L808 PolarHBondContact OD1-N 2.81Å; D805-L808 VanDerWaalsContact OD1-N 3.14Å; D805-R809 PolarHBondContact O-N 3.41Å
806Q88.4Confident73.7Confident22 Ų2272.1 Ų72.110%0.10340%0.399CS..Hα-helixtrans-68-25.9-177.3-60.3-56.2-55.900111.9Q803 P804 R809 E810 D894 I898Q803-Q806 HydrophobicContact CG-CG 4.37Å; P804-Q806 PolarHBondContact O-N 3.21Å; P804-Q806 PolarHBondContact O-NE2 2.9Å; Q806-R809 PolarHBondContact O-N 3.04Å; Q806-E810 WeakPolarHBondContact O-CB 3.24Å; Q806-E810 PolarHBondContact O-N 3.11Å; Q806-D894 HydrophobicContact CG-CB 4.18Å; Q806-D894 WeakPolarHBondContact CG-OD1 3.35Å; Q806-I898 HydrophobicContact CB-CD1 4.01Å; Q806-I898 WeakPolarHBondContact O-CD1 3.44Å
807K89Confident76.6Confident146 Ų14671 Ų7164%0.63539%0.388SS*.Hα-helixtrans-76.6-25.2174.9-61.6179.9-180177.70112.2D805 K811D805-K807 VanDerWaalsContact C-N 3.25Å; D805-K807 PolarHBondContact O-N 3.16Å; D805-K807 WeakPolarHBondContact OD1-CA 2.92Å; D805-K807 WeakPolarHBondContact OD1-CB 3.27Å; D805-K807 PolarHBondContact OD1-N 2.96Å; K807-K811 VanDerWaalsContact O-CD 3.28Å; K807-K811 WeakPolarHBondContact O-CD 3.2Å; K807-K811 VanDerWaalsContact O-CG 3.23Å; K807-K811 WeakPolarHBondContact O-CG 3.3Å; K807-K811 PolarHBondContact O-N 3.35Å
808L89.6Confident79.7Confident99 Ų9972.2 Ų72.252%0.51839%0.391SS..Hα-helixtrans-74.5-47167.9-178.660000110.4D805 E810 K811 T812D805-L808 HydrophobicContact CB-CB 3.91Å; D805-L808 WeakPolarHBondContact O-CB 3.34Å; D805-L808 PolarHBondContact O-N 3.15Å; D805-L808 VanDerWaalsContact O-N 3.17Å; D805-L808 PolarHBondContact OD1-N 2.81Å; D805-L808 VanDerWaalsContact OD1-N 3.14Å; L808-E810 PolarHBondContact O-N 3.31Å; L808-K811 PolarHBondContact O-N 2.95Å; L808-T812 PolarHBondContact O-N 3.21Å; L808-T812 PolarHBondContact O-OG1 2.94Å
809R92.6Very high82.5Confident1 Ų173.9 Ų73.90%0.00439%0.393CS..Hα-helixtrans-55.4-48.9175.8-174.5-168.5-179.7-154.4-0.9111.9D805 Q806 K811 T812 I813 L828 C829 C895D805-R809 PolarHBondContact O-N 3.41Å; Q806-R809 PolarHBondContact O-N 3.04Å; R809-K811 PolarHBondContact O-N 2.83Å; R809-T812 PolarHBondContact O-N 2.74Å; R809-T812 VanDerWaalsContact O-N 3.15Å; R809-I813 WeakPolarHBondContact O-CG1 3.46Å; R809-I813 PolarHBondContact O-N 2.8Å; R809-L828 PolarHBondContact NE-O 2.99Å; R809-L828 PolarHBondContact NH2-O 3.43Å; R809-C829 WeakPolarHBondContact CD-O 3.43Å; R809-C829 PolarHBondContact NE-O 2.69Å; R809-C895 PolarHBondContact NH1-SG 3.19Å; R809-C895 VanDerWaalsContact NH1-SG 3.37Å; R809-C895 PolarHBondContact NH2-SG 2.71Å
810E93.8Very high85Confident77 Ų7776.5 Ų76.536%0.3640%0.402SS..Hα-helixtrans-53.9-52175.4-177.4-170.9-163.800111.7Q806 L808 T812 I813 N814 I898Q806-E810 WeakPolarHBondContact O-CB 3.24Å; Q806-E810 PolarHBondContact O-N 3.11Å; L808-E810 PolarHBondContact O-N 3.31Å; E810-T812 VanDerWaalsContact C-N 3.28Å; E810-T812 PolarHBondContact O-N 3.04Å; E810-I813 PolarHBondContact O-N 3.48Å; E810-N814 VanDerWaalsContact O-CG 3.31Å; E810-N814 PolarHBondContact O-N 2.94Å; E810-I898 HydrophobicContact CB-CD1 4.14Å; E810-I898 HydrophobicContact CB-CG1 4.03Å; E810-I898 HydrophobicContact CB-CG2 4.42Å; E810-I898 HydrophobicContact CG-CG1 4.35Å
811K92.8Very high86.9Confident125 Ų12574.4 Ų74.454%0.54339%0.386SS..Hα-helixtrans-60.1-37.2177.1-72.5168.7-171.6170.90112.5K807 L808 R809 Q815K807-K811 VanDerWaalsContact O-CD 3.28Å; K807-K811 WeakPolarHBondContact O-CD 3.2Å; K807-K811 VanDerWaalsContact O-CG 3.23Å; K807-K811 WeakPolarHBondContact O-CG 3.3Å; K807-K811 PolarHBondContact O-N 3.35Å; L808-K811 PolarHBondContact O-N 2.95Å; R809-K811 PolarHBondContact O-N 2.83Å; K811-Q815 WeakPolarHBondContact O-CB 3.39Å; K811-Q815 WeakPolarHBondContact O-CG 3.4Å; K811-Q815 PolarHBondContact O-N 2.77Å
812T92.8Very high88.3Confident18 Ų1877 Ų7711%0.1140%0.404CS..Hα-helixtrans-69.3-42.9176.4-61.50000112L808 R809 E810 Q815 I816 F826L808-T812 PolarHBondContact O-N 3.21Å; L808-T812 PolarHBondContact O-OG1 2.94Å; R809-T812 PolarHBondContact O-N 2.74Å; R809-T812 VanDerWaalsContact O-N 3.15Å; E810-T812 VanDerWaalsContact C-N 3.28Å; E810-T812 PolarHBondContact O-N 3.04Å; T812-Q815 PolarHBondContact O-N 2.96Å; T812-I816 HydrophobicContact CG2-CD1 3.98Å; T812-I816 WeakPolarHBondContact O-CD1 3.41Å; T812-I816 VanDerWaalsContact O-CG1 3.25Å; T812-I816 WeakPolarHBondContact O-CG1 3.31Å; T812-I816 PolarHBondContact O-N 3.08Å; T812-F826 HydrophobicContact CG2-CD1 3.52Å; T812-F826 HydrophobicContact CG2-CE1 3.54Å
813I93.2Very high89.5Confident5 Ų572.5 Ų72.53%0.02638%0.375CS..Hα-helixtrans-63.7-44.2176.4-65.8-67.2000110.8R809 E810 Q815 I816 L817 I823 I898 L899 A927R809-I813 WeakPolarHBondContact O-CG1 3.46Å; R809-I813 PolarHBondContact O-N 2.8Å; E810-I813 PolarHBondContact O-N 3.48Å; I813-Q815 PolarHBondContact O-N 3.22Å; I813-I816 HydrophobicContact CD1-CD1 4.3Å; I813-I816 WeakPolarHBondContact O-CB 3.44Å; I813-I816 PolarHBondContact O-N 2.81Å; I813-I816 VanDerWaalsContact O-N 3.13Å; I813-L817 HydrophobicContact CG2-CD1 4.4Å; I813-L817 WeakPolarHBondContact O-CG 3.47Å; I813-L817 PolarHBondContact O-N 3.2Å; I813-I823 HydrophobicContact CD1-CD1 4.39Å; I813-I898 HydrophobicContact CB-CG2 4.02Å; I813-I898 HydrophobicContact CG1-CG2 3.84Å; I813-I898 HydrophobicContact CG2-CG2 4.32Å; I813-L899 HydrophobicContact CD1-CD2 3.58Å; I813-L899 HydrophobicContact CG1-CD2 3.79Å; I813-L899 HydrophobicContact CG2-CD2 4.26Å; I813-A927 HydrophobicContact CG2-CB 3.83Å
814N92.2Very high90.7Very high68 Ų6871.3 Ų71.336%0.36437%0.369SS..Hα-helixtrans-61.2-43.2174.9-65.9-14.3000111.2E810 I816 L817 D818E810-N814 VanDerWaalsContact O-CG 3.31Å; E810-N814 PolarHBondContact O-N 2.94Å; N814-I816 VanDerWaalsContact C-N 3.3Å; N814-I816 PolarHBondContact O-N 3.34Å; N814-L817 PolarHBondContact O-N 2.89Å; N814-D818 WeakPolarHBondContact O-CB 3.46Å; N814-D818 PolarHBondContact O-N 3.29Å
815Q91.8Very high91.4Very high109 Ų10974.4 Ų74.451%0.50938%0.384SS..Hα-helixtrans-63.2-30.4174.1-77.1171.12.400114.1K811 T812 I813 L819K811-Q815 WeakPolarHBondContact O-CB 3.39Å; K811-Q815 WeakPolarHBondContact O-CG 3.4Å; K811-Q815 PolarHBondContact O-N 2.77Å; T812-Q815 PolarHBondContact O-N 2.96Å; I813-Q815 PolarHBondContact O-N 3.22Å; Q815-L819 VanDerWaalsContact O-CB 3.28Å; Q815-L819 WeakPolarHBondContact O-CB 3.3Å; Q815-L819 WeakPolarHBondContact O-CG 3.46Å; Q815-L819 PolarHBondContact O-N 3.1Å
816I91.6Very high92Very high7 Ų770.3 Ų70.34%0.03636%0.362CS..Hα-helixtrans-68.6-43.9174.5-72.2161.5000110T812 I813 N814 S820 L821 I823 F826T812-I816 HydrophobicContact CG2-CD1 3.98Å; T812-I816 WeakPolarHBondContact O-CD1 3.41Å; T812-I816 VanDerWaalsContact O-CG1 3.25Å; T812-I816 WeakPolarHBondContact O-CG1 3.31Å; T812-I816 PolarHBondContact O-N 3.08Å; I813-I816 HydrophobicContact CD1-CD1 4.3Å; I813-I816 WeakPolarHBondContact O-CB 3.44Å; I813-I816 PolarHBondContact O-N 2.81Å; I813-I816 VanDerWaalsContact O-N 3.13Å; N814-I816 VanDerWaalsContact C-N 3.3Å; N814-I816 PolarHBondContact O-N 3.34Å; I816-S820 WeakPolarHBondContact O-CA 3.32Å; I816-S820 PolarHBondContact O-N 2.93Å; I816-S820 VanDerWaalsContact O-N 3.08Å; I816-L821 HydrophobicContact CB-CB 4.46Å; I816-L821 HydrophobicContact CG1-CB 4.33Å; I816-L821 HydrophobicContact CG1-CD1 4.44Å; I816-L821 HydrophobicContact CG2-CB 4.31Å; I816-L821 WeakPolarHBondContact CG2-O 3.46Å; I816-L821 PolarHBondContact O-N 2.9Å; I816-I823 HydrophobicContact CG2-CB 4.23Å; I816-F826 HydrophobicContact CD1-CB 3.99Å; I816-F826 HydrophobicContact CD1-CD1 3.79Å; I816-F826 HydrophobicContact CD1-CD2 3.54Å; I816-F826 HydrophobicContact CD1-CE1 3.95Å; I816-F826 HydrophobicContact CD1-CE2 3.76Å; I816-F826 HydrophobicContact CD1-CG 3.54Å; I816-F826 HydrophobicContact CD1-CZ 3.92Å; I816-F826 HydrophobicContact CG1-CD1 4.41Å; I816-F826 HydrophobicContact CG1-CD2 3.94Å; I816-F826 HydrophobicContact CG1-CE1 4.08Å; I816-F826 HydrophobicContact CG1-CE2 3.61Å; I816-F826 HydrophobicContact CG1-CG 4.32Å; I816-F826 HydrophobicContact CG1-CZ 3.64Å
817L89.4Confident92.3Very high91 Ų9169.3 Ų69.348%0.47636%0.357SS..Hα-helixtrans-69-50177.6-64.5174.4000112.2I813 N814 L819 S820 A927I813-L817 HydrophobicContact CG2-CD1 4.4Å; I813-L817 WeakPolarHBondContact O-CG 3.47Å; I813-L817 PolarHBondContact O-N 3.2Å; N814-L817 PolarHBondContact O-N 2.89Å; L817-L819 PolarHBondContact O-N 2.65Å; L817-S820 PolarHBondContact O-N 2.82Å; L817-A927 HydrophobicContact CD1-CB 4.33Å; L817-A927 HydrophobicContact CD2-CB 4.19Å; L817-A927 HydrophobicContact CG-CB 4.5Å
818D91.6Very high92.5Very high133 Ų13362.5 Ų62.571%0.71133%0.328SS*.Hα-helixtrans-62-29.4-177.5-71.2-24.7000113.2N814N814-D818 WeakPolarHBondContact O-CB 3.46Å; N814-D818 PolarHBondContact O-N 3.29Å
819L90.3Very high92.6Very high118 Ų11857.9 Ų57.962%0.61830%0.304SS*.THydrogen-bonded Turntrans-110.86-176.4-56.3174.9000113.3Q815 L817 L821Q815-L819 VanDerWaalsContact O-CB 3.28Å; Q815-L819 WeakPolarHBondContact O-CB 3.3Å; Q815-L819 WeakPolarHBondContact O-CG 3.46Å; Q815-L819 PolarHBondContact O-N 3.1Å; L817-L819 PolarHBondContact O-N 2.65Å; L819-L821 VanDerWaalsContact C-N 3.29Å; L819-L821 HydrophobicContact CB-CD1 4.48Å; L819-L821 HydrophobicContact CB-CD2 4.17Å; L819-L821 HydrophobicContact CB-CG 3.99Å; L819-L821 PolarHBondContact O-N 2.87Å
820S88.5Confident92.5Very high113 Ų11359 Ų5979%0.7931%0.311SS*.THydrogen-bonded Turntrans48.545.9-176.7-59.90000113.7I816 L817I816-S820 WeakPolarHBondContact O-CA 3.32Å; I816-S820 PolarHBondContact O-N 2.93Å; I816-S820 VanDerWaalsContact O-N 3.08Å; L817-S820 PolarHBondContact O-N 2.82Å
821L91.5Very high92.4Very high75 Ų7555.9 Ų55.939%0.39330%0.3SS..  trans-78.7156.1175.5-53.5180000110.5I816 L819 I823 F826I816-L821 HydrophobicContact CB-CB 4.46Å; I816-L821 HydrophobicContact CG1-CB 4.33Å; I816-L821 HydrophobicContact CG1-CD1 4.44Å; I816-L821 HydrophobicContact CG2-CB 4.31Å; I816-L821 WeakPolarHBondContact CG2-O 3.46Å; I816-L821 PolarHBondContact O-N 2.9Å; L819-L821 VanDerWaalsContact C-N 3.29Å; L819-L821 HydrophobicContact CB-CD1 4.48Å; L819-L821 HydrophobicContact CB-CD2 4.17Å; L819-L821 HydrophobicContact CB-CG 3.99Å; L819-L821 PolarHBondContact O-N 2.87Å; L821-I823 PolarHBondContact O-N 3Å; L821-F826 HydrophobicContact CB-CE2 4.27Å; L821-F826 HydrophobicContact CD1-CE2 4.27Å; L821-F826 HydrophobicContact CD1-CZ 3.88Å
822D92.6Very high92.4Very high99 Ų9952.1 Ų52.153%0.52929%0.287SS..  trans-69.9131.1169.3-161.1-24.3000109.8E824 F826D822-E824 VanDerWaalsContact C-N 3.33Å; D822-E824 WeakPolarHBondContact OD1-CB 3.45Å; D822-E824 WeakPolarHBondContact OD1-CG 3.47Å; D822-E824 PolarHBondContact OD1-N 3.04Å; D822-F826 VanDerWaalsContact O-CD2 3.28Å; D822-F826 WeakPolarHBondContact O-CD2 3.36Å; D822-F826 WeakPolarHBondContact O-CE2 3.38Å
823I93.9Very high92.4Very high24 Ų2457.2 Ų57.212%0.12331%0.308CS..SBendtrans-75.8-23176.3-165.6167.5000111.7I813 I816 L821 D825 F826 L828 K843 G844 A927I813-I823 HydrophobicContact CD1-CD1 4.39Å; I816-I823 HydrophobicContact CG2-CB 4.23Å; L821-I823 PolarHBondContact O-N 3Å; I823-D825 PolarHBondContact O-N 3.21Å; I823-F826 PolarHBondContact O-N 3.18Å; I823-F826 VanDerWaalsContact O-N 3.1Å; I823-L828 HydrophobicContact CD1-CD1 3.92Å; I823-L828 HydrophobicContact CG1-CD1 4.49Å; I823-K843 HydrophobicContact CG2-CB 4.15Å; I823-G844 WeakPolarHBondContact O-CA 3.41Å; I823-A927 HydrophobicContact CD1-CB 4.21Å
824E94.8Very high92.4Very high42 Ų4264.4 Ų64.420%0.19634%0.341CS..THydrogen-bonded Turntrans-63-25.5176-60.2-68.4166.700112.6D822 F826 K843 G844 S845 R931D822-E824 VanDerWaalsContact C-N 3.33Å; D822-E824 WeakPolarHBondContact OD1-CB 3.45Å; D822-E824 WeakPolarHBondContact OD1-CG 3.47Å; D822-E824 PolarHBondContact OD1-N 3.04Å; E824-F826 PolarHBondContact O-N 3.47Å; E824-K843 WeakPolarHBondContact OE1-CA 3.21Å; E824-G844 VanDerWaalsContact CD-N 3.27Å; E824-G844 PolarHBondContact OE1-N 3.29Å; E824-G844 VanDerWaalsContact OE1-N 3.11Å; E824-G844 PolarHBondContact OE2-N 3.37Å; E824-S845 VanDerWaalsContact O-CB 3.22Å; E824-S845 WeakPolarHBondContact O-CB 3.42Å; E824-S845 PolarHBondContact O-OG 3.43Å; E824-R931 VanDerWaalsContact CD-NH2 3.29Å; E824-R931 IonicContact OE1-CZ 2.67Å; E824-R931 VanDerWaalsContact OE1-CZ 3.25Å; E824-R931 IonicContact OE1-NH1 2.91Å; E824-R931 PolarHBondContact OE1-NH1 3.46Å; E824-R931 IonicContact OE1-NH2 3.21Å; E824-R931 PolarHBondContact OE1-NH2 3.39Å; E824-R931 IonicContact OE2-CZ 3.83Å; E824-R931 IonicContact OE2-NH1 3.22Å; E824-R931 IonicContact OE2-NH2 2.9Å; E824-R931 PolarHBondContact OE2-NH2 3.24Å
825D95.3Very high92.6Very high92 Ų9264.6 Ų64.649%0.49234%0.342SS..THydrogen-bonded Turntrans-69.4-6.1174-94.7-3.1000113.8I823I823-D825 PolarHBondContact O-N 3.21Å
826F95.8Very high92.7Very high13 Ų1364 Ų646%0.05734%0.339CS..SBendtrans-131.1147.1-170.5-61.9-106.5000113.1T812 I816 L821 D822 I823 E824 L828 K833 S845T812-F826 HydrophobicContact CG2-CD1 3.52Å; T812-F826 HydrophobicContact CG2-CE1 3.54Å; I816-F826 HydrophobicContact CD1-CB 3.99Å; I816-F826 HydrophobicContact CD1-CD1 3.79Å; I816-F826 HydrophobicContact CD1-CD2 3.54Å; I816-F826 HydrophobicContact CD1-CE1 3.95Å; I816-F826 HydrophobicContact CD1-CE2 3.76Å; I816-F826 HydrophobicContact CD1-CG 3.54Å; I816-F826 HydrophobicContact CD1-CZ 3.92Å; I816-F826 HydrophobicContact CG1-CD1 4.41Å; I816-F826 HydrophobicContact CG1-CD2 3.94Å; I816-F826 HydrophobicContact CG1-CE1 4.08Å; I816-F826 HydrophobicContact CG1-CE2 3.61Å; I816-F826 HydrophobicContact CG1-CG 4.32Å; I816-F826 HydrophobicContact CG1-CZ 3.64Å; L821-F826 HydrophobicContact CB-CE2 4.27Å; L821-F826 HydrophobicContact CD1-CE2 4.27Å; L821-F826 HydrophobicContact CD1-CZ 3.88Å; D822-F826 VanDerWaalsContact O-CD2 3.28Å; D822-F826 WeakPolarHBondContact O-CD2 3.36Å; D822-F826 WeakPolarHBondContact O-CE2 3.38Å; I823-F826 PolarHBondContact O-N 3.18Å; I823-F826 VanDerWaalsContact O-N 3.1Å; E824-F826 PolarHBondContact O-N 3.47Å; F826-L828 PolarHBondContact O-N 3.25Å; F826-K833 HydrophobicContact CD1-CG 3.85Å; F826-K833 HydrophobicContact CE1-CD 4.21Å; F826-K833 HydrophobicContact CE1-CG 3.86Å; F826-K833 HydrophobicContact CZ-CD 4.45Å; F826-K833 HydrophobicContact CZ-CG 4.47Å; F826-S845 WeakPolarHBondContact O-CA 3.25Å; F826-S845 WeakPolarHBondContact O-CB 3.31Å; F826-S845 PolarHBondContact O-N 3.09Å
827C94.7Very high92.7Very high1 Ų166 Ų661%0.00735%0.349CS..BIsolated β-bridgetrans-73.1111.8172.7-177.70000111.3C829 C830 G831 T832 S845 C847C827-C829 PolarHBondContact O-N 2.89Å; C827-C829 VanDerWaalsContact O-N 3.09Å; C827-C830 PolarHBondContact O-N 3.03Å; C827-C830 VanDerWaalsContact O-N 3.11Å; C827-C830 PolarHBondContact SG-SG 3.26Å; C827-G831 PolarHBondContact O-N 3.15Å; C827-T832 HydrophobicContact CB-CG2 3.82Å; C827-T832 PolarHBondContact N-O 3.07Å; C827-S845 CarbonylContact C-O 3.54Å; C827-S845 VanDerWaalsContact CA-O 3.28Å; C827-S845 WeakPolarHBondContact CA-O 3.37Å; C827-C847 HydrophobicContact CB-CB 4.1Å; C827-C847 PolarHBondContact SG-N 3.08Å
828L93.4Very high93Very high3 Ų363.9 Ų63.92%0.01634%0.342CS..THydrogen-bonded Turntrans-57.8-28.4-176.8-168.565.7000113.1R809 I823 F826 F842 S845 I872 L899R809-L828 PolarHBondContact NE-O 2.99Å; R809-L828 PolarHBondContact NH2-O 3.43Å; I823-L828 HydrophobicContact CD1-CD1 3.92Å; I823-L828 HydrophobicContact CG1-CD1 4.49Å; F826-L828 PolarHBondContact O-N 3.25Å; L828-F842 HydrophobicContact CD2-CB 3.82Å; L828-S845 PolarHBondContact N-O 3.46Å; L828-I872 HydrophobicContact CD2-CG2 3.92Å; L828-I872 HydrophobicContact CG-CG2 4.22Å; L828-L899 HydrophobicContact CD1-CD1 3.89Å; L828-L899 HydrophobicContact CD1-CD2 3.8Å; L828-L899 HydrophobicContact CD2-CD1 4.47Å; L828-L899 HydrophobicContact CG-CD1 4.02Å
829C91.8Very high93.2Very high2 Ų257.5 Ų57.51%0.01431%0.308CS..THydrogen-bonded Turntrans-83.8-24.9-178.6-44.20000113.9R809 C827 L846 C850 I872 C873R809-C829 WeakPolarHBondContact CD-O 3.43Å; R809-C829 PolarHBondContact NE-O 2.69Å; C827-C829 PolarHBondContact O-N 2.89Å; C827-C829 VanDerWaalsContact O-N 3.09Å; C829-L846 WeakPolarHBondContact SG-CD2 3.45Å; C829-C850 HydrophobicContact CB-CB 4.09Å; C829-I872 PolarHBondContact SG-O 3.5Å; C829-C873 HydrophobicContact CB-CB 4.17Å
830C91.4Very high93.4Very high24 Ų2452 Ų5216%0.16228%0.279CS..THydrogen-bonded Turntrans-144.6-2.1-169.275.40000117.2P804 C827 T832 C847P804-C830 HydrophobicContact CB-CB 3.52Å; P804-C830 HydrophobicContact CG-CB 3.35Å; C827-C830 PolarHBondContact O-N 3.03Å; C827-C830 VanDerWaalsContact O-N 3.11Å; C827-C830 PolarHBondContact SG-SG 3.26Å; C830-T832 VanDerWaalsContact C-N 3.29Å; C830-T832 PolarHBondContact O-N 3.12Å; C830-T832 VanDerWaalsContact SG-CG2 3.59Å; C830-C847 VanDerWaalsContact SG-SG 3.64Å
831G91.3Very high93.7Very high12 Ų1246.7 Ų46.712%0.12424%0.242CC..  trans75.3-1176.900000116.5C827C827-G831 PolarHBondContact O-N 3.15Å
832T92.6Very high93.9Very high45 Ų4543.1 Ų43.128%0.27622%0.223SC..  trans-70.8147.7176.4-167.40000112.3C827 C830 E834 C847C827-T832 HydrophobicContact CB-CG2 3.82Å; C827-T832 PolarHBondContact N-O 3.07Å; C830-T832 VanDerWaalsContact C-N 3.29Å; C830-T832 PolarHBondContact O-N 3.12Å; C830-T832 VanDerWaalsContact SG-CG2 3.59Å; T832-E834 VanDerWaalsContact C-N 3.3Å; T832-E834 HydrophobicContact CG2-CB 4.14Å; T832-E834 PolarHBondContact OG1-N 3.32Å; T832-C847 HydrophobicContact CG2-CB 3.5Å
833K92.2Very high94Very high126 Ų12642.8 Ų42.855%0.54822%0.217SC..SBendtrans-83.7-0.9169.5-64.5-165.7170.5-150.60113.9F826 I835F826-K833 HydrophobicContact CD1-CG 3.85Å; F826-K833 HydrophobicContact CE1-CD 4.21Å; F826-K833 HydrophobicContact CE1-CG 3.86Å; F826-K833 HydrophobicContact CZ-CD 4.45Å; F826-K833 HydrophobicContact CZ-CG 4.47Å; K833-I835 VanDerWaalsContact O-CD1 3.27Å; K833-I835 WeakPolarHBondContact O-CD1 3.35Å; K833-I835 PolarHBondContact O-N 3.4Å
834E93.2Very high94.1Very high156 Ų15641.6 Ų41.673%0.72921%0.211SC*.  trans-82.168.8176.5-64-179157.300110.4T832 C847T832-E834 VanDerWaalsContact C-N 3.3Å; T832-E834 HydrophobicContact CG2-CB 4.14Å; T832-E834 PolarHBondContact OG1-N 3.32Å; E834-C847 VanDerWaalsContact O-CA 3.27Å; E834-C847 WeakPolarHBondContact O-CA 3.23Å; E834-C847 WeakPolarHBondContact O-CB 3.45Å
835I96Very high94.2Very high72 Ų7239.9 Ų39.937%0.36920%0.204SC..  trans-80.7151.2-178.370.8-69.5000112.9K833 S845K833-I835 VanDerWaalsContact O-CD1 3.27Å; K833-I835 WeakPolarHBondContact O-CD1 3.35Å; K833-I835 PolarHBondContact O-N 3.4Å; I835-S845 VanDerWaalsContact CG2-CB 3.45Å
836E94Very high94.2Very high97 Ų9735.5 Ų35.545%0.45318%0.18SC..  trans-131.5-38.4-17316471.9-164.600111.8L846 L848 K851E836-L846 PolarHBondContact N-O 2.88Å; E836-L848 HydrophobicContact CB-CB 4.42Å; E836-L848 HydrophobicContact CG-CB 4.3Å; E836-L848 HydrophobicContact CG-CD1 4.3Å; E836-K851 HydrophobicContact CG-CD 3.47Å; E836-K851 VanDerWaalsContact CG-CD 3.47Å; E836-K851 IonicContact OE1-NZ 3.54Å; E836-K851 PolarHBondContact OE1-NZ 3.3Å
837I93.3Very high94.1Very high47 Ų4735.4 Ų35.424%0.24118%0.181CC..EExtended strand (participates in β ladder)trans-144.4159.3168.560.4175000110.1S845 L846 K851 M941I837-S845 CarbonylContact O-C 3.41Å; I837-S845 WeakPolarHBondContact O-CA 3.06Å; I837-S845 WeakPolarHBondContact O-CB 3.49Å; I837-L846 HydrophobicContact CD1-CD1 4.12Å; I837-L846 HydrophobicContact CG1-CB 3.97Å; I837-L846 HydrophobicContact CG1-CD1 4.24Å; I837-L846 PolarHBondContact N-O 3.42Å; I837-L846 PolarHBondContact O-N 2.92Å; I837-K851 HydrophobicContact CD1-CB 4.25Å; I837-K851 HydrophobicContact CD1-CD 3.87Å; I837-K851 HydrophobicContact CD1-CG 3.8Å; I837-K851 HydrophobicContact CG1-CB 4.39Å; I837-K851 HydrophobicContact CG1-CD 4.05Å; I837-K851 HydrophobicContact CG1-CG 4.3Å; I837-K851 HydrophobicContact CG2-CD 4.17Å; I837-M941 HydrophobicContact CD1-CG 3.96Å; I837-M941 HydrophobicContact CD1-SD 4.04Å
838S95.6Very high94Very high47 Ų4737.8 Ų37.833%0.32919%0.194SC..EExtended strand (participates in β ladder)trans-60.8143.9161.7-65.50000110.7
839H95.4Very high94Very high0 Ų045.4 Ų45.40%023%0.226CC..  trans-66126.1172.2-171.7-65.7000108.8L841 F842 G844 L846 F854 I872 R931H839-L841 VanDerWaalsContact C-N 3.35Å; H839-L841 PolarHBondContact ND1-N 3.1Å; H839-L841 PolarHBondContact O-N 3.19Å; H839-F842 AromaticContact CE1-CD2 3.81Å; H839-G844 WeakPolarHBondContact CB-O 3.44Å; H839-G844 PolarHBondContact N-O 2.98Å; H839-L846 HydrophobicContact CB-CG 4.09Å; H839-F854 AromaticContact CE1-CE2 3.83Å; H839-F854 AromaticContact NE2-CE2 3.91Å; H839-I872 PolarHBondContact NE2-O 3.16Å; H839-R931 PolarHBondContact O-NE 3.02Å; H839-R931 PolarHBondContact O-NH2 3.49Å
840P93.8Very high94Very high3 Ų345.5 Ų45.52%0.01923%0.227CC..SBendtrans-68.6-31.6-168.223-32.3000113.6F854 W934 R937 V938 M941P840-F854 HydrophobicContact CG-CD1 4.35Å; P840-F854 HydrophobicContact CG-CE1 3.43Å; P840-F854 VanDerWaalsContact CG-CE1 3.43Å; P840-F854 HydrophobicContact CG-CZ 3.6Å; P840-W934 WeakPolarHBondContact O-CA 3.27Å; P840-R937 HydrophobicContact CB-CB 3.96Å; P840-V938 HydrophobicContact CB-CB 4.22Å; P840-M941 HydrophobicContact CG-SD 4Å
841L94.8Very high94Very high1 Ų146.7 Ų46.71%0.00523%0.229CC..SBendtrans-93.8-26.1-172.4-54.1179.7000115.9H839 F854 L858 T871 L918 R931 W934 V938H839-L841 VanDerWaalsContact C-N 3.35Å; H839-L841 PolarHBondContact ND1-N 3.1Å; H839-L841 PolarHBondContact O-N 3.19Å; L841-F854 HydrophobicContact CD1-CE2 4.47Å; L841-F854 HydrophobicContact CD1-CZ 3.99Å; L841-F854 HydrophobicContact CG-CZ 4.19Å; L841-L858 HydrophobicContact CD1-CD1 4.27Å; L841-T871 HydrophobicContact CD1-CG2 3.4Å; L841-T871 VanDerWaalsContact CD1-CG2 3.4Å; L841-L918 HydrophobicContact CB-CD1 4.35Å; L841-L918 HydrophobicContact CD1-CD1 4.24Å; L841-R931 PolarHBondContact O-N 2.73Å; L841-R931 VanDerWaalsContact O-N 3.12Å; L841-W934 HydrophobicContact CD2-CB 4.23Å; L841-W934 HydrophobicContact CD2-CD2 4.14Å; L841-W934 HydrophobicContact CD2-CE3 3.48Å; L841-W934 VanDerWaalsContact CD2-CE3 3.48Å; L841-W934 HydrophobicContact CD2-CZ3 4.19Å; L841-V938 HydrophobicContact CD2-CB 4.16Å; L841-V938 HydrophobicContact CD2-CG2 4.29Å
842F96Very high94Very high0 Ų050.2 Ų50.20%025%0.246CC..BIsolated β-bridgetrans-141.3156.6-170.7-62.2-82.3000109.7L828 H839 T871 I872 F891 L918 L928 V929 P930 R931L828-F842 HydrophobicContact CD2-CB 3.82Å; H839-F842 AromaticContact CE1-CD2 3.81Å; F842-T871 HydrophobicContact CE2-CG2 4.45Å; F842-I872 HydrophobicContact CD2-CG1 3.94Å; F842-I872 HydrophobicContact CE2-CD1 4.4Å; F842-I872 HydrophobicContact CE2-CG1 3.55Å; F842-I872 HydrophobicContact CZ-CG1 4.13Å; F842-F891 HydrophobicContact CE2-CE1 4.43Å; F842-F891 AromaticContact CZ-CE1 3.92Å; F842-F891 HydrophobicContact CZ-CE1 3.92Å; F842-F891 HydrophobicContact CZ-CZ 4.23Å; F842-L918 HydrophobicContact CE1-CD2 4.15Å; F842-L918 HydrophobicContact CE1-CG 4.17Å; F842-L918 HydrophobicContact CE2-CD1 4.07Å; F842-L918 HydrophobicContact CE2-CG 4.43Å; F842-L918 HydrophobicContact CZ-CD1 3.78Å; F842-L918 HydrophobicContact CZ-CD2 4.02Å; F842-L918 HydrophobicContact CZ-CG 3.7Å; F842-L928 HydrophobicContact CB-CD1 4.2Å; F842-L928 HydrophobicContact CD1-CD1 3.4Å; F842-L928 VanDerWaalsContact CD1-CD1 3.4Å; F842-L928 HydrophobicContact CD1-CG 3.83Å; F842-L928 HydrophobicContact CD2-CD1 4.26Å; F842-L928 HydrophobicContact CE1-CD1 3.77Å; F842-L928 HydrophobicContact CE1-CD2 4.14Å; F842-L928 HydrophobicContact CE1-CG 3.92Å; F842-L928 HydrophobicContact CG-CD1 3.7Å; F842-L928 HydrophobicContact CZ-CD1 4.35Å; F842-V929 CarbonylContact C-O 3.56Å; F842-V929 VanDerWaalsContact CA-O 3.26Å; F842-V929 WeakPolarHBondContact CA-O 3.4Å; F842-V929 WeakPolarHBondContact CB-O 3.07Å; F842-P930 HydrophobicContact CD1-CB 4.38Å; F842-P930 HydrophobicContact CD1-CG 4.35Å; F842-P930 HydrophobicContact CE1-CB 4.45Å; F842-P930 HydrophobicContact CE1-CG 4.2Å; F842-R931 VanDerWaalsContact O-CZ 3.24Å; F842-R931 PolarHBondContact O-NE 2.88Å; F842-R931 PolarHBondContact O-NH2 3.24Å
843K95.3Very high93.9Very high91 Ų9148.7 Ų48.740%0.39624%0.236SC..SBendtrans-62.6144.5172.4-63.8-168-178.1-177.70110.7I823 E824 V929 R931I823-K843 HydrophobicContact CG2-CB 4.15Å; E824-K843 WeakPolarHBondContact OE1-CA 3.21Å; K843-V929 HydrophobicContact CB-CB 4.19Å; K843-V929 HydrophobicContact CD-CB 4Å; K843-V929 HydrophobicContact CD-CG1 3.97Å; K843-V929 HydrophobicContact CG-CB 4.05Å; K843-V929 HydrophobicContact CG-CG1 4.32Å; K843-V929 PolarHBondContact N-O 2.7Å; K843-R931 HydrophobicContact CG-CG 4.41Å
844G94.9Very high93.8Very high0 Ų042.8 Ų42.80%021%0.21CC..SBendtrans104.8169.1-165.700000112.8I823 E824 H839 R931I823-G844 WeakPolarHBondContact O-CA 3.41Å; E824-G844 VanDerWaalsContact CD-N 3.27Å; E824-G844 PolarHBondContact OE1-N 3.29Å; E824-G844 VanDerWaalsContact OE1-N 3.11Å; E824-G844 PolarHBondContact OE2-N 3.37Å; H839-G844 WeakPolarHBondContact CB-O 3.44Å; H839-G844 PolarHBondContact N-O 2.98Å; G844-R931 PolarHBondContact O-NH2 2.97Å
845S96.7Very high93.6Very high6 Ų636.8 Ų36.84%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-112.6-179.9-171.1-77.90000114.3E824 F826 C827 L828 I835 I837E824-S845 VanDerWaalsContact O-CB 3.22Å; E824-S845 WeakPolarHBondContact O-CB 3.42Å; E824-S845 PolarHBondContact O-OG 3.43Å; F826-S845 WeakPolarHBondContact O-CA 3.25Å; F826-S845 WeakPolarHBondContact O-CB 3.31Å; F826-S845 PolarHBondContact O-N 3.09Å; C827-S845 CarbonylContact C-O 3.54Å; C827-S845 VanDerWaalsContact CA-O 3.28Å; C827-S845 WeakPolarHBondContact CA-O 3.37Å; L828-S845 PolarHBondContact N-O 3.46Å; I835-S845 VanDerWaalsContact CG2-CB 3.45Å; I837-S845 CarbonylContact O-C 3.41Å; I837-S845 WeakPolarHBondContact O-CA 3.06Å; I837-S845 WeakPolarHBondContact O-CB 3.49Å
846L95.8Very high93.1Very high0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-125.6133.8170.8-69.4171000109.4C829 E836 I837 H839 C850 K851 F854C829-L846 WeakPolarHBondContact SG-CD2 3.45Å; E836-L846 PolarHBondContact N-O 2.88Å; I837-L846 HydrophobicContact CD1-CD1 4.12Å; I837-L846 HydrophobicContact CG1-CB 3.97Å; I837-L846 HydrophobicContact CG1-CD1 4.24Å; I837-L846 PolarHBondContact N-O 3.42Å; I837-L846 PolarHBondContact O-N 2.92Å; H839-L846 HydrophobicContact CB-CG 4.09Å; L846-C850 HydrophobicContact CD2-CB 3.87Å; L846-K851 HydrophobicContact CB-CB 4.29Å; L846-F854 HydrophobicContact CD1-CB 4.44Å; L846-F854 HydrophobicContact CD1-CG 4.29Å
847C94.8Very high92.8Very high11 Ų1130.9 Ų30.97%0.07416%0.155CC..  trans-79.4160.7163.371.70000110.6C827 C830 T832 E834 K849 C850 K851C827-C847 HydrophobicContact CB-CB 4.1Å; C827-C847 PolarHBondContact SG-N 3.08Å; C830-C847 VanDerWaalsContact SG-SG 3.64Å; T832-C847 HydrophobicContact CG2-CB 3.5Å; E834-C847 VanDerWaalsContact O-CA 3.27Å; E834-C847 WeakPolarHBondContact O-CA 3.23Å; E834-C847 WeakPolarHBondContact O-CB 3.45Å; C847-K849 VanDerWaalsContact C-N 3.33Å; C847-K849 PolarHBondContact O-N 3.26Å; C847-C850 WeakPolarHBondContact O-CA 3.33Å; C847-C850 PolarHBondContact O-N 2.73Å; C847-C850 PolarHBondContact SG-SG 3.46Å; C847-K851 PolarHBondContact O-N 3.48Å
848L92.2Very high92.7Very high51 Ų5128.8 Ų28.827%0.26714%0.144SC..Hα-helixtrans-46.4-50.7-177.6179.961.8000113.3E836 C850 K851 D852E836-L848 HydrophobicContact CB-CB 4.42Å; E836-L848 HydrophobicContact CG-CB 4.3Å; E836-L848 HydrophobicContact CG-CD1 4.3Å; L848-C850 VanDerWaalsContact C-N 3.27Å; L848-C850 PolarHBondContact O-N 3.27Å; L848-K851 WeakPolarHBondContact O-CB 3.26Å; L848-K851 PolarHBondContact O-N 2.87Å; L848-D852 PolarHBondContact O-N 3.23Å
849K92.2Very high92.4Very high162 Ų16226.6 Ų26.670%0.70413%0.129SC*.Hα-helixtrans-59.6-33.6178.5-66.6-178177.9179.90114.3C847 N853C847-K849 VanDerWaalsContact C-N 3.33Å; C847-K849 PolarHBondContact O-N 3.26Å; K849-N853 WeakPolarHBondContact O-CB 2.99Å; K849-N853 PolarHBondContact O-N 3.08Å
850C92.8Very high92Very high5 Ų528.7 Ų28.73%0.03414%0.137CC..Hα-helixtrans-84.3-34.7179.5-60.70000111.1Y801 C829 L846 C847 L848 N853 F854Y801-C850 PolarHBondContact OH-SG 3.35Å; C829-C850 HydrophobicContact CB-CB 4.09Å; L846-C850 HydrophobicContact CD2-CB 3.87Å; C847-C850 WeakPolarHBondContact O-CA 3.33Å; C847-C850 PolarHBondContact O-N 2.73Å; C847-C850 PolarHBondContact SG-SG 3.46Å; L848-C850 VanDerWaalsContact C-N 3.27Å; L848-C850 PolarHBondContact O-N 3.27Å; C850-N853 PolarHBondContact O-N 3.27Å; C850-F854 WeakPolarHBondContact O-CB 3.49Å; C850-F854 PolarHBondContact O-N 2.85Å
851K92.2Very high91.7Very high48 Ų4830.2 Ų30.221%0.20914%0.143CC..Hα-helixtrans-57.4-46.9167.6168-176.6177.5174.30111.3E836 I837 L846 C847 L848 F854 T855E836-K851 HydrophobicContact CG-CD 3.47Å; E836-K851 VanDerWaalsContact CG-CD 3.47Å; E836-K851 IonicContact OE1-NZ 3.54Å; E836-K851 PolarHBondContact OE1-NZ 3.3Å; I837-K851 HydrophobicContact CD1-CB 4.25Å; I837-K851 HydrophobicContact CD1-CD 3.87Å; I837-K851 HydrophobicContact CD1-CG 3.8Å; I837-K851 HydrophobicContact CG1-CB 4.39Å; I837-K851 HydrophobicContact CG1-CD 4.05Å; I837-K851 HydrophobicContact CG1-CG 4.3Å; I837-K851 HydrophobicContact CG2-CD 4.17Å; L846-K851 HydrophobicContact CB-CB 4.29Å; C847-K851 PolarHBondContact O-N 3.48Å; L848-K851 WeakPolarHBondContact O-CB 3.26Å; L848-K851 PolarHBondContact O-N 2.87Å; K851-F854 PolarHBondContact O-N 3.22Å; K851-T855 WeakPolarHBondContact O-CB 3.39Å; K851-T855 PolarHBondContact O-N 3.11Å; K851-T855 PolarHBondContact O-OG1 2.98Å
852D89.9Confident91.3Very high87 Ų8734.5 Ų34.547%0.46517%0.165SC..Hα-helixtrans-61.8-50.7178.8-64.4-22.8000110.9L848 F854 T855 E856L848-D852 PolarHBondContact O-N 3.23Å; D852-F854 PolarHBondContact O-N 3.46Å; D852-T855 PolarHBondContact O-N 2.88Å; D852-E856 WeakPolarHBondContact O-CB 3.26Å; D852-E856 PolarHBondContact O-N 2.94Å
853N90.3Very high90.6Very high13 Ų1340.8 Ų40.87%0.0720%0.195CC..Hα-helixtrans-61-40.8176.6-174.663.1000113Y801 K849 C850 E856 T857 C874Y801-N853 WeakPolarHBondContact CB-OD1 3.18Å; Y801-N853 HydrophobicContact CD2-CB 3.49Å; Y801-N853 VanDerWaalsContact CD2-CB 3.49Å; Y801-N853 HydrophobicContact CE2-CB 3.74Å; Y801-N853 HydrophobicContact CG-CB 4.02Å; K849-N853 WeakPolarHBondContact O-CB 2.99Å; K849-N853 PolarHBondContact O-N 3.08Å; C850-N853 PolarHBondContact O-N 3.27Å; N853-E856 WeakPolarHBondContact O-CB 3.33Å; N853-E856 PolarHBondContact O-N 3.05Å; N853-T857 WeakPolarHBondContact O-CB 3.41Å; N853-T857 WeakPolarHBondContact O-CG2 3.48Å; N853-T857 PolarHBondContact O-N 3.22Å; N853-T857 PolarHBondContact O-OG1 3.48Å; N853-C874 VanDerWaalsContact ND2-CB 3.32Å; N853-C874 WeakPolarHBondContact ND2-CB 3.45Å; N853-C874 PolarHBondContact ND2-O 3.33Å
854F90.9Very high90.1Very high1 Ų139.7 Ų39.70%0.00419%0.193CC..Hα-helixtrans-66.5-42.6178.4-172.5-82.1000111.6H839 P840 L841 L846 C850 K851 D852 E856 T857 L858 C874 M941H839-F854 AromaticContact CE1-CE2 3.83Å; H839-F854 AromaticContact NE2-CE2 3.91Å; P840-F854 HydrophobicContact CG-CD1 4.35Å; P840-F854 HydrophobicContact CG-CE1 3.43Å; P840-F854 VanDerWaalsContact CG-CE1 3.43Å; P840-F854 HydrophobicContact CG-CZ 3.6Å; L841-F854 HydrophobicContact CD1-CE2 4.47Å; L841-F854 HydrophobicContact CD1-CZ 3.99Å; L841-F854 HydrophobicContact CG-CZ 4.19Å; L846-F854 HydrophobicContact CD1-CB 4.44Å; L846-F854 HydrophobicContact CD1-CG 4.29Å; C850-F854 WeakPolarHBondContact O-CB 3.49Å; C850-F854 PolarHBondContact O-N 2.85Å; K851-F854 PolarHBondContact O-N 3.22Å; D852-F854 PolarHBondContact O-N 3.46Å; F854-E856 PolarHBondContact O-N 2.89Å; F854-T857 PolarHBondContact O-N 3.04Å; F854-L858 HydrophobicContact CE1-CB 4.43Å; F854-L858 HydrophobicContact CE1-CD1 4.23Å; F854-L858 HydrophobicContact CE1-CD2 3.79Å; F854-L858 HydrophobicContact CE1-CG 4.37Å; F854-L858 HydrophobicContact CE2-CD1 4.14Å; F854-L858 HydrophobicContact CZ-CD1 3.76Å; F854-L858 HydrophobicContact CZ-CD2 4.04Å; F854-L858 HydrophobicContact CZ-CG 4.38Å; F854-L858 WeakPolarHBondContact O-CB 3.46Å; F854-L858 PolarHBondContact O-N 3.42Å; F854-L858 VanDerWaalsContact O-N 3.1Å; F854-C874 HydrophobicContact CD2-CB 4.44Å; F854-C874 WeakPolarHBondContact CD2-SG 3.39Å; F854-M941 HydrophobicContact CD1-CE 3.7Å; F854-M941 HydrophobicContact CD1-SD 3.75Å; F854-M941 HydrophobicContact CE1-CE 3.81Å; F854-M941 HydrophobicContact CE1-SD 3.92Å
855T88.5Confident89.6Confident30 Ų3039.8 Ų39.818%0.18420%0.195CC..Hα-helixtrans-60.9-34.7172.7-54.60000111.8K851 D852 F942 R1136K851-T855 WeakPolarHBondContact O-CB 3.39Å; K851-T855 PolarHBondContact O-N 3.11Å; K851-T855 PolarHBondContact O-OG1 2.98Å; D852-T855 PolarHBondContact O-N 2.88Å; T855-F942 HydrophobicContact CG2-CD1 4.33Å; T855-F942 HydrophobicContact CG2-CE1 3.76Å; T855-R1136 HydrophobicContact CG2-CB 4.24Å; T855-R1136 WeakPolarHBondContact O-CB 3.48Å
856E85.5Confident89.3Confident41 Ų4142.2 Ų42.219%0.19220%0.203CC..Hα-helixtrans-73.9-36.6-179.4-155.6-154.694.200113.8D852 N853 F854 R860 P1137 I1139D852-E856 WeakPolarHBondContact O-CB 3.26Å; D852-E856 PolarHBondContact O-N 2.94Å; N853-E856 WeakPolarHBondContact O-CB 3.33Å; N853-E856 PolarHBondContact O-N 3.05Å; F854-E856 PolarHBondContact O-N 2.89Å; E856-R860 PolarHBondContact O-NH2 3.12Å; E856-R860 IonicContact OE1-CZ 2.76Å; E856-R860 IonicContact OE1-NH1 2.79Å; E856-R860 PolarHBondContact OE1-NH1 3.15Å; E856-R860 IonicContact OE1-NH2 3.61Å; E856-R860 PolarHBondContact OE1-NH2 3.49Å; E856-P1137 HydrophobicContact CG-CB 4.18Å; E856-P1137 HydrophobicContact CG-CG 4.35Å; E856-I1139 HydrophobicContact CG-CD1 4.01Å; E856-I1139 WeakPolarHBondContact OE1-CD1 3.33Å; E856-I1139 WeakPolarHBondContact OE2-CD1 3.41Å
857T88.5Confident89.1Confident4 Ų442.6 Ų42.63%0.02521%0.205CC..Hα-helixtrans-117.4-19.5-161.458.50000116N853 F854 Y859 R860 Y869 C874N853-T857 WeakPolarHBondContact O-CB 3.41Å; N853-T857 WeakPolarHBondContact O-CG2 3.48Å; N853-T857 PolarHBondContact O-N 3.22Å; N853-T857 PolarHBondContact O-OG1 3.48Å; F854-T857 PolarHBondContact O-N 3.04Å; T857-Y859 PolarHBondContact O-N 3.15Å; T857-Y859 VanDerWaalsContact O-N 3.12Å; T857-R860 WeakPolarHBondContact O-CB 3.48Å; T857-R860 PolarHBondContact O-N 2.86Å; T857-Y869 HydrophobicContact CG2-CD2 4.02Å; T857-Y869 HydrophobicContact CG2-CE2 3.96Å; T857-C874 WeakPolarHBondContact OG1-CB 3.28Å; T857-C874 PolarHBondContact OG1-SG 3.13Å
858L89.8Confident88.8Confident3 Ų343.2 Ų43.22%0.01621%0.209CC..THydrogen-bonded Turntrans-55.2-36.6-175.3-175.273.4000113.3L841 F854 Q867 V938 F942L841-L858 HydrophobicContact CD1-CD1 4.27Å; F854-L858 HydrophobicContact CE1-CB 4.43Å; F854-L858 HydrophobicContact CE1-CD1 4.23Å; F854-L858 HydrophobicContact CE1-CD2 3.79Å; F854-L858 HydrophobicContact CE1-CG 4.37Å; F854-L858 HydrophobicContact CE2-CD1 4.14Å; F854-L858 HydrophobicContact CZ-CD1 3.76Å; F854-L858 HydrophobicContact CZ-CD2 4.04Å; F854-L858 HydrophobicContact CZ-CG 4.38Å; F854-L858 WeakPolarHBondContact O-CB 3.46Å; F854-L858 PolarHBondContact O-N 3.42Å; F854-L858 VanDerWaalsContact O-N 3.1Å; L858-Q867 PolarHBondContact O-NE2 3.26Å; L858-V938 HydrophobicContact CD2-CG2 3.61Å; L858-F942 HydrophobicContact CD2-CE2 3.89Å; L858-F942 HydrophobicContact CD2-CZ 4.39Å
859Y90.2Very high88.8Confident2 Ų244.5 Ų44.51%0.00821%0.212CC..THydrogen-bonded Turntrans-104.445.2176.8-53.7-49.9000111.8T857 Q939 F942 R1136 P1238 E1241T857-Y859 PolarHBondContact O-N 3.15Å; T857-Y859 VanDerWaalsContact O-N 3.12Å; Y859-Q939 PolarHBondContact OH-NE2 2.97Å; Y859-F942 HydrophobicContact CD2-CE1 4.48Å; Y859-F942 AromaticContact CD2-CE2 3.96Å; Y859-F942 HydrophobicContact CD2-CE2 3.96Å; Y859-F942 AromaticContact CD2-CZ 3.92Å; Y859-F942 HydrophobicContact CD2-CZ 3.92Å; Y859-F942 AromaticContact CE2-CD2 3.51Å; Y859-F942 HydrophobicContact CE2-CD2 3.51Å; Y859-F942 HydrophobicContact CE2-CE1 4.28Å; Y859-F942 AromaticContact CE2-CE2 3.19Å; Y859-F942 HydrophobicContact CE2-CE2 3.19Å; Y859-F942 HydrophobicContact CE2-CG 4.21Å; Y859-F942 AromaticContact CE2-CZ 3.63Å; Y859-F942 HydrophobicContact CE2-CZ 3.63Å; Y859-F942 AromaticContact CZ-CD2 3.98Å; Y859-F942 AromaticContact CZ-CE2 3.67Å; Y859-R1136 PolarHBondContact O-NH2 2.91Å; Y859-P1238 HydrophobicContact CD1-CB 4.25Å; Y859-P1238 HydrophobicContact CD2-CB 3.78Å; Y859-P1238 HydrophobicContact CD2-CG 3.6Å; Y859-P1238 HydrophobicContact CE1-CB 4.36Å; Y859-P1238 HydrophobicContact CE2-CB 3.86Å; Y859-P1238 HydrophobicContact CE2-CG 4.12Å; Y859-P1238 HydrophobicContact CG-CB 3.97Å; Y859-P1238 HydrophobicContact CG-CG 3.87Å; Y859-E1241 HydrophobicContact CE1-CG 3.95Å
860R87.1Confident88.9Confident43 Ų4336.8 Ų36.816%0.16218%0.178CC..  trans-106.5140.4159.7-72.6-175.4-179.4143.822109.1E856 T857 Q867 S868 Y869E856-R860 PolarHBondContact O-NH2 3.12Å; E856-R860 IonicContact OE1-CZ 2.76Å; E856-R860 IonicContact OE1-NH1 2.79Å; E856-R860 PolarHBondContact OE1-NH1 3.15Å; E856-R860 IonicContact OE1-NH2 3.61Å; E856-R860 PolarHBondContact OE1-NH2 3.49Å; T857-R860 WeakPolarHBondContact O-CB 3.48Å; T857-R860 PolarHBondContact O-N 2.86Å; R860-Q867 WeakPolarHBondContact O-CA 3.22Å; R860-S868 PolarHBondContact O-N 3.3Å; R860-Y869 HydrophobicContact CB-CE2 4.43Å
861Y87.8Confident89Confident35 Ų3536.6 Ų36.614%0.13718%0.177CC..BIsolated β-bridgetrans-136.6143.4178.6-56.2-88.3000108.5G865 Y866 Q867 S868 H888 A1237 K1240Y861-G865 WeakPolarHBondContact CD1-O 3.47Å; Y861-Y866 CarbonylContact C-O 3.19Å; Y861-Y866 WeakPolarHBondContact CA-O 3.36Å; Y861-Y866 WeakPolarHBondContact CB-O 3.42Å; Y861-Q867 HydrophobicContact CD1-CG 4.06Å; Y861-Q867 HydrophobicContact CE1-CG 3.65Å; Y861-S868 PolarHBondContact N-OG 2.89Å; Y861-H888 HydrophobicContact CD1-CB 4.13Å; Y861-H888 HydrophobicContact CE1-CB 3.85Å; Y861-A1237 HydrophobicContact CD2-CB 4.02Å; Y861-A1237 HydrophobicContact CE2-CB 4.01Å; Y861-A1237 WeakPolarHBondContact CE2-O 3.4Å; Y861-K1240 HydrophobicContact CD1-CD 3.89Å; Y861-K1240 HydrophobicContact CD2-CD 4.09Å; Y861-K1240 HydrophobicContact CE1-CB 4.48Å; Y861-K1240 HydrophobicContact CE1-CD 3.82Å; Y861-K1240 HydrophobicContact CE2-CB 4.36Å; Y861-K1240 HydrophobicContact CE2-CD 4.02Å; Y861-K1240 HydrophobicContact CE2-CG 4.41Å; Y861-K1240 HydrophobicContact CG-CD 4.04Å
862D86.1Confident89.1Confident91 Ų9134.3 Ų34.349%0.48717%0.167SC..  trans-89.8-177.4176.2-67.9-20.4000111D864 G865 Y866 S868D862-D864 PolarHBondContact O-N 2.91Å; D862-G865 WeakPolarHBondContact O-CA 3.48Å; D862-G865 PolarHBondContact O-N 2.79Å; D862-Y866 PolarHBondContact N-O 2.97Å; D862-S868 PolarHBondContact N-OG 2.79Å; D862-S868 WeakPolarHBondContact OD1-CB 3.31Å; D862-S868 PolarHBondContact OD1-OG 3.36Å; D862-S868 WeakPolarHBondContact OD2-CA 3.33Å; D862-S868 WeakPolarHBondContact OD2-CB 3.4Å
863E80.9Confident89.1Confident132 Ų13230.4 Ų30.462%0.61715%0.146SC*.THydrogen-bonded Turntrans-71.8-12.6-173.9-60.9-170138.800113.9N1143 I1251E863-N1143 PolarHBondContact OE1-ND2 2.99Å; E863-N1143 PolarHBondContact OE2-ND2 3.46Å; E863-I1251 HydrophobicContact CB-CD1 4.22Å
864D84.6Confident89.1Confident68 Ų6829.9 Ų29.936%0.36414%0.144SC..THydrogen-bonded Turntrans-79.2-7.8166.468.2-3.7000112.9D862 Y866D862-D864 PolarHBondContact O-N 2.91Å; D864-Y866 HydrophobicContact CB-CD2 4.48Å; D864-Y866 PolarHBondContact OD1-N 2.77Å
865G85.9Confident88.9Confident3 Ų332.7 Ų32.73%0.03116%0.155CC..SBendtrans84.8-4-17900000115.6Y861 D862 H888 K1240Y861-G865 WeakPolarHBondContact CD1-O 3.47Å; D862-G865 WeakPolarHBondContact O-CA 3.48Å; D862-G865 PolarHBondContact O-N 2.79Å; G865-H888 WeakPolarHBondContact O-CB 3.25Å; G865-H888 PolarHBondContact O-CD2 3Å; G865-K1240 PolarHBondContact O-NZ 3.39Å
866Y90.3Very high88.3Confident56 Ų5632.1 Ų32.122%0.2216%0.155CC..SBendtrans-86.6162.2178.6-77.7-96.6000112.5Y861 D862 D864 S868 L881 C882 C887Y861-Y866 CarbonylContact C-O 3.19Å; Y861-Y866 WeakPolarHBondContact CA-O 3.36Å; Y861-Y866 WeakPolarHBondContact CB-O 3.42Å; D862-Y866 PolarHBondContact N-O 2.97Å; D864-Y866 HydrophobicContact CB-CD2 4.48Å; D864-Y866 PolarHBondContact OD1-N 2.77Å; Y866-S868 PolarHBondContact O-N 3.33Å; Y866-L881 HydrophobicContact CD1-CB 3.94Å; Y866-L881 HydrophobicContact CD1-CD1 4.32Å; Y866-L881 HydrophobicContact CD1-CD2 3.99Å; Y866-L881 HydrophobicContact CD1-CG 4.3Å; Y866-L881 HydrophobicContact CD2-CD1 3.95Å; Y866-L881 HydrophobicContact CE1-CB 3.88Å; Y866-L881 HydrophobicContact CE2-CD1 4.25Å; Y866-L881 HydrophobicContact CG-CB 4.46Å; Y866-L881 HydrophobicContact CG-CD1 4Å; Y866-L881 HydrophobicContact CG-CD2 4Å; Y866-L881 HydrophobicContact CG-CG 4.37Å; Y866-C882 PolarHBondContact OH-O 3.35Å; Y866-C887 VanDerWaalsContact CE1-O 3.29Å; Y866-C887 WeakPolarHBondContact CE1-O 3.46Å
867Q90.9Very high87.9Confident8 Ų838.7 Ų38.74%0.03719%0.187CC..BIsolated β-bridgetrans-63122.4177.1-81.3-179.9-43.800111.7L858 R860 Y861 Y869 T871 H888 S890L858-Q867 PolarHBondContact O-NE2 3.26Å; R860-Q867 WeakPolarHBondContact O-CA 3.22Å; Y861-Q867 HydrophobicContact CD1-CG 4.06Å; Y861-Q867 HydrophobicContact CE1-CG 3.65Å; Q867-Y869 PolarHBondContact O-N 3.29Å; Q867-T871 PolarHBondContact OE1-OG1 2.85Å; Q867-H888 WeakPolarHBondContact CB-O 3.45Å; Q867-H888 WeakPolarHBondContact CG-O 3.25Å; Q867-H888 PolarHBondContact N-O 3.49Å; Q867-S890 WeakPolarHBondContact O-CB 3.31Å; Q867-S890 PolarHBondContact O-OG 3.18Å
868S88.4Confident88Confident24 Ų2443 Ų4317%0.16821%0.207CC..SBendtrans-61.6-10.9-179.2-38.80000115.1R860 Y861 D862 Y866R860-S868 PolarHBondContact O-N 3.3Å; Y861-S868 PolarHBondContact N-OG 2.89Å; D862-S868 PolarHBondContact N-OG 2.79Å; D862-S868 WeakPolarHBondContact OD1-CB 3.31Å; D862-S868 PolarHBondContact OD1-OG 3.36Å; D862-S868 WeakPolarHBondContact OD2-CA 3.33Å; D862-S868 WeakPolarHBondContact OD2-CB 3.4Å; Y866-S868 PolarHBondContact O-N 3.33Å
869Y91.6Very high88.2Confident79 Ų7945.4 Ų45.431%0.3122%0.222SC..SBendtrans-145.8151.5-176.6-55-84000110.3T857 R860 Q867 T871 S890T857-Y869 HydrophobicContact CG2-CD2 4.02Å; T857-Y869 HydrophobicContact CG2-CE2 3.96Å; R860-Y869 HydrophobicContact CB-CE2 4.43Å; Q867-Y869 PolarHBondContact O-N 3.29Å; Y869-T871 PolarHBondContact O-N 3.44Å; Y869-S890 PolarHBondContact O-OG 3.43Å
870C94.4Very high88.3Confident0 Ų046.4 Ų46.40%023%0.227CC..  trans-53.4129.8179.7176.50000112.6I872 C874 Y875 S890 C892C870-I872 PolarHBondContact O-N 3.46Å; C870-I872 PolarHBondContact SG-N 2.91Å; C870-I872 VanDerWaalsContact SG-N 3.39Å; C870-C874 VanDerWaalsContact O-CA 3.29Å; C870-C874 WeakPolarHBondContact O-CA 3.36Å; C870-C874 PolarHBondContact O-N 3.49Å; C870-Y875 WeakPolarHBondContact CB-O 3.27Å; C870-Y875 PolarHBondContact N-O 3.45Å; C870-S890 CarbonylContact C-O 3.59Å; C870-S890 WeakPolarHBondContact CA-O 3.48Å; C870-C892 HydrophobicContact CB-CB 3.81Å; C870-C892 VanDerWaalsContact CB-SG 3.57Å; C870-C892 PolarHBondContact SG-N 3.2Å; C870-C892 VanDerWaalsContact SG-SG 3.62Å
871T94.8Very high88.7Confident1 Ų147.4 Ų47.41%0.00624%0.235CC..THydrogen-bonded Turntrans-52.2-23.5175.9-55.40000114.1L841 F842 Q867 Y869 S890 F891 L918L841-T871 HydrophobicContact CD1-CG2 3.4Å; L841-T871 VanDerWaalsContact CD1-CG2 3.4Å; F842-T871 HydrophobicContact CE2-CG2 4.45Å; Q867-T871 PolarHBondContact OE1-OG1 2.85Å; Y869-T871 PolarHBondContact O-N 3.44Å; T871-S890 PolarHBondContact N-O 3.45Å; T871-S890 PolarHBondContact OG1-O 3.41Å; T871-F891 HydrophobicContact CG2-CZ 4.25Å; T871-L918 HydrophobicContact CG2-CD1 3.88Å
872I93.8Very high89Confident0 Ų045.7 Ų45.70%023%0.229CC..THydrogen-bonded Turntrans-91.5-64.9-179.5-58.6163.5000111.9L828 C829 H839 F842 C870 F891 C895 L899 L928L828-I872 HydrophobicContact CD2-CG2 3.92Å; L828-I872 HydrophobicContact CG-CG2 4.22Å; C829-I872 PolarHBondContact SG-O 3.5Å; H839-I872 PolarHBondContact NE2-O 3.16Å; F842-I872 HydrophobicContact CD2-CG1 3.94Å; F842-I872 HydrophobicContact CE2-CD1 4.4Å; F842-I872 HydrophobicContact CE2-CG1 3.55Å; F842-I872 HydrophobicContact CZ-CG1 4.13Å; C870-I872 PolarHBondContact O-N 3.46Å; C870-I872 PolarHBondContact SG-N 2.91Å; C870-I872 VanDerWaalsContact SG-N 3.39Å; I872-F891 HydrophobicContact CD1-CD1 3.66Å; I872-F891 HydrophobicContact CD1-CE1 3.76Å; I872-F891 HydrophobicContact CG1-CD1 4.1Å; I872-F891 HydrophobicContact CG1-CE1 3.9Å; I872-C895 HydrophobicContact CB-CB 4.32Å; I872-C895 HydrophobicContact CD1-CB 3.85Å; I872-L899 HydrophobicContact CD1-CD1 4.36Å; I872-L899 HydrophobicContact CG2-CD1 3.89Å; I872-L928 HydrophobicContact CD1-CD1 3.68Å; I872-L928 HydrophobicContact CD1-CD2 3.89Å; I872-L928 HydrophobicContact CD1-CG 4.48Å; I872-L928 HydrophobicContact CG1-CD1 4.29Å
873C91.4Very high89.2Confident4 Ų443 Ų433%0.02722%0.222CC..THydrogen-bonded Turntrans-91.5-6.8-172.764.50000114.4C829 Y875 C892 C895C829-C873 HydrophobicContact CB-CB 4.17Å; C873-Y875 PolarHBondContact O-N 2.98Å; C873-Y875 PolarHBondContact SG-O 2.96Å; C873-C892 PolarHBondContact SG-SG 3.45Å; C873-C895 PolarHBondContact SG-SG 3.13Å
874C89.9Confident89.7Confident3 Ų339.3 Ų39.32%0.0221%0.205CC..SBendtrans53.238.8-172.1-800000112.4N853 F854 T857 C870N853-C874 VanDerWaalsContact ND2-CB 3.32Å; N853-C874 WeakPolarHBondContact ND2-CB 3.45Å; N853-C874 PolarHBondContact ND2-O 3.33Å; F854-C874 HydrophobicContact CD2-CB 4.44Å; F854-C874 WeakPolarHBondContact CD2-SG 3.39Å; T857-C874 WeakPolarHBondContact OG1-CB 3.28Å; T857-C874 PolarHBondContact OG1-SG 3.13Å; C870-C874 VanDerWaalsContact O-CA 3.29Å; C870-C874 WeakPolarHBondContact O-CA 3.36Å; C870-C874 PolarHBondContact O-N 3.49Å
875Y86.1Confident89.7Confident60 Ų6041 Ų4124%0.23521%0.214CC..  trans-153.3173.8176.7-164.3-95.7000109.5Y801 Q803 C870 C873Y801-Y875 AromaticContact CD1-CD2 3.88Å; Y801-Y875 HydrophobicContact CD1-CD2 3.88Å; Y801-Y875 HydrophobicContact CE1-CD2 4.22Å; Y801-Y875 HydrophobicContact CE1-CG 4.43Å; Q803-Y875 HydrophobicContact CB-CD1 3.86Å; Q803-Y875 HydrophobicContact CB-CE1 3.55Å; Q803-Y875 HydrophobicContact CB-CE2 4.39Å; Q803-Y875 HydrophobicContact CB-CG 4.45Å; Q803-Y875 VanDerWaalsContact CD-CD1 3.43Å; Q803-Y875 HydrophobicContact CG-CD1 3.48Å; Q803-Y875 VanDerWaalsContact CG-CD1 3.48Å; Q803-Y875 HydrophobicContact CG-CE1 3.58Å; Q803-Y875 HydrophobicContact CG-CG 4.23Å; C870-Y875 WeakPolarHBondContact CB-O 3.27Å; C870-Y875 PolarHBondContact N-O 3.45Å; C873-Y875 PolarHBondContact O-N 2.98Å; C873-Y875 PolarHBondContact SG-O 2.96Å
876G76.8Confident89.6Confident18 Ų1841.6 Ų41.619%0.18622%0.22CC..  trans140.7136.4172.600000110.6
877M77.6Confident89.5Confident178 Ų17839.1 Ų39.188%0.87721%0.211SC*.SBendtrans-94.5-29.3172.8-67.2-173.565.800112.4
878E89.7Confident89.5Confident95 Ų9539.9 Ų39.944%0.44421%0.214SC..SBendtrans-122.5133.7170.8-153.6-174.8141.900108.4C892 E893 F905 K909E878-C892 VanDerWaalsContact O-CA 3.27Å; E878-C892 WeakPolarHBondContact O-CA 3.49Å; E878-C892 WeakPolarHBondContact O-CB 3.33Å; E878-E893 PolarHBondContact O-N 3.4Å; E878-F905 HydrophobicContact CB-CE1 4.16Å; E878-F905 HydrophobicContact CB-CZ 4.11Å; E878-F905 HydrophobicContact CG-CE1 3.96Å; E878-F905 HydrophobicContact CG-CZ 3.88Å; E878-F905 WeakPolarHBondContact OE1-CE1 3.42Å; E878-K909 WeakPolarHBondContact OE1-CE 3.39Å; E878-K909 IonicContact OE1-NZ 2.84Å; E878-K909 PolarHBondContact OE1-NZ 2.97Å; E878-K909 IonicContact OE2-NZ 3.61Å
879V93.1Very high89.8Confident54 Ų5439.2 Ų39.233%0.32721%0.208SC..EExtended strand (participates in β ladder)trans-136.6150.9-179-660000110.9L881 F891 C892V879-L881 HydrophobicContact CG2-CD2 4.27Å; V879-F891 CarbonylContact C-O 3.51Å; V879-F891 VanDerWaalsContact CA-O 3.27Å; V879-F891 WeakPolarHBondContact CA-O 3.34Å; V879-C892 HydrophobicContact CG1-CB 3.89Å
880I93.8Very high89.9Confident23 Ų2335.5 Ų35.512%0.11819%0.193CC..EExtended strand (participates in β ladder)trans-103.9138.6166.7-169.9172.6000109.4S890 F891 L896 F905 L908 W914I880-S890 CarbonylContact O-C 3.45Å; I880-S890 WeakPolarHBondContact O-CA 3.42Å; I880-F891 HydrophobicContact CG2-CB 4.28Å; I880-F891 PolarHBondContact N-O 3.41Å; I880-F891 PolarHBondContact O-N 2.96Å; I880-L896 HydrophobicContact CG2-CD1 3.67Å; I880-F905 HydrophobicContact CB-CD2 4.46Å; I880-F905 HydrophobicContact CB-CE2 3.87Å; I880-F905 HydrophobicContact CG2-CD2 4.22Å; I880-F905 HydrophobicContact CG2-CE2 3.96Å; I880-L908 HydrophobicContact CD1-CB 3.72Å; I880-L908 WeakPolarHBondContact CD1-O 3.34Å; I880-W914 HydrophobicContact CD1-CB 4.19Å; I880-W914 HydrophobicContact CD1-CD2 4.26Å; I880-W914 HydrophobicContact CD1-CE3 4.19Å; I880-W914 HydrophobicContact CD1-CG 4.27Å; I880-W914 HydrophobicContact CG1-CE3 4.07Å; I880-W914 HydrophobicContact CG2-CE3 3.91Å; I880-W914 HydrophobicContact CG2-CH2 4.19Å; I880-W914 HydrophobicContact CG2-CZ3 3.7Å
881L94.5Very high90Very high63 Ų6335.5 Ų35.533%0.3319%0.193SC..EExtended strand (participates in β ladder)trans-94.2147.6-176-54.5-175.7000111Y866 V879 G883Y866-L881 HydrophobicContact CD1-CB 3.94Å; Y866-L881 HydrophobicContact CD1-CD1 4.32Å; Y866-L881 HydrophobicContact CD1-CD2 3.99Å; Y866-L881 HydrophobicContact CD1-CG 4.3Å; Y866-L881 HydrophobicContact CD2-CD1 3.95Å; Y866-L881 HydrophobicContact CE1-CB 3.88Å; Y866-L881 HydrophobicContact CE2-CD1 4.25Å; Y866-L881 HydrophobicContact CG-CB 4.46Å; Y866-L881 HydrophobicContact CG-CD1 4Å; Y866-L881 HydrophobicContact CG-CD2 4Å; Y866-L881 HydrophobicContact CG-CG 4.37Å; V879-L881 HydrophobicContact CG2-CD2 4.27Å; L881-G883 PolarHBondContact O-N 3.28Å
882C93.8Very high90Very high0 Ų035.5 Ų35.50%019%0.193CC..  trans-79.9109.4177.7-174.20000111.6Y866 H884 C887 R889 W914 C916Y866-C882 PolarHBondContact OH-O 3.35Å; C882-H884 PolarHBondContact O-N 2.8Å; C882-C887 HydrophobicContact CB-CB 4.31Å; C882-C887 VanDerWaalsContact SG-SG 3.61Å; C882-R889 HydrophobicContact CB-CB 4.38Å; C882-R889 WeakPolarHBondContact CB-O 3.5Å; C882-R889 PolarHBondContact N-O 2.81Å; C882-W914 CarbonylContact C-O 3.41Å; C882-C916 HydrophobicContact CB-CB 3.93Å; C882-C916 PolarHBondContact SG-N 3.36Å; C882-C916 PolarHBondContact SG-SG 3.12Å
883G91.4Very high90Very high33 Ų3339 Ų3934%0.3421%0.21SC..  trans-74.525.4175.900000115.4L881 P913 W914L881-G883 PolarHBondContact O-N 3.28Å; G883-P913 WeakPolarHBondContact O-CB 3.45Å; G883-W914 PolarHBondContact N-O 3.34Å
884H90.2Very high90.1Very high56 Ų5641 Ų4126%0.25922%0.22SC..SBendtrans-92122.7170.6-173.9-54.7000108.8C882 G886 C887 I915 C919C882-H884 PolarHBondContact O-N 2.8Å; H884-G886 PolarHBondContact O-N 3.47Å; H884-C887 HydrophobicContact CB-CB 3.88Å; H884-C887 WeakPolarHBondContact O-CB 3.31Å; H884-C887 PolarHBondContact O-N 2.63Å; H884-I915 HydrophobicContact CB-CD1 3.87Å; H884-I915 HydrophobicContact CB-CG2 4.41Å; H884-C919 HydrophobicContact CB-CB 4.41Å
885D84.9Confident90.3Very high103 Ų10340.8 Ų40.855%0.55122%0.219SC*.THydrogen-bonded Turntrans-44.2131.2175.6173.525.8000111.5C887 T961D885-C887 VanDerWaalsContact C-N 3.28Å; D885-C887 PolarHBondContact O-N 2.95Å; D885-T961 WeakPolarHBondContact O-CG2 3.35Å
886G83.5Confident90.8Very high16 Ų1638 Ų3817%0.16521%0.208CC..THydrogen-bonded Turntrans72.32.8-176.700000116.7H884 H888 T961 R964H884-G886 PolarHBondContact O-N 3.47Å; G886-H888 PolarHBondContact O-CE1 3.37Å; G886-H888 PolarHBondContact O-ND1 2.91Å; G886-T961 VanDerWaalsContact O-CG2 3.29Å; G886-T961 WeakPolarHBondContact O-CG2 3.49Å; G886-R964 PolarHBondContact O-NH1 2.85Å; G886-R964 VanDerWaalsContact O-NH1 3.15Å
887C89.8Confident91.7Very high4 Ų438.5 Ų38.53%0.02721%0.207CC..  trans-101.990.3-176.9-167.10000113.3Y866 C882 H884 D885 R889 C919 T961Y866-C887 VanDerWaalsContact CE1-O 3.29Å; Y866-C887 WeakPolarHBondContact CE1-O 3.46Å; C882-C887 HydrophobicContact CB-CB 4.31Å; C882-C887 VanDerWaalsContact SG-SG 3.61Å; H884-C887 HydrophobicContact CB-CB 3.88Å; H884-C887 WeakPolarHBondContact O-CB 3.31Å; H884-C887 PolarHBondContact O-N 2.63Å; D885-C887 VanDerWaalsContact C-N 3.28Å; D885-C887 PolarHBondContact O-N 2.95Å; C887-R889 PolarHBondContact O-N 3.09Å; C887-C919 PolarHBondContact SG-SG 3.39Å; C887-T961 HydrophobicContact CB-CG2 4.25Å
888H91Very high92.5Very high24 Ų2430.8 Ų30.811%0.11117%0.169CC..  trans-73.630-177.7-49.5103000115.5Y861 G865 Q867 G886 C1245Y861-H888 HydrophobicContact CD1-CB 4.13Å; Y861-H888 HydrophobicContact CE1-CB 3.85Å; G865-H888 WeakPolarHBondContact O-CB 3.25Å; G865-H888 PolarHBondContact O-CD2 3Å; Q867-H888 WeakPolarHBondContact CB-O 3.45Å; Q867-H888 WeakPolarHBondContact CG-O 3.25Å; Q867-H888 PolarHBondContact N-O 3.49Å; G886-H888 PolarHBondContact O-CE1 3.37Å; G886-H888 PolarHBondContact O-ND1 2.91Å; H888-C1245 PolarHBondContact CE1-SG 2.85Å; H888-C1245 WeakPolarHBondContact NE2-CB 3.29Å
889R93.1Very high92.7Very high10 Ų1026.3 Ų26.34%0.03815%0.148CC..  trans-97.1146-172.6-65.1-160.5-175.7-51.3-4.5113.4C882 C887 F891 E1241C882-R889 HydrophobicContact CB-CB 4.38Å; C882-R889 WeakPolarHBondContact CB-O 3.5Å; C882-R889 PolarHBondContact N-O 2.81Å; C887-R889 PolarHBondContact O-N 3.09Å; R889-F891 HydrophobicContact CB-CE2 3.99Å; R889-E1241 IonicContact CZ-OE1 2.73Å; R889-E1241 IonicContact CZ-OE2 3.77Å; R889-E1241 IonicContact NH1-OE1 3.34Å; R889-E1241 PolarHBondContact NH1-OE1 3.41Å; R889-E1241 VanDerWaalsContact NH2-CD 3.27Å; R889-E1241 IonicContact NH2-OE1 3.21Å; R889-E1241 PolarHBondContact NH2-OE1 3.34Å; R889-E1241 IonicContact NH2-OE2 2.82Å; R889-E1241 PolarHBondContact NH2-OE2 3.32Å; R889-E1241 VanDerWaalsContact NH2-OE2 3.1Å
890S94.6Very high92.8Very high0 Ų025.4 Ų25.40%014%0.142CC..EExtended strand (participates in β ladder)trans-131.2148.4179.968.20000111.6Q867 Y869 C870 T871 I880Q867-S890 WeakPolarHBondContact O-CB 3.31Å; Q867-S890 PolarHBondContact O-OG 3.18Å; Y869-S890 PolarHBondContact O-OG 3.43Å; C870-S890 CarbonylContact C-O 3.59Å; C870-S890 WeakPolarHBondContact CA-O 3.48Å; T871-S890 PolarHBondContact N-O 3.45Å; T871-S890 PolarHBondContact OG1-O 3.41Å; I880-S890 CarbonylContact O-C 3.45Å; I880-S890 WeakPolarHBondContact O-CA 3.42Å
891F95.9Very high92.8Very high0 Ų025.1 Ų25.10%015%0.145CC..EExtended strand (participates in β ladder)trans-136.1126.2-175.1-71.5-103.3000110.9F842 T871 I872 V879 I880 R889 L896 W914 C916F842-F891 HydrophobicContact CE2-CE1 4.43Å; F842-F891 AromaticContact CZ-CE1 3.92Å; F842-F891 HydrophobicContact CZ-CE1 3.92Å; F842-F891 HydrophobicContact CZ-CZ 4.23Å; T871-F891 HydrophobicContact CG2-CZ 4.25Å; I872-F891 HydrophobicContact CD1-CD1 3.66Å; I872-F891 HydrophobicContact CD1-CE1 3.76Å; I872-F891 HydrophobicContact CG1-CD1 4.1Å; I872-F891 HydrophobicContact CG1-CE1 3.9Å; V879-F891 CarbonylContact C-O 3.51Å; V879-F891 VanDerWaalsContact CA-O 3.27Å; V879-F891 WeakPolarHBondContact CA-O 3.34Å; I880-F891 HydrophobicContact CG2-CB 4.28Å; I880-F891 PolarHBondContact N-O 3.41Å; I880-F891 PolarHBondContact O-N 2.96Å; R889-F891 HydrophobicContact CB-CE2 3.99Å; F891-L896 HydrophobicContact CB-CD1 3.9Å; F891-L896 HydrophobicContact CB-CD2 4.21Å; F891-L896 HydrophobicContact CB-CG 4.19Å; F891-L896 HydrophobicContact CD1-CD2 4.48Å; F891-W914 HydrophobicContact CB-CH2 3.97Å; F891-W914 HydrophobicContact CB-CZ3 4.31Å; F891-W914 HydrophobicContact CD1-CH2 4.5Å; F891-W914 AromaticContact CD2-CH2 3.58Å; F891-W914 HydrophobicContact CD2-CH2 3.58Å; F891-W914 AromaticContact CD2-CZ3 3.79Å; F891-W914 HydrophobicContact CD2-CZ3 3.79Å; F891-W914 HydrophobicContact CE2-CH2 4.22Å; F891-W914 AromaticContact CG-CH2 3.77Å; F891-W914 HydrophobicContact CG-CH2 3.77Å; F891-W914 HydrophobicContact CG-CZ3 4.28Å; F891-C916 HydrophobicContact CD2-CB 3.96Å; F891-C916 HydrophobicContact CE2-CB 3.4Å; F891-C916 VanDerWaalsContact CE2-CB 3.4Å; F891-C916 HydrophobicContact CZ-CB 4.02Å
892C94.8Very high92.8Very high1 Ų127.5 Ų27.51%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-85.8156.4-175.867.40000114.3C870 C873 E878 V879 D894 C895 L896C870-C892 HydrophobicContact CB-CB 3.81Å; C870-C892 VanDerWaalsContact CB-SG 3.57Å; C870-C892 PolarHBondContact SG-N 3.2Å; C870-C892 VanDerWaalsContact SG-SG 3.62Å; C873-C892 PolarHBondContact SG-SG 3.45Å; E878-C892 VanDerWaalsContact O-CA 3.27Å; E878-C892 WeakPolarHBondContact O-CA 3.49Å; E878-C892 WeakPolarHBondContact O-CB 3.33Å; V879-C892 HydrophobicContact CG1-CB 3.89Å; C892-D894 PolarHBondContact O-N 2.87Å; C892-C895 PolarHBondContact O-N 3.14Å; C892-L896 PolarHBondContact O-N 3.05Å
893E94.5Very high92.7Very high75 Ų7537 Ų3735%0.3520%0.2SC..Hα-helixtrans-44.8-57.5176.8-176.6-179.1176.500112.2E878 C895 L896 N897 F905E878-E893 PolarHBondContact O-N 3.4Å; E893-C895 VanDerWaalsContact C-N 3.29Å; E893-C895 PolarHBondContact O-N 3.47Å; E893-L896 PolarHBondContact O-N 3.14Å; E893-L896 VanDerWaalsContact O-N 3.1Å; E893-N897 WeakPolarHBondContact CG-ND2 3.36Å; E893-N897 WeakPolarHBondContact O-CB 3.33Å; E893-N897 PolarHBondContact O-N 2.91Å; E893-N897 PolarHBondContact OE1-ND2 3.43Å; E893-F905 HydrophobicContact CB-CB 4.38Å; E893-F905 HydrophobicContact CB-CD1 3.44Å; E893-F905 VanDerWaalsContact CB-CD1 3.44Å; E893-F905 HydrophobicContact CB-CD2 4.42Å; E893-F905 HydrophobicContact CB-CE1 3.6Å; E893-F905 HydrophobicContact CB-CG 3.86Å; E893-F905 HydrophobicContact CB-CZ 4.18Å; E893-F905 HydrophobicContact CG-CB 3.98Å; E893-F905 HydrophobicContact CG-CD1 3.46Å; E893-F905 VanDerWaalsContact CG-CD1 3.46Å; E893-F905 HydrophobicContact CG-CE1 4.08Å; E893-F905 HydrophobicContact CG-CG 3.91Å
894D93.6Very high92.9Very high44 Ų4436.4 Ų36.424%0.23519%0.19CC..Hα-helixtrans-55.7-43.1-175-67.4-63.4000112.3Q803 Q806 C892 I898Q803-D894 PolarHBondContact NE2-OD2 3.26Å; Q806-D894 HydrophobicContact CG-CB 4.18Å; Q806-D894 WeakPolarHBondContact CG-OD1 3.35Å; C892-D894 PolarHBondContact O-N 2.87Å; D894-I898 HydrophobicContact CB-CD1 4.43Å; D894-I898 WeakPolarHBondContact O-CB 3.22Å; D894-I898 WeakPolarHBondContact O-CD1 3.41Å; D894-I898 WeakPolarHBondContact O-CG1 3.35Å; D894-I898 PolarHBondContact O-N 3.46Å
895C94.9Very high93.1Very high0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-69.5-36.3-178.9-70.20000112.3R809 I872 C873 C892 E893 L899R809-C895 PolarHBondContact NH1-SG 3.19Å; R809-C895 VanDerWaalsContact NH1-SG 3.37Å; R809-C895 PolarHBondContact NH2-SG 2.71Å; I872-C895 HydrophobicContact CB-CB 4.32Å; I872-C895 HydrophobicContact CD1-CB 3.85Å; C873-C895 PolarHBondContact SG-SG 3.13Å; C892-C895 PolarHBondContact O-N 3.14Å; E893-C895 VanDerWaalsContact C-N 3.29Å; E893-C895 PolarHBondContact O-N 3.47Å; C895-L899 HydrophobicContact CB-CD1 4.48Å; C895-L899 WeakPolarHBondContact O-CB 3.21Å; C895-L899 WeakPolarHBondContact O-CG 3.48Å; C895-L899 PolarHBondContact O-N 3.36Å
896L95.6Very high93.6Very high0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-74.4-46.5179.9-65.1170.3000110.8I880 F891 C892 E893 I898 V900 G901 T904 F905 L908 Y917I880-L896 HydrophobicContact CG2-CD1 3.67Å; F891-L896 HydrophobicContact CB-CD1 3.9Å; F891-L896 HydrophobicContact CB-CD2 4.21Å; F891-L896 HydrophobicContact CB-CG 4.19Å; F891-L896 HydrophobicContact CD1-CD2 4.48Å; C892-L896 PolarHBondContact O-N 3.05Å; E893-L896 PolarHBondContact O-N 3.14Å; E893-L896 VanDerWaalsContact O-N 3.1Å; L896-I898 PolarHBondContact O-N 3.1Å; L896-V900 HydrophobicContact CD2-CG2 4.38Å; L896-V900 WeakPolarHBondContact O-CB 3.42Å; L896-V900 PolarHBondContact O-N 3.44Å; L896-V900 VanDerWaalsContact O-N 3.1Å; L896-G901 PolarHBondContact O-N 2.91Å; L896-G901 VanDerWaalsContact O-N 3.14Å; L896-T904 HydrophobicContact CB-CG2 4.22Å; L896-F905 HydrophobicContact CB-CB 4.45Å; L896-F905 HydrophobicContact CD1-CD2 3.64Å; L896-F905 HydrophobicContact CD1-CE2 4.3Å; L896-L908 HydrophobicContact CD1-CD1 4.41Å; L896-Y917 HydrophobicContact CD2-CE2 3.57Å
897N94.9Very high94.1Very high30 Ų3035 Ų3516%0.1619%0.186CC..Hα-helixtrans-68.6-30.8179.7-74.5-13.5000113.1E893 G901 R903 T904 F905E893-N897 WeakPolarHBondContact CG-ND2 3.36Å; E893-N897 WeakPolarHBondContact O-CB 3.33Å; E893-N897 PolarHBondContact O-N 2.91Å; E893-N897 PolarHBondContact OE1-ND2 3.43Å; N897-G901 WeakPolarHBondContact CA-O 3.42Å; N897-G901 CarbonylContact O-C 3.6Å; N897-R903 WeakPolarHBondContact OD1-CA 3.41Å; N897-R903 PolarHBondContact OD1-N 2.86Å; N897-T904 PolarHBondContact OD1-N 3.1Å; N897-F905 PolarHBondContact OD1-N 2.92Å
898I94.8Very high94.4Very high16 Ų1635.9 Ų35.98%0.08219%0.19CC..Hα-helixtrans-88.8-44.2178.5-65170000113Q806 E810 I813 D894 L896Q806-I898 HydrophobicContact CB-CD1 4.01Å; Q806-I898 WeakPolarHBondContact O-CD1 3.44Å; E810-I898 HydrophobicContact CB-CD1 4.14Å; E810-I898 HydrophobicContact CB-CG1 4.03Å; E810-I898 HydrophobicContact CB-CG2 4.42Å; E810-I898 HydrophobicContact CG-CG1 4.35Å; I813-I898 HydrophobicContact CB-CG2 4.02Å; I813-I898 HydrophobicContact CG1-CG2 3.84Å; I813-I898 HydrophobicContact CG2-CG2 4.32Å; D894-I898 HydrophobicContact CB-CD1 4.43Å; D894-I898 WeakPolarHBondContact O-CB 3.22Å; D894-I898 WeakPolarHBondContact O-CD1 3.41Å; D894-I898 WeakPolarHBondContact O-CG1 3.35Å; D894-I898 PolarHBondContact O-N 3.46Å; L896-I898 PolarHBondContact O-N 3.1Å
899L95.1Very high94.4Very high1 Ų139.3 Ų39.31%0.00520%0.204CC..Hα-helixtrans-93.3-27.9-170.7-55.8174.9000113.6I813 L828 I872 C895 A927 L928I813-L899 HydrophobicContact CD1-CD2 3.58Å; I813-L899 HydrophobicContact CG1-CD2 3.79Å; I813-L899 HydrophobicContact CG2-CD2 4.26Å; L828-L899 HydrophobicContact CD1-CD1 3.89Å; L828-L899 HydrophobicContact CD1-CD2 3.8Å; L828-L899 HydrophobicContact CD2-CD1 4.47Å; L828-L899 HydrophobicContact CG-CD1 4.02Å; I872-L899 HydrophobicContact CD1-CD1 4.36Å; I872-L899 HydrophobicContact CG2-CD1 3.89Å; C895-L899 HydrophobicContact CB-CD1 4.48Å; C895-L899 WeakPolarHBondContact O-CB 3.21Å; C895-L899 WeakPolarHBondContact O-CG 3.48Å; C895-L899 PolarHBondContact O-N 3.36Å; L899-A927 WeakPolarHBondContact O-CA 3.28Å; L899-A927 PolarHBondContact O-N 3.35Å; L899-L928 HydrophobicContact CB-CB 3.95Å; L899-L928 HydrophobicContact CB-CD1 4.5Å; L899-L928 HydrophobicContact CD1-CD1 4.01Å; L899-L928 PolarHBondContact O-N 3.24Å; L899-L928 VanDerWaalsContact O-N 3.1Å
900V95.3Very high94.3Very high34 Ų3444.7 Ų44.721%0.20624%0.238CC..THydrogen-bonded Turntrans-98.9-49.3178.1-175.60000110.6L896 T904 Y917 H925 L928L896-V900 HydrophobicContact CD2-CG2 4.38Å; L896-V900 WeakPolarHBondContact O-CB 3.42Å; L896-V900 PolarHBondContact O-N 3.44Å; L896-V900 VanDerWaalsContact O-N 3.1Å; V900-T904 HydrophobicContact CB-CG2 4.09Å; V900-T904 HydrophobicContact CG1-CG2 3.98Å; V900-Y917 HydrophobicContact CG2-CE2 3.88Å; V900-H925 WeakPolarHBondContact CA-O 3.49Å; V900-H925 HydrophobicContact CG1-CB 4.19Å; V900-H925 HydrophobicContact CG2-CB 4.3Å; V900-L928 HydrophobicContact CG2-CB 4.01Å; V900-L928 HydrophobicContact CG2-CD2 3.87Å
901G93.6Very high94.2Very high18 Ų1848.1 Ų48.119%0.18626%0.259CS..  trans158.3162169.500000113.6L896 N897 R903 T904L896-G901 PolarHBondContact O-N 2.91Å; L896-G901 VanDerWaalsContact O-N 3.14Å; N897-G901 WeakPolarHBondContact CA-O 3.42Å; N897-G901 CarbonylContact O-C 3.6Å; G901-R903 PolarHBondContact O-N 2.89Å; G901-T904 PolarHBondContact N-OG1 3.22Å; G901-T904 VanDerWaalsContact O-CB 3.25Å; G901-T904 WeakPolarHBondContact O-CB 3.4Å; G901-T904 PolarHBondContact O-N 3.18Å; G901-T904 VanDerWaalsContact O-N 3.1Å; G901-T904 PolarHBondContact O-OG1 3.46Å
902P92.9Very high93.8Very high112 Ų11255.6 Ų55.673%0.72730%0.299SS*.THydrogen-bonded Turntrans-56.7136.3-174.1-26.835.4000113.7T904P902-T904 PolarHBondContact O-N 2.92Å
903R92.9Very high93.6Very high200 Ų20059.3 Ų59.376%0.75532%0.323SS*.THydrogen-bonded Turntrans6413.3-176-53.4-179.9177.6173.9-1.5115.6N897 G901 F905 D906 S907N897-R903 WeakPolarHBondContact OD1-CA 3.41Å; N897-R903 PolarHBondContact OD1-N 2.86Å; G901-R903 PolarHBondContact O-N 2.89Å; R903-F905 PolarHBondContact O-N 3.45Å; R903-D906 PolarHBondContact O-N 2.86Å; R903-S907 PolarHBondContact O-N 3.49Å; R903-S907 VanDerWaalsContact O-N 3.17Å
904T95.6Very high93.6Very high21 Ų2156.3 Ų56.313%0.12931%0.309CS..Hα-helixtrans-54.4-44.3171.6-64.70000110.5L896 N897 V900 G901 P902 D906 S907 L908L896-T904 HydrophobicContact CB-CG2 4.22Å; N897-T904 PolarHBondContact OD1-N 3.1Å; V900-T904 HydrophobicContact CB-CG2 4.09Å; V900-T904 HydrophobicContact CG1-CG2 3.98Å; G901-T904 PolarHBondContact N-OG1 3.22Å; G901-T904 VanDerWaalsContact O-CB 3.25Å; G901-T904 WeakPolarHBondContact O-CB 3.4Å; G901-T904 PolarHBondContact O-N 3.18Å; G901-T904 VanDerWaalsContact O-N 3.1Å; G901-T904 PolarHBondContact O-OG1 3.46Å; P902-T904 PolarHBondContact O-N 2.92Å; T904-D906 PolarHBondContact O-N 2.83Å; T904-S907 PolarHBondContact O-N 3.19Å; T904-S907 PolarHBondContact O-OG 3.24Å; T904-L908 HydrophobicContact CG2-CD1 3.7Å; T904-L908 HydrophobicContact CG2-CG 4.13Å; T904-L908 VanDerWaalsContact O-CG 3.31Å; T904-L908 WeakPolarHBondContact O-CG 3.47Å; T904-L908 PolarHBondContact O-N 3.34Å; T904-L908 VanDerWaalsContact O-N 3.07Å
905F94.8Very high93.6Very high1 Ų156.6 Ų56.60%0.00431%0.31CS..Hα-helixtrans-57-52-177.4-170.6-129000113.3E878 I880 E893 L896 N897 R903 S907 L908 K909E878-F905 HydrophobicContact CB-CE1 4.16Å; E878-F905 HydrophobicContact CB-CZ 4.11Å; E878-F905 HydrophobicContact CG-CE1 3.96Å; E878-F905 HydrophobicContact CG-CZ 3.88Å; E878-F905 WeakPolarHBondContact OE1-CE1 3.42Å; I880-F905 HydrophobicContact CB-CD2 4.46Å; I880-F905 HydrophobicContact CB-CE2 3.87Å; I880-F905 HydrophobicContact CG2-CD2 4.22Å; I880-F905 HydrophobicContact CG2-CE2 3.96Å; E893-F905 HydrophobicContact CB-CB 4.38Å; E893-F905 HydrophobicContact CB-CD1 3.44Å; E893-F905 VanDerWaalsContact CB-CD1 3.44Å; E893-F905 HydrophobicContact CB-CD2 4.42Å; E893-F905 HydrophobicContact CB-CE1 3.6Å; E893-F905 HydrophobicContact CB-CG 3.86Å; E893-F905 HydrophobicContact CB-CZ 4.18Å; E893-F905 HydrophobicContact CG-CB 3.98Å; E893-F905 HydrophobicContact CG-CD1 3.46Å; E893-F905 VanDerWaalsContact CG-CD1 3.46Å; E893-F905 HydrophobicContact CG-CE1 4.08Å; E893-F905 HydrophobicContact CG-CG 3.91Å; L896-F905 HydrophobicContact CB-CB 4.45Å; L896-F905 HydrophobicContact CD1-CD2 3.64Å; L896-F905 HydrophobicContact CD1-CE2 4.3Å; N897-F905 PolarHBondContact OD1-N 2.92Å; R903-F905 PolarHBondContact O-N 3.45Å; F905-S907 VanDerWaalsContact C-N 3.3Å; F905-S907 PolarHBondContact O-N 3.31Å; F905-L908 PolarHBondContact O-N 3.43Å; F905-L908 VanDerWaalsContact O-N 3.1Å; F905-K909 VanDerWaalsContact CD1-CE 3.45Å; F905-K909 PolarHBondContact O-N 3.1Å; F905-K909 VanDerWaalsContact O-N 3.09Å
906D93.9Very high93.6Very high79 Ų7956.6 Ų56.642%0.42231%0.31SS..Hα-helixtrans-67.8-30.2-179.7-58.5-48.8000112.7R903 T904 L908 K909R903-D906 PolarHBondContact O-N 2.86Å; T904-D906 PolarHBondContact O-N 2.83Å; D906-L908 VanDerWaalsContact C-N 3.27Å; D906-L908 PolarHBondContact O-N 3.18Å; D906-K909 IonicContact OD1-NZ 2.76Å; D906-K909 PolarHBondContact OD1-NZ 3.29Å
907S94.8Very high93.5Very high65 Ų6557.1 Ų57.146%0.45531%0.312SS..Hα-helixtrans-68.7-25.9173.775.60000113.2R903 T904 F905 V910R903-S907 PolarHBondContact O-N 3.49Å; R903-S907 VanDerWaalsContact O-N 3.17Å; T904-S907 PolarHBondContact O-N 3.19Å; T904-S907 PolarHBondContact O-OG 3.24Å; F905-S907 VanDerWaalsContact C-N 3.3Å; F905-S907 PolarHBondContact O-N 3.31Å; S907-V910 WeakPolarHBondContact O-CG2 3.41Å
908L94.8Very high93.4Very high22 Ų2256.7 Ų56.712%0.11531%0.309CS..Hα-helixtrans-88.4-25.5177.8-63.6178.7000113I880 L896 T904 F905 D906 V910 V911 W914I880-L908 HydrophobicContact CD1-CB 3.72Å; I880-L908 WeakPolarHBondContact CD1-O 3.34Å; L896-L908 HydrophobicContact CD1-CD1 4.41Å; T904-L908 HydrophobicContact CG2-CD1 3.7Å; T904-L908 HydrophobicContact CG2-CG 4.13Å; T904-L908 VanDerWaalsContact O-CG 3.31Å; T904-L908 WeakPolarHBondContact O-CG 3.47Å; T904-L908 PolarHBondContact O-N 3.34Å; T904-L908 VanDerWaalsContact O-N 3.07Å; F905-L908 PolarHBondContact O-N 3.43Å; F905-L908 VanDerWaalsContact O-N 3.1Å; D906-L908 VanDerWaalsContact C-N 3.27Å; D906-L908 PolarHBondContact O-N 3.18Å; L908-V910 PolarHBondContact O-N 2.86Å; L908-V911 PolarHBondContact O-N 3.45Å; L908-W914 HydrophobicContact CD1-CD2 4.48Å; L908-W914 HydrophobicContact CD1-CZ2 3.98Å
909K91.6Very high93.2Very high96 Ų9657.6 Ų57.642%0.41732%0.316SS..THydrogen-bonded Turntrans-56.1-21.4173.9-74.9177.1-177.3168.30114.3E878 F905 D906E878-K909 WeakPolarHBondContact OE1-CE 3.39Å; E878-K909 IonicContact OE1-NZ 2.84Å; E878-K909 PolarHBondContact OE1-NZ 2.97Å; E878-K909 IonicContact OE2-NZ 3.61Å; F905-K909 VanDerWaalsContact CD1-CE 3.45Å; F905-K909 PolarHBondContact O-N 3.1Å; F905-K909 VanDerWaalsContact O-N 3.09Å; D906-K909 IonicContact OD1-NZ 2.76Å; D906-K909 PolarHBondContact OD1-NZ 3.29Å
910V92.4Very high93Very high124 Ų12460 Ų6075%0.75233%0.328SS*.THydrogen-bonded Turntrans-102.99.9178.4-610000113.4S907 L908S907-V910 WeakPolarHBondContact O-CG2 3.41Å; L908-V910 PolarHBondContact O-N 2.86Å
911V91.8Very high92.4Very high71 Ų7163.4 Ų63.443%0.4335%0.351SS..  trans-111.2109.9178179.50000109L908 W914L908-V911 PolarHBondContact O-N 3.45Å; V911-W914 HydrophobicContact CG1-CB 4.44Å; V911-W914 WeakPolarHBondContact O-CB 3.5Å; V911-W914 PolarHBondContact O-N 2.75Å
912D87.8Confident92.1Very high157 Ų15766.9 Ų66.984%0.8436%0.362SS*.SBendtrans-129.3122.1179-173.823.9000110
913P90.4Very high91.9Very high79 Ų7965.6 Ų65.651%0.51335%0.346SS..SBendcis-77.3130.7-6.230.4-33.6000112.9G883 I915G883-P913 WeakPolarHBondContact O-CB 3.45Å; P913-I915 HydrophobicContact CB-CD1 4.49Å
914W94.3Very high91.8Very high12 Ų1260.5 Ų60.55%0.04534%0.339CS..PPolyproline II helixtrans-79.6120.9167.9176.265.9000111.8I880 C882 G883 F891 L908 V911 C916 Y917I880-W914 HydrophobicContact CD1-CB 4.19Å; I880-W914 HydrophobicContact CD1-CD2 4.26Å; I880-W914 HydrophobicContact CD1-CE3 4.19Å; I880-W914 HydrophobicContact CD1-CG 4.27Å; I880-W914 HydrophobicContact CG1-CE3 4.07Å; I880-W914 HydrophobicContact CG2-CE3 3.91Å; I880-W914 HydrophobicContact CG2-CH2 4.19Å; I880-W914 HydrophobicContact CG2-CZ3 3.7Å; C882-W914 CarbonylContact C-O 3.41Å; G883-W914 PolarHBondContact N-O 3.34Å; F891-W914 HydrophobicContact CB-CH2 3.97Å; F891-W914 HydrophobicContact CB-CZ3 4.31Å; F891-W914 HydrophobicContact CD1-CH2 4.5Å; F891-W914 AromaticContact CD2-CH2 3.58Å; F891-W914 HydrophobicContact CD2-CH2 3.58Å; F891-W914 AromaticContact CD2-CZ3 3.79Å; F891-W914 HydrophobicContact CD2-CZ3 3.79Å; F891-W914 HydrophobicContact CE2-CH2 4.22Å; F891-W914 AromaticContact CG-CH2 3.77Å; F891-W914 HydrophobicContact CG-CH2 3.77Å; F891-W914 HydrophobicContact CG-CZ3 4.28Å; L908-W914 HydrophobicContact CD1-CD2 4.48Å; L908-W914 HydrophobicContact CD1-CZ2 3.98Å; V911-W914 HydrophobicContact CG1-CB 4.44Å; V911-W914 WeakPolarHBondContact O-CB 3.5Å; V911-W914 PolarHBondContact O-N 2.75Å; W914-C916 HydrophobicContact CE3-CB 4.37Å; W914-C916 HydrophobicContact CH2-CB 3.49Å; W914-C916 VanDerWaalsContact CH2-CB 3.49Å; W914-C916 HydrophobicContact CZ2-CB 4.04Å; W914-C916 HydrophobicContact CZ3-CB 3.67Å; W914-Y917 HydrophobicContact CZ2-CD2 4.27Å; W914-Y917 AromaticContact CZ2-CE2 3.87Å; W914-Y917 HydrophobicContact CZ2-CE2 3.87Å
915I94.2Very high91.7Very high50 Ų5060.9 Ų60.926%0.25634%0.339SS..PPolyproline II helixtrans-93.6123176.4-49.8-58000109.9H884 P913 C919 Q920H884-I915 HydrophobicContact CB-CD1 3.87Å; H884-I915 HydrophobicContact CB-CG2 4.41Å; P913-I915 HydrophobicContact CB-CD1 4.49Å; I915-C919 HydrophobicContact CG2-CB 3.68Å; I915-Q920 HydrophobicContact CB-CG 4.32Å; I915-Q920 HydrophobicContact CG2-CG 4.05Å; I915-Q920 PolarHBondContact O-NE2 3.37Å
916C94.4Very high91.5Very high0 Ų063.3 Ų63.30%037%0.365CS..PPolyproline II helixtrans-74.8161.5-176.6830000114.3C882 F891 W914 L918 C919 Q920C882-C916 HydrophobicContact CB-CB 3.93Å; C882-C916 PolarHBondContact SG-N 3.36Å; C882-C916 PolarHBondContact SG-SG 3.12Å; F891-C916 HydrophobicContact CD2-CB 3.96Å; F891-C916 HydrophobicContact CE2-CB 3.4Å; F891-C916 VanDerWaalsContact CE2-CB 3.4Å; F891-C916 HydrophobicContact CZ-CB 4.02Å; W914-C916 HydrophobicContact CE3-CB 4.37Å; W914-C916 HydrophobicContact CH2-CB 3.49Å; W914-C916 VanDerWaalsContact CH2-CB 3.49Å; W914-C916 HydrophobicContact CZ2-CB 4.04Å; W914-C916 HydrophobicContact CZ3-CB 3.67Å; C916-L918 PolarHBondContact O-N 3.13Å; C916-C919 WeakPolarHBondContact O-CA 3.4Å; C916-C919 PolarHBondContact O-N 3.5Å; C916-Q920 PolarHBondContact O-N 2.97Å
917Y94.2Very high91.4Very high12 Ų1259.9 Ų59.95%0.04735%0.347CS..THydrogen-bonded Turntrans-66.6-5.3-174.4-48.9-65.2000116.3L896 V900 W914 H925 L928 P930L896-Y917 HydrophobicContact CD2-CE2 3.57Å; V900-Y917 HydrophobicContact CG2-CE2 3.88Å; W914-Y917 HydrophobicContact CZ2-CD2 4.27Å; W914-Y917 AromaticContact CZ2-CE2 3.87Å; W914-Y917 HydrophobicContact CZ2-CE2 3.87Å; Y917-H925 HydrophobicContact CD1-CB 4.27Å; Y917-H925 AromaticContact CD1-CD2 3.38Å; Y917-H925 WeakPolarHBondContact CD1-CD2 3.42Å; Y917-H925 AromaticContact CD1-CE1 3.61Å; Y917-H925 AromaticContact CD1-CG 3.56Å; Y917-H925 AromaticContact CD1-ND1 3.71Å; Y917-H925 AromaticContact CD1-NE2 3.4Å; Y917-H925 WeakPolarHBondContact CD1-NE2 3.33Å; Y917-H925 HydrophobicContact CE1-CB 4.18Å; Y917-H925 AromaticContact CE1-CD2 3.98Å; Y917-H925 AromaticContact CE1-CE1 3.74Å; Y917-H925 AromaticContact CE1-CG 3.66Å; Y917-H925 AromaticContact CE1-ND1 3.52Å; Y917-L928 HydrophobicContact CD2-CD2 3.45Å; Y917-L928 VanDerWaalsContact CD2-CD2 3.45Å; Y917-L928 HydrophobicContact CE2-CD2 3.89Å; Y917-L928 HydrophobicContact CG-CD2 4.16Å; Y917-P930 VanDerWaalsContact O-CG 3.27Å; Y917-P930 WeakPolarHBondContact O-CG 3.46Å
918L92.3Very high91.4Very high21 Ų2156.8 Ų56.811%0.1133%0.326CS..THydrogen-bonded Turntrans-97.7-5.2169.9-69169.9000112.9L841 F842 T871 C916 P930 W934L841-L918 HydrophobicContact CB-CD1 4.35Å; L841-L918 HydrophobicContact CD1-CD1 4.24Å; F842-L918 HydrophobicContact CE1-CD2 4.15Å; F842-L918 HydrophobicContact CE1-CG 4.17Å; F842-L918 HydrophobicContact CE2-CD1 4.07Å; F842-L918 HydrophobicContact CE2-CG 4.43Å; F842-L918 HydrophobicContact CZ-CD1 3.78Å; F842-L918 HydrophobicContact CZ-CD2 4.02Å; F842-L918 HydrophobicContact CZ-CG 3.7Å; T871-L918 HydrophobicContact CG2-CD1 3.88Å; C916-L918 PolarHBondContact O-N 3.13Å; L918-P930 HydrophobicContact CD2-CB 4.26Å; L918-W934 HydrophobicContact CD2-CG 4.38Å
919C90.6Very high91.4Very high34 Ų3457 Ų5723%0.2333%0.328CS..THydrogen-bonded Turntrans-114-22.3173.9-68.20000113H884 C887 I915 C916H884-C919 HydrophobicContact CB-CB 4.41Å; C887-C919 PolarHBondContact SG-SG 3.39Å; I915-C919 HydrophobicContact CG2-CB 3.68Å; C916-C919 WeakPolarHBondContact O-CA 3.4Å; C916-C919 PolarHBondContact O-N 3.5Å
920Q89.9Confident91.5Very high53 Ų5352.7 Ų52.725%0.24831%0.309CS..SBendtrans-65.7160.3167.1-67.8-170.321.900111.7I915 C916 H925I915-Q920 HydrophobicContact CB-CG 4.32Å; I915-Q920 HydrophobicContact CG2-CG 4.05Å; I915-Q920 PolarHBondContact O-NE2 3.37Å; C916-Q920 PolarHBondContact O-N 2.97Å; Q920-H925 PolarHBondContact OE1-CE1 3.06Å; Q920-H925 VanDerWaalsContact OE1-CE1 3.31Å
921P84.1Confident91.6Very high105 Ų10547.7 Ų47.768%0.68228%0.277SS*.  trans-52.3144.7167.6-25.935.6000112.2Q923P921-Q923 PolarHBondContact O-N 3.19Å
922H87.1Confident91.5Very high91 Ų9151.4 Ų51.442%0.42129%0.29SS..SBendtrans-66.9107.3-174.6-174.495.7000111.8P930 E932H922-P930 PolarHBondContact CE1-O 3.37Å; H922-E932 IonicContact CD2-OE1 3.35Å; H922-E932 VanDerWaalsContact CE1-CG 3.49Å; H922-E932 WeakPolarHBondContact CE1-CG 3.43Å
923Q89.4Confident91.7Very high85 Ų8546.8 Ų46.840%0.39727%0.265SS..  trans-151.4156.717968.7-166.9-22.500110.9P921 H925 P930P921-Q923 PolarHBondContact O-N 3.19Å; Q923-H925 WeakPolarHBondContact CG-NE2 3.41Å; Q923-H925 PolarHBondContact NE2-CE1 3.48Å; Q923-H925 PolarHBondContact NE2-NE2 3.34Å; Q923-H925 PolarHBondContact O-CD2 2.95Å; Q923-H925 VanDerWaalsContact O-CD2 3.27Å; Q923-P930 WeakPolarHBondContact O-CD 3.34Å
924P90.4Very high91.7Very high93 Ų9344.4 Ų44.460%0.60425%0.246SC*.  trans-76.8136.5174.831.4-34.5000111.8V929P924-V929 HydrophobicContact CB-CG1 4.19Å; P924-V929 HydrophobicContact CB-CG2 3.81Å
925H92Very high91.4Very high29 Ų2947.8 Ų47.813%0.13426%0.258CS..BIsolated β-bridgetrans-121.985.3177.8-67-86.1000109.6V900 Y917 Q920 Q923 A927 L928V900-H925 WeakPolarHBondContact CA-O 3.49Å; V900-H925 HydrophobicContact CG1-CB 4.19Å; V900-H925 HydrophobicContact CG2-CB 4.3Å; Y917-H925 HydrophobicContact CD1-CB 4.27Å; Y917-H925 AromaticContact CD1-CD2 3.38Å; Y917-H925 WeakPolarHBondContact CD1-CD2 3.42Å; Y917-H925 AromaticContact CD1-CE1 3.61Å; Y917-H925 AromaticContact CD1-CG 3.56Å; Y917-H925 AromaticContact CD1-ND1 3.71Å; Y917-H925 AromaticContact CD1-NE2 3.4Å; Y917-H925 WeakPolarHBondContact CD1-NE2 3.33Å; Y917-H925 HydrophobicContact CE1-CB 4.18Å; Y917-H925 AromaticContact CE1-CD2 3.98Å; Y917-H925 AromaticContact CE1-CE1 3.74Å; Y917-H925 AromaticContact CE1-CG 3.66Å; Y917-H925 AromaticContact CE1-ND1 3.52Å; Q920-H925 PolarHBondContact OE1-CE1 3.06Å; Q920-H925 VanDerWaalsContact OE1-CE1 3.31Å; Q923-H925 WeakPolarHBondContact CG-NE2 3.41Å; Q923-H925 PolarHBondContact NE2-CE1 3.48Å; Q923-H925 PolarHBondContact NE2-NE2 3.34Å; Q923-H925 PolarHBondContact O-CD2 2.95Å; Q923-H925 VanDerWaalsContact O-CD2 3.27Å; H925-A927 PolarHBondContact O-N 3Å; H925-L928 PolarHBondContact N-O 3.05Å; H925-L928 WeakPolarHBondContact O-CB 3.37Å; H925-L928 PolarHBondContact O-N 3.46Å
926G91Very high91Very high52 Ų5251 Ų5154%0.53627%0.271SS..THydrogen-bonded Turntrans66.9-129-169.800000111L928G926-L928 VanDerWaalsContact C-N 3.33Å
927A91.4Very high90.8Very high7 Ų754.5 Ų54.56%0.05828%0.284CS..THydrogen-bonded Turntrans-76.7-17.3168.900000113.1I813 L817 I823 L899 H925 V929I813-A927 HydrophobicContact CG2-CB 3.83Å; L817-A927 HydrophobicContact CD1-CB 4.33Å; L817-A927 HydrophobicContact CD2-CB 4.19Å; L817-A927 HydrophobicContact CG-CB 4.5Å; I823-A927 HydrophobicContact CD1-CB 4.21Å; L899-A927 WeakPolarHBondContact O-CA 3.28Å; L899-A927 PolarHBondContact O-N 3.35Å; H925-A927 PolarHBondContact O-N 3Å; A927-V929 PolarHBondContact O-N 2.9Å
928L95.3Very high90.4Very high0 Ų054 Ų540%028%0.282CS..BIsolated β-bridgetrans-79.7101.6179.4-170.667.8000110.7F842 I872 L899 V900 Y917 H925 G926F842-L928 HydrophobicContact CB-CD1 4.2Å; F842-L928 HydrophobicContact CD1-CD1 3.4Å; F842-L928 VanDerWaalsContact CD1-CD1 3.4Å; F842-L928 HydrophobicContact CD1-CG 3.83Å; F842-L928 HydrophobicContact CD2-CD1 4.26Å; F842-L928 HydrophobicContact CE1-CD1 3.77Å; F842-L928 HydrophobicContact CE1-CD2 4.14Å; F842-L928 HydrophobicContact CE1-CG 3.92Å; F842-L928 HydrophobicContact CG-CD1 3.7Å; F842-L928 HydrophobicContact CZ-CD1 4.35Å; I872-L928 HydrophobicContact CD1-CD1 3.68Å; I872-L928 HydrophobicContact CD1-CD2 3.89Å; I872-L928 HydrophobicContact CD1-CG 4.48Å; I872-L928 HydrophobicContact CG1-CD1 4.29Å; L899-L928 HydrophobicContact CB-CB 3.95Å; L899-L928 HydrophobicContact CB-CD1 4.5Å; L899-L928 HydrophobicContact CD1-CD1 4.01Å; L899-L928 PolarHBondContact O-N 3.24Å; L899-L928 VanDerWaalsContact O-N 3.1Å; V900-L928 HydrophobicContact CG2-CB 4.01Å; V900-L928 HydrophobicContact CG2-CD2 3.87Å; Y917-L928 HydrophobicContact CD2-CD2 3.45Å; Y917-L928 VanDerWaalsContact CD2-CD2 3.45Å; Y917-L928 HydrophobicContact CE2-CD2 3.89Å; Y917-L928 HydrophobicContact CG-CD2 4.16Å; H925-L928 PolarHBondContact N-O 3.05Å; H925-L928 WeakPolarHBondContact O-CB 3.37Å; H925-L928 PolarHBondContact O-N 3.46Å; G926-L928 VanDerWaalsContact C-N 3.33Å
929V95Very high89.9Confident27 Ų2753.2 Ų53.216%0.16428%0.278CS..  trans-113.6118.3174.5-165.30000108.7F842 K843 P924 A927F842-V929 CarbonylContact C-O 3.56Å; F842-V929 VanDerWaalsContact CA-O 3.26Å; F842-V929 WeakPolarHBondContact CA-O 3.4Å; F842-V929 WeakPolarHBondContact CB-O 3.07Å; K843-V929 HydrophobicContact CB-CB 4.19Å; K843-V929 HydrophobicContact CD-CB 4Å; K843-V929 HydrophobicContact CD-CG1 3.97Å; K843-V929 HydrophobicContact CG-CB 4.05Å; K843-V929 HydrophobicContact CG-CG1 4.32Å; K843-V929 PolarHBondContact N-O 2.7Å; P924-V929 HydrophobicContact CB-CG1 4.19Å; P924-V929 HydrophobicContact CB-CG2 3.81Å; A927-V929 PolarHBondContact O-N 2.9Å
930P94.7Very high89.4Confident4 Ų458.5 Ų58.53%0.02630%0.299CS..BIsolated β-bridgetrans-55.7162.6169.3-23.934.6000111.6F842 Y917 L918 H922 Q923F842-P930 HydrophobicContact CD1-CB 4.38Å; F842-P930 HydrophobicContact CD1-CG 4.35Å; F842-P930 HydrophobicContact CE1-CB 4.45Å; F842-P930 HydrophobicContact CE1-CG 4.2Å; Y917-P930 VanDerWaalsContact O-CG 3.27Å; Y917-P930 WeakPolarHBondContact O-CG 3.46Å; L918-P930 HydrophobicContact CD2-CB 4.26Å; H922-P930 PolarHBondContact CE1-O 3.37Å; Q923-P930 WeakPolarHBondContact O-CD 3.34Å
931R93.6Very high89.1Confident19 Ų1958 Ų587%0.07230%0.297CS..  trans-98.2155.4163.2-58.7-171.8-171.8-85-2.2110.6E824 H839 L841 F842 K843 G844 D933 W934E824-R931 VanDerWaalsContact CD-NH2 3.29Å; E824-R931 IonicContact OE1-CZ 2.67Å; E824-R931 VanDerWaalsContact OE1-CZ 3.25Å; E824-R931 IonicContact OE1-NH1 2.91Å; E824-R931 PolarHBondContact OE1-NH1 3.46Å; E824-R931 IonicContact OE1-NH2 3.21Å; E824-R931 PolarHBondContact OE1-NH2 3.39Å; E824-R931 IonicContact OE2-CZ 3.83Å; E824-R931 IonicContact OE2-NH1 3.22Å; E824-R931 IonicContact OE2-NH2 2.9Å; E824-R931 PolarHBondContact OE2-NH2 3.24Å; H839-R931 PolarHBondContact O-NE 3.02Å; H839-R931 PolarHBondContact O-NH2 3.49Å; L841-R931 PolarHBondContact O-N 2.73Å; L841-R931 VanDerWaalsContact O-N 3.12Å; F842-R931 VanDerWaalsContact O-CZ 3.24Å; F842-R931 PolarHBondContact O-NE 2.88Å; F842-R931 PolarHBondContact O-NH2 3.24Å; K843-R931 HydrophobicContact CG-CG 4.41Å; G844-R931 PolarHBondContact O-NH2 2.97Å; R931-D933 WeakPolarHBondContact CB-OD1 3.09Å; R931-W934 HydrophobicContact CB-CB 4.27Å; R931-W934 VanDerWaalsContact O-CD1 3.3Å
932E89.8Confident88.7Confident150 Ų15053.4 Ų53.470%0.70127%0.267SS*.SBendtrans-81.1-36.9173.2-61.9-176.8155.800111.1H922 W934H922-E932 IonicContact CD2-OE1 3.35Å; H922-E932 VanDerWaalsContact CE1-CG 3.49Å; H922-E932 WeakPolarHBondContact CE1-CG 3.43Å; E932-W934 VanDerWaalsContact C-N 3.3Å; E932-W934 PolarHBondContact O-N 2.84Å
933D91Very high87.8Confident59 Ų5951.2 Ų51.232%0.31626%0.264SS..SBendtrans-85.18.4-179.264.2-3.7000114R931 R935 F936 R937R931-D933 WeakPolarHBondContact CB-OD1 3.09Å; D933-R935 PolarHBondContact O-N 3.36Å; D933-F936 PolarHBondContact O-N 3.01Å; D933-R937 PolarHBondContact O-N 3.04Å; D933-R937 VanDerWaalsContact O-N 3.16Å; D933-R937 WeakPolarHBondContact OD1-CD 3.12Å; D933-R937 IonicContact OD1-CZ 3.82Å; D933-R937 IonicContact OD1-NE 2.82Å; D933-R937 PolarHBondContact OD1-NE 2.93Å; D933-R937 IonicContact OD1-NH2 2.75Å; D933-R937 IonicContact OD2-CZ 2.98Å; D933-R937 IonicContact OD2-NE 3.86Å; D933-R937 PolarHBondContact OD2-NE 3.4Å; D933-R937 IonicContact OD2-NH2 3.36Å; D933-R937 PolarHBondContact OD2-NH2 3.02Å
934W90.8Very high86.1Confident30 Ų3050.7 Ų50.711%0.11426%0.264CS..Hα-helixtrans-52.7-37-173.777.2-101.8000113.6P840 L841 L918 R931 E932 F936 R937 V938P840-W934 WeakPolarHBondContact O-CA 3.27Å; L841-W934 HydrophobicContact CD2-CB 4.23Å; L841-W934 HydrophobicContact CD2-CD2 4.14Å; L841-W934 HydrophobicContact CD2-CE3 3.48Å; L841-W934 VanDerWaalsContact CD2-CE3 3.48Å; L841-W934 HydrophobicContact CD2-CZ3 4.19Å; L918-W934 HydrophobicContact CD2-CG 4.38Å; R931-W934 HydrophobicContact CB-CB 4.27Å; R931-W934 VanDerWaalsContact O-CD1 3.3Å; E932-W934 VanDerWaalsContact C-N 3.3Å; E932-W934 PolarHBondContact O-N 2.84Å; W934-F936 PolarHBondContact O-N 3.41Å; W934-R937 PolarHBondContact O-N 3.4Å; W934-V938 HydrophobicContact CE3-CG1 4.28Å; W934-V938 HydrophobicContact CZ3-CG1 4.45Å; W934-V938 WeakPolarHBondContact O-CG1 3.35Å; W934-V938 PolarHBondContact O-N 2.89Å; W934-V938 VanDerWaalsContact O-N 3.07Å
935R88.5Confident84.2Confident82 Ų8254.4 Ų54.431%0.30928%0.279SS..Hα-helixtrans-63.7-22.4-177.5-64.5-178.5-72.1147.4-3.7113.3D933 Q939 P957 S958D933-R935 PolarHBondContact O-N 3.36Å; R935-Q939 WeakPolarHBondContact O-CG 3.16Å; R935-P957 HydrophobicContact CB-CB 4.35Å; R935-S958 WeakPolarHBondContact CD-O 3.37Å; R935-S958 PolarHBondContact O-N 3.49Å; R935-S958 VanDerWaalsContact O-N 3.14Å; R935-S958 PolarHBondContact O-OG 3.03Å
936F86.8Confident82Confident119 Ų11955.2 Ų55.252%0.52229%0.288SS..Hα-helixtrans-96-50.2175.3-59.7-87.9000111D933 W934 V938 Q939 E940 P957D933-F936 PolarHBondContact O-N 3.01Å; W934-F936 PolarHBondContact O-N 3.41Å; F936-V938 VanDerWaalsContact C-N 3.27Å; F936-V938 PolarHBondContact O-N 3.14Å; F936-Q939 WeakPolarHBondContact O-CA 3.43Å; F936-Q939 PolarHBondContact O-N 2.87Å; F936-E940 PolarHBondContact O-N 2.78Å; F936-P957 HydrophobicContact CD1-CB 3.87Å; F936-P957 HydrophobicContact CD1-CG 4.5Å; F936-P957 HydrophobicContact CE1-CB 3.63Å; F936-P957 HydrophobicContact CE1-CG 3.84Å; F936-P957 HydrophobicContact CE2-CB 4.43Å; F936-P957 HydrophobicContact CG-CB 4.38Å; F936-P957 HydrophobicContact CZ-CB 3.93Å; F936-P957 HydrophobicContact CZ-CG 4.14Å
937R88.3Confident79.6Confident72 Ų7257.5 Ų57.527%0.27230%0.302SS..Hα-helixtrans-54.2-40.5-179.5-71.1-174-175.5-104.6-13.8113.6P840 D933 W934 Q939 E940 M941P840-R937 HydrophobicContact CB-CB 3.96Å; D933-R937 PolarHBondContact O-N 3.04Å; D933-R937 VanDerWaalsContact O-N 3.16Å; D933-R937 WeakPolarHBondContact OD1-CD 3.12Å; D933-R937 IonicContact OD1-CZ 3.82Å; D933-R937 IonicContact OD1-NE 2.82Å; D933-R937 PolarHBondContact OD1-NE 2.93Å; D933-R937 IonicContact OD1-NH2 2.75Å; D933-R937 IonicContact OD2-CZ 2.98Å; D933-R937 IonicContact OD2-NE 3.86Å; D933-R937 PolarHBondContact OD2-NE 3.4Å; D933-R937 IonicContact OD2-NH2 3.36Å; D933-R937 PolarHBondContact OD2-NH2 3.02Å; W934-R937 PolarHBondContact O-N 3.4Å; R937-Q939 PolarHBondContact O-N 3.3Å; R937-E940 PolarHBondContact O-N 2.75Å; R937-M941 WeakPolarHBondContact O-CB 3.25Å; R937-M941 PolarHBondContact O-N 2.64Å; R937-M941 VanDerWaalsContact O-N 3.07Å
938V86.6Confident77.3Confident2 Ų261.6 Ų61.61%0.01232%0.321CS..Hα-helixtrans-63.2-33177.971.30000111.6P840 L841 L858 W934 F936 F942 S958P840-V938 HydrophobicContact CB-CB 4.22Å; L841-V938 HydrophobicContact CD2-CB 4.16Å; L841-V938 HydrophobicContact CD2-CG2 4.29Å; L858-V938 HydrophobicContact CD2-CG2 3.61Å; W934-V938 HydrophobicContact CE3-CG1 4.28Å; W934-V938 HydrophobicContact CZ3-CG1 4.45Å; W934-V938 WeakPolarHBondContact O-CG1 3.35Å; W934-V938 PolarHBondContact O-N 2.89Å; W934-V938 VanDerWaalsContact O-N 3.07Å; F936-V938 VanDerWaalsContact C-N 3.27Å; F936-V938 PolarHBondContact O-N 3.14Å; V938-F942 HydrophobicContact CG2-CE2 4.35Å; V938-F942 WeakPolarHBondContact O-CD2 3.19Å; V938-S958 WeakPolarHBondContact CG1-OG 3.39Å
939Q81.3Confident75.2Confident4 Ų469.9 Ų69.92%0.01936%0.36CS..Hα-helixtrans-83.6-36-179.6-55-56.8-18.900112.2Y859 R935 F936 R937 M941 F942 A943 V955 S958 Y1242Y859-Q939 PolarHBondContact OH-NE2 2.97Å; R935-Q939 WeakPolarHBondContact O-CG 3.16Å; F936-Q939 WeakPolarHBondContact O-CA 3.43Å; F936-Q939 PolarHBondContact O-N 2.87Å; R937-Q939 PolarHBondContact O-N 3.3Å; Q939-M941 VanDerWaalsContact C-N 3.31Å; Q939-M941 PolarHBondContact O-N 2.84Å; Q939-F942 CarbonylContact O-C 3.48Å; Q939-F942 PolarHBondContact O-N 3.19Å; Q939-F942 VanDerWaalsContact O-N 3.07Å; Q939-A943 PolarHBondContact O-N 3.24Å; Q939-V955 HydrophobicContact CB-CG1 3.52Å; Q939-V955 HydrophobicContact CG-CG1 4.47Å; Q939-S958 PolarHBondContact NE2-OG 3.38Å; Q939-Y1242 PolarHBondContact NE2-OH 2.94Å; Q939-Y1242 VanDerWaalsContact NE2-OH 3.14Å; Q939-Y1242 PolarHBondContact OE1-OH 3.39Å
940E80.4Confident73.4Confident146 Ų14671.1 Ų71.168%0.68236%0.363SS*.Hα-helixtrans-56.6-44.3169.5-177.3-177.3-156.700111.5F936 R937 F942 A943F936-E940 PolarHBondContact O-N 2.78Å; R937-E940 PolarHBondContact O-N 2.75Å; E940-F942 PolarHBondContact O-N 2.89Å; E940-F942 VanDerWaalsContact O-N 3.16Å; E940-A943 VanDerWaalsContact O-CB 3.31Å; E940-A943 WeakPolarHBondContact O-CB 3.32Å; E940-A943 PolarHBondContact O-N 2.97Å
941M83Confident71.6Confident41 Ų4179.4 Ų79.420%0.20240%0.401CS..THydrogen-bonded Turntrans-60.3-24.3176-168.3-16173.300113.4I837 P840 F854 R937 Q939I837-M941 HydrophobicContact CD1-CG 3.96Å; I837-M941 HydrophobicContact CD1-SD 4.04Å; P840-M941 HydrophobicContact CG-SD 4Å; F854-M941 HydrophobicContact CD1-CE 3.7Å; F854-M941 HydrophobicContact CD1-SD 3.75Å; F854-M941 HydrophobicContact CE1-CE 3.81Å; F854-M941 HydrophobicContact CE1-SD 3.92Å; R937-M941 WeakPolarHBondContact O-CB 3.25Å; R937-M941 PolarHBondContact O-N 2.64Å; R937-M941 VanDerWaalsContact O-N 3.07Å; Q939-M941 VanDerWaalsContact C-N 3.31Å; Q939-M941 PolarHBondContact O-N 2.84Å
942F77.4Confident70Confident9 Ų984.3 Ų84.34%0.03944%0.436CS..THydrogen-bonded Turntrans-1067.9177.2-73-63.2000113.9T855 L858 Y859 V938 Q939 E940 P1132 R1136T855-F942 HydrophobicContact CG2-CD1 4.33Å; T855-F942 HydrophobicContact CG2-CE1 3.76Å; L858-F942 HydrophobicContact CD2-CE2 3.89Å; L858-F942 HydrophobicContact CD2-CZ 4.39Å; Y859-F942 HydrophobicContact CD2-CE1 4.48Å; Y859-F942 AromaticContact CD2-CE2 3.96Å; Y859-F942 HydrophobicContact CD2-CE2 3.96Å; Y859-F942 AromaticContact CD2-CZ 3.92Å; Y859-F942 HydrophobicContact CD2-CZ 3.92Å; Y859-F942 AromaticContact CE2-CD2 3.51Å; Y859-F942 HydrophobicContact CE2-CD2 3.51Å; Y859-F942 HydrophobicContact CE2-CE1 4.28Å; Y859-F942 AromaticContact CE2-CE2 3.19Å; Y859-F942 HydrophobicContact CE2-CE2 3.19Å; Y859-F942 HydrophobicContact CE2-CG 4.21Å; Y859-F942 AromaticContact CE2-CZ 3.63Å; Y859-F942 HydrophobicContact CE2-CZ 3.63Å; Y859-F942 AromaticContact CZ-CD2 3.98Å; Y859-F942 AromaticContact CZ-CE2 3.67Å; V938-F942 HydrophobicContact CG2-CE2 4.35Å; V938-F942 WeakPolarHBondContact O-CD2 3.19Å; Q939-F942 CarbonylContact O-C 3.48Å; Q939-F942 PolarHBondContact O-N 3.19Å; Q939-F942 VanDerWaalsContact O-N 3.07Å; E940-F942 PolarHBondContact O-N 2.89Å; E940-F942 VanDerWaalsContact O-N 3.16Å; F942-P1132 HydrophobicContact CB-CB 4.45Å; F942-R1136 HydrophobicContact CE1-CB 4.45Å
943A66.8Low69Low45 Ų4579.5 Ų79.537%0.37241%0.413SS..SBendtrans-68143.6178.700000111.5Q939 E940 N945Q939-A943 PolarHBondContact O-N 3.24Å; E940-A943 VanDerWaalsContact O-CB 3.31Å; E940-A943 WeakPolarHBondContact O-CB 3.32Å; E940-A943 PolarHBondContact O-N 2.97Å; A943-N945 PolarHBondContact O-N 3.28Å
944N53.8Low68.3Low74 Ų7481.4 Ų81.440%0.39642%0.416SS..  trans-75.997.8-175.8-85.5-30.8000111.8S946N944-S946 PolarHBondContact O-N 3.35Å
945N49.8Very low67.8Low171 Ų17183.9 Ų83.991%0.91443%0.434SS*.  trans-64.682.9161.1-79-29.1000110.1A943A943-N945 PolarHBondContact O-N 3.28Å
946S45.8Very low67.7Low46 Ų4680.7 Ų80.732%0.32242%0.422SS..  trans-77.7140-175.9150.80000111.8N944 M948 N1109N944-S946 PolarHBondContact O-N 3.35Å; S946-M948 PolarHBondContact O-N 3.09Å; S946-M948 PolarHBondContact OG-N 3.09Å; S946-M948 PolarHBondContact OG-O 2.87Å; S946-N1109 PolarHBondContact OG-ND2 3.39Å
947A42.1Very low67.8Low101 Ų10177.2 Ų77.284%0.83541%0.412SS*.SBendtrans-79.912.7-178.900000114.4
948M43Very low67.7Low92 Ų9273.8 Ų73.845%0.45340%0.399SS..SBendtrans-137.2147.6170.7-66.7-17966.200108.3S946 F950S946-M948 PolarHBondContact O-N 3.09Å; S946-M948 PolarHBondContact OG-N 3.09Å; S946-M948 PolarHBondContact OG-O 2.87Å; M948-F950 VanDerWaalsContact C-N 3.27Å; M948-F950 HydrophobicContact CB-CD2 3.95Å; M948-F950 HydrophobicContact CB-CE2 3.74Å; M948-F950 HydrophobicContact CB-CZ 4.33Å; M948-F950 HydrophobicContact CE-CE2 4.41Å; M948-F950 HydrophobicContact CE-CZ 3.99Å; M948-F950 HydrophobicContact CG-CE2 4.4Å; M948-F950 PolarHBondContact O-N 3.28Å; M948-F950 HydrophobicContact SD-CE2 4Å; M948-F950 HydrophobicContact SD-CZ 4.08Å
949E49.9Very low67.9Low175 Ų17574.8 Ų74.882%0.81841%0.405SS*.  trans-67.382.4172.3-71.9177.5-155.300110.3K357K357-E949 IonicContact NZ-OE2 3.8Å; K357-E949 PolarHBondContact NZ-OE2 2.85Å
950F58.8Low68.2Low52 Ų5276.8 Ų76.823%0.22842%0.418CS..  trans-107.2145.4162-63.1-61.6000108.5M948 E1107M948-F950 VanDerWaalsContact C-N 3.27Å; M948-F950 HydrophobicContact CB-CD2 3.95Å; M948-F950 HydrophobicContact CB-CE2 3.74Å; M948-F950 HydrophobicContact CB-CZ 4.33Å; M948-F950 HydrophobicContact CE-CE2 4.41Å; M948-F950 HydrophobicContact CE-CZ 3.99Å; M948-F950 HydrophobicContact CG-CE2 4.4Å; M948-F950 PolarHBondContact O-N 3.28Å; M948-F950 HydrophobicContact SD-CE2 4Å; M948-F950 HydrophobicContact SD-CZ 4.08Å; F950-E1107 WeakPolarHBondContact CB-O 3.07Å
951E55.4Low68.4Low178 Ų17871 Ų7183%0.83239%0.393SS*.PPolyproline II helixtrans-62.4132.4172.9-68.9-171.3166.300110.3H953E951-H953 PolarHBondContact O-N 2.82Å
952P59.9Low68.4Low123 Ų12373.7 Ų73.780%0.79942%0.422SS*.PPolyproline II helixtrans-58.9124.5176.5-24.534.4000111.3
953H69Low69Low48 Ų4880.1 Ų80.122%0.22245%0.453CS..PPolyproline II helixtrans-54145.1171.8-62.9-25.9000111.2E951 V955 W1086 C1108 N1130E951-H953 PolarHBondContact O-N 2.82Å; H953-V955 PolarHBondContact O-N 2.9Å; H953-W1086 AromaticContact NE2-CZ2 3.58Å; H953-C1108 WeakPolarHBondContact NE2-CB 3.36Å; H953-N1130 HydrophobicContact CB-CB 4.28Å
954R76.6Confident70.2Confident100 Ų10079.3 Ų79.338%0.37744%0.441SS..  trans-46.2111.6175.8-175.4177.9-171.3160.710.9111Y956 G1078 D1080R954-Y956 HydrophobicContact CG-CD1 4.43Å; R954-Y956 HydrophobicContact CG-CE1 3.97Å; R954-Y956 WeakPolarHBondContact O-CE2 3.32Å; R954-G1078 PolarHBondContact NH1-O 3.29Å; R954-G1078 PolarHBondContact NH2-O 3.11Å; R954-D1080 PolarHBondContact NH1-O 2.77Å
955V80.1Confident72.1Confident81 Ų8180.4 Ų80.449%0.49144%0.439SS..PPolyproline II helixtrans-82.4120.1175.2-179.10000108.3Q939 H953Q939-V955 HydrophobicContact CB-CG1 3.52Å; Q939-V955 HydrophobicContact CG-CG1 4.47Å; H953-V955 PolarHBondContact O-N 2.9Å
956Y87.1Confident74.2Confident15 Ų1574.6 Ų74.66%0.05941%0.411CS..PPolyproline II helixtrans-90.3129.4177.8-58.3-81000110.2R954 R1082 P1083 F1084 F1085 Y1242R954-Y956 HydrophobicContact CG-CD1 4.43Å; R954-Y956 HydrophobicContact CG-CE1 3.97Å; R954-Y956 WeakPolarHBondContact O-CE2 3.32Å; Y956-R1082 VanDerWaalsContact CE1-O 3.23Å; Y956-R1082 WeakPolarHBondContact CE1-O 3.38Å; Y956-P1083 HydrophobicContact CD1-CB 4.35Å; Y956-P1083 HydrophobicContact CG-CB 4.14Å; Y956-F1084 WeakPolarHBondContact CE2-O 3.25Å; Y956-F1085 HydrophobicContact CD2-CE1 4.1Å; Y956-F1085 HydrophobicContact CD2-CZ 4.17Å; Y956-Y1242 WeakPolarHBondContact O-CE1 3.46Å; Y956-Y1242 PolarHBondContact O-OH 2.88Å
957P87.8Confident76.6Confident46 Ų4672.4 Ų72.430%0.29940%0.396SS..PPolyproline II helixtrans-66.7151.4175.228.2-34000111.5R935 F936 V959 Y1242R935-P957 HydrophobicContact CB-CB 4.35Å; F936-P957 HydrophobicContact CD1-CB 3.87Å; F936-P957 HydrophobicContact CD1-CG 4.5Å; F936-P957 HydrophobicContact CE1-CB 3.63Å; F936-P957 HydrophobicContact CE1-CG 3.84Å; F936-P957 HydrophobicContact CE2-CB 4.43Å; F936-P957 HydrophobicContact CG-CB 4.38Å; F936-P957 HydrophobicContact CZ-CB 3.93Å; F936-P957 HydrophobicContact CZ-CG 4.14Å; P957-V959 PolarHBondContact O-N 3.28Å; P957-Y1242 VanDerWaalsContact O-CE1 3.26Å; P957-Y1242 WeakPolarHBondContact O-CE1 3.39Å
958S87.3Confident79.3Confident1 Ų169.3 Ų69.31%0.00736%0.362CS..PPolyproline II helixtrans-58.7132.6178.4-45.60000111R935 V938 Q939R935-S958 WeakPolarHBondContact CD-O 3.37Å; R935-S958 PolarHBondContact O-N 3.49Å; R935-S958 VanDerWaalsContact O-N 3.14Å; R935-S958 PolarHBondContact O-OG 3.03Å; V938-S958 WeakPolarHBondContact CG1-OG 3.39Å; Q939-S958 PolarHBondContact NE2-OG 3.38Å
959V90.1Very high81.9Confident23 Ų2364.9 Ų64.914%0.13934%0.341CS..PPolyproline II helixtrans-81.8129.4-172.5-179.20000110.2P957 M963 R964 P1083 E1241 Y1242P957-V959 PolarHBondContact O-N 3.28Å; V959-M963 HydrophobicContact CG1-CB 3.85Å; V959-R964 HydrophobicContact CB-CG 4.16Å; V959-R964 HydrophobicContact CG1-CG 3.94Å; V959-R964 PolarHBondContact O-NE 3.49Å; V959-R964 PolarHBondContact O-NH2 3.07Å; V959-P1083 HydrophobicContact CG2-CG 3.99Å; V959-E1241 PolarHBondContact N-O 3.03Å; V959-Y1242 HydrophobicContact CG2-CD1 3.84Å; V959-Y1242 HydrophobicContact CG2-CG 4.44Å
960P87Confident84.2Confident46 Ų4656.6 Ų56.630%0.29930%0.302SS..PPolyproline II helixtrans-57.1142.2173.5-24.134.8000111.6A962 M963 R964P960-A962 PolarHBondContact O-N 3.24Å; P960-M963 HydrophobicContact CB-SD 4.2Å; P960-M963 HydrophobicContact CG-SD 3.96Å; P960-M963 WeakPolarHBondContact O-CA 3.14Å; P960-M963 WeakPolarHBondContact O-CB 3.3Å; P960-M963 PolarHBondContact O-N 3.11Å; P960-R964 PolarHBondContact O-N 3.33Å
961T85.4Confident86.1Confident25 Ų2554.1 Ų54.115%0.15329%0.291CS..G310 helixtrans-56.8-45.7-165.5-32.50000113.8D885 G886 C887 M963 R964D885-T961 WeakPolarHBondContact O-CG2 3.35Å; G886-T961 VanDerWaalsContact O-CG2 3.29Å; G886-T961 WeakPolarHBondContact O-CG2 3.49Å; C887-T961 HydrophobicContact CB-CG2 4.25Å; T961-M963 PolarHBondContact O-N 3.46Å; T961-M963 VanDerWaalsContact O-N 3.1Å; T961-R964 WeakPolarHBondContact O-CB 3.22Å; T961-R964 PolarHBondContact O-N 3.2Å; T961-R964 VanDerWaalsContact O-N 3.09Å
962A83.9Confident88.2Confident97 Ų9745.7 Ų45.780%0.80225%0.252SS*.G310 helixtrans-68.1-4.9177.300000115.1P960P960-A962 PolarHBondContact O-N 3.24Å
963M88.9Confident89.9Confident143 Ų14341.5 Ų41.570%0.70422%0.221SC*.G310 helixtrans-108.4-2.6175.3-64.2173.9174.800112.6V959 P960 T961 R965V959-M963 HydrophobicContact CG1-CB 3.85Å; P960-M963 HydrophobicContact CB-SD 4.2Å; P960-M963 HydrophobicContact CG-SD 3.96Å; P960-M963 WeakPolarHBondContact O-CA 3.14Å; P960-M963 WeakPolarHBondContact O-CB 3.3Å; P960-M963 PolarHBondContact O-N 3.11Å; T961-M963 PolarHBondContact O-N 3.46Å; T961-M963 VanDerWaalsContact O-N 3.1Å; M963-R965 PolarHBondContact O-N 3.04Å
964R92.4Very high91.3Very high29 Ų2939.8 Ų39.811%0.10921%0.214CC..  trans-70.7122177.9-66.8178.9-175.4-178.9-9.3109.1G886 V959 P960 T961 K1240 E1241 A1244G886-R964 PolarHBondContact O-NH1 2.85Å; G886-R964 VanDerWaalsContact O-NH1 3.15Å; V959-R964 HydrophobicContact CB-CG 4.16Å; V959-R964 HydrophobicContact CG1-CG 3.94Å; V959-R964 PolarHBondContact O-NE 3.49Å; V959-R964 PolarHBondContact O-NH2 3.07Å; P960-R964 PolarHBondContact O-N 3.33Å; T961-R964 WeakPolarHBondContact O-CB 3.22Å; T961-R964 PolarHBondContact O-N 3.2Å; T961-R964 VanDerWaalsContact O-N 3.09Å; R964-K1240 PolarHBondContact NH1-O 3.41Å; R964-K1240 VanDerWaalsContact NH1-O 3.11Å; R964-E1241 IonicContact CZ-OE2 3.28Å; R964-E1241 PolarHBondContact NE-O 3.21Å; R964-E1241 IonicContact NH1-OE2 2.7Å; R964-E1241 PolarHBondContact NH2-O 3.41Å; R964-E1241 VanDerWaalsContact NH2-O 3.08Å; R964-E1241 IonicContact NH2-OE2 2.79Å; R964-E1241 PolarHBondContact NH2-OE2 3.16Å; R964-A1244 HydrophobicContact CB-CB 4.44Å
965R93Very high92.2Very high96 Ų9635.8 Ų35.836%0.36220%0.203SC..BIsolated β-bridgetrans-104.7162.2175.767.5153.1175.8-98.9-2.8111.8M963 R968 D1035 R1082 F1243 A1244M963-R965 PolarHBondContact O-N 3.04Å; R965-R968 VanDerWaalsContact NH2-NH2 3.13Å; R965-D1035 IonicContact CZ-OD1 3.79Å; R965-D1035 IonicContact CZ-OD2 2.95Å; R965-D1035 IonicContact NE-OD2 2.74Å; R965-D1035 PolarHBondContact NE-OD2 3.15Å; R965-D1035 IonicContact NH2-OD1 3.86Å; R965-D1035 PolarHBondContact NH2-OD1 3.31Å; R965-D1035 IonicContact NH2-OD2 2.77Å; R965-D1035 PolarHBondContact NH2-OD2 2.93Å; R965-R1082 VanDerWaalsContact NH2-CD 3.31Å; R965-R1082 VanDerWaalsContact NH2-CG 3.3Å; R965-F1243 WeakPolarHBondContact O-CA 3.33Å; R965-A1244 PolarHBondContact O-N 3.28Å
966P95.4Very high93Very high49 Ų4932.1 Ų32.132%0.31818%0.181SC..  trans-49.4150.2166.5-31.839.5000113.8K989 E991P966-K989 CarbonylContact C-O 3.59Å; P966-K989 WeakPolarHBondContact CA-O 3.41Å; P966-K989 HydrophobicContact CB-CB 4.18Å; P966-K989 WeakPolarHBondContact CB-O 3.48Å; P966-K989 HydrophobicContact CG-CB 4.17Å; P966-E991 HydrophobicContact CB-CB 3.78Å
967L96.3Very high93.5Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-86.1140.7-178.9-178.465.8000111.4V969 L983 K989 V990 E991 D1035 L1036 F1243L967-V969 HydrophobicContact CD2-CG2 3.75Å; L967-V969 HydrophobicContact CG-CG2 3.73Å; L967-L983 HydrophobicContact CD2-CD1 3.92Å; L967-L983 HydrophobicContact CD2-CD2 3.59Å; L967-L983 HydrophobicContact CD2-CG 4.38Å; L967-K989 PolarHBondContact N-O 2.75Å; L967-V990 CarbonylContact O-C 3.55Å; L967-V990 WeakPolarHBondContact O-CA 3.43Å; L967-E991 PolarHBondContact O-N 3.21Å; L967-D1035 HydrophobicContact CD1-CB 4.21Å; L967-L1036 HydrophobicContact CD1-CB 3.97Å; L967-L1036 HydrophobicContact CD2-CD2 4.11Å; L967-F1243 HydrophobicContact CB-CB 4.27Å; L967-F1243 HydrophobicContact CB-CD1 4.29Å; L967-F1243 HydrophobicContact CB-CG 4.22Å; L967-F1243 HydrophobicContact CD1-CD1 3.76Å; L967-F1243 HydrophobicContact CD1-CD2 3.76Å; L967-F1243 HydrophobicContact CD1-CE1 3.76Å; L967-F1243 HydrophobicContact CD1-CE2 3.74Å; L967-F1243 HydrophobicContact CD1-CG 3.77Å; L967-F1243 HydrophobicContact CD1-CZ 3.75Å
968R97.6Very high93.9Very high36 Ų3629.4 Ų29.414%0.13617%0.165CC..EExtended strand (participates in β ladder)trans-121.8123.5173.5-62.2169.6-62178.212.1110.1R965 E991 K992 P1033 D1035 L1036R965-R968 VanDerWaalsContact NH2-NH2 3.13Å; R968-E991 VanDerWaalsContact CD-CD 3.49Å; R968-E991 VanDerWaalsContact CD-OE1 3.28Å; R968-E991 WeakPolarHBondContact CD-OE1 3.28Å; R968-E991 WeakPolarHBondContact CD-OE2 3.38Å; R968-E991 HydrophobicContact CG-CB 3.96Å; R968-E991 HydrophobicContact CG-CG 4.26Å; R968-K992 CarbonylContact C-O 3.59Å; R968-K992 WeakPolarHBondContact CA-O 3.35Å; R968-K992 HydrophobicContact CG-CB 4.29Å; R968-P1033 PolarHBondContact NE-O 3.27Å; R968-P1033 PolarHBondContact NH2-O 3.34Å; R968-D1035 IonicContact CZ-OD1 2.88Å; R968-D1035 IonicContact CZ-OD2 3.66Å; R968-D1035 VanDerWaalsContact CZ-OD2 3.28Å; R968-D1035 IonicContact NE-OD2 3.51Å; R968-D1035 PolarHBondContact NE-OD2 2.81Å; R968-D1035 IonicContact NH2-OD1 2.92Å; R968-D1035 PolarHBondContact NH2-OD1 3.41Å; R968-D1035 IonicContact NH2-OD2 3.89Å; R968-D1035 PolarHBondContact NH2-OD2 3.4Å; R968-D1035 PolarHBondContact O-N 3.35Å; R968-L1036 PolarHBondContact O-N 3.13Å; R968-L1036 VanDerWaalsContact O-N 3.1Å
969V98.4Very high94.4Very high0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-122.4135.9-167.5-1690000111.4L967 L983 K992 Y993 V994 F1034 L1036 I1038L967-V969 HydrophobicContact CD2-CG2 3.75Å; L967-V969 HydrophobicContact CG-CG2 3.73Å; V969-L983 HydrophobicContact CG2-CD1 3.76Å; V969-K992 PolarHBondContact N-O 3.36Å; V969-Y993 HydrophobicContact CB-CD2 3.54Å; V969-Y993 HydrophobicContact CB-CE2 4.03Å; V969-Y993 HydrophobicContact CB-CG 4.23Å; V969-Y993 HydrophobicContact CG1-CD2 3.78Å; V969-Y993 HydrophobicContact CG1-CE2 3.7Å; V969-Y993 HydrophobicContact CG2-CD2 3.92Å; V969-Y993 HydrophobicContact CG2-CE2 4.43Å; V969-Y993 WeakPolarHBondContact O-CA 3.31Å; V969-V994 PolarHBondContact O-N 3.34Å; V969-F1034 WeakPolarHBondContact O-CD1 3.45Å; V969-F1034 WeakPolarHBondContact O-CE1 3.22Å; V969-L1036 WeakPolarHBondContact CA-O 3.44Å; V969-L1036 HydrophobicContact CG1-CB 4.43Å; V969-L1036 HydrophobicContact CG1-CD2 4.17Å; V969-L1036 HydrophobicContact CG1-CG 4.22Å; V969-L1036 HydrophobicContact CG2-CB 4.35Å; V969-L1036 HydrophobicContact CG2-CD2 4.21Å; V969-I1038 HydrophobicContact CG1-CD1 4.09Å; V969-I1038 HydrophobicContact CG1-CG1 4.24Å
970L98.5Very high94.8Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-109.6121.1160.5-178.859.6000108.7L972 V994 L1028 F1034 L1036 L1037 I1038 I1070 L1074L970-L972 HydrophobicContact CD1-CD2 4.05Å; L970-L972 HydrophobicContact CD2-CD2 4.17Å; L970-L972 HydrophobicContact CG-CD2 3.9Å; L970-L972 HydrophobicContact CG-CG 4.41Å; L970-V994 WeakPolarHBondContact CA-O 3.1Å; L970-V994 HydrophobicContact CD1-CB 3.85Å; L970-V994 HydrophobicContact CD1-CG1 3.71Å; L970-L1028 HydrophobicContact CD2-CD2 3.57Å; L970-F1034 HydrophobicContact CB-CB 4.31Å; L970-F1034 HydrophobicContact CB-CD1 3.73Å; L970-F1034 HydrophobicContact CB-CD2 3.96Å; L970-F1034 HydrophobicContact CB-CE1 3.91Å; L970-F1034 HydrophobicContact CB-CE2 4.15Å; L970-F1034 HydrophobicContact CB-CG 3.72Å; L970-F1034 HydrophobicContact CB-CZ 4.11Å; L970-F1034 HydrophobicContact CD1-CZ 4.25Å; L970-F1034 HydrophobicContact CD2-CD2 4.22Å; L970-F1034 HydrophobicContact CD2-CE2 4.11Å; L970-L1036 PolarHBondContact N-O 3.48Å; L970-L1037 HydrophobicContact CB-CD1 4.05Å; L970-L1037 HydrophobicContact CD2-CD1 3.99Å; L970-L1037 HydrophobicContact CG-CD1 3.97Å; L970-L1037 WeakPolarHBondContact O-CA 3.47Å; L970-I1038 PolarHBondContact O-N 3.38Å; L970-I1070 HydrophobicContact CD2-CG2 3.65Å; L970-L1074 HydrophobicContact CD2-CD1 3.8Å
971S98.4Very high95.3Very high1 Ų127.9 Ų27.91%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-110.2125.2176.1-171.90000110.1D974 Y993 V994 A995 S996 I1038S971-D974 WeakPolarHBondContact CB-OD1 3.3Å; S971-D974 WeakPolarHBondContact OG-CB 3.38Å; S971-D974 PolarHBondContact OG-OD1 2.77Å; S971-Y993 PolarHBondContact OG-OH 2.7Å; S971-V994 PolarHBondContact N-O 3.09Å; S971-A995 CarbonylContact O-C 3.56Å; S971-A995 WeakPolarHBondContact O-CA 3.46Å; S971-S996 PolarHBondContact O-N 3.07Å; S971-I1038 CarbonylContact C-O 3.39Å; S971-I1038 WeakPolarHBondContact CA-O 3.46Å
972L98.3Very high95.8Very high0 Ų026.7 Ų26.70%015%0.145CC..EExtended strand (participates in β ladder)trans-111.5129.9180-55.9-175.9000109.5L970 D974 V1020 I1023 L1037 I1038 G1039 F1067 I1070L970-L972 HydrophobicContact CD1-CD2 4.05Å; L970-L972 HydrophobicContact CD2-CD2 4.17Å; L970-L972 HydrophobicContact CG-CD2 3.9Å; L970-L972 HydrophobicContact CG-CG 4.41Å; L972-D974 VanDerWaalsContact C-N 3.32Å; L972-V1020 HydrophobicContact CD1-CG2 4.13Å; L972-V1020 HydrophobicContact CD2-CG2 4Å; L972-V1020 HydrophobicContact CG-CG2 4.49Å; L972-I1023 HydrophobicContact CD2-CD1 4.06Å; L972-L1037 HydrophobicContact CD1-CD1 3.92Å; L972-L1037 HydrophobicContact CG-CD1 4.02Å; L972-I1038 PolarHBondContact N-O 3.18Å; L972-G1039 WeakPolarHBondContact O-CA 3.25Å; L972-F1067 HydrophobicContact CB-CD2 4.48Å; L972-F1067 HydrophobicContact CD1-CB 4.46Å; L972-F1067 HydrophobicContact CD1-CD2 3.97Å; L972-I1070 HydrophobicContact CD1-CB 4.08Å; L972-I1070 HydrophobicContact CD1-CD1 3.73Å; L972-I1070 HydrophobicContact CD1-CG2 4.09Å; L972-I1070 HydrophobicContact CD2-CD1 4.14Å
973F97.4Very high96.3Very high36 Ų3622.1 Ų22.116%0.15811%0.107CC..SBendtrans60.942.7-170.8-34.4-72.7000111.4G975 S996 V1020 G1040 L1063 F1067F973-G975 PolarHBondContact O-N 3.15Å; F973-S996 WeakPolarHBondContact CA-O 3.36Å; F973-S996 PolarHBondContact N-O 3.09Å; F973-V1020 HydrophobicContact CE1-CB 4.33Å; F973-V1020 HydrophobicContact CE1-CG1 3.7Å; F973-V1020 HydrophobicContact CZ-CB 4.45Å; F973-V1020 HydrophobicContact CZ-CG1 3.88Å; F973-V1020 HydrophobicContact CZ-CG2 4.48Å; F973-G1040 WeakPolarHBondContact CB-O 3.39Å; F973-L1063 HydrophobicContact CE1-CB 3.85Å; F973-L1063 HydrophobicContact CE1-CD1 4.12Å; F973-L1063 HydrophobicContact CE1-CD2 4.32Å; F973-L1063 HydrophobicContact CE1-CG 4.32Å; F973-L1063 HydrophobicContact CZ-CB 3.74Å; F973-L1063 WeakPolarHBondContact CZ-O 3.43Å; F973-F1067 HydrophobicContact CE2-CB 4.45Å
974D96.9Very high96.5Very high12 Ų1220.3 Ų20.36%0.06410%0.095CC..  trans-58.4-25-167-174.258.7000114.7S971 L972 I976 G977 Y993 A995 S996S971-D974 WeakPolarHBondContact CB-OD1 3.3Å; S971-D974 WeakPolarHBondContact OG-CB 3.38Å; S971-D974 PolarHBondContact OG-OD1 2.77Å; L972-D974 VanDerWaalsContact C-N 3.32Å; D974-I976 PolarHBondContact O-N 3.47Å; D974-G977 PolarHBondContact O-N 2.7Å; D974-G977 WeakPolarHBondContact OD2-CA 3.34Å; D974-Y993 WeakPolarHBondContact OD1-CE1 3.28Å; D974-Y993 PolarHBondContact OD1-OH 3.15Å; D974-A995 HydrophobicContact CB-CB 3.88Å; D974-S996 PolarHBondContact N-O 2.93Å; D974-S996 VanDerWaalsContact N-O 3.14Å
975G95.9Very high96.4Very high16 Ų1622.3 Ų22.317%0.16511%0.105CC..THydrogen-bonded Turntrans60.8-131.6-177.900000111F973 G977 E997 S1002F973-G975 PolarHBondContact O-N 3.15Å; G975-G977 PolarHBondContact O-N 3.28Å; G975-G977 VanDerWaalsContact O-N 3.17Å; G975-E997 VanDerWaalsContact CA-OE2 3.25Å; G975-E997 WeakPolarHBondContact CA-OE2 3.37Å; G975-E997 PolarHBondContact N-OE2 3.25Å; G975-S1002 WeakPolarHBondContact O-CB 3.11Å
976I97Very high96.3Very high3 Ų318.4 Ų18.42%0.0159%0.092CC..THydrogen-bonded Turntrans-83.931.3-177.960.7176.8000113.6D974 T978 V1005 F1204 Y1208 T1209 L1222 L1223 A1226D974-I976 PolarHBondContact O-N 3.47Å; I976-T978 PolarHBondContact O-N 3.4Å; I976-V1005 HydrophobicContact CB-CB 4.31Å; I976-V1005 HydrophobicContact CB-CG1 3.72Å; I976-V1005 HydrophobicContact CG2-CB 3.99Å; I976-V1005 HydrophobicContact CG2-CG1 3.82Å; I976-V1005 HydrophobicContact CG2-CG2 4.45Å; I976-F1204 HydrophobicContact CD1-CE1 3.95Å; I976-F1204 HydrophobicContact CD1-CE2 4.08Å; I976-F1204 HydrophobicContact CD1-CZ 3.68Å; I976-F1204 HydrophobicContact CG1-CE1 4.26Å; I976-F1204 HydrophobicContact CG1-CZ 4.11Å; I976-Y1208 HydrophobicContact CB-CE1 4.1Å; I976-Y1208 HydrophobicContact CD1-CD1 4.2Å; I976-Y1208 HydrophobicContact CD1-CE1 3.98Å; I976-Y1208 HydrophobicContact CG1-CE1 4.07Å; I976-Y1208 VanDerWaalsContact O-CE1 3.31Å; I976-Y1208 WeakPolarHBondContact O-CE1 3.23Å; I976-Y1208 PolarHBondContact O-OH 3.02Å; I976-T1209 HydrophobicContact CD1-CG2 4.11Å; I976-L1222 HydrophobicContact CG2-CB 3.91Å; I976-L1222 HydrophobicContact CG2-CD1 3.89Å; I976-L1222 HydrophobicContact CG2-CD2 4.35Å; I976-L1222 HydrophobicContact CG2-CG 4.28Å; I976-L1223 HydrophobicContact CD1-CD2 4.31Å; I976-A1226 HydrophobicContact CD1-CB 3.66Å; I976-A1226 HydrophobicContact CG1-CB 3.89Å
977G96.6Very high96.2Very high0 Ų016.2 Ų16.20%08%0.079CC..THydrogen-bonded Turntrans67.730.1175.300000115.1D974 G975 G979 Y980 L981D974-G977 PolarHBondContact O-N 2.7Å; D974-G977 WeakPolarHBondContact OD2-CA 3.34Å; G975-G977 PolarHBondContact O-N 3.28Å; G975-G977 VanDerWaalsContact O-N 3.17Å; G977-G979 VanDerWaalsContact C-N 3.28Å; G977-G979 PolarHBondContact O-N 2.97Å; G977-Y980 PolarHBondContact O-N 2.78Å; G977-L981 PolarHBondContact O-N 3.33Å
978T98.1Very high96.1Very high4 Ų416.5 Ų16.53%0.0258%0.08CC..Hα-helixtrans-62.9-34.6-173.6-400000112.4I976 V982 F1204 W1227 V1229I976-T978 PolarHBondContact O-N 3.4Å; T978-V982 WeakPolarHBondContact O-CG2 3.46Å; T978-V982 PolarHBondContact O-N 2.88Å; T978-V982 VanDerWaalsContact O-N 3.17Å; T978-F1204 HydrophobicContact CG2-CE1 3.9Å; T978-F1204 HydrophobicContact CG2-CZ 3.64Å; T978-W1227 HydrophobicContact CG2-CB 4.03Å; T978-V1229 HydrophobicContact CG2-CG2 4.23Å
979G97.5Very high95.9Very high1 Ų117.9 Ų17.91%0.019%0.087CC..Hα-helixtrans-63.9-48.3176.900000112.1G977 V982 L983 Y993G977-G979 VanDerWaalsContact C-N 3.28Å; G977-G979 PolarHBondContact O-N 2.97Å; G979-V982 PolarHBondContact O-N 3.14Å; G979-L983 VanDerWaalsContact O-CG 3.29Å; G979-L983 WeakPolarHBondContact O-CG 3.44Å; G979-L983 PolarHBondContact O-N 2.96Å; G979-Y993 WeakPolarHBondContact CA-OH 3.47Å
980Y97.6Very high95.8Very high25 Ų2519.6 Ų19.610%0.09810%0.097CC..Hα-helixtrans-63-42.6177.6-169.6-88.6000112.3G977 V982 L983 K984 V990 Y993 H1010 K1013 I1014G977-Y980 PolarHBondContact O-N 2.78Å; Y980-V982 PolarHBondContact O-N 3.22Å; Y980-L983 PolarHBondContact O-N 3.06Å; Y980-K984 HydrophobicContact CE1-CD 4.49Å; Y980-K984 WeakPolarHBondContact O-CB 3.23Å; Y980-K984 PolarHBondContact O-N 3.21Å; Y980-V990 HydrophobicContact CD2-CG1 4.42Å; Y980-V990 HydrophobicContact CE2-CB 4.23Å; Y980-V990 HydrophobicContact CE2-CG1 4.02Å; Y980-Y993 HydrophobicContact CD2-CD1 4.34Å; Y980-Y993 AromaticContact CD2-CD2 3.65Å; Y980-Y993 HydrophobicContact CD2-CD2 3.65Å; Y980-Y993 HydrophobicContact CD2-CE2 4.27Å; Y980-Y993 AromaticContact CD2-CG 3.68Å; Y980-Y993 HydrophobicContact CD2-CG 3.68Å; Y980-Y993 HydrophobicContact CG-CD2 4.33Å; Y980-Y993 HydrophobicContact CG-CG 4.46Å; Y980-Y993 PolarHBondContact N-OH 2.89Å; Y980-Y993 VanDerWaalsContact N-OH 3.16Å; Y980-H1010 HydrophobicContact CD1-CB 3.8Å; Y980-H1010 AromaticContact CD1-CD2 3.98Å; Y980-H1010 AromaticContact CD1-CE1 3.89Å; Y980-H1010 AromaticContact CD1-CG 3.42Å; Y980-H1010 VanDerWaalsContact CD1-CG 3.42Å; Y980-H1010 AromaticContact CD1-ND1 3.37Å; Y980-H1010 WeakPolarHBondContact CD1-ND1 3.32Å; Y980-H1010 HydrophobicContact CE1-CB 3.81Å; Y980-H1010 AromaticContact CE1-CG 3.86Å; Y980-H1010 AromaticContact CE1-ND1 3.75Å; Y980-K1013 WeakPolarHBondContact OH-CD 3.39Å; Y980-I1014 HydrophobicContact CD1-CD1 4.46Å; Y980-I1014 HydrophobicContact CD2-CG1 4.19Å; Y980-I1014 HydrophobicContact CG-CD1 4.09Å; Y980-I1014 HydrophobicContact CG-CG1 4.1Å
981L96.8Very high95.6Very high13 Ų1324.6 Ų24.67%0.06812%0.12CC..Hα-helixtrans-54.3-50.4174.9174.763.4000111.6G977 L983 K984 E985 F1204 P1205 Y1208 V1229G977-L981 PolarHBondContact O-N 3.33Å; L981-L983 PolarHBondContact O-N 3.19Å; L981-K984 WeakPolarHBondContact O-CB 3.46Å; L981-K984 PolarHBondContact O-N 2.96Å; L981-E985 HydrophobicContact CD1-CG 4.4Å; L981-E985 WeakPolarHBondContact O-CG 3.28Å; L981-E985 PolarHBondContact O-N 3.41Å; L981-F1204 HydrophobicContact CD2-CD1 3.49Å; L981-F1204 VanDerWaalsContact CD2-CD1 3.49Å; L981-F1204 HydrophobicContact CD2-CE1 3.79Å; L981-P1205 HydrophobicContact CD1-CG 4.48Å; L981-Y1208 HydrophobicContact CD1-CE2 4.3Å; L981-Y1208 HydrophobicContact CD2-CD2 4.43Å; L981-Y1208 HydrophobicContact CD2-CE2 3.89Å; L981-V1229 HydrophobicContact CD2-CG1 4.45Å; L981-V1229 HydrophobicContact CD2-CG2 4.11Å
982V95.9Very high95.5Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-67.9-35.7-178.8170.40000112.4T978 G979 Y980 K984 E985 L986 V1229 I1232 R1233 F1236T978-V982 WeakPolarHBondContact O-CG2 3.46Å; T978-V982 PolarHBondContact O-N 2.88Å; T978-V982 VanDerWaalsContact O-N 3.17Å; G979-V982 PolarHBondContact O-N 3.14Å; Y980-V982 PolarHBondContact O-N 3.22Å; V982-K984 VanDerWaalsContact C-N 3.3Å; V982-K984 PolarHBondContact O-N 3.17Å; V982-E985 PolarHBondContact O-N 3.3Å; V982-L986 HydrophobicContact CG1-CD1 3.9Å; V982-L986 HydrophobicContact CG1-CG 4.44Å; V982-L986 WeakPolarHBondContact O-CB 3.3Å; V982-L986 WeakPolarHBondContact O-CG 3.43Å; V982-L986 PolarHBondContact O-N 3.16Å; V982-V1229 HydrophobicContact CG2-CB 4.44Å; V982-V1229 HydrophobicContact CG2-CG1 3.65Å; V982-I1232 HydrophobicContact CB-CG2 4.17Å; V982-I1232 HydrophobicContact CG1-CG2 4.08Å; V982-I1232 HydrophobicContact CG2-CB 4.11Å; V982-I1232 HydrophobicContact CG2-CG2 4.13Å; V982-R1233 VanDerWaalsContact CG1-CA 3.47Å; V982-R1233 HydrophobicContact CG1-CB 4.01Å; V982-R1233 HydrophobicContact CG1-CG 4.36Å; V982-F1236 HydrophobicContact CB-CD2 4.34Å; V982-F1236 HydrophobicContact CG1-CB 4.37Å; V982-F1236 HydrophobicContact CG1-CD2 3.83Å; V982-F1236 HydrophobicContact CG1-CG 4.45Å
983L95.9Very high95.5Very high0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-64.6-37.9174.9-69.6169.2000111.5L967 V969 G979 Y980 L981 G987 F988 V990 Y993 F1236L967-L983 HydrophobicContact CD2-CD1 3.92Å; L967-L983 HydrophobicContact CD2-CD2 3.59Å; L967-L983 HydrophobicContact CD2-CG 4.38Å; V969-L983 HydrophobicContact CG2-CD1 3.76Å; G979-L983 VanDerWaalsContact O-CG 3.29Å; G979-L983 WeakPolarHBondContact O-CG 3.44Å; G979-L983 PolarHBondContact O-N 2.96Å; Y980-L983 PolarHBondContact O-N 3.06Å; L981-L983 PolarHBondContact O-N 3.19Å; L983-G987 PolarHBondContact O-N 2.97Å; L983-F988 HydrophobicContact CB-CB 4.43Å; L983-F988 HydrophobicContact CB-CD2 4.35Å; L983-F988 HydrophobicContact CD2-CB 4.48Å; L983-F988 HydrophobicContact CD2-CD2 3.54Å; L983-F988 HydrophobicContact CD2-CE2 3.95Å; L983-F988 HydrophobicContact CD2-CG 4.13Å; L983-F988 PolarHBondContact O-N 2.71Å; L983-V990 HydrophobicContact CB-CG2 4.07Å; L983-V990 HydrophobicContact CD1-CG2 4.35Å; L983-Y993 HydrophobicContact CD1-CD2 4.33Å; L983-Y993 HydrophobicContact CD1-CE2 4.15Å; L983-F1236 HydrophobicContact CD1-CE2 4.49Å; L983-F1236 HydrophobicContact CD2-CD2 3.72Å; L983-F1236 HydrophobicContact CD2-CE2 4.2Å; L983-F1236 HydrophobicContact CD2-CG 4.46Å; L983-F1236 HydrophobicContact CG-CD2 3.94Å; L983-F1236 HydrophobicContact CG-CE2 4.05Å
984K93.1Very high95.5Very high106 Ų10625.8 Ų25.846%0.46113%0.125SC..Hα-helixtrans-67.1-43.7172.9-173-177.2-180-178.80112.1Y980 L981 V982 L986 G987Y980-K984 HydrophobicContact CE1-CD 4.49Å; Y980-K984 WeakPolarHBondContact O-CB 3.23Å; Y980-K984 PolarHBondContact O-N 3.21Å; L981-K984 WeakPolarHBondContact O-CB 3.46Å; L981-K984 PolarHBondContact O-N 2.96Å; V982-K984 VanDerWaalsContact C-N 3.3Å; V982-K984 PolarHBondContact O-N 3.17Å; K984-L986 VanDerWaalsContact C-N 3.32Å; K984-L986 PolarHBondContact O-N 3.4Å; K984-G987 PolarHBondContact O-N 3.1Å
985E90.4Very high95.6Very high70 Ų7025.2 Ų25.233%0.32712%0.122SC..Hα-helixtrans-61.7-37174.7-75.3-179-173.900112.9L981 V982 G987 V1229 R1233L981-E985 HydrophobicContact CD1-CG 4.4Å; L981-E985 WeakPolarHBondContact O-CG 3.28Å; L981-E985 PolarHBondContact O-N 3.41Å; V982-E985 PolarHBondContact O-N 3.3Å; E985-G987 PolarHBondContact O-N 2.96Å; E985-V1229 WeakPolarHBondContact OE1-CG1 3.44Å; E985-V1229 WeakPolarHBondContact OE2-CG1 3.49Å; E985-R1233 IonicContact OE1-NH2 3.28Å; E985-R1233 IonicContact OE2-CZ 2.66Å; E985-R1233 IonicContact OE2-NE 2.99Å; E985-R1233 PolarHBondContact OE2-NE 3.39Å; E985-R1233 IonicContact OE2-NH2 3.73Å; E985-R1233 PolarHBondContact OE2-NH2 3.09Å
986L91Very high95.7Very high14 Ų1424.5 Ų24.57%0.07312%0.115CC..THydrogen-bonded Turntrans-78.1-4.7174.6-71.7170.2000112.9V982 K984 F988 R1233 F1236 A1237 K1240V982-L986 HydrophobicContact CG1-CD1 3.9Å; V982-L986 HydrophobicContact CG1-CG 4.44Å; V982-L986 WeakPolarHBondContact O-CB 3.3Å; V982-L986 WeakPolarHBondContact O-CG 3.43Å; V982-L986 PolarHBondContact O-N 3.16Å; K984-L986 VanDerWaalsContact C-N 3.32Å; K984-L986 PolarHBondContact O-N 3.4Å; L986-F988 HydrophobicContact CB-CD2 3.69Å; L986-F988 HydrophobicContact CB-CE2 3.61Å; L986-F988 HydrophobicContact CD1-CE2 3.85Å; L986-F988 HydrophobicContact CG-CE2 4.36Å; L986-R1233 HydrophobicContact CD1-CG 4.33Å; L986-R1233 HydrophobicContact CD2-CG 3.85Å; L986-R1233 HydrophobicContact CG-CG 4.03Å; L986-F1236 HydrophobicContact CD1-CB 3.71Å; L986-A1237 HydrophobicContact CD2-CB 4.43Å; L986-K1240 WeakPolarHBondContact O-CE 3.48Å; L986-K1240 PolarHBondContact O-NZ 2.95Å
987G91.9Very high95.7Very high4 Ų425.7 Ų25.74%0.04112%0.12CC..THydrogen-bonded Turntrans75.924178.100000114.9L983 K984 E985 C1245 D1246L983-G987 PolarHBondContact O-N 2.97Å; K984-G987 PolarHBondContact O-N 3.1Å; E985-G987 PolarHBondContact O-N 2.96Å; G987-C1245 CarbonylContact O-C 3.58Å; G987-C1245 WeakPolarHBondContact O-CA 3.36Å; G987-C1245 WeakPolarHBondContact O-CB 3.25Å; G987-D1246 PolarHBondContact O-N 2.96Å
988F93.9Very high95.7Very high6 Ų630.3 Ų30.33%0.02615%0.148CC..BIsolated β-bridgetrans-71.4133.6177.9-74.1-78.2000112.4L983 L986 V990 L1239 K1240 F1243L983-F988 HydrophobicContact CB-CB 4.43Å; L983-F988 HydrophobicContact CB-CD2 4.35Å; L983-F988 HydrophobicContact CD2-CB 4.48Å; L983-F988 HydrophobicContact CD2-CD2 3.54Å; L983-F988 HydrophobicContact CD2-CE2 3.95Å; L983-F988 HydrophobicContact CD2-CG 4.13Å; L983-F988 PolarHBondContact O-N 2.71Å; L986-F988 HydrophobicContact CB-CD2 3.69Å; L986-F988 HydrophobicContact CB-CE2 3.61Å; L986-F988 HydrophobicContact CD1-CE2 3.85Å; L986-F988 HydrophobicContact CG-CE2 4.36Å; F988-V990 HydrophobicContact CB-CG2 4.29Å; F988-V990 PolarHBondContact O-N 2.88Å; F988-L1239 HydrophobicContact CE1-CB 4.06Å; F988-L1239 HydrophobicContact CZ-CB 3.67Å; F988-K1240 HydrophobicContact CE1-CG 4.04Å; F988-K1240 HydrophobicContact CE2-CG 4.37Å; F988-K1240 HydrophobicContact CZ-CB 4.38Å; F988-K1240 HydrophobicContact CZ-CG 3.67Å; F988-F1243 HydrophobicContact CD1-CB 4.16Å; F988-F1243 HydrophobicContact CE1-CB 4.23Å
989K94.1Very high95.6Very high64 Ų6431.8 Ų31.828%0.27816%0.159SC..  trans-68.5101.1165.1-79.3163.8174.5146.90108.3P966 L967 A1244 C1245 D1246P966-K989 CarbonylContact C-O 3.59Å; P966-K989 WeakPolarHBondContact CA-O 3.41Å; P966-K989 HydrophobicContact CB-CB 4.18Å; P966-K989 WeakPolarHBondContact CB-O 3.48Å; P966-K989 HydrophobicContact CG-CB 4.17Å; L967-K989 PolarHBondContact N-O 2.75Å; K989-A1244 HydrophobicContact CB-CB 4.24Å; K989-A1244 HydrophobicContact CD-CB 3.9Å; K989-A1244 PolarHBondContact N-O 3.31Å; K989-C1245 VanDerWaalsContact CD-O 3.31Å; K989-C1245 WeakPolarHBondContact CD-O 3.49Å; K989-C1245 WeakPolarHBondContact CE-O 3.39Å; K989-C1245 PolarHBondContact NZ-O 2.94Å; K989-D1246 WeakPolarHBondContact CE-OD1 3.47Å; K989-D1246 HydrophobicContact CG-CB 4.43Å; K989-D1246 VanDerWaalsContact CG-CG 3.45Å; K989-D1246 WeakPolarHBondContact CG-OD1 3.26Å
990V95.6Very high95.5Very high36 Ų3637.8 Ų37.822%0.21819%0.186CC..EExtended strand (participates in β ladder)trans-95.4108.5177.9-1790000109.9L967 Y980 L983 F988L967-V990 CarbonylContact O-C 3.55Å; L967-V990 WeakPolarHBondContact O-CA 3.43Å; Y980-V990 HydrophobicContact CD2-CG1 4.42Å; Y980-V990 HydrophobicContact CE2-CB 4.23Å; Y980-V990 HydrophobicContact CE2-CG1 4.02Å; L983-V990 HydrophobicContact CB-CG2 4.07Å; L983-V990 HydrophobicContact CD1-CG2 4.35Å; F988-V990 HydrophobicContact CB-CG2 4.29Å; F988-V990 PolarHBondContact O-N 2.88Å
991E95.5Very high95.4Very high105 Ų10538.3 Ų38.349%0.49119%0.191SC..EExtended strand (participates in β ladder)trans-69.4-40.3175.6176.3-163.7134.400111.3P966 L967 R968P966-E991 HydrophobicContact CB-CB 3.78Å; L967-E991 PolarHBondContact O-N 3.21Å; R968-E991 VanDerWaalsContact CD-CD 3.49Å; R968-E991 VanDerWaalsContact CD-OE1 3.28Å; R968-E991 WeakPolarHBondContact CD-OE1 3.28Å; R968-E991 WeakPolarHBondContact CD-OE2 3.38Å; R968-E991 HydrophobicContact CG-CB 3.96Å; R968-E991 HydrophobicContact CG-CG 4.26Å
992K95.7Very high95.3Very high61 Ų6137.8 Ų37.827%0.26519%0.188SC..EExtended strand (participates in β ladder)trans-153.7131.5-174-160.1175.8-59.1-177.80111.2R968 V969 V994 I1015 W1031R968-K992 CarbonylContact C-O 3.59Å; R968-K992 WeakPolarHBondContact CA-O 3.35Å; R968-K992 HydrophobicContact CG-CB 4.29Å; V969-K992 PolarHBondContact N-O 3.36Å; K992-V994 HydrophobicContact CD-CG2 4.24Å; K992-V994 HydrophobicContact CG-CG2 4.14Å; K992-I1015 HydrophobicContact CD-CD1 4.33Å; K992-I1015 HydrophobicContact CG-CD1 3.89Å; K992-W1031 WeakPolarHBondContact CD-O 3.35Å; K992-W1031 PolarHBondContact NZ-O 2.86Å
993Y98.1Very high95.4Very high1 Ų139.5 Ų39.50%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-128.7110.9171.2-166.2-80.8000108.3V969 S971 D974 G979 Y980 L983 A995 I1014 I1015 I1038V969-Y993 HydrophobicContact CB-CD2 3.54Å; V969-Y993 HydrophobicContact CB-CE2 4.03Å; V969-Y993 HydrophobicContact CB-CG 4.23Å; V969-Y993 HydrophobicContact CG1-CD2 3.78Å; V969-Y993 HydrophobicContact CG1-CE2 3.7Å; V969-Y993 HydrophobicContact CG2-CD2 3.92Å; V969-Y993 HydrophobicContact CG2-CE2 4.43Å; V969-Y993 WeakPolarHBondContact O-CA 3.31Å; S971-Y993 PolarHBondContact OG-OH 2.7Å; D974-Y993 WeakPolarHBondContact OD1-CE1 3.28Å; D974-Y993 PolarHBondContact OD1-OH 3.15Å; G979-Y993 WeakPolarHBondContact CA-OH 3.47Å; Y980-Y993 HydrophobicContact CD2-CD1 4.34Å; Y980-Y993 AromaticContact CD2-CD2 3.65Å; Y980-Y993 HydrophobicContact CD2-CD2 3.65Å; Y980-Y993 HydrophobicContact CD2-CE2 4.27Å; Y980-Y993 AromaticContact CD2-CG 3.68Å; Y980-Y993 HydrophobicContact CD2-CG 3.68Å; Y980-Y993 HydrophobicContact CG-CD2 4.33Å; Y980-Y993 HydrophobicContact CG-CG 4.46Å; Y980-Y993 PolarHBondContact N-OH 2.89Å; Y980-Y993 VanDerWaalsContact N-OH 3.16Å; L983-Y993 HydrophobicContact CD1-CD2 4.33Å; L983-Y993 HydrophobicContact CD1-CE2 4.15Å; Y993-A995 HydrophobicContact CD1-CB 4.35Å; Y993-A995 HydrophobicContact CE1-CB 4.16Å; Y993-I1014 HydrophobicContact CD1-CB 4.38Å; Y993-I1014 HydrophobicContact CD1-CD1 4.39Å; Y993-I1014 HydrophobicContact CD1-CG1 3.88Å; Y993-I1014 HydrophobicContact CD1-CG2 3.93Å; Y993-I1014 HydrophobicContact CE1-CD1 4.34Å; Y993-I1014 HydrophobicContact CE1-CG1 4.33Å; Y993-I1014 HydrophobicContact CE1-CG2 4.31Å; Y993-I1015 PolarHBondContact O-N 3.29Å; Y993-I1038 HydrophobicContact CE2-CD1 4.47Å
994V98.3Very high95.4Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-102.3132.3177.1179.40000108.3V969 L970 S971 K992 I1015 V1017 W1031 F1034V969-V994 PolarHBondContact O-N 3.34Å; L970-V994 WeakPolarHBondContact CA-O 3.1Å; L970-V994 HydrophobicContact CD1-CB 3.85Å; L970-V994 HydrophobicContact CD1-CG1 3.71Å; S971-V994 PolarHBondContact N-O 3.09Å; K992-V994 HydrophobicContact CD-CG2 4.24Å; K992-V994 HydrophobicContact CG-CG2 4.14Å; V994-I1015 CarbonylContact C-O 3.51Å; V994-I1015 WeakPolarHBondContact CA-O 3.33Å; V994-I1015 HydrophobicContact CG2-CB 4.22Å; V994-I1015 HydrophobicContact CG2-CD1 4.36Å; V994-V1017 HydrophobicContact CG1-CB 4.42Å; V994-V1017 HydrophobicContact CG1-CG1 3.56Å; V994-V1017 HydrophobicContact CG1-CG2 3.95Å; V994-W1031 HydrophobicContact CG1-CD2 4.21Å; V994-W1031 HydrophobicContact CG1-CE3 3.94Å; V994-W1031 HydrophobicContact CG1-CZ3 4.14Å; V994-W1031 HydrophobicContact CG2-CB 4.46Å; V994-W1031 HydrophobicContact CG2-CG 4.47Å; V994-F1034 HydrophobicContact CB-CE1 3.87Å; V994-F1034 HydrophobicContact CB-CZ 3.97Å; V994-F1034 HydrophobicContact CG1-CZ 4.5Å; V994-F1034 HydrophobicContact CG2-CE1 3.67Å; V994-F1034 HydrophobicContact CG2-CZ 3.78Å
995A98.1Very high95.5Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-129121.7-171.700000112.6S971 D974 Y993 I1014 I1015 H1016 V1017S971-A995 CarbonylContact O-C 3.56Å; S971-A995 WeakPolarHBondContact O-CA 3.46Å; D974-A995 HydrophobicContact CB-CB 3.88Å; Y993-A995 HydrophobicContact CD1-CB 4.35Å; Y993-A995 HydrophobicContact CE1-CB 4.16Å; A995-I1014 HydrophobicContact CB-CG2 3.39Å; A995-I1015 PolarHBondContact N-O 2.84Å; A995-H1016 CarbonylContact O-C 3.56Å; A995-H1016 WeakPolarHBondContact O-CA 3.25Å; A995-V1017 PolarHBondContact O-N 2.99Å
996S98.3Very high95.7Very high2 Ų231.7 Ų31.71%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-93.2117.9168.3178.60000110.4S971 F973 D974 G1018 V1020S971-S996 PolarHBondContact O-N 3.07Å; F973-S996 WeakPolarHBondContact CA-O 3.36Å; F973-S996 PolarHBondContact N-O 3.09Å; D974-S996 PolarHBondContact N-O 2.93Å; D974-S996 VanDerWaalsContact N-O 3.14Å; S996-G1018 WeakPolarHBondContact CA-O 3.3Å; S996-G1018 WeakPolarHBondContact CB-O 3.21Å; S996-G1018 PolarHBondContact OG-O 3.03Å; S996-V1020 WeakPolarHBondContact OG-CA 3.48Å; S996-V1020 WeakPolarHBondContact OG-CB 3.24Å; S996-V1020 PolarHBondContact OG-N 3.39Å
997E97.4Very high95.9Very high27 Ų2733.5 Ų33.513%0.12618%0.177CC..  trans-156.9147.1174.4173.359.2-80.300108G975 C999 S1002 V1003 G1018G975-E997 VanDerWaalsContact CA-OE2 3.25Å; G975-E997 WeakPolarHBondContact CA-OE2 3.37Å; G975-E997 PolarHBondContact N-OE2 3.25Å; E997-C999 HydrophobicContact CG-CB 4.38Å; E997-C999 WeakPolarHBondContact OE1-CB 3.36Å; E997-C999 PolarHBondContact OE1-N 2.96Å; E997-S1002 VanDerWaalsContact OE2-CB 3.31Å; E997-S1002 WeakPolarHBondContact OE2-CB 3.44Å; E997-S1002 PolarHBondContact OE2-OG 2.82Å; E997-V1003 HydrophobicContact CB-CG2 4.1Å; E997-V1003 HydrophobicContact CG-CG2 3.83Å; E997-G1018 PolarHBondContact N-O 3.34Å; E997-G1018 CarbonylContact O-C 3.57Å; E997-G1018 WeakPolarHBondContact O-CA 3.43Å
998V96.6Very high96Very high97 Ų9738.2 Ų38.259%0.58820%0.201SC*.  trans-116.9-12.2-177.8-62.10000112.8E1000 D1019V998-E1000 PolarHBondContact O-N 3.5Å; V998-D1019 HydrophobicContact CG1-CB 3.62Å
999C94.9Very high95.9Very high36 Ų3640.2 Ų40.224%0.24321%0.212CC..  trans-84.1108.6177.3-169.50000110.6E997 D1001 S1002 V1003E997-C999 HydrophobicContact CG-CB 4.38Å; E997-C999 WeakPolarHBondContact OE1-CB 3.36Å; E997-C999 PolarHBondContact OE1-N 2.96Å; C999-D1001 PolarHBondContact O-N 2.86Å; C999-S1002 WeakPolarHBondContact O-CA 3.42Å; C999-S1002 VanDerWaalsContact O-CB 3.26Å; C999-S1002 WeakPolarHBondContact O-CB 3.42Å; C999-S1002 PolarHBondContact O-N 2.7Å; C999-V1003 PolarHBondContact O-N 2.57Å
1000E95.6Very high95.9Very high126 Ų12637.2 Ų37.259%0.58920%0.199SC*.Hα-helixtrans-55.8-37179.7-71-171.3-128.200113.7V998 S1002 V1003 A1004 R1212V998-E1000 PolarHBondContact O-N 3.5Å; E1000-S1002 VanDerWaalsContact C-N 3.32Å; E1000-S1002 PolarHBondContact O-N 3.11Å; E1000-V1003 PolarHBondContact O-N 2.74Å; E1000-A1004 WeakPolarHBondContact O-CB 3.48Å; E1000-A1004 PolarHBondContact O-N 3.33Å; E1000-R1212 IonicContact OE2-CZ 2.69Å; E1000-R1212 VanDerWaalsContact OE2-CZ 3.28Å; E1000-R1212 IonicContact OE2-NH1 3.84Å; E1000-R1212 PolarHBondContact OE2-NH1 3.02Å; E1000-R1212 IonicContact OE2-NH2 3.26Å; E1000-R1212 PolarHBondContact OE2-NH2 2.96Å
1001D95.6Very high95.6Very high37 Ų3740.4 Ų40.420%0.19821%0.214CC..Hα-helixtrans-60.9-40175.6-78.4-3.8000111.4C999 V1005 M1214 Q1218 L1222C999-D1001 PolarHBondContact O-N 2.86Å; D1001-V1005 WeakPolarHBondContact O-CG2 3.46Å; D1001-V1005 PolarHBondContact O-N 2.96Å; D1001-M1214 HydrophobicContact CB-SD 3.64Å; D1001-M1214 VanDerWaalsContact CG-SD 3.56Å; D1001-Q1218 PolarHBondContact OD2-NE2 3.42Å; D1001-L1222 HydrophobicContact CB-CD1 4.28Å; D1001-L1222 HydrophobicContact CB-CD2 4.15Å
1002S96.3Very high95Very high1 Ų138.5 Ų38.51%0.00722%0.217CC..Hα-helixtrans-64.3-51.2173.2-67.60000111.4G975 E997 C999 E1000 A1004 V1005 A1006G975-S1002 WeakPolarHBondContact O-CB 3.11Å; E997-S1002 VanDerWaalsContact OE2-CB 3.31Å; E997-S1002 WeakPolarHBondContact OE2-CB 3.44Å; E997-S1002 PolarHBondContact OE2-OG 2.82Å; C999-S1002 WeakPolarHBondContact O-CA 3.42Å; C999-S1002 VanDerWaalsContact O-CB 3.26Å; C999-S1002 WeakPolarHBondContact O-CB 3.42Å; C999-S1002 PolarHBondContact O-N 2.7Å; E1000-S1002 VanDerWaalsContact C-N 3.32Å; E1000-S1002 PolarHBondContact O-N 3.11Å; S1002-A1004 VanDerWaalsContact C-N 3.33Å; S1002-A1004 PolarHBondContact O-N 3.05Å; S1002-V1005 PolarHBondContact O-N 3.41Å; S1002-A1006 PolarHBondContact O-N 3.45Å
1003V96.5Very high94.9Very high36 Ų3640.9 Ų40.922%0.21823%0.227CC..Hα-helixtrans-60.9-41-177.6172.70000111.4E997 C999 E1000 A1006 T1007 H1016E997-V1003 HydrophobicContact CB-CG2 4.1Å; E997-V1003 HydrophobicContact CG-CG2 3.83Å; C999-V1003 PolarHBondContact O-N 2.57Å; E1000-V1003 PolarHBondContact O-N 2.74Å; V1003-A1006 PolarHBondContact O-N 3.43Å; V1003-T1007 VanDerWaalsContact O-CB 3.28Å; V1003-T1007 WeakPolarHBondContact O-CB 3.29Å; V1003-T1007 PolarHBondContact O-N 3.18Å; V1003-T1007 PolarHBondContact O-OG1 3.4Å; V1003-H1016 HydrophobicContact CG1-CB 4.48Å
1004A95.5Very high94.8Very high12 Ų1241.3 Ų41.310%0.09923%0.229CC..Hα-helixtrans-63.6-42.3177.500000112.3E1000 S1002 I1008 R1212E1000-A1004 WeakPolarHBondContact O-CB 3.48Å; E1000-A1004 PolarHBondContact O-N 3.33Å; S1002-A1004 VanDerWaalsContact C-N 3.33Å; S1002-A1004 PolarHBondContact O-N 3.05Å; A1004-I1008 WeakPolarHBondContact O-CB 3.42Å; A1004-I1008 WeakPolarHBondContact O-CD1 3.42Å; A1004-I1008 VanDerWaalsContact O-CG1 3.28Å; A1004-I1008 WeakPolarHBondContact O-CG1 3.24Å; A1004-I1008 PolarHBondContact O-N 3.09Å; A1004-I1008 VanDerWaalsContact O-N 3.08Å; A1004-R1212 HydrophobicContact CB-CG 3.95Å
1005V96.2Very high94.7Very high0 Ų045.1 Ų45.10%025%0.249CC..Hα-helixtrans-62.9-47.7174.8170.30000111.2I976 D1001 S1002 T1007 I1008 N1009 Y1208 A1211 M1214 L1222I976-V1005 HydrophobicContact CB-CB 4.31Å; I976-V1005 HydrophobicContact CB-CG1 3.72Å; I976-V1005 HydrophobicContact CG2-CB 3.99Å; I976-V1005 HydrophobicContact CG2-CG1 3.82Å; I976-V1005 HydrophobicContact CG2-CG2 4.45Å; D1001-V1005 WeakPolarHBondContact O-CG2 3.46Å; D1001-V1005 PolarHBondContact O-N 2.96Å; S1002-V1005 PolarHBondContact O-N 3.41Å; V1005-T1007 PolarHBondContact O-N 2.97Å; V1005-I1008 PolarHBondContact O-N 3.06Å; V1005-N1009 PolarHBondContact O-N 3.39Å; V1005-N1009 PolarHBondContact O-ND2 3.43Å; V1005-Y1208 HydrophobicContact CG1-CD1 4.05Å; V1005-Y1208 HydrophobicContact CG1-CE1 3.84Å; V1005-Y1208 WeakPolarHBondContact CG1-O 3.3Å; V1005-A1211 HydrophobicContact CG2-CB 3.85Å; V1005-M1214 HydrophobicContact CG2-CE 3.5Å; V1005-M1214 VanDerWaalsContact CG2-CE 3.5Å; V1005-L1222 HydrophobicContact CG2-CD1 3.84Å
1006A95.6Very high94.6Very high0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-62-42.817900000112S1002 V1003 H1010 I1014S1002-A1006 PolarHBondContact O-N 3.45Å; V1003-A1006 PolarHBondContact O-N 3.43Å; A1006-H1010 WeakPolarHBondContact O-CB 3.27Å; A1006-H1010 PolarHBondContact O-CD2 3.24Å; A1006-H1010 VanDerWaalsContact O-CD2 3.28Å; A1006-H1010 PolarHBondContact O-N 3.04Å; A1006-I1014 HydrophobicContact CB-CD1 4.16Å
1007T94.4Very high94.5Very high52 Ų5249.3 Ų49.332%0.31927%0.271SS..Hα-helixtrans-63.6-43.9179.8-58.70000112.2V1003 V1005 A1012V1003-T1007 VanDerWaalsContact O-CB 3.28Å; V1003-T1007 WeakPolarHBondContact O-CB 3.29Å; V1003-T1007 PolarHBondContact O-N 3.18Å; V1003-T1007 PolarHBondContact O-OG1 3.4Å; V1005-T1007 PolarHBondContact O-N 2.97Å; T1007-A1012 HydrophobicContact CG2-CB 4.04Å; T1007-A1012 PolarHBondContact O-N 3.3Å; T1007-A1012 VanDerWaalsContact O-N 3.1Å
1008I93.3Very high94.4Very high104 Ų10449.5 Ų49.553%0.53328%0.28SS..Hα-helixtrans-71.8-41.4-175.9-71.8166.8000112.1A1004 V1005 H1010 A1211A1004-I1008 WeakPolarHBondContact O-CB 3.42Å; A1004-I1008 WeakPolarHBondContact O-CD1 3.42Å; A1004-I1008 VanDerWaalsContact O-CG1 3.28Å; A1004-I1008 WeakPolarHBondContact O-CG1 3.24Å; A1004-I1008 PolarHBondContact O-N 3.09Å; A1004-I1008 VanDerWaalsContact O-N 3.08Å; V1005-I1008 PolarHBondContact O-N 3.06Å; I1008-H1010 VanDerWaalsContact C-N 3.33Å; I1008-H1010 PolarHBondContact O-N 2.69Å; I1008-A1211 HydrophobicContact CD1-CB 3.75Å
1009N93.3Very high94.4Very high47 Ų4746.4 Ų46.425%0.25126%0.26SS..Hα-helixtrans-77.3-18.4-176.5-74.1-88000114V1005 Y1208V1005-N1009 PolarHBondContact O-N 3.39Å; V1005-N1009 PolarHBondContact O-ND2 3.43Å; N1009-Y1208 HydrophobicContact CB-CD2 4.09Å; N1009-Y1208 HydrophobicContact CB-CE2 3.6Å; N1009-Y1208 VanDerWaalsContact CG-CD2 3.48Å; N1009-Y1208 VanDerWaalsContact CG-CE2 3.5Å; N1009-Y1208 PolarHBondContact ND2-O 3.17Å; N1009-Y1208 WeakPolarHBondContact OD1-CD2 3.41Å
1010H93.5Very high94.5Very high2 Ų244.8 Ų44.81%0.00925%0.249CC..THydrogen-bonded Turntrans-124.128.2-170-56.9-52.9000113.7Y980 A1006 I1008 A1012 K1013 I1014 Y1208Y980-H1010 HydrophobicContact CD1-CB 3.8Å; Y980-H1010 AromaticContact CD1-CD2 3.98Å; Y980-H1010 AromaticContact CD1-CE1 3.89Å; Y980-H1010 AromaticContact CD1-CG 3.42Å; Y980-H1010 VanDerWaalsContact CD1-CG 3.42Å; Y980-H1010 AromaticContact CD1-ND1 3.37Å; Y980-H1010 WeakPolarHBondContact CD1-ND1 3.32Å; Y980-H1010 HydrophobicContact CE1-CB 3.81Å; Y980-H1010 AromaticContact CE1-CG 3.86Å; Y980-H1010 AromaticContact CE1-ND1 3.75Å; A1006-H1010 WeakPolarHBondContact O-CB 3.27Å; A1006-H1010 PolarHBondContact O-CD2 3.24Å; A1006-H1010 VanDerWaalsContact O-CD2 3.28Å; A1006-H1010 PolarHBondContact O-N 3.04Å; I1008-H1010 VanDerWaalsContact C-N 3.33Å; I1008-H1010 PolarHBondContact O-N 2.69Å; H1010-A1012 PolarHBondContact O-N 3.23Å; H1010-A1012 VanDerWaalsContact O-N 3.08Å; H1010-K1013 VanDerWaalsContact O-CB 3.25Å; H1010-K1013 WeakPolarHBondContact O-CB 3.33Å; H1010-K1013 WeakPolarHBondContact O-CG 3.11Å; H1010-K1013 PolarHBondContact O-N 2.98Å; H1010-I1014 HydrophobicContact CB-CD1 4.07Å; H1010-I1014 HydrophobicContact CB-CG1 4.38Å; H1010-Y1208 AromaticContact NE2-CZ 3.86Å; H1010-Y1208 PolarHBondContact NE2-OH 2.97Å
1011D88.4Confident94.4Very high102 Ų10245.4 Ų45.455%0.54525%0.246SC..THydrogen-bonded Turntrans53.632.3172.4-41.2-56.6000114.1K1013D1011-K1013 HydrophobicContact CB-CD 4.15Å; D1011-K1013 HydrophobicContact CB-CG 4.27Å; D1011-K1013 PolarHBondContact O-N 3.04Å; D1011-K1013 VanDerWaalsContact O-N 3.14Å; D1011-K1013 WeakPolarHBondContact OD2-CE 3.32Å; D1011-K1013 IonicContact OD2-NZ 2.83Å; D1011-K1013 PolarHBondContact OD2-NZ 2.87Å
1012A83.8Confident94.4Very high66 Ų6650.9 Ų50.955%0.54527%0.268SS..THydrogen-bonded Turntrans54.121.9-170.600000116T1007 H1010 I1014T1007-A1012 HydrophobicContact CG2-CB 4.04Å; T1007-A1012 PolarHBondContact O-N 3.3Å; T1007-A1012 VanDerWaalsContact O-N 3.1Å; H1010-A1012 PolarHBondContact O-N 3.23Å; H1010-A1012 VanDerWaalsContact O-N 3.08Å; A1012-I1014 PolarHBondContact O-N 3Å
1013K92.8Very high94.4Very high111 Ų11151 Ų5148%0.48327%0.269SS..  trans-71.8-9177.2-66164.4179.8158.30114Y980 H1010 D1011Y980-K1013 WeakPolarHBondContact OH-CD 3.39Å; H1010-K1013 VanDerWaalsContact O-CB 3.25Å; H1010-K1013 WeakPolarHBondContact O-CB 3.33Å; H1010-K1013 WeakPolarHBondContact O-CG 3.11Å; H1010-K1013 PolarHBondContact O-N 2.98Å; D1011-K1013 HydrophobicContact CB-CD 4.15Å; D1011-K1013 HydrophobicContact CB-CG 4.27Å; D1011-K1013 PolarHBondContact O-N 3.04Å; D1011-K1013 VanDerWaalsContact O-N 3.14Å; D1011-K1013 WeakPolarHBondContact OD2-CE 3.32Å; D1011-K1013 IonicContact OD2-NZ 2.83Å; D1011-K1013 PolarHBondContact OD2-NZ 2.87Å
1014I96.4Very high94.3Very high9 Ų951.3 Ų51.35%0.04627%0.273CS..EExtended strand (participates in β ladder)trans-91.6120.6177.4-66.3173.1000109.5Y980 Y993 A995 A1006 H1010 A1012 H1016Y980-I1014 HydrophobicContact CD1-CD1 4.46Å; Y980-I1014 HydrophobicContact CD2-CG1 4.19Å; Y980-I1014 HydrophobicContact CG-CD1 4.09Å; Y980-I1014 HydrophobicContact CG-CG1 4.1Å; Y993-I1014 HydrophobicContact CD1-CB 4.38Å; Y993-I1014 HydrophobicContact CD1-CD1 4.39Å; Y993-I1014 HydrophobicContact CD1-CG1 3.88Å; Y993-I1014 HydrophobicContact CD1-CG2 3.93Å; Y993-I1014 HydrophobicContact CE1-CD1 4.34Å; Y993-I1014 HydrophobicContact CE1-CG1 4.33Å; Y993-I1014 HydrophobicContact CE1-CG2 4.31Å; A995-I1014 HydrophobicContact CB-CG2 3.39Å; A1006-I1014 HydrophobicContact CB-CD1 4.16Å; H1010-I1014 HydrophobicContact CB-CD1 4.07Å; H1010-I1014 HydrophobicContact CB-CG1 4.38Å; A1012-I1014 PolarHBondContact O-N 3Å; I1014-H1016 VanDerWaalsContact CG2-CE1 3.47Å; I1014-H1016 WeakPolarHBondContact CG2-CE1 3.45Å; I1014-H1016 WeakPolarHBondContact CG2-NE2 3.26Å; I1014-H1016 PolarHBondContact O-N 3.16Å
1015I96.7Very high94.2Very high80 Ų8055.8 Ų55.841%0.4129%0.292SS..EExtended strand (participates in β ladder)trans-84.493.9178-57168.6000108.7K992 Y993 V994 A995 V1017K992-I1015 HydrophobicContact CD-CD1 4.33Å; K992-I1015 HydrophobicContact CG-CD1 3.89Å; Y993-I1015 PolarHBondContact O-N 3.29Å; V994-I1015 CarbonylContact C-O 3.51Å; V994-I1015 WeakPolarHBondContact CA-O 3.33Å; V994-I1015 HydrophobicContact CG2-CB 4.22Å; V994-I1015 HydrophobicContact CG2-CD1 4.36Å; A995-I1015 PolarHBondContact N-O 2.84Å; I1015-V1017 HydrophobicContact CG2-CG1 4.24Å
1016H96.4Very high94Very high50 Ų5063 Ų6323%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-75130177.9-70.3-72.4000112A995 V1003 I1014A995-H1016 CarbonylContact O-C 3.56Å; A995-H1016 WeakPolarHBondContact O-CA 3.25Å; V1003-H1016 HydrophobicContact CG1-CB 4.48Å; I1014-H1016 VanDerWaalsContact CG2-CE1 3.47Å; I1014-H1016 WeakPolarHBondContact CG2-CE1 3.45Å; I1014-H1016 WeakPolarHBondContact CG2-NE2 3.26Å; I1014-H1016 PolarHBondContact O-N 3.16Å
1017V95Very high94Very high41 Ų4165.8 Ų65.825%0.24834%0.34CS..  trans-120.66.7-174-610000114.6V994 A995 I1015 I1023 W1031V994-V1017 HydrophobicContact CG1-CB 4.42Å; V994-V1017 HydrophobicContact CG1-CG1 3.56Å; V994-V1017 HydrophobicContact CG1-CG2 3.95Å; A995-V1017 PolarHBondContact O-N 2.99Å; I1015-V1017 HydrophobicContact CG2-CG1 4.24Å; V1017-I1023 HydrophobicContact CG2-CD1 4.02Å; V1017-W1031 HydrophobicContact CB-CH2 3.75Å; V1017-W1031 HydrophobicContact CB-CZ2 3.93Å; V1017-W1031 HydrophobicContact CG1-CH2 3.65Å; V1017-W1031 HydrophobicContact CG1-CZ2 3.44Å; V1017-W1031 VanDerWaalsContact CG1-CZ2 3.44Å; V1017-W1031 HydrophobicContact CG1-CZ3 4.37Å; V1017-W1031 HydrophobicContact CG2-CH2 3.86Å; V1017-W1031 HydrophobicContact CG2-CZ3 4.3Å
1018G94.9Very high94Very high30 Ų3063.7 Ų63.731%0.30933%0.326SS..  trans75.6-141.517700000113.9S996 E997S996-G1018 WeakPolarHBondContact CA-O 3.3Å; S996-G1018 WeakPolarHBondContact CB-O 3.21Å; S996-G1018 PolarHBondContact OG-O 3.03Å; E997-G1018 PolarHBondContact N-O 3.34Å; E997-G1018 CarbonylContact O-C 3.57Å; E997-G1018 WeakPolarHBondContact O-CA 3.43Å
1019D96.6Very high93.9Very high33 Ų3364.9 Ų64.918%0.17633%0.33CS..  trans-73.9125.9-171.8-166.5-52.1000113V998 R1021 F1022V998-D1019 HydrophobicContact CG1-CB 3.62Å; D1019-R1021 PolarHBondContact O-N 3.3Å; D1019-R1021 VanDerWaalsContact OD1-CB 3.31Å; D1019-R1021 WeakPolarHBondContact OD1-CB 3.25Å; D1019-R1021 VanDerWaalsContact OD1-CG 3.29Å; D1019-R1021 WeakPolarHBondContact OD1-CG 3.47Å; D1019-R1021 IonicContact OD1-CZ 3.11Å; D1019-R1021 PolarHBondContact OD1-N 3.35Å; D1019-R1021 IonicContact OD1-NE 3.52Å; D1019-R1021 PolarHBondContact OD1-NE 3.03Å; D1019-R1021 IonicContact OD1-NH2 2.75Å; D1019-R1021 IonicContact OD2-CZ 2.72Å; D1019-R1021 IonicContact OD2-NE 3.58Å; D1019-R1021 PolarHBondContact OD2-NE 3.29Å; D1019-R1021 IonicContact OD2-NH2 3.68Å; D1019-R1021 PolarHBondContact OD2-NH2 3.2Å; D1019-F1022 HydrophobicContact CB-CD2 3.79Å; D1019-F1022 HydrophobicContact CB-CE2 3.89Å; D1019-F1022 PolarHBondContact O-N 3.3Å; D1019-F1022 VanDerWaalsContact O-N 3.08Å
1020V97Very high94Very high2 Ų270.7 Ų70.71%0.01235%0.353CS..G310 helixtrans-52.4-30.7-177.868.70000113.7L972 F973 S996 F1022 I1023 L1063 E1066 R1069 I1070L972-V1020 HydrophobicContact CD1-CG2 4.13Å; L972-V1020 HydrophobicContact CD2-CG2 4Å; L972-V1020 HydrophobicContact CG-CG2 4.49Å; F973-V1020 HydrophobicContact CE1-CB 4.33Å; F973-V1020 HydrophobicContact CE1-CG1 3.7Å; F973-V1020 HydrophobicContact CZ-CB 4.45Å; F973-V1020 HydrophobicContact CZ-CG1 3.88Å; F973-V1020 HydrophobicContact CZ-CG2 4.48Å; S996-V1020 WeakPolarHBondContact OG-CA 3.48Å; S996-V1020 WeakPolarHBondContact OG-CB 3.24Å; S996-V1020 PolarHBondContact OG-N 3.39Å; V1020-F1022 PolarHBondContact O-N 3.09Å; V1020-I1023 HydrophobicContact CG2-CD1 4.31Å; V1020-I1023 WeakPolarHBondContact O-CB 3.34Å; V1020-I1023 PolarHBondContact O-N 3.32Å; V1020-I1023 VanDerWaalsContact O-N 3.1Å; V1020-L1063 HydrophobicContact CG1-CD2 4.25Å; V1020-E1066 HydrophobicContact CB-CB 4.49Å; V1020-E1066 HydrophobicContact CG1-CB 3.77Å; V1020-E1066 HydrophobicContact CG1-CG 3.95Å; V1020-E1066 HydrophobicContact CG2-CB 3.88Å; V1020-R1069 PolarHBondContact O-NH2 3.16Å; V1020-I1070 HydrophobicContact CG2-CD1 3.47Å; V1020-I1070 VanDerWaalsContact CG2-CD1 3.47Å
1021R94.6Very high94Very high139 Ų13972.6 Ų72.653%0.52536%0.36SS..G310 helixtrans-67.1-19.3-176.5-63.3174.5-66.9154.2-2.2113D1019 E1066D1019-R1021 PolarHBondContact O-N 3.3Å; D1019-R1021 VanDerWaalsContact OD1-CB 3.31Å; D1019-R1021 WeakPolarHBondContact OD1-CB 3.25Å; D1019-R1021 VanDerWaalsContact OD1-CG 3.29Å; D1019-R1021 WeakPolarHBondContact OD1-CG 3.47Å; D1019-R1021 IonicContact OD1-CZ 3.11Å; D1019-R1021 PolarHBondContact OD1-N 3.35Å; D1019-R1021 IonicContact OD1-NE 3.52Å; D1019-R1021 PolarHBondContact OD1-NE 3.03Å; D1019-R1021 IonicContact OD1-NH2 2.75Å; D1019-R1021 IonicContact OD2-CZ 2.72Å; D1019-R1021 IonicContact OD2-NE 3.58Å; D1019-R1021 PolarHBondContact OD2-NE 3.29Å; D1019-R1021 IonicContact OD2-NH2 3.68Å; D1019-R1021 PolarHBondContact OD2-NH2 3.2Å; R1021-E1066 HydrophobicContact CG-CG 4.02Å
1022F96Very high93.4Very high151 Ų15168.6 Ų68.666%0.66234%0.342SS*.G310 helixtrans-94.6-0.7177.1-53.7-52.4000113.5D1019 V1020 S1024D1019-F1022 HydrophobicContact CB-CD2 3.79Å; D1019-F1022 HydrophobicContact CB-CE2 3.89Å; D1019-F1022 PolarHBondContact O-N 3.3Å; D1019-F1022 VanDerWaalsContact O-N 3.08Å; V1020-F1022 PolarHBondContact O-N 3.09Å; F1022-S1024 PolarHBondContact O-N 3.43Å; F1022-S1024 VanDerWaalsContact O-N 3.09Å
1023I96Very high93.7Very high4 Ų468.7 Ų68.72%0.02134%0.338CS..  trans-74.9100.2176.3-59.1179.9000109.5L972 V1017 V1020 L1028 W1031 R1069 I1070L972-I1023 HydrophobicContact CD2-CD1 4.06Å; V1017-I1023 HydrophobicContact CG2-CD1 4.02Å; V1020-I1023 HydrophobicContact CG2-CD1 4.31Å; V1020-I1023 WeakPolarHBondContact O-CB 3.34Å; V1020-I1023 PolarHBondContact O-N 3.32Å; V1020-I1023 VanDerWaalsContact O-N 3.1Å; I1023-L1028 HydrophobicContact CG2-CD1 4.39Å; I1023-L1028 HydrophobicContact CG2-CD2 3.64Å; I1023-L1028 HydrophobicContact CG2-CG 3.82Å; I1023-W1031 HydrophobicContact CD1-CZ3 4.28Å; I1023-W1031 HydrophobicContact CG1-CH2 4.16Å; I1023-W1031 HydrophobicContact CG1-CZ3 4.25Å; I1023-W1031 HydrophobicContact CG2-CH2 4.33Å; I1023-W1031 HydrophobicContact CG2-CZ3 3.82Å; I1023-R1069 PolarHBondContact O-NH1 2.75Å; I1023-R1069 PolarHBondContact O-NH2 3.46Å; I1023-R1069 VanDerWaalsContact O-NH2 3.17Å; I1023-I1070 HydrophobicContact CB-CD1 4.05Å; I1023-I1070 HydrophobicContact CD1-CD1 4.14Å; I1023-I1070 HydrophobicContact CG2-CD1 4.08Å
1024S93.3Very high93.9Very high43 Ų4363.5 Ų63.530%0.30132%0.315SS..  trans-81.5166.6172.570.90000112.1F1022 E1026 L1027 L1028F1022-S1024 PolarHBondContact O-N 3.43Å; F1022-S1024 VanDerWaalsContact O-N 3.09Å; S1024-E1026 VanDerWaalsContact C-N 3.31Å; S1024-E1026 PolarHBondContact O-N 3.1Å; S1024-L1027 PolarHBondContact O-N 3.27Å; S1024-L1027 PolarHBondContact OG-N 3.18Å; S1024-L1028 PolarHBondContact O-N 2.97Å
1025Q93.1Very high93.9Very high106 Ų10663 Ų6350%0.49531%0.313SS..Hα-helixtrans-60.5-40.7172.5-178-179.5-30.800111.6L1027 L1028 E1029 L1073Q1025-L1027 VanDerWaalsContact C-N 3.27Å; Q1025-L1027 PolarHBondContact O-N 3.49Å; Q1025-L1028 WeakPolarHBondContact O-CB 3.36Å; Q1025-L1028 PolarHBondContact O-N 3.37Å; Q1025-L1028 VanDerWaalsContact O-N 3.1Å; Q1025-E1029 HydrophobicContact CG-CG 4.38Å; Q1025-E1029 WeakPolarHBondContact CG-OE1 3.44Å; Q1025-E1029 PolarHBondContact NE2-OE1 3.03Å; Q1025-E1029 WeakPolarHBondContact O-CG 3.17Å; Q1025-E1029 PolarHBondContact O-N 2.84Å; Q1025-L1073 HydrophobicContact CB-CD2 4.39Å; Q1025-L1073 HydrophobicContact CG-CD2 4.36Å
1026E93.8Very high94Very high152 Ų15259.2 Ų59.271%0.7129%0.293SS*.Hα-helixtrans-58.1-37.4177.4-58.6169.5173.500112.4S1024 K1030S1024-E1026 VanDerWaalsContact C-N 3.31Å; S1024-E1026 PolarHBondContact O-N 3.1Å; E1026-K1030 WeakPolarHBondContact O-CB 3.49Å; E1026-K1030 PolarHBondContact O-N 3.44Å
1027L94.2Very high94.1Very high58 Ų5856.9 Ų56.930%0.30428%0.282SS..Hα-helixtrans-69.7-41175.6-72.4175.9000111.9S1024 Q1025 K1030 W1031S1024-L1027 PolarHBondContact O-N 3.27Å; S1024-L1027 PolarHBondContact OG-N 3.18Å; Q1025-L1027 VanDerWaalsContact C-N 3.27Å; Q1025-L1027 PolarHBondContact O-N 3.49Å; L1027-K1030 PolarHBondContact O-N 2.98Å; L1027-W1031 HydrophobicContact CB-CD2 4.49Å; L1027-W1031 HydrophobicContact CB-CE3 4.41Å; L1027-W1031 HydrophobicContact CB-CH2 3.82Å; L1027-W1031 HydrophobicContact CB-CZ2 3.88Å; L1027-W1031 HydrophobicContact CB-CZ3 4.1Å; L1027-W1031 HydrophobicContact CD1-CH2 4.16Å; L1027-W1031 HydrophobicContact CD1-CZ2 4.23Å; L1027-W1031 HydrophobicContact CD2-CZ2 4.07Å; L1027-W1031 HydrophobicContact CG-CH2 4.46Å; L1027-W1031 HydrophobicContact CG-CZ2 4.29Å; L1027-W1031 WeakPolarHBondContact O-CB 3.38Å; L1027-W1031 PolarHBondContact O-N 3.42Å
1028L95Very high94.3Very high7 Ų754.9 Ų54.94%0.03727%0.27CS..Hα-helixtrans-61.9-45.2174.2-64174.4000111.3L970 I1023 S1024 Q1025 W1031 G1032 F1034 I1070 L1073 L1074L970-L1028 HydrophobicContact CD2-CD2 3.57Å; I1023-L1028 HydrophobicContact CG2-CD1 4.39Å; I1023-L1028 HydrophobicContact CG2-CD2 3.64Å; I1023-L1028 HydrophobicContact CG2-CG 3.82Å; S1024-L1028 PolarHBondContact O-N 2.97Å; Q1025-L1028 WeakPolarHBondContact O-CB 3.36Å; Q1025-L1028 PolarHBondContact O-N 3.37Å; Q1025-L1028 VanDerWaalsContact O-N 3.1Å; L1028-W1031 HydrophobicContact CD2-CE3 4.25Å; L1028-W1031 HydrophobicContact CD2-CZ3 4.34Å; L1028-W1031 PolarHBondContact O-N 3.22Å; L1028-G1032 PolarHBondContact O-N 2.96Å; L1028-F1034 HydrophobicContact CD2-CD2 4.49Å; L1028-F1034 HydrophobicContact CD2-CE2 3.96Å; L1028-I1070 HydrophobicContact CD1-CG2 4.26Å; L1028-I1070 HydrophobicContact CD2-CG2 4.35Å; L1028-L1073 HydrophobicContact CD1-CB 3.91Å; L1028-L1073 HydrophobicContact CD1-CD1 4.04Å; L1028-L1074 HydrophobicContact CB-CD2 4.31Å; L1028-L1074 HydrophobicContact CD1-CD2 4.22Å; L1028-L1074 HydrophobicContact CD1-CG 4.32Å; L1028-L1074 HydrophobicContact CD2-CD1 4.49Å; L1028-L1074 HydrophobicContact CD2-CD2 4.39Å
1029E92.1Very high94.4Very high130 Ų13053.5 Ų53.561%0.60726%0.256SS*.Hα-helixtrans-62.7-41.7176.2-71.1176.2-174.200111.7Q1025 G1032Q1025-E1029 HydrophobicContact CG-CG 4.38Å; Q1025-E1029 WeakPolarHBondContact CG-OE1 3.44Å; Q1025-E1029 PolarHBondContact NE2-OE1 3.03Å; Q1025-E1029 WeakPolarHBondContact O-CG 3.17Å; Q1025-E1029 PolarHBondContact O-N 2.84Å; E1029-G1032 PolarHBondContact O-N 2.99Å
1030K93.9Very high94.3Very high168 Ų16852.6 Ų52.673%0.7326%0.255SS*.Hα-helixtrans-65.9-36.9176-178.4178-179.4178.10113.4E1026 L1027 G1032E1026-K1030 WeakPolarHBondContact O-CB 3.49Å; E1026-K1030 PolarHBondContact O-N 3.44Å; L1027-K1030 PolarHBondContact O-N 2.98Å; K1030-G1032 VanDerWaalsContact C-N 3.26Å
1031W93.1Very high94.1Very high43 Ų4352.7 Ų52.716%0.16326%0.255CS..Hα-helixtrans-75.8-19.5175-60.1-31.9000112.3K992 V994 V1017 I1023 L1027 L1028 F1034K992-W1031 WeakPolarHBondContact CD-O 3.35Å; K992-W1031 PolarHBondContact NZ-O 2.86Å; V994-W1031 HydrophobicContact CG1-CD2 4.21Å; V994-W1031 HydrophobicContact CG1-CE3 3.94Å; V994-W1031 HydrophobicContact CG1-CZ3 4.14Å; V994-W1031 HydrophobicContact CG2-CB 4.46Å; V994-W1031 HydrophobicContact CG2-CG 4.47Å; V1017-W1031 HydrophobicContact CB-CH2 3.75Å; V1017-W1031 HydrophobicContact CB-CZ2 3.93Å; V1017-W1031 HydrophobicContact CG1-CH2 3.65Å; V1017-W1031 HydrophobicContact CG1-CZ2 3.44Å; V1017-W1031 VanDerWaalsContact CG1-CZ2 3.44Å; V1017-W1031 HydrophobicContact CG1-CZ3 4.37Å; V1017-W1031 HydrophobicContact CG2-CH2 3.86Å; V1017-W1031 HydrophobicContact CG2-CZ3 4.3Å; I1023-W1031 HydrophobicContact CD1-CZ3 4.28Å; I1023-W1031 HydrophobicContact CG1-CH2 4.16Å; I1023-W1031 HydrophobicContact CG1-CZ3 4.25Å; I1023-W1031 HydrophobicContact CG2-CH2 4.33Å; I1023-W1031 HydrophobicContact CG2-CZ3 3.82Å; L1027-W1031 HydrophobicContact CB-CD2 4.49Å; L1027-W1031 HydrophobicContact CB-CE3 4.41Å; L1027-W1031 HydrophobicContact CB-CH2 3.82Å; L1027-W1031 HydrophobicContact CB-CZ2 3.88Å; L1027-W1031 HydrophobicContact CB-CZ3 4.1Å; L1027-W1031 HydrophobicContact CD1-CH2 4.16Å; L1027-W1031 HydrophobicContact CD1-CZ2 4.23Å; L1027-W1031 HydrophobicContact CD2-CZ2 4.07Å; L1027-W1031 HydrophobicContact CG-CH2 4.46Å; L1027-W1031 HydrophobicContact CG-CZ2 4.29Å; L1027-W1031 WeakPolarHBondContact O-CB 3.38Å; L1027-W1031 PolarHBondContact O-N 3.42Å; L1028-W1031 HydrophobicContact CD2-CE3 4.25Å; L1028-W1031 HydrophobicContact CD2-CZ3 4.34Å; L1028-W1031 PolarHBondContact O-N 3.22Å; W1031-F1034 HydrophobicContact CB-CE2 4.08Å; W1031-F1034 HydrophobicContact CB-CZ 3.62Å; W1031-F1034 HydrophobicContact CE3-CE2 4.36Å; W1031-F1034 HydrophobicContact CE3-CZ 4.15Å; W1031-F1034 HydrophobicContact CG-CZ 4.45Å
1032G77.6Confident93.9Very high17 Ų1748.3 Ų48.318%0.17525%0.245CC..  trans94.5164.1176.500000112.7L1028 E1029 K1030 F1034L1028-G1032 PolarHBondContact O-N 2.96Å; E1029-G1032 PolarHBondContact O-N 2.99Å; K1030-G1032 VanDerWaalsContact C-N 3.26Å; G1032-F1034 WeakPolarHBondContact O-CD2 3.28Å; G1032-F1034 PolarHBondContact O-N 2.94Å; G1032-F1034 VanDerWaalsContact O-N 3.16Å
1033P90.1Very high93.5Very high69 Ų6943 Ų4345%0.44823%0.226SC..  trans-63.4119-176.223.9-32.4000111.3R968R968-P1033 PolarHBondContact NE-O 3.27Å; R968-P1033 PolarHBondContact NH2-O 3.34Å
1034F96.1Very high93Very high1 Ų147.3 Ų47.30%0.00425%0.249CC..  trans-80.8137.7176-62.2-80.1000110.9V969 L970 V994 L1028 W1031 G1032 L1074 R1082 F1084V969-F1034 WeakPolarHBondContact O-CD1 3.45Å; V969-F1034 WeakPolarHBondContact O-CE1 3.22Å; L970-F1034 HydrophobicContact CB-CB 4.31Å; L970-F1034 HydrophobicContact CB-CD1 3.73Å; L970-F1034 HydrophobicContact CB-CD2 3.96Å; L970-F1034 HydrophobicContact CB-CE1 3.91Å; L970-F1034 HydrophobicContact CB-CE2 4.15Å; L970-F1034 HydrophobicContact CB-CG 3.72Å; L970-F1034 HydrophobicContact CB-CZ 4.11Å; L970-F1034 HydrophobicContact CD1-CZ 4.25Å; L970-F1034 HydrophobicContact CD2-CD2 4.22Å; L970-F1034 HydrophobicContact CD2-CE2 4.11Å; V994-F1034 HydrophobicContact CB-CE1 3.87Å; V994-F1034 HydrophobicContact CB-CZ 3.97Å; V994-F1034 HydrophobicContact CG1-CZ 4.5Å; V994-F1034 HydrophobicContact CG2-CE1 3.67Å; V994-F1034 HydrophobicContact CG2-CZ 3.78Å; L1028-F1034 HydrophobicContact CD2-CD2 4.49Å; L1028-F1034 HydrophobicContact CD2-CE2 3.96Å; W1031-F1034 HydrophobicContact CB-CE2 4.08Å; W1031-F1034 HydrophobicContact CB-CZ 3.62Å; W1031-F1034 HydrophobicContact CE3-CE2 4.36Å; W1031-F1034 HydrophobicContact CE3-CZ 4.15Å; W1031-F1034 HydrophobicContact CG-CZ 4.45Å; G1032-F1034 WeakPolarHBondContact O-CD2 3.28Å; G1032-F1034 PolarHBondContact O-N 2.94Å; G1032-F1034 VanDerWaalsContact O-N 3.16Å; F1034-L1074 HydrophobicContact CB-CD1 4.29Å; F1034-L1074 HydrophobicContact CD2-CD1 3.95Å; F1034-L1074 HydrophobicContact CD2-CD2 3.93Å; F1034-L1074 HydrophobicContact CG-CD1 4.49Å; F1034-R1082 PolarHBondContact O-NH1 2.76Å; F1034-F1084 VanDerWaalsContact O-CD2 3.25Å; F1034-F1084 WeakPolarHBondContact O-CD2 3.48Å
1035D97.1Very high92.6Very high0 Ų046.1 Ų46.10%024%0.239CC..SBendtrans-96.6-15.9-179.6-55.7-53.3000112.1R965 L967 R968 R1082 F1084 F1085 F1243R965-D1035 IonicContact CZ-OD1 3.79Å; R965-D1035 IonicContact CZ-OD2 2.95Å; R965-D1035 IonicContact NE-OD2 2.74Å; R965-D1035 PolarHBondContact NE-OD2 3.15Å; R965-D1035 IonicContact NH2-OD1 3.86Å; R965-D1035 PolarHBondContact NH2-OD1 3.31Å; R965-D1035 IonicContact NH2-OD2 2.77Å; R965-D1035 PolarHBondContact NH2-OD2 2.93Å; L967-D1035 HydrophobicContact CD1-CB 4.21Å; R968-D1035 IonicContact CZ-OD1 2.88Å; R968-D1035 IonicContact CZ-OD2 3.66Å; R968-D1035 VanDerWaalsContact CZ-OD2 3.28Å; R968-D1035 IonicContact NE-OD2 3.51Å; R968-D1035 PolarHBondContact NE-OD2 2.81Å; R968-D1035 IonicContact NH2-OD1 2.92Å; R968-D1035 PolarHBondContact NH2-OD1 3.41Å; R968-D1035 IonicContact NH2-OD2 3.89Å; R968-D1035 PolarHBondContact NH2-OD2 3.4Å; R968-D1035 PolarHBondContact O-N 3.35Å; D1035-R1082 WeakPolarHBondContact OD1-CD 3.39Å; D1035-R1082 IonicContact OD1-CZ 3.22Å; D1035-R1082 IonicContact OD1-NH1 2.77Å; D1035-R1082 PolarHBondContact OD1-NH1 3.37Å; D1035-F1084 WeakPolarHBondContact O-CA 2.94Å; D1035-F1085 PolarHBondContact O-N 3.14Å; D1035-F1243 HydrophobicContact CB-CE1 3.63Å; D1035-F1243 HydrophobicContact CB-CZ 3.8Å
1036L98.3Very high92.1Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-137.2127.3172.7174.764.4000111.4L967 R968 V969 L970 I1038 F1085 F1236 L1239L967-L1036 HydrophobicContact CD1-CB 3.97Å; L967-L1036 HydrophobicContact CD2-CD2 4.11Å; R968-L1036 PolarHBondContact O-N 3.13Å; R968-L1036 VanDerWaalsContact O-N 3.1Å; V969-L1036 WeakPolarHBondContact CA-O 3.44Å; V969-L1036 HydrophobicContact CG1-CB 4.43Å; V969-L1036 HydrophobicContact CG1-CD2 4.17Å; V969-L1036 HydrophobicContact CG1-CG 4.22Å; V969-L1036 HydrophobicContact CG2-CB 4.35Å; V969-L1036 HydrophobicContact CG2-CD2 4.21Å; L970-L1036 PolarHBondContact N-O 3.48Å; L1036-I1038 HydrophobicContact CD1-CG2 3.69Å; L1036-I1038 HydrophobicContact CD2-CG2 4.08Å; L1036-I1038 HydrophobicContact CG-CG2 3.75Å; L1036-F1085 CarbonylContact C-O 3.56Å; L1036-F1085 VanDerWaalsContact CA-O 3.28Å; L1036-F1085 WeakPolarHBondContact CA-O 3.4Å; L1036-F1085 HydrophobicContact CD1-CB 3.86Å; L1036-F1236 HydrophobicContact CD2-CZ 4.41Å; L1036-L1239 HydrophobicContact CD1-CD1 4.42Å; L1036-L1239 HydrophobicContact CD2-CD1 4.08Å
1037L98.5Very high91.5Very high0 Ų034.3 Ų34.30%019%0.185CC..EExtended strand (participates in β ladder)trans-113.8119172.6172.764.5000111.1L970 L972 F1067 I1070 L1071 L1074 F1084 F1085 W1086 L1087L970-L1037 HydrophobicContact CB-CD1 4.05Å; L970-L1037 HydrophobicContact CD2-CD1 3.99Å; L970-L1037 HydrophobicContact CG-CD1 3.97Å; L970-L1037 WeakPolarHBondContact O-CA 3.47Å; L972-L1037 HydrophobicContact CD1-CD1 3.92Å; L972-L1037 HydrophobicContact CG-CD1 4.02Å; L1037-F1067 HydrophobicContact CD1-CE2 4.37Å; L1037-F1067 HydrophobicContact CD2-CE2 4.27Å; L1037-F1067 HydrophobicContact CD2-CZ 4.18Å; L1037-F1067 HydrophobicContact CG-CE2 3.92Å; L1037-F1067 HydrophobicContact CG-CZ 4.11Å; L1037-I1070 HydrophobicContact CD1-CG2 4.14Å; L1037-I1070 HydrophobicContact CD2-CG2 4.33Å; L1037-L1071 VanDerWaalsContact CD2-CA 3.49Å; L1037-L1071 HydrophobicContact CD2-CB 3.73Å; L1037-L1071 HydrophobicContact CD2-CD1 4Å; L1037-L1071 HydrophobicContact CD2-CG 4.48Å; L1037-L1074 HydrophobicContact CD1-CD1 4.33Å; L1037-L1074 HydrophobicContact CD2-CD1 4.35Å; L1037-F1084 HydrophobicContact CB-CE2 4.13Å; L1037-F1084 HydrophobicContact CB-CZ 3.96Å; L1037-F1084 HydrophobicContact CD2-CZ 4.49Å; L1037-F1085 PolarHBondContact N-O 2.86Å; L1037-W1086 HydrophobicContact CB-CB 4.07Å; L1037-W1086 CarbonylContact O-C 3.57Å; L1037-W1086 WeakPolarHBondContact O-CA 3.46Å; L1037-W1086 WeakPolarHBondContact O-CB 3.43Å; L1037-L1087 PolarHBondContact O-N 3.03Å
1038I98.6Very high90.6Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-126.4153.1-178.263.8-178.4000112.6V969 L970 S971 L972 Y993 L1036 L1087 W1227 F1236V969-I1038 HydrophobicContact CG1-CD1 4.09Å; V969-I1038 HydrophobicContact CG1-CG1 4.24Å; L970-I1038 PolarHBondContact O-N 3.38Å; S971-I1038 CarbonylContact C-O 3.39Å; S971-I1038 WeakPolarHBondContact CA-O 3.46Å; L972-I1038 PolarHBondContact N-O 3.18Å; Y993-I1038 HydrophobicContact CE2-CD1 4.47Å; L1036-I1038 HydrophobicContact CD1-CG2 3.69Å; L1036-I1038 HydrophobicContact CD2-CG2 4.08Å; L1036-I1038 HydrophobicContact CG-CG2 3.75Å; I1038-L1087 CarbonylContact C-O 3.46Å; I1038-L1087 WeakPolarHBondContact CA-O 3.42Å; I1038-L1087 HydrophobicContact CG2-CB 4.07Å; I1038-W1227 HydrophobicContact CB-CH2 4.17Å; I1038-W1227 HydrophobicContact CD1-CZ3 4.3Å; I1038-F1236 HydrophobicContact CD1-CZ 3.97Å; I1038-F1236 HydrophobicContact CG2-CE1 4.14Å; I1038-F1236 HydrophobicContact CG2-CZ 3.95Å
1039G97.2Very high89.6Confident1 Ų141 Ų411%0.0122%0.224CC..EExtended strand (participates in β ladder)trans177.6158.9168.600000116.2L972 L1087 F1088 E1089L972-G1039 WeakPolarHBondContact O-CA 3.25Å; G1039-L1087 PolarHBondContact N-O 2.58Å; G1039-F1088 WeakPolarHBondContact O-CA 3.4Å; G1039-F1088 WeakPolarHBondContact O-CD2 3.34Å; G1039-E1089 PolarHBondContact O-N 2.99Å
1040G94.8Very high88.9Confident14 Ų1436.9 Ų36.914%0.14421%0.206CC..  trans-134.598.7175.800000110.5F973 E1089F973-G1040 WeakPolarHBondContact CB-O 3.39Å; G1040-E1089 WeakPolarHBondContact CA-O 3.49Å
1041S93.2Very high87.9Confident3 Ų334.2 Ų34.22%0.02121%0.206CC..  trans-70.1149.4-174.870.50000111.7C1043 F1088 N1090S1041-C1043 PolarHBondContact O-N 3.29Å; S1041-F1088 WeakPolarHBondContact OG-CZ 3.33Å; S1041-N1090 PolarHBondContact O-ND2 3.41Å
1042P91.1Very high87.2Confident48 Ų4839.1 Ų39.131%0.31224%0.235SC..  trans-56.5115.2-171.9-26.234.3000113.5N1044 T1060 L1063P1042-N1044 PolarHBondContact O-N 3.48Å; P1042-N1044 VanDerWaalsContact O-N 3.09Å; P1042-T1060 HydrophobicContact CB-CG2 4.5Å; P1042-L1063 HydrophobicContact CG-CD1 4Å
1043C86.1Confident87.4Confident39 Ų3943.6 Ų43.626%0.26425%0.246SC..THydrogen-bonded Turntrans-72.9-1.1-172.764.70000115.3S1041 D1045 L1046 S1047 N1090 V1091S1041-C1043 PolarHBondContact O-N 3.29Å; C1043-D1045 PolarHBondContact O-N 2.97Å; C1043-L1046 PolarHBondContact O-N 2.86Å; C1043-S1047 WeakPolarHBondContact O-CB 3.27Å; C1043-S1047 PolarHBondContact O-N 3.12Å; C1043-N1090 VanDerWaalsContact CB-OD1 3.3Å; C1043-N1090 WeakPolarHBondContact CB-OD1 3.49Å; C1043-V1091 HydrophobicContact CB-CB 4.27Å; C1043-V1091 HydrophobicContact CB-CG1 3.53Å; C1043-V1091 HydrophobicContact CB-CG2 3.8Å
1044N86.3Confident87.1Confident94 Ų9446.1 Ų46.150%0.50325%0.25SS..THydrogen-bonded Turntrans-60.2-41.5-169.9-76.329.2000113P1042 N1050P1042-N1044 PolarHBondContact O-N 3.48Å; P1042-N1044 VanDerWaalsContact O-N 3.09Å; N1044-N1050 WeakPolarHBondContact O-CB 3.48Å; N1044-N1050 PolarHBondContact O-ND2 3.48Å
1045D85.1Confident86.5Confident18 Ų1846.7 Ų46.710%0.09626%0.257CS..THydrogen-bonded Turntrans-88.8-12.4178.8-73.9-63000113.8C1043 R1053 K1054 G1055 T1060C1043-D1045 PolarHBondContact O-N 2.97Å; D1045-R1053 WeakPolarHBondContact O-CB 3.42Å; D1045-K1054 HydrophobicContact CB-CB 4.35Å; D1045-K1054 WeakPolarHBondContact OD1-CB 3.32Å; D1045-K1054 WeakPolarHBondContact OD1-CG 3.44Å; D1045-K1054 PolarHBondContact OD1-N 3.05Å; D1045-G1055 VanDerWaalsContact O-CA 3.26Å; D1045-G1055 WeakPolarHBondContact O-CA 3.18Å; D1045-G1055 PolarHBondContact O-N 2.83Å; D1045-T1060 WeakPolarHBondContact OD2-CB 3.37Å; D1045-T1060 PolarHBondContact OD2-N 3.09Å; D1045-T1060 PolarHBondContact OD2-OG1 3.4Å
1046L81.4Confident86.1Confident0 Ų046.8 Ų46.80%026%0.257CS..THydrogen-bonded Turntrans-87.8-29.2175.4-60178000112.1C1043 L1056 N1090 M1094C1043-L1046 PolarHBondContact O-N 2.86Å; L1046-L1056 HydrophobicContact CD2-CB 4.08Å; L1046-L1056 HydrophobicContact CD2-CD1 3.74Å; L1046-N1090 WeakPolarHBondContact CD1-OD1 3.42Å; L1046-M1094 HydrophobicContact CB-CB 4.43Å; L1046-M1094 HydrophobicContact CD1-CE 4.43Å; L1046-M1094 VanDerWaalsContact O-CA 3.31Å; L1046-M1094 WeakPolarHBondContact O-CA 3.28Å; L1046-M1094 WeakPolarHBondContact O-CB 3.44Å
1047S81.3Confident85.6Confident10 Ų1052.5 Ų52.57%0.0728%0.28CS..BIsolated β-bridgetrans-81.9129.2-169-1600000113.9C1043 V1049 N1050 R1053 F1093C1043-S1047 WeakPolarHBondContact O-CB 3.27Å; C1043-S1047 PolarHBondContact O-N 3.12Å; S1047-V1049 PolarHBondContact O-N 3.03Å; S1047-N1050 PolarHBondContact O-N 3.18Å; S1047-N1050 VanDerWaalsContact O-N 3.08Å; S1047-R1053 VanDerWaalsContact O-CD 3.25Å; S1047-R1053 WeakPolarHBondContact O-CD 3.28Å; S1047-F1093 CarbonylContact C-O 3.58Å; S1047-F1093 WeakPolarHBondContact CA-O 3.4Å; S1047-F1093 PolarHBondContact OG-O 3.39Å
1048I74.8Confident84.7Confident91 Ų9157.4 Ų57.447%0.46730%0.303SS..THydrogen-bonded Turntrans-58.5-29.6176.7-60.6172.8000111.6N1050 F1093 M1094I1048-N1050 PolarHBondContact O-N 3Å; I1048-N1050 VanDerWaalsContact O-N 3.15Å; I1048-F1093 PolarHBondContact N-O 2.97Å; I1048-M1094 WeakPolarHBondContact CD1-O 3.46Å
1049V74.8Confident84.3Confident115 Ų11558.9 Ų58.970%0.69732%0.318SS*.THydrogen-bonded Turntrans-68.8-9.5179.8-46.30000113.5S1047 F1093S1047-V1049 PolarHBondContact O-N 3.03Å; V1049-F1093 HydrophobicContact CG1-CB 4.33Å
1050N77.8Confident83.8Confident43 Ų4361 Ų6123%0.2333%0.331CS..  trans-94.8116169.2177.715.4000109.8N1044 S1047 I1048 L1052 R1053N1044-N1050 WeakPolarHBondContact O-CB 3.48Å; N1044-N1050 PolarHBondContact O-ND2 3.48Å; S1047-N1050 PolarHBondContact O-N 3.18Å; S1047-N1050 VanDerWaalsContact O-N 3.08Å; I1048-N1050 PolarHBondContact O-N 3Å; I1048-N1050 VanDerWaalsContact O-N 3.15Å; N1050-L1052 VanDerWaalsContact C-N 3.26Å; N1050-L1052 PolarHBondContact O-N 3.08Å; N1050-L1052 WeakPolarHBondContact OD1-CA 3.39Å; N1050-L1052 PolarHBondContact OD1-N 2.92Å; N1050-R1053 HydrophobicContact CB-CB 4.06Å; N1050-R1053 WeakPolarHBondContact ND2-CA 3.26Å; N1050-R1053 PolarHBondContact ND2-N 3.19Å; N1050-R1053 WeakPolarHBondContact O-CB 3.35Å; N1050-R1053 WeakPolarHBondContact O-CD 3.31Å; N1050-R1053 WeakPolarHBondContact O-CG 3.46Å; N1050-R1053 PolarHBondContact O-N 3.05Å; N1050-R1053 PolarHBondContact O-NH1 3.41Å
1051P73.4Confident83.4Confident112 Ų11260.3 Ų60.373%0.72732%0.324SS*.THydrogen-bonded Turntrans-65.1-29.6173.6-21.734.3000113.1R1053P1051-R1053 VanDerWaalsContact C-N 3.33Å
1052L77.2Confident83.4Confident146 Ų14666.3 Ų66.376%0.76435%0.346SS*.THydrogen-bonded Turntrans-93.717.2-177.4-56.6178.7000113.1N1050N1050-L1052 VanDerWaalsContact C-N 3.26Å; N1050-L1052 PolarHBondContact O-N 3.08Å; N1050-L1052 WeakPolarHBondContact OD1-CA 3.39Å; N1050-L1052 PolarHBondContact OD1-N 2.92Å
1053R83.1Confident83.5Confident111 Ų11165.4 Ų65.442%0.41934%0.338SS..  trans-65.5142.6-178.175-170.5175.2-74.8-9.8111.5D1045 S1047 N1050 P1051D1045-R1053 WeakPolarHBondContact O-CB 3.42Å; S1047-R1053 VanDerWaalsContact O-CD 3.25Å; S1047-R1053 WeakPolarHBondContact O-CD 3.28Å; N1050-R1053 HydrophobicContact CB-CB 4.06Å; N1050-R1053 WeakPolarHBondContact ND2-CA 3.26Å; N1050-R1053 PolarHBondContact ND2-N 3.19Å; N1050-R1053 WeakPolarHBondContact O-CB 3.35Å; N1050-R1053 WeakPolarHBondContact O-CD 3.31Å; N1050-R1053 WeakPolarHBondContact O-CG 3.46Å; N1050-R1053 PolarHBondContact O-N 3.05Å; N1050-R1053 PolarHBondContact O-NH1 3.41Å; P1051-R1053 VanDerWaalsContact C-N 3.33Å
1054K82.8Confident84.1Confident122 Ų12263.6 Ų63.653%0.5333%0.326SS..  trans-102.6-3.5178.5-56.7-172.1172.1-158.70115.9D1045 E1058D1045-K1054 HydrophobicContact CB-CB 4.35Å; D1045-K1054 WeakPolarHBondContact OD1-CB 3.32Å; D1045-K1054 WeakPolarHBondContact OD1-CG 3.44Å; D1045-K1054 PolarHBondContact OD1-N 3.05Å; K1054-E1058 HydrophobicContact CB-CB 3.54Å; K1054-E1058 HydrophobicContact CD-CB 4.27Å
1055G83.8Confident84.5Confident14 Ų1461.3 Ų61.314%0.14431%0.312CS..  trans76.6-173.8-178.700000113.6D1045 Y1057D1045-G1055 VanDerWaalsContact O-CA 3.26Å; D1045-G1055 WeakPolarHBondContact O-CA 3.18Å; D1045-G1055 PolarHBondContact O-N 2.83Å; G1055-Y1057 PolarHBondContact O-N 2.96Å
1056L88.9Confident85.1Confident1 Ų162.5 Ų62.51%0.00532%0.317CS..THydrogen-bonded Turntrans-64.9-33-170.6-173.363.1000115L1046 G1061 R1062 F1064 F1065 D1098 N1101 I1102L1046-L1056 HydrophobicContact CD2-CB 4.08Å; L1046-L1056 HydrophobicContact CD2-CD1 3.74Å; L1056-G1061 CarbonylContact O-C 3.56Å; L1056-R1062 WeakPolarHBondContact O-CA 3.38Å; L1056-R1062 PolarHBondContact O-N 2.68Å; L1056-F1064 HydrophobicContact CD1-CB 3.83Å; L1056-F1064 HydrophobicContact CD1-CD1 3.72Å; L1056-F1064 HydrophobicContact CD1-CG 3.94Å; L1056-F1064 HydrophobicContact CD2-CD1 4.36Å; L1056-F1064 HydrophobicContact CG-CD1 4.34Å; L1056-F1065 HydrophobicContact CD2-CZ 4.04Å; L1056-F1065 HydrophobicContact CG-CE2 4.11Å; L1056-F1065 HydrophobicContact CG-CZ 3.86Å; L1056-F1065 WeakPolarHBondContact O-CE2 3.27Å; L1056-D1098 HydrophobicContact CB-CB 4.15Å; L1056-D1098 VanDerWaalsContact CB-OD1 3.23Å; L1056-D1098 WeakPolarHBondContact CB-OD1 3.36Å; L1056-D1098 PolarHBondContact N-OD1 2.97Å; L1056-N1101 HydrophobicContact CD2-CB 3.75Å; L1056-I1102 HydrophobicContact CD1-CD1 4.04Å; L1056-I1102 HydrophobicContact CD1-CG1 3.92Å; L1056-I1102 HydrophobicContact CD2-CG1 4.07Å
1057Y86.5Confident85.9Confident121 Ų12162.5 Ų62.548%0.47532%0.317SS..THydrogen-bonded Turntrans-90-9-172-60.1-82.1000114G1055 F1065 N1101G1055-Y1057 PolarHBondContact O-N 2.96Å; Y1057-F1065 AromaticContact CD1-CE2 3.79Å; Y1057-F1065 HydrophobicContact CD1-CE2 3.79Å; Y1057-F1065 AromaticContact CD1-CZ 3.72Å; Y1057-F1065 HydrophobicContact CD1-CZ 3.72Å; Y1057-F1065 HydrophobicContact CE1-CE1 4.42Å; Y1057-F1065 HydrophobicContact CE1-CE2 4.09Å; Y1057-F1065 AromaticContact CE1-CZ 3.51Å; Y1057-F1065 HydrophobicContact CE1-CZ 3.51Å; Y1057-N1101 PolarHBondContact OH-ND2 3.46Å
1058E81.1Confident86.7Confident103 Ų10365.1 Ų65.148%0.48133%0.326SS..SBendtrans-127.2177.2-174.9-86.4-158.4-135.600113.5K1054 T1060 G1061 R1062K1054-E1058 HydrophobicContact CB-CB 3.54Å; K1054-E1058 HydrophobicContact CD-CB 4.27Å; E1058-T1060 PolarHBondContact O-N 3.13Å; E1058-G1061 PolarHBondContact O-N 3.12Å; E1058-R1062 PolarHBondContact O-N 2.98Å
1059G88.9Confident87.8Confident31 Ų3164.4 Ų64.432%0.3232%0.317SS..THydrogen-bonded Turntrans53.8-126.6176.100000112.9R1062G1059-R1062 WeakPolarHBondContact O-CG 3.36Å
1060T86.8Confident88.9Confident45 Ų4559 Ų5928%0.27628%0.284SS..THydrogen-bonded Turntrans-87.8-17.2172.255.80000113.7P1042 D1045 E1058 R1062 L1063P1042-T1060 HydrophobicContact CB-CG2 4.5Å; D1045-T1060 WeakPolarHBondContact OD2-CB 3.37Å; D1045-T1060 PolarHBondContact OD2-N 3.09Å; D1045-T1060 PolarHBondContact OD2-OG1 3.4Å; E1058-T1060 PolarHBondContact O-N 3.13Å; T1060-R1062 PolarHBondContact O-N 3.13Å; T1060-L1063 VanDerWaalsContact O-CB 3.29Å; T1060-L1063 WeakPolarHBondContact O-CB 3.48Å; T1060-L1063 WeakPolarHBondContact O-CG 3.42Å; T1060-L1063 PolarHBondContact O-N 2.83Å; T1060-L1063 VanDerWaalsContact O-N 3.09Å
1061G87.1Confident89.7Confident0 Ų057 Ų570%027%0.273CS..THydrogen-bonded Turntrans-58.2-37.1179.300000112.4L1056 E1058 L1063 F1064L1056-G1061 CarbonylContact O-C 3.56Å; E1058-G1061 PolarHBondContact O-N 3.12Å; G1061-L1063 PolarHBondContact O-N 3.35Å; G1061-F1064 WeakPolarHBondContact O-CB 3.33Å; G1061-F1064 PolarHBondContact O-N 3.48Å
1062R92.7Very high90.7Very high129 Ų12954.8 Ų54.849%0.48725%0.253SS..THydrogen-bonded Turntrans-57-19.4177.469.4179.952.2163.5-5.3114.9L1056 E1058 G1059 T1060 F1064 F1065L1056-R1062 WeakPolarHBondContact O-CA 3.38Å; L1056-R1062 PolarHBondContact O-N 2.68Å; E1058-R1062 PolarHBondContact O-N 2.98Å; G1059-R1062 WeakPolarHBondContact O-CG 3.36Å; T1060-R1062 PolarHBondContact O-N 3.13Å; R1062-F1064 PolarHBondContact O-N 3.26Å; R1062-F1065 HydrophobicContact CB-CD2 4.32Å; R1062-F1065 WeakPolarHBondContact O-CB 3.27Å; R1062-F1065 WeakPolarHBondContact O-CD2 3.09Å; R1062-F1065 PolarHBondContact O-N 3.21Å
1063L94.5Very high91.5Very high29 Ų2951.1 Ų51.115%0.15223%0.234CC..Hα-helixtrans-66.2-15.7177.2-64.5173.3000112.4F973 V1020 P1042 T1060 G1061 F1065 E1066 F1067F973-L1063 HydrophobicContact CE1-CB 3.85Å; F973-L1063 HydrophobicContact CE1-CD1 4.12Å; F973-L1063 HydrophobicContact CE1-CD2 4.32Å; F973-L1063 HydrophobicContact CE1-CG 4.32Å; F973-L1063 HydrophobicContact CZ-CB 3.74Å; F973-L1063 WeakPolarHBondContact CZ-O 3.43Å; V1020-L1063 HydrophobicContact CG1-CD2 4.25Å; P1042-L1063 HydrophobicContact CG-CD1 4Å; T1060-L1063 VanDerWaalsContact O-CB 3.29Å; T1060-L1063 WeakPolarHBondContact O-CB 3.48Å; T1060-L1063 WeakPolarHBondContact O-CG 3.42Å; T1060-L1063 PolarHBondContact O-N 2.83Å; T1060-L1063 VanDerWaalsContact O-N 3.09Å; G1061-L1063 PolarHBondContact O-N 3.35Å; L1063-F1065 VanDerWaalsContact C-N 3.27Å; L1063-F1065 PolarHBondContact O-N 2.99Å; L1063-E1066 HydrophobicContact CD2-CG 4.39Å; L1063-E1066 PolarHBondContact O-N 3.17Å; L1063-F1067 PolarHBondContact O-N 3.47Å
1064F96.9Very high92Very high0 Ų046.5 Ų46.50%022%0.218CC..Hα-helixtrans-54.9-41.4162.7168.3-109.8000112.6L1056 G1061 R1062 E1066 F1067 Y1068 F1088 I1102 F1105 L1106L1056-F1064 HydrophobicContact CD1-CB 3.83Å; L1056-F1064 HydrophobicContact CD1-CD1 3.72Å; L1056-F1064 HydrophobicContact CD1-CG 3.94Å; L1056-F1064 HydrophobicContact CD2-CD1 4.36Å; L1056-F1064 HydrophobicContact CG-CD1 4.34Å; G1061-F1064 WeakPolarHBondContact O-CB 3.33Å; G1061-F1064 PolarHBondContact O-N 3.48Å; R1062-F1064 PolarHBondContact O-N 3.26Å; F1064-E1066 VanDerWaalsContact C-N 3.25Å; F1064-E1066 PolarHBondContact O-N 2.91Å; F1064-F1067 WeakPolarHBondContact O-CB 3.42Å; F1064-F1067 PolarHBondContact O-N 3.38Å; F1064-Y1068 PolarHBondContact O-N 3.3Å; F1064-F1088 HydrophobicContact CD2-CD1 4.36Å; F1064-F1088 AromaticContact CD2-CE1 3.77Å; F1064-F1088 HydrophobicContact CD2-CE1 3.77Å; F1064-F1088 HydrophobicContact CD2-CE2 4.14Å; F1064-F1088 AromaticContact CD2-CZ 3.66Å; F1064-F1088 HydrophobicContact CD2-CZ 3.66Å; F1064-F1088 HydrophobicContact CE2-CD1 4.4Å; F1064-F1088 HydrophobicContact CE2-CE1 4.18Å; F1064-F1088 HydrophobicContact CE2-CZ 4.46Å; F1064-I1102 HydrophobicContact CD1-CG1 4.25Å; F1064-I1102 HydrophobicContact CD2-CG1 4.24Å; F1064-I1102 HydrophobicContact CD2-CG2 4.39Å; F1064-I1102 HydrophobicContact CE1-CG1 4.14Å; F1064-I1102 HydrophobicContact CE2-CB 4.36Å; F1064-I1102 HydrophobicContact CE2-CG1 4.15Å; F1064-I1102 HydrophobicContact CE2-CG2 3.76Å; F1064-I1102 HydrophobicContact CG-CG1 4.29Å; F1064-I1102 HydrophobicContact CZ-CB 4.22Å; F1064-I1102 HydrophobicContact CZ-CG1 4.09Å; F1064-I1102 HydrophobicContact CZ-CG2 4.01Å; F1064-F1105 HydrophobicContact CE1-CB 3.76Å; F1064-F1105 HydrophobicContact CE1-CD2 4.03Å; F1064-F1105 HydrophobicContact CE1-CG 4.04Å; F1064-F1105 HydrophobicContact CZ-CB 3.65Å; F1064-F1105 HydrophobicContact CZ-CG 4.43Å; F1064-L1106 HydrophobicContact CE2-CD1 3.93Å; F1064-L1106 HydrophobicContact CE2-CD2 4.02Å; F1064-L1106 HydrophobicContact CE2-CG 3.84Å; F1064-L1106 HydrophobicContact CZ-CD1 4.48Å; F1064-L1106 HydrophobicContact CZ-CD2 4.26Å; F1064-L1106 HydrophobicContact CZ-CG 3.96Å
1065F96.4Very high92.3Very high46 Ų4644.1 Ų44.120%0.20221%0.207CC..Hα-helixtrans-69.8-23.1-178.4-60.3-64000113L1056 Y1057 R1062 L1063 R1069 F1105L1056-F1065 HydrophobicContact CD2-CZ 4.04Å; L1056-F1065 HydrophobicContact CG-CE2 4.11Å; L1056-F1065 HydrophobicContact CG-CZ 3.86Å; L1056-F1065 WeakPolarHBondContact O-CE2 3.27Å; Y1057-F1065 AromaticContact CD1-CE2 3.79Å; Y1057-F1065 HydrophobicContact CD1-CE2 3.79Å; Y1057-F1065 AromaticContact CD1-CZ 3.72Å; Y1057-F1065 HydrophobicContact CD1-CZ 3.72Å; Y1057-F1065 HydrophobicContact CE1-CE1 4.42Å; Y1057-F1065 HydrophobicContact CE1-CE2 4.09Å; Y1057-F1065 AromaticContact CE1-CZ 3.51Å; Y1057-F1065 HydrophobicContact CE1-CZ 3.51Å; R1062-F1065 HydrophobicContact CB-CD2 4.32Å; R1062-F1065 WeakPolarHBondContact O-CB 3.27Å; R1062-F1065 WeakPolarHBondContact O-CD2 3.09Å; R1062-F1065 PolarHBondContact O-N 3.21Å; L1063-F1065 VanDerWaalsContact C-N 3.27Å; L1063-F1065 PolarHBondContact O-N 2.99Å; F1065-R1069 WeakPolarHBondContact O-CB 3.43Å; F1065-R1069 PolarHBondContact O-N 3.24Å; F1065-F1105 AromaticContact CE1-CD2 3.9Å; F1065-F1105 HydrophobicContact CE1-CD2 3.9Å; F1065-F1105 HydrophobicContact CE1-CE1 4.24Å; F1065-F1105 AromaticContact CE1-CE2 3.62Å; F1065-F1105 HydrophobicContact CE1-CE2 3.62Å; F1065-F1105 HydrophobicContact CE1-CG 4.36Å; F1065-F1105 AromaticContact CE1-CZ 3.8Å; F1065-F1105 HydrophobicContact CE1-CZ 3.8Å; F1065-F1105 HydrophobicContact CZ-CE2 4.28Å
1066E97.4Very high92.4Very high43 Ų4344.7 Ų44.720%0.20121%0.209CC..Hα-helixtrans-71.8-39.8171.4-63.1-62.2157.300111.7V1020 R1021 L1063 F1064 R1069 I1070V1020-E1066 HydrophobicContact CB-CB 4.49Å; V1020-E1066 HydrophobicContact CG1-CB 3.77Å; V1020-E1066 HydrophobicContact CG1-CG 3.95Å; V1020-E1066 HydrophobicContact CG2-CB 3.88Å; R1021-E1066 HydrophobicContact CG-CG 4.02Å; L1063-E1066 HydrophobicContact CD2-CG 4.39Å; L1063-E1066 PolarHBondContact O-N 3.17Å; F1064-E1066 VanDerWaalsContact C-N 3.25Å; F1064-E1066 PolarHBondContact O-N 2.91Å; E1066-R1069 PolarHBondContact O-N 3.38Å; E1066-R1069 IonicContact OE2-CZ 2.79Å; E1066-R1069 IonicContact OE2-NE 2.9Å; E1066-R1069 PolarHBondContact OE2-NE 3.12Å; E1066-R1069 IonicContact OE2-NH2 2.68Å; E1066-R1069 PolarHBondContact OE2-NH2 2.96Å; E1066-I1070 WeakPolarHBondContact O-CG1 3.48Å; E1066-I1070 PolarHBondContact O-N 2.74Å
1067F98.3Very high91.9Very high0 Ų053.1 Ų53.10%025%0.245CC..Hα-helixtrans-61.3-48.3170.2-179.1-84.5000110.9L972 F973 L1037 L1063 F1064 R1069 I1070 L1071 W1086 F1088 L1106L972-F1067 HydrophobicContact CB-CD2 4.48Å; L972-F1067 HydrophobicContact CD1-CB 4.46Å; L972-F1067 HydrophobicContact CD1-CD2 3.97Å; F973-F1067 HydrophobicContact CE2-CB 4.45Å; L1037-F1067 HydrophobicContact CD1-CE2 4.37Å; L1037-F1067 HydrophobicContact CD2-CE2 4.27Å; L1037-F1067 HydrophobicContact CD2-CZ 4.18Å; L1037-F1067 HydrophobicContact CG-CE2 3.92Å; L1037-F1067 HydrophobicContact CG-CZ 4.11Å; L1063-F1067 PolarHBondContact O-N 3.47Å; F1064-F1067 WeakPolarHBondContact O-CB 3.42Å; F1064-F1067 PolarHBondContact O-N 3.38Å; F1067-R1069 PolarHBondContact O-N 3.19Å; F1067-I1070 PolarHBondContact O-N 3.26Å; F1067-L1071 HydrophobicContact CE1-CB 4.44Å; F1067-L1071 HydrophobicContact CE1-CD2 4.18Å; F1067-L1071 WeakPolarHBondContact O-CB 3.21Å; F1067-L1071 PolarHBondContact O-N 3.3Å; F1067-W1086 AromaticContact CE1-CE3 3.97Å; F1067-W1086 HydrophobicContact CE1-CE3 3.97Å; F1067-W1086 HydrophobicContact CE1-CZ3 4.36Å; F1067-W1086 HydrophobicContact CZ-CE3 4.03Å; F1067-F1088 HydrophobicContact CB-CD2 4.31Å; F1067-F1088 HydrophobicContact CB-CE2 4.38Å; F1067-F1088 HydrophobicContact CD1-CB 4.22Å; F1067-F1088 AromaticContact CD1-CD2 3.81Å; F1067-F1088 HydrophobicContact CD1-CD2 3.81Å; F1067-F1088 HydrophobicContact CD1-CG 4.22Å; F1067-F1088 AromaticContact CD2-CD2 3.96Å; F1067-F1088 HydrophobicContact CD2-CD2 3.96Å; F1067-F1088 HydrophobicContact CE1-CB 3.72Å; F1067-F1088 HydrophobicContact CE1-CD2 4.13Å; F1067-F1088 HydrophobicContact CE1-CG 4.23Å; F1067-F1088 HydrophobicContact CE2-CB 4.46Å; F1067-F1088 HydrophobicContact CE2-CD2 4.26Å; F1067-F1088 AromaticContact CG-CD2 3.74Å; F1067-F1088 HydrophobicContact CG-CD2 3.74Å; F1067-F1088 HydrophobicContact CG-CE2 4.3Å; F1067-F1088 HydrophobicContact CZ-CB 3.86Å; F1067-F1088 HydrophobicContact CZ-CD2 4.36Å; F1067-L1106 HydrophobicContact CD1-CD2 4.4Å; F1067-L1106 HydrophobicContact CE1-CD2 4.28Å
1068Y97.6Very high91.2Very high66 Ų6650.2 Ų50.226%0.25925%0.252SS..Hα-helixtrans-59.7-45.1177171.8-99.1000112.2F1064 I1070 L1071 Q1072 F1105F1064-Y1068 PolarHBondContact O-N 3.3Å; Y1068-I1070 PolarHBondContact O-N 2.81Å; Y1068-L1071 WeakPolarHBondContact O-CB 3.23Å; Y1068-L1071 PolarHBondContact O-N 3.13Å; Y1068-Q1072 HydrophobicContact CD2-CG 4.33Å; Y1068-Q1072 HydrophobicContact CE1-CG 4.13Å; Y1068-Q1072 HydrophobicContact CE2-CG 3.86Å; Y1068-Q1072 WeakPolarHBondContact O-CG 3.28Å; Y1068-Q1072 PolarHBondContact O-N 3.47Å; Y1068-F1105 HydrophobicContact CD1-CD1 4.28Å; Y1068-F1105 HydrophobicContact CD2-CB 4.06Å; Y1068-F1105 HydrophobicContact CD2-CD1 4.32Å; Y1068-F1105 WeakPolarHBondContact CD2-O 3.3Å; Y1068-F1105 HydrophobicContact CE1-CD1 4.03Å; Y1068-F1105 HydrophobicContact CE1-CE1 4.48Å; Y1068-F1105 HydrophobicContact CE2-CB 4.22Å; Y1068-F1105 HydrophobicContact CE2-CD1 4.06Å; Y1068-F1105 WeakPolarHBondContact CE2-O 3.47Å; Y1068-F1105 HydrophobicContact CG-CD1 4.43Å; Y1068-F1105 AromaticContact CZ-CD1 3.92Å
1069R97.2Very high91Very high76 Ų7652.9 Ų52.929%0.28727%0.27SS..Hα-helixtrans-56.9-48.9176.5-180-17966.880.2-3.8111.4V1020 I1023 F1065 E1066 F1067 Q1072 L1073V1020-R1069 PolarHBondContact O-NH2 3.16Å; I1023-R1069 PolarHBondContact O-NH1 2.75Å; I1023-R1069 PolarHBondContact O-NH2 3.46Å; I1023-R1069 VanDerWaalsContact O-NH2 3.17Å; F1065-R1069 WeakPolarHBondContact O-CB 3.43Å; F1065-R1069 PolarHBondContact O-N 3.24Å; E1066-R1069 PolarHBondContact O-N 3.38Å; E1066-R1069 IonicContact OE2-CZ 2.79Å; E1066-R1069 IonicContact OE2-NE 2.9Å; E1066-R1069 PolarHBondContact OE2-NE 3.12Å; E1066-R1069 IonicContact OE2-NH2 2.68Å; E1066-R1069 PolarHBondContact OE2-NH2 2.96Å; F1067-R1069 PolarHBondContact O-N 3.19Å; R1069-Q1072 PolarHBondContact O-N 3.28Å; R1069-L1073 HydrophobicContact CG-CD1 4.37Å; R1069-L1073 WeakPolarHBondContact O-CG 3.35Å; R1069-L1073 PolarHBondContact O-N 3.4Å; R1069-L1073 VanDerWaalsContact O-N 3.17Å
1070I97.5Very high90.8Very high0 Ų054.3 Ų54.30%027%0.27CS..Hα-helixtrans-69.9-35.3-179.7-68.7168.5000111.2L970 L972 V1020 I1023 L1028 L1037 E1066 F1067 Y1068 L1073 L1074L970-I1070 HydrophobicContact CD2-CG2 3.65Å; L972-I1070 HydrophobicContact CD1-CB 4.08Å; L972-I1070 HydrophobicContact CD1-CD1 3.73Å; L972-I1070 HydrophobicContact CD1-CG2 4.09Å; L972-I1070 HydrophobicContact CD2-CD1 4.14Å; V1020-I1070 HydrophobicContact CG2-CD1 3.47Å; V1020-I1070 VanDerWaalsContact CG2-CD1 3.47Å; I1023-I1070 HydrophobicContact CB-CD1 4.05Å; I1023-I1070 HydrophobicContact CD1-CD1 4.14Å; I1023-I1070 HydrophobicContact CG2-CD1 4.08Å; L1028-I1070 HydrophobicContact CD1-CG2 4.26Å; L1028-I1070 HydrophobicContact CD2-CG2 4.35Å; L1037-I1070 HydrophobicContact CD1-CG2 4.14Å; L1037-I1070 HydrophobicContact CD2-CG2 4.33Å; E1066-I1070 WeakPolarHBondContact O-CG1 3.48Å; E1066-I1070 PolarHBondContact O-N 2.74Å; F1067-I1070 PolarHBondContact O-N 3.26Å; Y1068-I1070 PolarHBondContact O-N 2.81Å; I1070-L1073 PolarHBondContact O-N 3.22Å; I1070-L1074 HydrophobicContact CG2-CD1 3.84Å; I1070-L1074 HydrophobicContact CG2-CG 4.32Å; I1070-L1074 WeakPolarHBondContact O-CB 3.4Å; I1070-L1074 WeakPolarHBondContact O-CG 3.46Å; I1070-L1074 PolarHBondContact O-N 3.22Å
1071L96.3Very high90.6Very high2 Ų259.9 Ų59.91%0.0129%0.293CS..Hα-helixtrans-58.6-48.4172.5174.760.2000111.8L1037 F1067 Y1068 L1073 L1074 K1075 F1084 W1086 L1106L1037-L1071 VanDerWaalsContact CD2-CA 3.49Å; L1037-L1071 HydrophobicContact CD2-CB 3.73Å; L1037-L1071 HydrophobicContact CD2-CD1 4Å; L1037-L1071 HydrophobicContact CD2-CG 4.48Å; F1067-L1071 HydrophobicContact CE1-CB 4.44Å; F1067-L1071 HydrophobicContact CE1-CD2 4.18Å; F1067-L1071 WeakPolarHBondContact O-CB 3.21Å; F1067-L1071 PolarHBondContact O-N 3.3Å; Y1068-L1071 WeakPolarHBondContact O-CB 3.23Å; Y1068-L1071 PolarHBondContact O-N 3.13Å; L1071-L1073 VanDerWaalsContact C-N 3.28Å; L1071-L1073 PolarHBondContact O-N 3.29Å; L1071-L1074 PolarHBondContact O-N 3.14Å; L1071-L1074 VanDerWaalsContact O-N 3.13Å; L1071-K1075 HydrophobicContact CD1-CG 4.45Å; L1071-K1075 PolarHBondContact O-N 3.18Å; L1071-F1084 HydrophobicContact CD1-CE1 3.8Å; L1071-F1084 HydrophobicContact CD1-CZ 4.1Å; L1071-W1086 HydrophobicContact CD1-CB 3.93Å; L1071-W1086 HydrophobicContact CD1-CD2 4Å; L1071-W1086 HydrophobicContact CD1-CG 3.55Å; L1071-W1086 HydrophobicContact CD2-CD2 3.92Å; L1071-W1086 HydrophobicContact CD2-CE3 4.14Å; L1071-W1086 HydrophobicContact CD2-CG 4.38Å; L1071-W1086 HydrophobicContact CD2-CZ2 4.35Å; L1071-W1086 HydrophobicContact CD2-CZ3 4.48Å; L1071-L1106 HydrophobicContact CD2-CD2 3.87Å
1072Q94.5Very high90.7Very high65 Ų6561.3 Ų61.330%0.30430%0.298SS..Hα-helixtrans-67.5-28178.6-58.4-60.6-2300112.7Y1068 R1069 K1075Y1068-Q1072 HydrophobicContact CD2-CG 4.33Å; Y1068-Q1072 HydrophobicContact CE1-CG 4.13Å; Y1068-Q1072 HydrophobicContact CE2-CG 3.86Å; Y1068-Q1072 WeakPolarHBondContact O-CG 3.28Å; Y1068-Q1072 PolarHBondContact O-N 3.47Å; R1069-Q1072 PolarHBondContact O-N 3.28Å; Q1072-K1075 VanDerWaalsContact OE1-CD 3.32Å; Q1072-K1075 VanDerWaalsContact OE1-CE 3.27Å
1073L93.7Very high90.7Very high69 Ų6956.3 Ų56.336%0.36128%0.282SS..Hα-helixtrans-74.3-22.9172.5-69.5171.6000113.5Q1025 L1028 R1069 I1070 L1071Q1025-L1073 HydrophobicContact CB-CD2 4.39Å; Q1025-L1073 HydrophobicContact CG-CD2 4.36Å; L1028-L1073 HydrophobicContact CD1-CB 3.91Å; L1028-L1073 HydrophobicContact CD1-CD1 4.04Å; R1069-L1073 HydrophobicContact CG-CD1 4.37Å; R1069-L1073 WeakPolarHBondContact O-CG 3.35Å; R1069-L1073 PolarHBondContact O-N 3.4Å; R1069-L1073 VanDerWaalsContact O-N 3.17Å; I1070-L1073 PolarHBondContact O-N 3.22Å; L1071-L1073 VanDerWaalsContact C-N 3.28Å; L1071-L1073 PolarHBondContact O-N 3.29Å
1074L93Very high90.7Very high15 Ų1555.1 Ų55.18%0.07928%0.276CS..Hα-helixtrans-103.4-15-178.3-68.2-179.2000114.9L970 L1028 F1034 L1037 I1070 L1071 P1076 F1084L970-L1074 HydrophobicContact CD2-CD1 3.8Å; L1028-L1074 HydrophobicContact CB-CD2 4.31Å; L1028-L1074 HydrophobicContact CD1-CD2 4.22Å; L1028-L1074 HydrophobicContact CD1-CG 4.32Å; L1028-L1074 HydrophobicContact CD2-CD1 4.49Å; L1028-L1074 HydrophobicContact CD2-CD2 4.39Å; F1034-L1074 HydrophobicContact CB-CD1 4.29Å; F1034-L1074 HydrophobicContact CD2-CD1 3.95Å; F1034-L1074 HydrophobicContact CD2-CD2 3.93Å; F1034-L1074 HydrophobicContact CG-CD1 4.49Å; L1037-L1074 HydrophobicContact CD1-CD1 4.33Å; L1037-L1074 HydrophobicContact CD2-CD1 4.35Å; I1070-L1074 HydrophobicContact CG2-CD1 3.84Å; I1070-L1074 HydrophobicContact CG2-CG 4.32Å; I1070-L1074 WeakPolarHBondContact O-CB 3.4Å; I1070-L1074 WeakPolarHBondContact O-CG 3.46Å; I1070-L1074 PolarHBondContact O-N 3.22Å; L1071-L1074 PolarHBondContact O-N 3.14Å; L1071-L1074 VanDerWaalsContact O-N 3.13Å; L1074-P1076 WeakPolarHBondContact O-CD 3.46Å; L1074-F1084 HydrophobicContact CB-CE2 3.99Å; L1074-F1084 HydrophobicContact CB-CZ 3.72Å
1075K88.5Confident90.7Very high72 Ų7255.2 Ų55.231%0.31328%0.276SS..SBendtrans-51.6123.7171.9-85-171.5-176.2176.40109.6L1071 Q1072 E1107L1071-K1075 HydrophobicContact CD1-CG 4.45Å; L1071-K1075 PolarHBondContact O-N 3.18Å; Q1072-K1075 VanDerWaalsContact OE1-CD 3.32Å; Q1072-K1075 VanDerWaalsContact OE1-CE 3.27Å; K1075-E1107 IonicContact NZ-OE1 3.78Å; K1075-E1107 IonicContact NZ-OE2 3.61Å; K1075-E1107 PolarHBondContact NZ-OE2 3.31Å
1076P85.7Confident90.7Very high26 Ų2653.4 Ų53.417%0.16927%0.268CS..PPolyproline II helixtrans-54.9144.5174.2-26.934.2000112.2L1074 D1080 F1084L1074-P1076 WeakPolarHBondContact O-CD 3.46Å; P1076-D1080 HydrophobicContact CB-CB 3.95Å; P1076-F1084 VanDerWaalsContact CD-CD1 3.49Å; P1076-F1084 HydrophobicContact CG-CB 3.47Å; P1076-F1084 VanDerWaalsContact CG-CB 3.47Å; P1076-F1084 HydrophobicContact CG-CD1 4.33Å; P1076-F1084 HydrophobicContact CG-CG 4.08Å
1077K79.8Confident90.8Very high177 Ų17751.3 Ų51.377%0.7726%0.258SS*.PPolyproline II helixtrans-67.9158.4167.4-64.6174-176.3171.50108.8D1079 D1080K1077-D1079 PolarHBondContact O-N 2.99Å; K1077-D1079 VanDerWaalsContact O-N 3.1Å; K1077-D1080 PolarHBondContact O-N 3.37Å
1078G71.3Confident90.8Very high60 Ų6051.3 Ų51.362%0.61926%0.258SS*.THydrogen-bonded Turntrans-48.7-45-173.400000113.7R954 D1080R954-G1078 PolarHBondContact NH1-O 3.29Å; R954-G1078 PolarHBondContact NH2-O 3.11Å; G1078-D1080 VanDerWaalsContact C-N 3.31Å; G1078-D1080 PolarHBondContact O-N 2.94Å
1079D77Confident90.7Very high160 Ų16048.9 Ų48.986%0.85625%0.249SC*.THydrogen-bonded Turntrans-75.7-10.5-176.6-39.6-52.2000114.5K1077 E1081K1077-D1079 PolarHBondContact O-N 2.99Å; K1077-D1079 VanDerWaalsContact O-N 3.1Å; D1079-E1081 PolarHBondContact O-N 2.8Å
1080D84.3Confident90.7Very high60 Ų6045.3 Ų45.332%0.32124%0.236SC..  trans-85.5100.3177.7-179.421.8000110.1R954 P1076 K1077 G1078 R1082R954-D1080 PolarHBondContact NH1-O 2.77Å; P1076-D1080 HydrophobicContact CB-CB 3.95Å; K1077-D1080 PolarHBondContact O-N 3.37Å; G1078-D1080 VanDerWaalsContact C-N 3.31Å; G1078-D1080 PolarHBondContact O-N 2.94Å; D1080-R1082 PolarHBondContact O-N 3.33Å; D1080-R1082 WeakPolarHBondContact OD1-CB 3.36Å; D1080-R1082 PolarHBondContact OD1-N 3.44Å; D1080-R1082 IonicContact OD2-CZ 2.78Å; D1080-R1082 IonicContact OD2-NE 2.77Å; D1080-R1082 PolarHBondContact OD2-NE 3.36Å; D1080-R1082 IonicContact OD2-NH2 3.66Å
1081E83.5Confident90.4Very high162 Ų16245.9 Ų45.976%0.75724%0.24SC*.  trans-69.6-6.7179.4-62-162.5137.400114.6D1079 P1083D1079-E1081 PolarHBondContact O-N 2.8Å; E1081-P1083 WeakPolarHBondContact O-CD 3.41Å
1082R89Confident90Very high31 Ų3147.2 Ų47.212%0.11725%0.247CC..  trans-54.5124.6-177.7179.9175.370.285.23.5112.7Y956 R965 F1034 D1035 D1080 F1084Y956-R1082 VanDerWaalsContact CE1-O 3.23Å; Y956-R1082 WeakPolarHBondContact CE1-O 3.38Å; R965-R1082 VanDerWaalsContact NH2-CD 3.31Å; R965-R1082 VanDerWaalsContact NH2-CG 3.3Å; F1034-R1082 PolarHBondContact O-NH1 2.76Å; D1035-R1082 WeakPolarHBondContact OD1-CD 3.39Å; D1035-R1082 IonicContact OD1-CZ 3.22Å; D1035-R1082 IonicContact OD1-NH1 2.77Å; D1035-R1082 PolarHBondContact OD1-NH1 3.37Å; D1080-R1082 PolarHBondContact O-N 3.33Å; D1080-R1082 WeakPolarHBondContact OD1-CB 3.36Å; D1080-R1082 PolarHBondContact OD1-N 3.44Å; D1080-R1082 IonicContact OD2-CZ 2.78Å; D1080-R1082 IonicContact OD2-NE 2.77Å; D1080-R1082 PolarHBondContact OD2-NE 3.36Å; D1080-R1082 IonicContact OD2-NH2 3.66Å; R1082-F1084 PolarHBondContact O-N 3.08Å
1083P92.8Very high89.6Confident24 Ų2450.3 Ų50.316%0.15626%0.26CS..  trans-56.5121.4170.5-24.834.5000111.4Y956 V959 E1081 F1085 Y1242 F1243Y956-P1083 HydrophobicContact CD1-CB 4.35Å; Y956-P1083 HydrophobicContact CG-CB 4.14Å; V959-P1083 HydrophobicContact CG2-CG 3.99Å; E1081-P1083 WeakPolarHBondContact O-CD 3.41Å; P1083-F1085 HydrophobicContact CB-CE2 3.69Å; P1083-F1085 HydrophobicContact CB-CZ 4.18Å; P1083-Y1242 HydrophobicContact CB-CD1 3.95Å; P1083-Y1242 HydrophobicContact CG-CD1 4.01Å; P1083-F1243 HydrophobicContact CB-CZ 4.44Å
1084F94.9Very high89.2Confident3 Ų347.4 Ų47.41%0.01325%0.245CC..  trans-128.6118.1175.7173.7-110.1000110.1Y956 F1034 D1035 L1037 L1071 L1074 P1076 R1082 N1130Y956-F1084 WeakPolarHBondContact CE2-O 3.25Å; F1034-F1084 VanDerWaalsContact O-CD2 3.25Å; F1034-F1084 WeakPolarHBondContact O-CD2 3.48Å; D1035-F1084 WeakPolarHBondContact O-CA 2.94Å; L1037-F1084 HydrophobicContact CB-CE2 4.13Å; L1037-F1084 HydrophobicContact CB-CZ 3.96Å; L1037-F1084 HydrophobicContact CD2-CZ 4.49Å; L1071-F1084 HydrophobicContact CD1-CE1 3.8Å; L1071-F1084 HydrophobicContact CD1-CZ 4.1Å; L1074-F1084 HydrophobicContact CB-CE2 3.99Å; L1074-F1084 HydrophobicContact CB-CZ 3.72Å; P1076-F1084 VanDerWaalsContact CD-CD1 3.49Å; P1076-F1084 HydrophobicContact CG-CB 3.47Å; P1076-F1084 VanDerWaalsContact CG-CB 3.47Å; P1076-F1084 HydrophobicContact CG-CD1 4.33Å; P1076-F1084 HydrophobicContact CG-CG 4.08Å; R1082-F1084 PolarHBondContact O-N 3.08Å; F1084-N1130 PolarHBondContact O-ND2 2.99Å
1085F96.1Very high88.7Confident2 Ų249.9 Ų49.91%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-111.8152-178.4-62.3-73000111.7Y956 D1035 L1036 L1037 P1083 N1130 I1131 P1132 L1239 Y1242 F1243Y956-F1085 HydrophobicContact CD2-CE1 4.1Å; Y956-F1085 HydrophobicContact CD2-CZ 4.17Å; D1035-F1085 PolarHBondContact O-N 3.14Å; L1036-F1085 CarbonylContact C-O 3.56Å; L1036-F1085 VanDerWaalsContact CA-O 3.28Å; L1036-F1085 WeakPolarHBondContact CA-O 3.4Å; L1036-F1085 HydrophobicContact CD1-CB 3.86Å; L1037-F1085 PolarHBondContact N-O 2.86Å; P1083-F1085 HydrophobicContact CB-CE2 3.69Å; P1083-F1085 HydrophobicContact CB-CZ 4.18Å; F1085-N1130 VanDerWaalsContact CA-OD1 3.24Å; F1085-N1130 WeakPolarHBondContact CA-OD1 3.42Å; F1085-I1131 HydrophobicContact CB-CG1 4.21Å; F1085-P1132 HydrophobicContact CE1-CG 4.31Å; F1085-L1239 HydrophobicContact CB-CD2 4.21Å; F1085-L1239 HydrophobicContact CD1-CD2 4.19Å; F1085-L1239 HydrophobicContact CD2-CD2 3.58Å; F1085-L1239 HydrophobicContact CE2-CD2 3.94Å; F1085-L1239 HydrophobicContact CG-CD2 3.7Å; F1085-L1239 HydrophobicContact CZ-CD2 4.4Å; F1085-Y1242 AromaticContact CE2-CD1 3.89Å; F1085-Y1242 HydrophobicContact CE2-CD1 3.89Å; F1085-Y1242 HydrophobicContact CE2-CD2 4.18Å; F1085-Y1242 HydrophobicContact CE2-CE1 4.27Å; F1085-Y1242 AromaticContact CE2-CG 3.84Å; F1085-Y1242 HydrophobicContact CE2-CG 3.84Å; F1085-Y1242 AromaticContact CZ-CD1 3.75Å; F1085-Y1242 HydrophobicContact CZ-CD1 3.75Å; F1085-Y1242 AromaticContact CZ-CD2 3.99Å; F1085-Y1242 HydrophobicContact CZ-CD2 3.99Å; F1085-Y1242 AromaticContact CZ-CE1 3.64Å; F1085-Y1242 HydrophobicContact CZ-CE1 3.64Å; F1085-Y1242 AromaticContact CZ-CE2 3.88Å; F1085-Y1242 HydrophobicContact CZ-CE2 3.88Å; F1085-Y1242 AromaticContact CZ-CG 3.92Å; F1085-Y1242 HydrophobicContact CZ-CG 3.92Å; F1085-Y1242 AromaticContact CZ-CZ 3.69Å; F1085-F1243 AromaticContact CD2-CE2 3.79Å; F1085-F1243 HydrophobicContact CD2-CE2 3.79Å; F1085-F1243 HydrophobicContact CD2-CZ 4.08Å; F1085-F1243 AromaticContact CE2-CE2 3.82Å; F1085-F1243 HydrophobicContact CE2-CE2 3.82Å; F1085-F1243 HydrophobicContact CE2-CZ 4.15Å
1086W97.1Very high88.5Confident8 Ų851.4 Ų51.43%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-147.3152.4173.166.7-88000112.8H953 L1037 F1067 L1071 F1088 L1106 W1128 G1129 N1130H953-W1086 AromaticContact NE2-CZ2 3.58Å; L1037-W1086 HydrophobicContact CB-CB 4.07Å; L1037-W1086 CarbonylContact O-C 3.57Å; L1037-W1086 WeakPolarHBondContact O-CA 3.46Å; L1037-W1086 WeakPolarHBondContact O-CB 3.43Å; F1067-W1086 AromaticContact CE1-CE3 3.97Å; F1067-W1086 HydrophobicContact CE1-CE3 3.97Å; F1067-W1086 HydrophobicContact CE1-CZ3 4.36Å; F1067-W1086 HydrophobicContact CZ-CE3 4.03Å; L1071-W1086 HydrophobicContact CD1-CB 3.93Å; L1071-W1086 HydrophobicContact CD1-CD2 4Å; L1071-W1086 HydrophobicContact CD1-CG 3.55Å; L1071-W1086 HydrophobicContact CD2-CD2 3.92Å; L1071-W1086 HydrophobicContact CD2-CE3 4.14Å; L1071-W1086 HydrophobicContact CD2-CG 4.38Å; L1071-W1086 HydrophobicContact CD2-CZ2 4.35Å; L1071-W1086 HydrophobicContact CD2-CZ3 4.48Å; W1086-F1088 HydrophobicContact CZ3-CB 4.2Å; W1086-L1106 HydrophobicContact CH2-CB 3.86Å; W1086-L1106 HydrophobicContact CH2-CD1 4.12Å; W1086-L1106 HydrophobicContact CH2-CD2 4.11Å; W1086-L1106 HydrophobicContact CH2-CG 4.26Å; W1086-L1106 HydrophobicContact CZ3-CB 4.48Å; W1086-L1106 HydrophobicContact CZ3-CD1 3.94Å; W1086-L1106 HydrophobicContact CZ3-CD2 4.04Å; W1086-L1106 HydrophobicContact CZ3-CG 4.39Å; W1086-W1128 HydrophobicContact CH2-CB 4.04Å; W1086-W1128 HydrophobicContact CZ3-CB 3.94Å; W1086-W1128 WeakPolarHBondContact CZ3-O 3.35Å; W1086-G1129 WeakPolarHBondContact O-CA 3.28Å; W1086-N1130 VanDerWaalsContact CD1-OD1 3.32Å; W1086-N1130 PolarHBondContact N-OD1 3.09Å; W1086-N1130 PolarHBondContact O-N 3.07Å
1087L98.1Very high88.2Confident0 Ų055.1 Ų55.10%029%0.289CS..EExtended strand (participates in β ladder)trans-143.9122-179.7-173.472.1000110.9L1037 I1038 G1039 F1127 W1128 I1131 M1134 L1235 F1236L1037-L1087 PolarHBondContact O-N 3.03Å; I1038-L1087 CarbonylContact C-O 3.46Å; I1038-L1087 WeakPolarHBondContact CA-O 3.42Å; I1038-L1087 HydrophobicContact CG2-CB 4.07Å; G1039-L1087 PolarHBondContact N-O 2.58Å; L1087-F1127 HydrophobicContact CD1-CB 4.15Å; L1087-F1127 HydrophobicContact CD1-CD1 4.1Å; L1087-F1127 HydrophobicContact CD2-CD1 4.28Å; L1087-F1127 HydrophobicContact CG-CD1 4.31Å; L1087-W1128 CarbonylContact C-O 3.49Å; L1087-W1128 WeakPolarHBondContact CA-O 3.46Å; L1087-I1131 HydrophobicContact CB-CD1 4.12Å; L1087-I1131 HydrophobicContact CD1-CD1 4.43Å; L1087-M1134 HydrophobicContact CD1-CE 3.42Å; L1087-M1134 VanDerWaalsContact CD1-CE 3.42Å; L1087-M1134 HydrophobicContact CD1-SD 3.95Å; L1087-L1235 HydrophobicContact CD1-CD1 4.47Å; L1087-L1235 HydrophobicContact CD2-CD1 4.17Å; L1087-F1236 HydrophobicContact CD2-CE1 3.8Å
1088F98.2Very high88.5Confident0 Ų047.1 Ų47.10%025%0.254CS..EExtended strand (participates in β ladder)trans-114.1130.6171.9-177.4-106.2000110.9G1039 S1041 F1064 F1067 W1086 N1090 I1102 L1106 F1127 W1128G1039-F1088 WeakPolarHBondContact O-CA 3.4Å; G1039-F1088 WeakPolarHBondContact O-CD2 3.34Å; S1041-F1088 WeakPolarHBondContact OG-CZ 3.33Å; F1064-F1088 HydrophobicContact CD2-CD1 4.36Å; F1064-F1088 AromaticContact CD2-CE1 3.77Å; F1064-F1088 HydrophobicContact CD2-CE1 3.77Å; F1064-F1088 HydrophobicContact CD2-CE2 4.14Å; F1064-F1088 AromaticContact CD2-CZ 3.66Å; F1064-F1088 HydrophobicContact CD2-CZ 3.66Å; F1064-F1088 HydrophobicContact CE2-CD1 4.4Å; F1064-F1088 HydrophobicContact CE2-CE1 4.18Å; F1064-F1088 HydrophobicContact CE2-CZ 4.46Å; F1067-F1088 HydrophobicContact CB-CD2 4.31Å; F1067-F1088 HydrophobicContact CB-CE2 4.38Å; F1067-F1088 HydrophobicContact CD1-CB 4.22Å; F1067-F1088 AromaticContact CD1-CD2 3.81Å; F1067-F1088 HydrophobicContact CD1-CD2 3.81Å; F1067-F1088 HydrophobicContact CD1-CG 4.22Å; F1067-F1088 AromaticContact CD2-CD2 3.96Å; F1067-F1088 HydrophobicContact CD2-CD2 3.96Å; F1067-F1088 HydrophobicContact CE1-CB 3.72Å; F1067-F1088 HydrophobicContact CE1-CD2 4.13Å; F1067-F1088 HydrophobicContact CE1-CG 4.23Å; F1067-F1088 HydrophobicContact CE2-CB 4.46Å; F1067-F1088 HydrophobicContact CE2-CD2 4.26Å; F1067-F1088 AromaticContact CG-CD2 3.74Å; F1067-F1088 HydrophobicContact CG-CD2 3.74Å; F1067-F1088 HydrophobicContact CG-CE2 4.3Å; F1067-F1088 HydrophobicContact CZ-CB 3.86Å; F1067-F1088 HydrophobicContact CZ-CD2 4.36Å; W1086-F1088 HydrophobicContact CZ3-CB 4.2Å; F1088-N1090 HydrophobicContact CE1-CB 4.25Å; F1088-I1102 HydrophobicContact CD1-CG2 4.32Å; F1088-I1102 HydrophobicContact CE1-CG2 4.21Å; F1088-L1106 HydrophobicContact CB-CD1 4.02Å; F1088-L1106 HydrophobicContact CD1-CD1 3.87Å; F1088-L1106 HydrophobicContact CG-CD1 4.2Å; F1088-F1127 WeakPolarHBondContact O-CA 3.45Å; F1088-W1128 HydrophobicContact CB-CB 4.4Å; F1088-W1128 HydrophobicContact CD1-CD2 4.37Å; F1088-W1128 AromaticContact CD1-CE3 3.74Å; F1088-W1128 HydrophobicContact CD1-CE3 3.74Å; F1088-W1128 HydrophobicContact CD1-CZ3 4.18Å; F1088-W1128 HydrophobicContact CE1-CE3 4.32Å; F1088-W1128 HydrophobicContact CE1-CZ3 4.31Å; F1088-W1128 PolarHBondContact N-O 2.97Å; F1088-W1128 PolarHBondContact O-N 3.21Å
1089E97.1Very high89.3Confident15 Ų1546.8 Ų46.87%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-111.8143.7179.3-179.3-89.6155.200112.3G1039 G1040 R1125 Y1126 F1127 W1227G1039-E1089 PolarHBondContact O-N 2.99Å; G1040-E1089 WeakPolarHBondContact CA-O 3.49Å; E1089-R1125 HydrophobicContact CG-CB 4.35Å; E1089-R1125 HydrophobicContact CG-CG 4.42Å; E1089-R1125 WeakPolarHBondContact OE1-CD 3.46Å; E1089-R1125 VanDerWaalsContact OE1-CG 3.29Å; E1089-R1125 WeakPolarHBondContact OE1-CG 3.45Å; E1089-R1125 IonicContact OE1-NE 2.64Å; E1089-R1125 PolarHBondContact OE1-NE 3.4Å; E1089-Y1126 WeakPolarHBondContact CA-O 3.23Å; E1089-F1127 HydrophobicContact CB-CD1 3.89Å; E1089-F1127 HydrophobicContact CB-CE1 3.74Å; E1089-F1127 HydrophobicContact CG-CD1 4Å; E1089-F1127 HydrophobicContact CG-CE1 3.49Å; E1089-F1127 VanDerWaalsContact CG-CE1 3.49Å; E1089-F1127 HydrophobicContact CG-CZ 3.88Å; E1089-W1227 HydrophobicContact CB-CZ2 3.78Å; E1089-W1227 VanDerWaalsContact CD-NE1 3.32Å; E1089-W1227 PolarHBondContact OE2-NE1 3.49Å
1090N95.4Very high89.7Confident0 Ų041.5 Ų41.50%021%0.209CC..EExtended strand (participates in β ladder)trans-160175.9161.7-131.3-85.3000115S1041 C1043 L1046 F1088 M1094 R1125 Y1126 W1128S1041-N1090 PolarHBondContact O-ND2 3.41Å; C1043-N1090 VanDerWaalsContact CB-OD1 3.3Å; C1043-N1090 WeakPolarHBondContact CB-OD1 3.49Å; L1046-N1090 WeakPolarHBondContact CD1-OD1 3.42Å; F1088-N1090 HydrophobicContact CE1-CB 4.25Å; N1090-M1094 HydrophobicContact CB-CE 3.65Å; N1090-R1125 WeakPolarHBondContact O-CD 3.38Å; N1090-Y1126 PolarHBondContact N-O 2.88Å; N1090-Y1126 PolarHBondContact O-N 3.31Å; N1090-W1128 HydrophobicContact CB-CZ3 4.09Å
1091V91.3Very high89.8Confident13 Ų1339.1 Ų39.18%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-69.5144.5-175.5-64.90000113.9C1043 M1094C1043-V1091 HydrophobicContact CB-CB 4.27Å; C1043-V1091 HydrophobicContact CB-CG1 3.53Å; C1043-V1091 HydrophobicContact CB-CG2 3.8Å; V1091-M1094 HydrophobicContact CG2-CB 4.43Å; V1091-M1094 WeakPolarHBondContact O-CE 3.45Å; V1091-M1094 WeakPolarHBondContact O-CG 3.11Å
1092V89.4Confident90.2Very high29 Ų2931.4 Ų31.418%0.17616%0.16CC..SBendtrans-68.2-37.8176.3177.50000112.3M1094 L1112 A1124 Y1126V1092-M1094 PolarHBondContact O-N 3.38Å; V1092-L1112 HydrophobicContact CG1-CD1 4.3Å; V1092-L1112 HydrophobicContact CG2-CD1 3.38Å; V1092-A1124 VanDerWaalsContact CG2-C 3.47Å; V1092-A1124 HydrophobicContact CG2-CB 3.89Å; V1092-Y1126 HydrophobicContact CB-CE2 4.26Å; V1092-Y1126 HydrophobicContact CG1-CE1 4.46Å; V1092-Y1126 HydrophobicContact CG1-CE2 4.18Å; V1092-Y1126 HydrophobicContact CG2-CD1 4.4Å; V1092-Y1126 HydrophobicContact CG2-CD2 4.4Å; V1092-Y1126 HydrophobicContact CG2-CE1 4.46Å; V1092-Y1126 HydrophobicContact CG2-CE2 4.47Å; V1092-Y1126 HydrophobicContact CG2-CG 4.36Å; V1092-Y1126 WeakPolarHBondContact O-CE2 3.22Å
1093F85.6Confident90.2Very high130 Ų13030.1 Ų30.157%0.5716%0.156SC*.SBendtrans-80.955179.1-61.7-74.9000111.8S1047 I1048 V1049S1047-F1093 CarbonylContact C-O 3.58Å; S1047-F1093 WeakPolarHBondContact CA-O 3.4Å; S1047-F1093 PolarHBondContact OG-O 3.39Å; I1048-F1093 PolarHBondContact N-O 2.97Å; V1049-F1093 HydrophobicContact CG1-CB 4.33Å
1094M86.3Confident89.9Confident8 Ų835.9 Ų35.94%0.03918%0.175CC..BIsolated β-bridgetrans-104.8162.4167.762.516659.200110.7L1046 I1048 N1090 V1091 V1092 K1099 I1102 Y1126 W1128L1046-M1094 HydrophobicContact CB-CB 4.43Å; L1046-M1094 HydrophobicContact CD1-CE 4.43Å; L1046-M1094 VanDerWaalsContact O-CA 3.31Å; L1046-M1094 WeakPolarHBondContact O-CA 3.28Å; L1046-M1094 WeakPolarHBondContact O-CB 3.44Å; I1048-M1094 WeakPolarHBondContact CD1-O 3.46Å; N1090-M1094 HydrophobicContact CB-CE 3.65Å; V1091-M1094 HydrophobicContact CG2-CB 4.43Å; V1091-M1094 WeakPolarHBondContact O-CE 3.45Å; V1091-M1094 WeakPolarHBondContact O-CG 3.11Å; V1092-M1094 PolarHBondContact O-N 3.38Å; M1094-K1099 HydrophobicContact CG-CB 4.16Å; M1094-K1099 VanDerWaalsContact SD-CA 3.55Å; M1094-K1099 HydrophobicContact SD-CB 3.61Å; M1094-K1099 HydrophobicContact SD-CG 4.12Å; M1094-I1102 HydrophobicContact CE-CD1 3.86Å; M1094-I1102 HydrophobicContact SD-CD1 4.06Å; M1094-Y1126 HydrophobicContact CG-CD2 4.48Å; M1094-Y1126 HydrophobicContact CG-CE2 4.32Å; M1094-Y1126 HydrophobicContact SD-CD2 4.45Å; M1094-W1128 HydrophobicContact CE-CH2 3.91Å; M1094-W1128 HydrophobicContact SD-CH2 4.15Å
1095N81.4Confident89.7Confident68 Ų6838.9 Ų38.936%0.36419%0.188SC..  trans-59.7137.7174.1-178.34.4000110.9H1097 D1098 K1099N1095-H1097 PolarHBondContact O-N 2.91Å; N1095-H1097 PolarHBondContact OD1-N 3.26Å; N1095-D1098 HydrophobicContact CB-CB 4.17Å; N1095-D1098 VanDerWaalsContact CB-OD2 3.28Å; N1095-D1098 WeakPolarHBondContact CB-OD2 3.45Å; N1095-D1098 PolarHBondContact O-N 3.39Å; N1095-D1098 VanDerWaalsContact O-N 3.14Å; N1095-K1099 PolarHBondContact O-N 3.31Å
1096T83.8Confident89.5Confident104 Ų10438.8 Ų38.864%0.63819%0.188SC*.Hα-helixtrans-56.2-35.8175.7-50.70000112K1099 V1100T1096-K1099 PolarHBondContact O-N 2.87Å; T1096-V1100 WeakPolarHBondContact O-CB 3.46Å; T1096-V1100 VanDerWaalsContact O-CG2 3.3Å; T1096-V1100 WeakPolarHBondContact O-CG2 3.46Å; T1096-V1100 PolarHBondContact O-N 2.9Å
1097H80.6Confident89.1Confident103 Ų10342.1 Ų42.148%0.47720%0.204SC..Hα-helixtrans-65.5-47.7176-175.384.9000112N1095 K1099 V1100 N1101N1095-H1097 PolarHBondContact O-N 2.91Å; N1095-H1097 PolarHBondContact OD1-N 3.26Å; H1097-K1099 VanDerWaalsContact C-N 3.33Å; H1097-K1099 PolarHBondContact O-N 2.86Å; H1097-V1100 PolarHBondContact O-N 2.92Å; H1097-N1101 PolarHBondContact CD2-ND2 3.04Å; H1097-N1101 PolarHBondContact NE2-ND2 2.97Å; H1097-N1101 VanDerWaalsContact O-CG 3.32Å; H1097-N1101 PolarHBondContact O-N 2.85Å; H1097-N1101 PolarHBondContact O-ND2 2.73Å
1098D84.7Confident88.4Confident9 Ų942.5 Ų42.55%0.04821%0.206CC..Hα-helixtrans-61.7-41.9176.8-63.6-36.6000110.8L1056 N1095 N1101 I1102L1056-D1098 HydrophobicContact CB-CB 4.15Å; L1056-D1098 VanDerWaalsContact CB-OD1 3.23Å; L1056-D1098 WeakPolarHBondContact CB-OD1 3.36Å; L1056-D1098 PolarHBondContact N-OD1 2.97Å; N1095-D1098 HydrophobicContact CB-CB 4.17Å; N1095-D1098 VanDerWaalsContact CB-OD2 3.28Å; N1095-D1098 WeakPolarHBondContact CB-OD2 3.45Å; N1095-D1098 PolarHBondContact O-N 3.39Å; N1095-D1098 VanDerWaalsContact O-N 3.14Å; D1098-N1101 PolarHBondContact O-N 2.94Å; D1098-I1102 VanDerWaalsContact O-CG1 3.31Å; D1098-I1102 WeakPolarHBondContact O-CG1 2.89Å; D1098-I1102 PolarHBondContact O-N 2.85Å
1099K88.8Confident87.8Confident53 Ų5344.9 Ų44.923%0.2322%0.219CC..Hα-helixtrans-57-51.1173.7-172.7-170176.5-177.70112M1094 N1095 T1096 H1097 N1101 I1102 C1103 Y1126 W1128M1094-K1099 HydrophobicContact CG-CB 4.16Å; M1094-K1099 VanDerWaalsContact SD-CA 3.55Å; M1094-K1099 HydrophobicContact SD-CB 3.61Å; M1094-K1099 HydrophobicContact SD-CG 4.12Å; N1095-K1099 PolarHBondContact O-N 3.31Å; T1096-K1099 PolarHBondContact O-N 2.87Å; H1097-K1099 VanDerWaalsContact C-N 3.33Å; H1097-K1099 PolarHBondContact O-N 2.86Å; K1099-N1101 VanDerWaalsContact C-N 3.3Å; K1099-N1101 PolarHBondContact O-N 2.83Å; K1099-I1102 PolarHBondContact O-N 3.01Å; K1099-C1103 PolarHBondContact O-N 2.98Å; K1099-C1103 PolarHBondContact O-SG 3.18Å; K1099-Y1126 HydrophobicContact CD-CD2 4.49Å; K1099-Y1126 HydrophobicContact CD-CE2 3.74Å; K1099-Y1126 VanDerWaalsContact CE-CZ 3.44Å; K1099-Y1126 HydrophobicContact CG-CE2 4.25Å; K1099-Y1126 VanDerWaalsContact NZ-CZ 3.27Å; K1099-Y1126 PolarHBondContact NZ-OH 3.33Å; K1099-W1128 HydrophobicContact CG-CZ2 4.21Å
1100V85Confident87.5Confident50 Ų5045.2 Ų45.230%0.30322%0.222SC..Hα-helixtrans-63.8-37-179.1166.90000111.2T1096 H1097 C1103 R1104T1096-V1100 WeakPolarHBondContact O-CB 3.46Å; T1096-V1100 VanDerWaalsContact O-CG2 3.3Å; T1096-V1100 WeakPolarHBondContact O-CG2 3.46Å; T1096-V1100 PolarHBondContact O-N 2.9Å; H1097-V1100 PolarHBondContact O-N 2.92Å; V1100-C1103 WeakPolarHBondContact O-CB 3.28Å; V1100-C1103 PolarHBondContact O-N 3.33Å; V1100-R1104 VanDerWaalsContact O-CG 3.3Å; V1100-R1104 WeakPolarHBondContact O-CG 3.46Å; V1100-R1104 PolarHBondContact O-N 3.41Å
1101N87.2Confident87.3Confident9 Ų946.4 Ų46.45%0.04823%0.229CC..Hα-helixtrans-68.3-42.3175-67.4-19000111.8L1056 Y1057 H1097 D1098 K1099 C1103 R1104 F1105L1056-N1101 HydrophobicContact CD2-CB 3.75Å; Y1057-N1101 PolarHBondContact OH-ND2 3.46Å; H1097-N1101 PolarHBondContact CD2-ND2 3.04Å; H1097-N1101 PolarHBondContact NE2-ND2 2.97Å; H1097-N1101 VanDerWaalsContact O-CG 3.32Å; H1097-N1101 PolarHBondContact O-N 2.85Å; H1097-N1101 PolarHBondContact O-ND2 2.73Å; D1098-N1101 PolarHBondContact O-N 2.94Å; K1099-N1101 VanDerWaalsContact C-N 3.3Å; K1099-N1101 PolarHBondContact O-N 2.83Å; N1101-C1103 VanDerWaalsContact C-N 3.31Å; N1101-C1103 PolarHBondContact O-N 3.28Å; N1101-R1104 WeakPolarHBondContact O-CB 3.35Å; N1101-R1104 PolarHBondContact O-N 3.14Å; N1101-R1104 VanDerWaalsContact O-N 3.13Å; N1101-R1104 PolarHBondContact OD1-NH1 3.22Å; N1101-F1105 VanDerWaalsContact O-CD2 3.27Å; N1101-F1105 WeakPolarHBondContact O-CD2 3.41Å; N1101-F1105 PolarHBondContact O-N 2.85Å
1102I90.5Very high87.4Confident0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-58.4-43.5172.1-66.9165.7000110.4L1056 F1064 F1088 M1094 D1098 K1099 R1104 F1105 L1106 W1128L1056-I1102 HydrophobicContact CD1-CD1 4.04Å; L1056-I1102 HydrophobicContact CD1-CG1 3.92Å; L1056-I1102 HydrophobicContact CD2-CG1 4.07Å; F1064-I1102 HydrophobicContact CD1-CG1 4.25Å; F1064-I1102 HydrophobicContact CD2-CG1 4.24Å; F1064-I1102 HydrophobicContact CD2-CG2 4.39Å; F1064-I1102 HydrophobicContact CE1-CG1 4.14Å; F1064-I1102 HydrophobicContact CE2-CB 4.36Å; F1064-I1102 HydrophobicContact CE2-CG1 4.15Å; F1064-I1102 HydrophobicContact CE2-CG2 3.76Å; F1064-I1102 HydrophobicContact CG-CG1 4.29Å; F1064-I1102 HydrophobicContact CZ-CB 4.22Å; F1064-I1102 HydrophobicContact CZ-CG1 4.09Å; F1064-I1102 HydrophobicContact CZ-CG2 4.01Å; F1088-I1102 HydrophobicContact CD1-CG2 4.32Å; F1088-I1102 HydrophobicContact CE1-CG2 4.21Å; M1094-I1102 HydrophobicContact CE-CD1 3.86Å; M1094-I1102 HydrophobicContact SD-CD1 4.06Å; D1098-I1102 VanDerWaalsContact O-CG1 3.31Å; D1098-I1102 WeakPolarHBondContact O-CG1 2.89Å; D1098-I1102 PolarHBondContact O-N 2.85Å; K1099-I1102 PolarHBondContact O-N 3.01Å; I1102-R1104 VanDerWaalsContact C-N 3.34Å; I1102-R1104 PolarHBondContact O-N 3.44Å; I1102-F1105 PolarHBondContact O-N 3.1Å; I1102-L1106 HydrophobicContact CG2-CD1 3.72Å; I1102-L1106 HydrophobicContact CG2-CG 4.29Å; I1102-L1106 VanDerWaalsContact O-CB 3.32Å; I1102-L1106 WeakPolarHBondContact O-CB 3.39Å; I1102-L1106 WeakPolarHBondContact O-CG 3.24Å; I1102-L1106 PolarHBondContact O-N 2.86Å; I1102-W1128 HydrophobicContact CB-CZ2 3.97Å; I1102-W1128 HydrophobicContact CD1-CH2 4.44Å; I1102-W1128 HydrophobicContact CG2-CD2 3.84Å; I1102-W1128 HydrophobicContact CG2-CE3 4.27Å; I1102-W1128 HydrophobicContact CG2-CG 4.41Å; I1102-W1128 HydrophobicContact CG2-CH2 3.96Å; I1102-W1128 HydrophobicContact CG2-CZ2 3.48Å; I1102-W1128 VanDerWaalsContact CG2-CZ2 3.48Å; I1102-W1128 HydrophobicContact CG2-CZ3 4.32Å
1103C89.6Confident87.5Confident4 Ų449.8 Ų49.83%0.02725%0.246CC..Hα-helixtrans-59.3-41.5174.1-61.10000113.1K1099 V1100 N1101 E1107 C1108 P1110K1099-C1103 PolarHBondContact O-N 2.98Å; K1099-C1103 PolarHBondContact O-SG 3.18Å; V1100-C1103 WeakPolarHBondContact O-CB 3.28Å; V1100-C1103 PolarHBondContact O-N 3.33Å; N1101-C1103 VanDerWaalsContact C-N 3.31Å; N1101-C1103 PolarHBondContact O-N 3.28Å; C1103-E1107 PolarHBondContact O-N 2.92Å; C1103-C1108 VanDerWaalsContact CA-O 3.23Å; C1103-C1108 WeakPolarHBondContact CA-O 3.3Å; C1103-C1108 WeakPolarHBondContact CB-O 3.5Å; C1103-C1108 PolarHBondContact O-N 2.58Å; C1103-C1108 VanDerWaalsContact O-N 3.15Å; C1103-P1110 WeakPolarHBondContact SG-CD 3.28Å
1104R87.1Confident87.8Confident145 Ų14545.3 Ų45.355%0.54723%0.228SC..Hα-helixtrans-65.7-47178.7-74.2163.4169.1169.7-9112V1100 N1101 I1102 E1107V1100-R1104 VanDerWaalsContact O-CG 3.3Å; V1100-R1104 WeakPolarHBondContact O-CG 3.46Å; V1100-R1104 PolarHBondContact O-N 3.41Å; N1101-R1104 WeakPolarHBondContact O-CB 3.35Å; N1101-R1104 PolarHBondContact O-N 3.14Å; N1101-R1104 VanDerWaalsContact O-N 3.13Å; N1101-R1104 PolarHBondContact OD1-NH1 3.22Å; I1102-R1104 VanDerWaalsContact C-N 3.34Å; I1102-R1104 PolarHBondContact O-N 3.44Å; R1104-E1107 PolarHBondContact O-N 2.82Å
1105F91.1Very high88.1Confident66 Ų6645 Ų4529%0.28923%0.226SC..Hα-helixtrans-68.1-36.4178-82.3-74.3000112.4F1064 F1065 Y1068 N1101 I1102 E1107F1064-F1105 HydrophobicContact CE1-CB 3.76Å; F1064-F1105 HydrophobicContact CE1-CD2 4.03Å; F1064-F1105 HydrophobicContact CE1-CG 4.04Å; F1064-F1105 HydrophobicContact CZ-CB 3.65Å; F1064-F1105 HydrophobicContact CZ-CG 4.43Å; F1065-F1105 AromaticContact CE1-CD2 3.9Å; F1065-F1105 HydrophobicContact CE1-CD2 3.9Å; F1065-F1105 HydrophobicContact CE1-CE1 4.24Å; F1065-F1105 AromaticContact CE1-CE2 3.62Å; F1065-F1105 HydrophobicContact CE1-CE2 3.62Å; F1065-F1105 HydrophobicContact CE1-CG 4.36Å; F1065-F1105 AromaticContact CE1-CZ 3.8Å; F1065-F1105 HydrophobicContact CE1-CZ 3.8Å; F1065-F1105 HydrophobicContact CZ-CE2 4.28Å; Y1068-F1105 HydrophobicContact CD1-CD1 4.28Å; Y1068-F1105 HydrophobicContact CD2-CB 4.06Å; Y1068-F1105 HydrophobicContact CD2-CD1 4.32Å; Y1068-F1105 WeakPolarHBondContact CD2-O 3.3Å; Y1068-F1105 HydrophobicContact CE1-CD1 4.03Å; Y1068-F1105 HydrophobicContact CE1-CE1 4.48Å; Y1068-F1105 HydrophobicContact CE2-CB 4.22Å; Y1068-F1105 HydrophobicContact CE2-CD1 4.06Å; Y1068-F1105 WeakPolarHBondContact CE2-O 3.47Å; Y1068-F1105 HydrophobicContact CG-CD1 4.43Å; Y1068-F1105 AromaticContact CZ-CD1 3.92Å; N1101-F1105 VanDerWaalsContact O-CD2 3.27Å; N1101-F1105 WeakPolarHBondContact O-CD2 3.41Å; N1101-F1105 PolarHBondContact O-N 2.85Å; I1102-F1105 PolarHBondContact O-N 3.1Å; F1105-E1107 VanDerWaalsContact C-N 3.3Å
1106L91.5Very high88.7Confident1 Ų143.1 Ų43.11%0.00522%0.218CC..THydrogen-bonded Turntrans-871.9177.8-65.2-177.4000113.9F1064 F1067 L1071 W1086 F1088 I1102 C1108 W1128F1064-L1106 HydrophobicContact CE2-CD1 3.93Å; F1064-L1106 HydrophobicContact CE2-CD2 4.02Å; F1064-L1106 HydrophobicContact CE2-CG 3.84Å; F1064-L1106 HydrophobicContact CZ-CD1 4.48Å; F1064-L1106 HydrophobicContact CZ-CD2 4.26Å; F1064-L1106 HydrophobicContact CZ-CG 3.96Å; F1067-L1106 HydrophobicContact CD1-CD2 4.4Å; F1067-L1106 HydrophobicContact CE1-CD2 4.28Å; L1071-L1106 HydrophobicContact CD2-CD2 3.87Å; W1086-L1106 HydrophobicContact CH2-CB 3.86Å; W1086-L1106 HydrophobicContact CH2-CD1 4.12Å; W1086-L1106 HydrophobicContact CH2-CD2 4.11Å; W1086-L1106 HydrophobicContact CH2-CG 4.26Å; W1086-L1106 HydrophobicContact CZ3-CB 4.48Å; W1086-L1106 HydrophobicContact CZ3-CD1 3.94Å; W1086-L1106 HydrophobicContact CZ3-CD2 4.04Å; W1086-L1106 HydrophobicContact CZ3-CG 4.39Å; F1088-L1106 HydrophobicContact CB-CD1 4.02Å; F1088-L1106 HydrophobicContact CD1-CD1 3.87Å; F1088-L1106 HydrophobicContact CG-CD1 4.2Å; I1102-L1106 HydrophobicContact CG2-CD1 3.72Å; I1102-L1106 HydrophobicContact CG2-CG 4.29Å; I1102-L1106 VanDerWaalsContact O-CB 3.32Å; I1102-L1106 WeakPolarHBondContact O-CB 3.39Å; I1102-L1106 WeakPolarHBondContact O-CG 3.24Å; I1102-L1106 PolarHBondContact O-N 2.86Å; L1106-C1108 PolarHBondContact O-N 2.89Å; L1106-W1128 HydrophobicContact CD1-CB 3.46Å; L1106-W1128 VanDerWaalsContact CD1-CB 3.46Å; L1106-W1128 HydrophobicContact CD1-CD2 4.15Å; L1106-W1128 HydrophobicContact CD1-CG 3.57Å
1107E87.9Confident89Confident78 Ų7843.9 Ų43.936%0.36421%0.212SC..THydrogen-bonded Turntrans55.222.9178.1-59.8155.115200113.1F950 K1075 C1103 R1104 F1105F950-E1107 WeakPolarHBondContact CB-O 3.07Å; K1075-E1107 IonicContact NZ-OE1 3.78Å; K1075-E1107 IonicContact NZ-OE2 3.61Å; K1075-E1107 PolarHBondContact NZ-OE2 3.31Å; C1103-E1107 PolarHBondContact O-N 2.92Å; R1104-E1107 PolarHBondContact O-N 2.82Å; F1105-E1107 VanDerWaalsContact C-N 3.3Å
1108C83.6Confident89.5Confident8 Ų839.2 Ų39.25%0.05419%0.19CC..SBendtrans-154.6162.4-175.586.80000113.6H953 C1103 L1106H953-C1108 WeakPolarHBondContact NE2-CB 3.36Å; C1103-C1108 VanDerWaalsContact CA-O 3.23Å; C1103-C1108 WeakPolarHBondContact CA-O 3.3Å; C1103-C1108 WeakPolarHBondContact CB-O 3.5Å; C1103-C1108 PolarHBondContact O-N 2.58Å; C1103-C1108 VanDerWaalsContact O-N 3.15Å; L1106-C1108 PolarHBondContact O-N 2.89Å
1109N85.8Confident89.9Confident49 Ų4939 Ų3926%0.26219%0.19SC..PPolyproline II helixtrans-93.6147.7174.6-79.4-66.5000111.9S946S946-N1109 PolarHBondContact OG-ND2 3.39Å
1110P91.5Very high90.2Very high22 Ų2236.6 Ų36.614%0.14318%0.179CC..PPolyproline II helixtrans-79.6142.417928.3-30.9000112.6C1103 Y1126 F1127 W1128C1103-P1110 WeakPolarHBondContact SG-CD 3.28Å; P1110-Y1126 HydrophobicContact CB-CD1 3.86Å; P1110-Y1126 HydrophobicContact CB-CG 4.01Å; P1110-Y1126 HydrophobicContact CG-CD1 3.85Å; P1110-Y1126 HydrophobicContact CG-CE1 4.33Å; P1110-Y1126 HydrophobicContact CG-CG 4.11Å; P1110-F1127 CarbonylContact C-O 3.58Å; P1110-F1127 WeakPolarHBondContact CA-O 3.38Å; P1110-W1128 HydrophobicContact CB-CD2 3.69Å; P1110-W1128 HydrophobicContact CB-CE3 4.14Å; P1110-W1128 HydrophobicContact CB-CG 4.1Å; P1110-W1128 HydrophobicContact CB-CH2 4.32Å; P1110-W1128 HydrophobicContact CB-CZ2 3.89Å; P1110-W1128 HydrophobicContact CB-CZ3 4.43Å; P1110-W1128 HydrophobicContact CG-CD2 4.39Å; P1110-W1128 HydrophobicContact CG-CH2 4.48Å; P1110-W1128 HydrophobicContact CG-CZ2 3.78Å
1111V90.7Very high90.6Very high25 Ų2534.4 Ų34.415%0.15217%0.167CC..EExtended strand (participates in β ladder)trans-78.5135.2161.3-174.80000109.3V1113 Y1126 F1127 M1134V1111-V1113 HydrophobicContact CG1-CG2 3.82Å; V1111-Y1126 WeakPolarHBondContact O-CA 3.35Å; V1111-F1127 PolarHBondContact N-O 3.26Å; V1111-F1127 PolarHBondContact O-N 3.44Å; V1111-M1134 HydrophobicContact CG2-CB 3.95Å; V1111-M1134 HydrophobicContact CG2-CE 4.47Å
1112L92.6Very high90.8Very high107 Ų10737.8 Ų37.856%0.5618%0.182SC*.EExtended strand (participates in β ladder)trans-92117.3171.9173.561.6000109.9V1092 A1124 R1125 Y1126V1092-L1112 HydrophobicContact CG1-CD1 4.3Å; V1092-L1112 HydrophobicContact CG2-CD1 3.38Å; L1112-A1124 HydrophobicContact CD1-CB 4.33Å; L1112-R1125 WeakPolarHBondContact CA-O 3.47Å; L1112-Y1126 HydrophobicContact CB-CD1 4.43Å; L1112-Y1126 HydrophobicContact CB-CE1 4.41Å; L1112-Y1126 HydrophobicContact CD1-CD1 4.39Å; L1112-Y1126 HydrophobicContact CD1-CE1 4.31Å
1113V92.1Very high90.9Very high7 Ų738.5 Ų38.54%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-126.8132.5177.4-165.50000109.6V1111 A1124 R1125 F1127 I1138 V1231V1111-V1113 HydrophobicContact CG1-CG2 3.82Å; V1113-A1124 CarbonylContact O-C 3.6Å; V1113-A1124 WeakPolarHBondContact O-CA 3.33Å; V1113-R1125 PolarHBondContact N-O 2.97Å; V1113-R1125 PolarHBondContact O-N 3.49Å; V1113-F1127 HydrophobicContact CB-CD2 4.02Å; V1113-F1127 HydrophobicContact CB-CE2 3.92Å; V1113-F1127 HydrophobicContact CG2-CD2 3.84Å; V1113-F1127 HydrophobicContact CG2-CE2 4.22Å; V1113-I1138 HydrophobicContact CG1-CB 4.27Å; V1113-I1138 HydrophobicContact CG1-CD1 3.84Å; V1113-I1138 HydrophobicContact CG1-CG2 3.8Å; V1113-V1231 HydrophobicContact CB-CG1 4.34Å; V1113-V1231 HydrophobicContact CG1-CG1 3.9Å
1114D92.4Very high91.1Very high36 Ų3639.5 Ų39.519%0.19319%0.193CC..  trans-118.6124.8175.5-171.2-12.3000110.2V1116 K1117 H1122 R1123 A1124D1114-V1116 HydrophobicContact CB-CG1 4.2Å; D1114-V1116 PolarHBondContact O-N 3.23Å; D1114-V1116 VanDerWaalsContact O-N 3.14Å; D1114-V1116 PolarHBondContact OD1-N 3.39Å; D1114-K1117 PolarHBondContact O-N 2.93Å; D1114-H1122 IonicContact OD2-ND1 2.71Å; D1114-R1123 PolarHBondContact OD1-N 3Å; D1114-A1124 HydrophobicContact CB-CB 3.98Å; D1114-A1124 PolarHBondContact OD1-N 3.26Å
1115A93.3Very high91.5Very high1 Ų133.9 Ų33.91%0.00817%0.172CC..G310 helixtrans-59.4-18.9177.800000113.6K1117 V1118 S1119 A1121 R1123 V1231A1115-K1117 PolarHBondContact O-N 3.33Å; A1115-V1118 CarbonylContact O-C 3.52Å; A1115-V1118 WeakPolarHBondContact O-CG2 3.49Å; A1115-V1118 PolarHBondContact O-N 2.66Å; A1115-S1119 PolarHBondContact O-N 2.86Å; A1115-S1119 PolarHBondContact O-OG 2.88Å; A1115-A1121 CarbonylContact C-O 3.15Å; A1115-R1123 HydrophobicContact CB-CB 3.8Å; A1115-V1231 HydrophobicContact CB-CG2 3.78Å
1116V92.8Very high91.7Very high29 Ų2932.2 Ų32.218%0.17616%0.164CC..G310 helixtrans-56.8-20179.776.60000114D1114 S1119 A1121 K1162D1114-V1116 HydrophobicContact CB-CG1 4.2Å; D1114-V1116 PolarHBondContact O-N 3.23Å; D1114-V1116 VanDerWaalsContact O-N 3.14Å; D1114-V1116 PolarHBondContact OD1-N 3.39Å; V1116-S1119 CarbonylContact C-O 3.43Å; V1116-A1121 WeakPolarHBondContact CA-O 3.34Å; V1116-A1121 PolarHBondContact N-O 3.27Å; V1116-A1121 VanDerWaalsContact N-O 3.16Å; V1116-K1162 HydrophobicContact CG2-CD 3.81Å; V1116-K1162 HydrophobicContact CG2-CG 4.05Å; V1116-K1162 PolarHBondContact O-NZ 2.99Å
1117K90.1Very high91.9Very high120 Ų12032.3 Ų32.352%0.52217%0.165SC..G310 helixtrans-77.8-15.9174.5-66.8-178.3172-1730114.5D1114 A1115 I1138D1114-K1117 PolarHBondContact O-N 2.93Å; A1115-K1117 PolarHBondContact O-N 3.33Å; K1117-I1138 HydrophobicContact CB-CG2 4.1Å; K1117-I1138 HydrophobicContact CD-CG2 3.6Å; K1117-I1138 WeakPolarHBondContact CD-O 3.4Å; K1117-I1138 HydrophobicContact CG-CG2 4.46Å
1118V91.2Very high92.2Very high4 Ų428.6 Ų28.62%0.02415%0.147CC..THydrogen-bonded Turntrans-136.93.3-174.2-63.70000113.5A1115 I1138 D1144 P1230 V1231A1115-V1118 CarbonylContact O-C 3.52Å; A1115-V1118 WeakPolarHBondContact O-CG2 3.49Å; A1115-V1118 PolarHBondContact O-N 2.66Å; V1118-I1138 HydrophobicContact CG1-CD1 3.8Å; V1118-I1138 HydrophobicContact CG1-CG1 3.61Å; V1118-I1138 HydrophobicContact CG2-CD1 3.91Å; V1118-D1144 WeakPolarHBondContact O-CB 3.44Å; V1118-P1230 HydrophobicContact CB-CB 4.04Å; V1118-P1230 HydrophobicContact CB-CG 4.21Å; V1118-P1230 HydrophobicContact CG2-CB 3.91Å; V1118-P1230 HydrophobicContact CG2-CG 3.79Å; V1118-V1231 HydrophobicContact CG2-CG2 3.96Å
1119S93.9Very high92.7Very high6 Ų628.3 Ų28.34%0.04215%0.146CC..SBendtrans-153.3170.5179.191.40000109.9A1115 V1116 A1121 K1145 K1162 I1201A1115-S1119 PolarHBondContact O-N 2.86Å; A1115-S1119 PolarHBondContact O-OG 2.88Å; V1116-S1119 CarbonylContact C-O 3.43Å; S1119-A1121 PolarHBondContact O-N 3.28Å; S1119-A1121 PolarHBondContact OG-N 3.28Å; S1119-A1121 PolarHBondContact OG-O 3.1Å; S1119-K1145 CarbonylContact C-O 3.42Å; S1119-K1145 WeakPolarHBondContact CA-O 3.46Å; S1119-K1162 PolarHBondContact O-NZ 3.48Å; S1119-I1201 WeakPolarHBondContact CB-O 3.24Å
1120P94.6Very high93Very high1 Ų127.2 Ų27.21%0.00614%0.14CC..SBendtrans-85.813179.539.2-35.5000112.2K1145 L1148 K1162 V1163 I1201P1120-K1145 VanDerWaalsContact CD-O 3.23Å; P1120-K1145 WeakPolarHBondContact CD-O 3.4Å; P1120-L1148 HydrophobicContact CB-CB 4.36Å; P1120-L1148 HydrophobicContact CG-CD1 4.47Å; P1120-K1162 HydrophobicContact CB-CD 4.45Å; P1120-K1162 CarbonylContact O-C 3.46Å; P1120-K1162 WeakPolarHBondContact O-CA 3.47Å; P1120-V1163 PolarHBondContact O-N 3.06Å; P1120-I1201 HydrophobicContact CG-CB 4.19Å; P1120-I1201 HydrophobicContact CG-CG1 3.73Å; P1120-I1201 HydrophobicContact CG-CG2 4Å
1121A93.2Very high93Very high5 Ų526.3 Ų26.34%0.04113%0.134CC..BIsolated β-bridgetrans-125.1135.9-175.800000113A1115 V1116 S1119 R1123 V1163 I1166 I1201A1115-A1121 CarbonylContact C-O 3.15Å; V1116-A1121 WeakPolarHBondContact CA-O 3.34Å; V1116-A1121 PolarHBondContact N-O 3.27Å; V1116-A1121 VanDerWaalsContact N-O 3.16Å; S1119-A1121 PolarHBondContact O-N 3.28Å; S1119-A1121 PolarHBondContact OG-N 3.28Å; S1119-A1121 PolarHBondContact OG-O 3.1Å; A1121-R1123 PolarHBondContact O-N 3.43Å; A1121-V1163 WeakPolarHBondContact CA-O 3.48Å; A1121-V1163 HydrophobicContact CB-CG2 3.67Å; A1121-I1166 HydrophobicContact CB-CD1 4.29Å; A1121-I1201 HydrophobicContact CB-CG2 3.63Å
1122H92.3Very high92.9Very high79 Ų7925.8 Ų25.837%0.36613%0.131SC..  trans-65.1121.4165.6-72.7-81000110.3D1114 V1163 T1165D1114-H1122 IonicContact OD2-ND1 2.71Å; H1122-V1163 PolarHBondContact CD2-O 2.82Å; H1122-V1163 PolarHBondContact N-O 3.01Å; H1122-T1165 WeakPolarHBondContact O-CA 3.35Å; H1122-T1165 PolarHBondContact O-OG1 2.85Å
1123R92.3Very high92.5Very high16 Ų1620.8 Ų20.86%0.0611%0.105CC..  trans-149.954.7174.9-159.9176.8-176.373.9-0.4110.7D1114 A1115 A1121 R1125 I1166 F1202 G1224 K1225 A1226D1114-R1123 PolarHBondContact OD1-N 3Å; A1115-R1123 HydrophobicContact CB-CB 3.8Å; A1121-R1123 PolarHBondContact O-N 3.43Å; R1123-R1125 VanDerWaalsContact CZ-NH2 3.32Å; R1123-R1125 PolarHBondContact O-N 3.11Å; R1123-I1166 PolarHBondContact NH1-O 2.99Å; R1123-F1202 VanDerWaalsContact CZ-CE1 3.41Å; R1123-G1224 PolarHBondContact NH2-O 3.11Å; R1123-K1225 PolarHBondContact NH2-O 3.25Å; R1123-A1226 VanDerWaalsContact CZ-O 3.3Å; R1123-A1226 PolarHBondContact NE-O 3.27Å; R1123-A1226 PolarHBondContact NH2-O 3.45Å
1124A93.2Very high92.3Very high24 Ų2420.6 Ų20.620%0.19810%0.103CC..  trans-54.2130.8171.700000111.6V1092 L1112 V1113 D1114V1092-A1124 VanDerWaalsContact CG2-C 3.47Å; V1092-A1124 HydrophobicContact CG2-CB 3.89Å; L1112-A1124 HydrophobicContact CD1-CB 4.33Å; V1113-A1124 CarbonylContact O-C 3.6Å; V1113-A1124 WeakPolarHBondContact O-CA 3.33Å; D1114-A1124 HydrophobicContact CB-CB 3.98Å; D1114-A1124 PolarHBondContact OD1-N 3.26Å
1125R94.7Very high91.8Very high27 Ų2722.1 Ų22.110%0.10212%0.117CC..EExtended strand (participates in β ladder)trans-142153.5179.4-70-54.2-168.2-89.5-0.7112.3E1089 N1090 L1112 V1113 R1123 F1127E1089-R1125 HydrophobicContact CG-CB 4.35Å; E1089-R1125 HydrophobicContact CG-CG 4.42Å; E1089-R1125 WeakPolarHBondContact OE1-CD 3.46Å; E1089-R1125 VanDerWaalsContact OE1-CG 3.29Å; E1089-R1125 WeakPolarHBondContact OE1-CG 3.45Å; E1089-R1125 IonicContact OE1-NE 2.64Å; E1089-R1125 PolarHBondContact OE1-NE 3.4Å; N1090-R1125 WeakPolarHBondContact O-CD 3.38Å; L1112-R1125 WeakPolarHBondContact CA-O 3.47Å; V1113-R1125 PolarHBondContact N-O 2.97Å; V1113-R1125 PolarHBondContact O-N 3.49Å; R1123-R1125 VanDerWaalsContact CZ-NH2 3.32Å; R1123-R1125 PolarHBondContact O-N 3.11Å; R1125-F1127 HydrophobicContact CB-CD2 4.23Å; R1125-F1127 HydrophobicContact CB-CE2 3.57Å; R1125-F1127 HydrophobicContact CB-CZ 3.98Å
1126Y96.1Very high91.5Very high31 Ų3122.6 Ų22.612%0.12212%0.119CC..EExtended strand (participates in β ladder)trans-95.2134.1168-72.6-47000109.7E1089 N1090 V1092 M1094 K1099 P1110 V1111 L1112 W1128E1089-Y1126 WeakPolarHBondContact CA-O 3.23Å; N1090-Y1126 PolarHBondContact N-O 2.88Å; N1090-Y1126 PolarHBondContact O-N 3.31Å; V1092-Y1126 HydrophobicContact CB-CE2 4.26Å; V1092-Y1126 HydrophobicContact CG1-CE1 4.46Å; V1092-Y1126 HydrophobicContact CG1-CE2 4.18Å; V1092-Y1126 HydrophobicContact CG2-CD1 4.4Å; V1092-Y1126 HydrophobicContact CG2-CD2 4.4Å; V1092-Y1126 HydrophobicContact CG2-CE1 4.46Å; V1092-Y1126 HydrophobicContact CG2-CE2 4.47Å; V1092-Y1126 HydrophobicContact CG2-CG 4.36Å; V1092-Y1126 WeakPolarHBondContact O-CE2 3.22Å; M1094-Y1126 HydrophobicContact CG-CD2 4.48Å; M1094-Y1126 HydrophobicContact CG-CE2 4.32Å; M1094-Y1126 HydrophobicContact SD-CD2 4.45Å; K1099-Y1126 HydrophobicContact CD-CD2 4.49Å; K1099-Y1126 HydrophobicContact CD-CE2 3.74Å; K1099-Y1126 VanDerWaalsContact CE-CZ 3.44Å; K1099-Y1126 HydrophobicContact CG-CE2 4.25Å; K1099-Y1126 VanDerWaalsContact NZ-CZ 3.27Å; K1099-Y1126 PolarHBondContact NZ-OH 3.33Å; P1110-Y1126 HydrophobicContact CB-CD1 3.86Å; P1110-Y1126 HydrophobicContact CB-CG 4.01Å; P1110-Y1126 HydrophobicContact CG-CD1 3.85Å; P1110-Y1126 HydrophobicContact CG-CE1 4.33Å; P1110-Y1126 HydrophobicContact CG-CG 4.11Å; V1111-Y1126 WeakPolarHBondContact O-CA 3.35Å; L1112-Y1126 HydrophobicContact CB-CD1 4.43Å; L1112-Y1126 HydrophobicContact CB-CE1 4.41Å; L1112-Y1126 HydrophobicContact CD1-CD1 4.39Å; L1112-Y1126 HydrophobicContact CD1-CE1 4.31Å; Y1126-W1128 VanDerWaalsContact CB-CZ3 3.4Å; Y1126-W1128 HydrophobicContact CD2-CH2 4.05Å; Y1126-W1128 HydrophobicContact CG-CH2 4.12Å; Y1126-W1128 HydrophobicContact CG-CZ3 4.43Å
1127F96.1Very high91.1Very high4 Ų424.3 Ų24.32%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-125117.2175.8-66.9-86.5000110L1087 F1088 E1089 P1110 V1111 V1113 R1125 M1134 V1231 I1232 L1235L1087-F1127 HydrophobicContact CD1-CB 4.15Å; L1087-F1127 HydrophobicContact CD1-CD1 4.1Å; L1087-F1127 HydrophobicContact CD2-CD1 4.28Å; L1087-F1127 HydrophobicContact CG-CD1 4.31Å; F1088-F1127 WeakPolarHBondContact O-CA 3.45Å; E1089-F1127 HydrophobicContact CB-CD1 3.89Å; E1089-F1127 HydrophobicContact CB-CE1 3.74Å; E1089-F1127 HydrophobicContact CG-CD1 4Å; E1089-F1127 HydrophobicContact CG-CE1 3.49Å; E1089-F1127 VanDerWaalsContact CG-CE1 3.49Å; E1089-F1127 HydrophobicContact CG-CZ 3.88Å; P1110-F1127 CarbonylContact C-O 3.58Å; P1110-F1127 WeakPolarHBondContact CA-O 3.38Å; V1111-F1127 PolarHBondContact N-O 3.26Å; V1111-F1127 PolarHBondContact O-N 3.44Å; V1113-F1127 HydrophobicContact CB-CD2 4.02Å; V1113-F1127 HydrophobicContact CB-CE2 3.92Å; V1113-F1127 HydrophobicContact CG2-CD2 3.84Å; V1113-F1127 HydrophobicContact CG2-CE2 4.22Å; R1125-F1127 HydrophobicContact CB-CD2 4.23Å; R1125-F1127 HydrophobicContact CB-CE2 3.57Å; R1125-F1127 HydrophobicContact CB-CZ 3.98Å; F1127-M1134 HydrophobicContact CB-CE 3.79Å; F1127-V1231 HydrophobicContact CE2-CG1 3.82Å; F1127-V1231 HydrophobicContact CZ-CG1 3.71Å; F1127-I1232 HydrophobicContact CE1-CD1 3.81Å; F1127-I1232 HydrophobicContact CZ-CD1 4.25Å; F1127-L1235 HydrophobicContact CB-CD1 4.46Å; F1127-L1235 HydrophobicContact CD1-CD1 3.53Å; F1127-L1235 HydrophobicContact CD2-CD1 4.09Å; F1127-L1235 HydrophobicContact CE1-CD1 3.61Å; F1127-L1235 HydrophobicContact CE2-CD1 4.16Å; F1127-L1235 HydrophobicContact CG-CD1 3.77Å; F1127-L1235 HydrophobicContact CZ-CD1 3.93Å
1128W94.9Very high90.9Very high0 Ų019.1 Ų19.10%011%0.108CC..EExtended strand (participates in β ladder)trans-98.8144.8169.9-65-105.3000108.8W1086 L1087 F1088 N1090 M1094 K1099 I1102 L1106 P1110 Y1126W1086-W1128 HydrophobicContact CH2-CB 4.04Å; W1086-W1128 HydrophobicContact CZ3-CB 3.94Å; W1086-W1128 WeakPolarHBondContact CZ3-O 3.35Å; L1087-W1128 CarbonylContact C-O 3.49Å; L1087-W1128 WeakPolarHBondContact CA-O 3.46Å; F1088-W1128 HydrophobicContact CB-CB 4.4Å; F1088-W1128 HydrophobicContact CD1-CD2 4.37Å; F1088-W1128 AromaticContact CD1-CE3 3.74Å; F1088-W1128 HydrophobicContact CD1-CE3 3.74Å; F1088-W1128 HydrophobicContact CD1-CZ3 4.18Å; F1088-W1128 HydrophobicContact CE1-CE3 4.32Å; F1088-W1128 HydrophobicContact CE1-CZ3 4.31Å; F1088-W1128 PolarHBondContact N-O 2.97Å; F1088-W1128 PolarHBondContact O-N 3.21Å; N1090-W1128 HydrophobicContact CB-CZ3 4.09Å; M1094-W1128 HydrophobicContact CE-CH2 3.91Å; M1094-W1128 HydrophobicContact SD-CH2 4.15Å; K1099-W1128 HydrophobicContact CG-CZ2 4.21Å; I1102-W1128 HydrophobicContact CB-CZ2 3.97Å; I1102-W1128 HydrophobicContact CD1-CH2 4.44Å; I1102-W1128 HydrophobicContact CG2-CD2 3.84Å; I1102-W1128 HydrophobicContact CG2-CE3 4.27Å; I1102-W1128 HydrophobicContact CG2-CG 4.41Å; I1102-W1128 HydrophobicContact CG2-CH2 3.96Å; I1102-W1128 HydrophobicContact CG2-CZ2 3.48Å; I1102-W1128 VanDerWaalsContact CG2-CZ2 3.48Å; I1102-W1128 HydrophobicContact CG2-CZ3 4.32Å; L1106-W1128 HydrophobicContact CD1-CB 3.46Å; L1106-W1128 VanDerWaalsContact CD1-CB 3.46Å; L1106-W1128 HydrophobicContact CD1-CD2 4.15Å; L1106-W1128 HydrophobicContact CD1-CG 3.57Å; P1110-W1128 HydrophobicContact CB-CD2 3.69Å; P1110-W1128 HydrophobicContact CB-CE3 4.14Å; P1110-W1128 HydrophobicContact CB-CG 4.1Å; P1110-W1128 HydrophobicContact CB-CH2 4.32Å; P1110-W1128 HydrophobicContact CB-CZ2 3.89Å; P1110-W1128 HydrophobicContact CB-CZ3 4.43Å; P1110-W1128 HydrophobicContact CG-CD2 4.39Å; P1110-W1128 HydrophobicContact CG-CH2 4.48Å; P1110-W1128 HydrophobicContact CG-CZ2 3.78Å; Y1126-W1128 VanDerWaalsContact CB-CZ3 3.4Å; Y1126-W1128 HydrophobicContact CD2-CH2 4.05Å; Y1126-W1128 HydrophobicContact CG-CH2 4.12Å; Y1126-W1128 HydrophobicContact CG-CZ3 4.43Å
1129G93.3Very high90.3Very high2 Ų221.8 Ų21.82%0.02112%0.121CC..EExtended strand (participates in β ladder)trans164.2173.5-178.700000113.9W1086W1086-G1129 WeakPolarHBondContact O-CA 3.28Å
1130N91.5Very high89.8Confident26 Ų2622.6 Ų22.614%0.13913%0.129CC..  trans-114.115177.374.9-28.7000113.5H953 F1084 F1085 W1086H953-N1130 HydrophobicContact CB-CB 4.28Å; F1084-N1130 PolarHBondContact O-ND2 2.99Å; F1085-N1130 VanDerWaalsContact CA-OD1 3.24Å; F1085-N1130 WeakPolarHBondContact CA-OD1 3.42Å; W1086-N1130 VanDerWaalsContact CD1-OD1 3.32Å; W1086-N1130 PolarHBondContact N-OD1 3.09Å; W1086-N1130 PolarHBondContact O-N 3.07Å
1131I91.8Very high89Confident3 Ų325.3 Ų25.32%0.01515%0.148CC..  trans-67.3132.6174.9-55.5175.3000108.8F1085 L1087 G1133 M1134 L1235 F1236 P1238 L1239F1085-I1131 HydrophobicContact CB-CG1 4.21Å; L1087-I1131 HydrophobicContact CB-CD1 4.12Å; L1087-I1131 HydrophobicContact CD1-CD1 4.43Å; I1131-G1133 PolarHBondContact O-N 3.11Å; I1131-M1134 HydrophobicContact CB-CG 3.88Å; I1131-M1134 HydrophobicContact CB-SD 3.91Å; I1131-M1134 HydrophobicContact CG1-SD 4.47Å; I1131-M1134 VanDerWaalsContact O-CG 3.27Å; I1131-M1134 WeakPolarHBondContact O-CG 3.25Å; I1131-L1235 WeakPolarHBondContact CG2-O 3.27Å; I1131-F1236 HydrophobicContact CD1-CD1 4.06Å; I1131-F1236 HydrophobicContact CD1-CE1 4.26Å; I1131-P1238 HydrophobicContact CG2-CB 4.42Å; I1131-P1238 HydrophobicContact CG2-CG 4.46Å; I1131-L1239 HydrophobicContact CG2-CD2 4.01Å; I1131-L1239 HydrophobicContact CG2-CG 4.31Å
1132P88.1Confident88.1Confident14 Ų1434.4 Ų34.49%0.09119%0.189CC..THydrogen-bonded Turntrans-58.7136.6-179.3-27.436000113F942 F1085 M1134 P1238 Y1242F942-P1132 HydrophobicContact CB-CB 4.45Å; F1085-P1132 HydrophobicContact CE1-CG 4.31Å; P1132-M1134 VanDerWaalsContact C-N 3.28Å; P1132-M1134 PolarHBondContact O-N 3.19Å; P1132-P1238 HydrophobicContact CB-CB 4.45Å; P1132-P1238 VanDerWaalsContact O-CG 3.27Å; P1132-P1238 WeakPolarHBondContact O-CG 3.34Å; P1132-Y1242 HydrophobicContact CG-CE2 4.14Å
1133G84.8Confident87.4Confident1 Ų134.3 Ų34.31%0.0119%0.192CC..THydrogen-bonded Turntrans67.523.3170.300000114.9I1131 S1135 R1136I1131-G1133 PolarHBondContact O-N 3.11Å; G1133-S1135 PolarHBondContact O-N 3.27Å; G1133-R1136 WeakPolarHBondContact O-CB 3.49Å; G1133-R1136 WeakPolarHBondContact O-CD 3.49Å; G1133-R1136 WeakPolarHBondContact O-CG 3.5Å; G1133-R1136 PolarHBondContact O-N 3.26Å; G1133-R1136 VanDerWaalsContact O-N 3.11Å; G1133-R1136 PolarHBondContact O-NH1 2.93Å
1134M87.3Confident87Confident3 Ų334.9 Ų34.92%0.01520%0.196CC..THydrogen-bonded Turntrans-53.6-35.9169.4-74.9172.957.200112.1L1087 V1111 F1127 I1131 P1132 R1136 L1235L1087-M1134 HydrophobicContact CD1-CE 3.42Å; L1087-M1134 VanDerWaalsContact CD1-CE 3.42Å; L1087-M1134 HydrophobicContact CD1-SD 3.95Å; V1111-M1134 HydrophobicContact CG2-CB 3.95Å; V1111-M1134 HydrophobicContact CG2-CE 4.47Å; F1127-M1134 HydrophobicContact CB-CE 3.79Å; I1131-M1134 HydrophobicContact CB-CG 3.88Å; I1131-M1134 HydrophobicContact CB-SD 3.91Å; I1131-M1134 HydrophobicContact CG1-SD 4.47Å; I1131-M1134 VanDerWaalsContact O-CG 3.27Å; I1131-M1134 WeakPolarHBondContact O-CG 3.25Å; P1132-M1134 VanDerWaalsContact C-N 3.28Å; P1132-M1134 PolarHBondContact O-N 3.19Å; M1134-R1136 VanDerWaalsContact C-N 3.27Å; M1134-R1136 PolarHBondContact O-N 3.47Å; M1134-L1235 HydrophobicContact CB-CD2 4.04Å; M1134-L1235 HydrophobicContact CG-CD2 3.88Å
1135S83.4Confident86.8Confident69 Ų6938.2 Ų38.248%0.48321%0.206SC..THydrogen-bonded Turntrans-73.2-8.3179.951.80000114.8G1133G1133-S1135 PolarHBondContact O-N 3.27Å
1136R86.4Confident86.6Confident11 Ų1140 Ų404%0.04222%0.217CC..SBendtrans-68.8151.3-17786.9-167.6-173.1-76.65112.1T855 Y859 F942 G1133 M1134 I1138 H1234T855-R1136 HydrophobicContact CG2-CB 4.24Å; T855-R1136 WeakPolarHBondContact O-CB 3.48Å; Y859-R1136 PolarHBondContact O-NH2 2.91Å; F942-R1136 HydrophobicContact CE1-CB 4.45Å; G1133-R1136 WeakPolarHBondContact O-CB 3.49Å; G1133-R1136 WeakPolarHBondContact O-CD 3.49Å; G1133-R1136 WeakPolarHBondContact O-CG 3.5Å; G1133-R1136 PolarHBondContact O-N 3.26Å; G1133-R1136 VanDerWaalsContact O-N 3.11Å; G1133-R1136 PolarHBondContact O-NH1 2.93Å; M1134-R1136 VanDerWaalsContact C-N 3.27Å; M1134-R1136 PolarHBondContact O-N 3.47Å; R1136-I1138 PolarHBondContact O-N 2.99Å; R1136-H1234 VanDerWaalsContact CZ-CE1 3.45Å; R1136-H1234 VanDerWaalsContact CZ-O 3.25Å; R1136-H1234 PolarHBondContact NH1-O 2.89Å; R1136-H1234 PolarHBondContact NH2-ND1 3.13Å; R1136-H1234 PolarHBondContact NH2-O 3Å; R1136-H1234 PolarHBondContact O-NE2 2.86Å
1137P84.6Confident86.5Confident65 Ų6542.1 Ų42.142%0.42223%0.231SC..PPolyproline II helixtrans-59.7120.6-177.6-21.532.3000112.5E856E856-P1137 HydrophobicContact CG-CB 4.18Å; E856-P1137 HydrophobicContact CG-CG 4.35Å
1138I85.1Confident86.4Confident10 Ų1042 Ų425%0.05123%0.23CC..PPolyproline II helixtrans-76.5129.9168.1-166.2174.2000110V1113 K1117 V1118 R1136 V1231 H1234V1113-I1138 HydrophobicContact CG1-CB 4.27Å; V1113-I1138 HydrophobicContact CG1-CD1 3.84Å; V1113-I1138 HydrophobicContact CG1-CG2 3.8Å; K1117-I1138 HydrophobicContact CB-CG2 4.1Å; K1117-I1138 HydrophobicContact CD-CG2 3.6Å; K1117-I1138 WeakPolarHBondContact CD-O 3.4Å; K1117-I1138 HydrophobicContact CG-CG2 4.46Å; V1118-I1138 HydrophobicContact CG1-CD1 3.8Å; V1118-I1138 HydrophobicContact CG1-CG1 3.61Å; V1118-I1138 HydrophobicContact CG2-CD1 3.91Å; R1136-I1138 PolarHBondContact O-N 2.99Å; I1138-V1231 HydrophobicContact CD1-CB 4.39Å; I1138-V1231 HydrophobicContact CD1-CG2 3.98Å; I1138-H1234 VanDerWaalsContact CA-CE1 3.46Å; I1138-H1234 WeakPolarHBondContact CA-CE1 3.28Å; I1138-H1234 HydrophobicContact CD1-CB 3.85Å; I1138-H1234 HydrophobicContact CG1-CB 4Å
1139I79.9Confident86.5Confident60 Ų6046 Ų4631%0.30825%0.249SC..  trans-143.8149177.9-52.2-168.5000107.8E856E856-I1139 HydrophobicContact CG-CD1 4.01Å; E856-I1139 WeakPolarHBondContact OE1-CD1 3.33Å; E856-I1139 WeakPolarHBondContact OE2-CD1 3.41Å
1140A81.9Confident86.4Confident24 Ų2449.7 Ų49.720%0.19827%0.268CS..  trans-61.9140.3177.500000113.6D1144 L1146A1140-D1144 HydrophobicContact CB-CB 3.99Å; A1140-L1146 HydrophobicContact CB-CD1 4.01Å; A1140-L1146 HydrophobicContact CB-CD2 3.98Å; A1140-L1146 HydrophobicContact CB-CG 4.15Å
1141S78.8Confident86.6Confident58 Ų5848.5 Ų48.541%0.40626%0.262SS..  trans-71.4173.7154.768.60000110.7N1143 D1144S1141-N1143 PolarHBondContact O-N 2.82Å; S1141-N1143 PolarHBondContact OG-N 3.43Å; S1141-D1144 WeakPolarHBondContact CB-OD2 3.48Å; S1141-D1144 PolarHBondContact N-OD2 3.35Å; S1141-D1144 PolarHBondContact OG-N 3.19Å; S1141-D1144 PolarHBondContact OG-OD2 3.38Å
1142Q73.4Confident86.8Confident195 Ų19549 Ų4991%0.91127%0.265SS*.SBendtrans-65.2-23.7174.3-57.4-171.634.300112.9
1143N77.4Confident87Confident78 Ų7850.1 Ų50.142%0.41727%0.269SS..SBendtrans-89.8-21.4-174.4-68.7-9.9000112.8E863 S1141 K1145E863-N1143 PolarHBondContact OE1-ND2 2.99Å; E863-N1143 PolarHBondContact OE2-ND2 3.46Å; S1141-N1143 PolarHBondContact O-N 2.82Å; S1141-N1143 PolarHBondContact OG-N 3.43Å; N1143-K1145 WeakPolarHBondContact O-CD 3.2Å; N1143-K1145 VanDerWaalsContact O-CE 3.29Å; N1143-K1145 WeakPolarHBondContact O-CE 3.48Å; N1143-K1145 PolarHBondContact O-N 3.22Å; N1143-K1145 PolarHBondContact O-NZ 3.37Å
1144D85.1Confident87.3Confident27 Ų2758.5 Ų58.514%0.14431%0.312CS..SBendtrans-66.4125.4177.7-68.7-46.1000112.1V1118 A1140 S1141 L1146 P1230 R1233V1118-D1144 WeakPolarHBondContact O-CB 3.44Å; A1140-D1144 HydrophobicContact CB-CB 3.99Å; S1141-D1144 WeakPolarHBondContact CB-OD2 3.48Å; S1141-D1144 PolarHBondContact N-OD2 3.35Å; S1141-D1144 PolarHBondContact OG-N 3.19Å; S1141-D1144 PolarHBondContact OG-OD2 3.38Å; D1144-L1146 PolarHBondContact O-N 2.82Å; D1144-P1230 WeakPolarHBondContact OD1-CB 3.25Å; D1144-R1233 IonicContact OD1-NH1 2.69Å; D1144-R1233 PolarHBondContact OD1-NH1 3Å
1145K87.9Confident87.4Confident94 Ų9461.1 Ų61.141%0.40934%0.34SS..  trans-83.9110.2-173.6-58.6-44.4177.6-144.10110.8S1119 P1120 N1143 D1150 C1151S1119-K1145 CarbonylContact C-O 3.42Å; S1119-K1145 WeakPolarHBondContact CA-O 3.46Å; P1120-K1145 VanDerWaalsContact CD-O 3.23Å; P1120-K1145 WeakPolarHBondContact CD-O 3.4Å; N1143-K1145 WeakPolarHBondContact O-CD 3.2Å; N1143-K1145 VanDerWaalsContact O-CE 3.29Å; N1143-K1145 WeakPolarHBondContact O-CE 3.48Å; N1143-K1145 PolarHBondContact O-N 3.22Å; N1143-K1145 PolarHBondContact O-NZ 3.37Å; K1145-D1150 HydrophobicContact CB-CB 4Å; K1145-D1150 HydrophobicContact CD-CB 4.14Å; K1145-D1150 HydrophobicContact CG-CB 4.32Å; K1145-C1151 VanDerWaalsContact CB-SG 3.58Å
1146L91.3Very high88Confident65 Ų6558 Ų5834%0.3432%0.317SS..  trans-89.8-29.1-172.6-73.3-177.3000114.3A1140 D1144 K1162A1140-L1146 HydrophobicContact CB-CD1 4.01Å; A1140-L1146 HydrophobicContact CB-CD2 3.98Å; A1140-L1146 HydrophobicContact CB-CG 4.15Å; D1144-L1146 PolarHBondContact O-N 2.82Å; L1146-K1162 VanDerWaalsContact O-CE 3.31Å; L1146-K1162 WeakPolarHBondContact O-CE 3.35Å; L1146-K1162 PolarHBondContact O-NZ 2.82Å
1147N93.3Very high88.4Confident76 Ų7663.9 Ų63.941%0.40635%0.346SS..SBendtrans-105.6146.7178.2-45.3-81.5000110Q1149 D1150N1147-Q1149 PolarHBondContact O-N 3.04Å; N1147-D1150 WeakPolarHBondContact CA-OD2 3.44Å; N1147-D1150 VanDerWaalsContact CB-OD2 3.26Å; N1147-D1150 WeakPolarHBondContact CB-OD2 3.44Å; N1147-D1150 PolarHBondContact N-OD2 2.92Å; N1147-D1150 PolarHBondContact ND2-OD2 2.94Å; N1147-D1150 WeakPolarHBondContact O-CB 3.38Å; N1147-D1150 PolarHBondContact O-N 2.75Å
1148L94.7Very high88.9Confident0 Ų062.2 Ų62.20%034%0.337CS..G310 helixtrans-56.2-36.8177.8-174.266.5000112.2P1120 D1150 C1151 L1152 A1158 V1160 T1161 V1163 P1183 L1193 I1201P1120-L1148 HydrophobicContact CB-CB 4.36Å; P1120-L1148 HydrophobicContact CG-CD1 4.47Å; L1148-D1150 PolarHBondContact O-N 2.96Å; L1148-C1151 WeakPolarHBondContact O-CB 3.19Å; L1148-C1151 PolarHBondContact O-N 3.13Å; L1148-L1152 HydrophobicContact CG-CD2 4.23Å; L1148-L1152 WeakPolarHBondContact O-CG 3.48Å; L1148-L1152 PolarHBondContact O-N 2.89Å; L1148-A1158 HydrophobicContact CB-CB 3.99Å; L1148-A1158 HydrophobicContact CD2-CB 4.05Å; L1148-A1158 HydrophobicContact CG-CB 4.15Å; L1148-V1160 VanDerWaalsContact CB-O 3.32Å; L1148-V1160 WeakPolarHBondContact CB-O 3.48Å; L1148-V1160 HydrophobicContact CD2-CG2 3.91Å; L1148-T1161 PolarHBondContact N-O 2.95Å; L1148-V1163 HydrophobicContact CD1-CG1 3.84Å; L1148-V1163 HydrophobicContact CD2-CG1 3.7Å; L1148-V1163 HydrophobicContact CG-CG1 4.33Å; L1148-P1183 HydrophobicContact CD2-CB 4.16Å; L1148-L1193 HydrophobicContact CD1-CD1 4.39Å; L1148-L1193 HydrophobicContact CD1-CD2 3.94Å; L1148-L1193 HydrophobicContact CD2-CD2 4.44Å; L1148-L1193 HydrophobicContact CG-CD2 4.49Å; L1148-I1201 HydrophobicContact CD1-CD1 3.52Å; L1148-I1201 HydrophobicContact CD1-CG1 4.16Å
1149Q95.8Very high89.3Confident86 Ų8665.9 Ų65.940%0.40235%0.35SS..G310 helixtrans-56.7-33.6177.9-170.85970.100112.9N1147 C1151 L1152 R1156 A1158N1147-Q1149 PolarHBondContact O-N 3.04Å; Q1149-C1151 PolarHBondContact O-N 3.47Å; Q1149-L1152 PolarHBondContact O-N 3.09Å; Q1149-R1156 PolarHBondContact NE2-O 3.2Å; Q1149-A1158 HydrophobicContact CB-CB 3.94Å
1150D93Very high89.8Confident79 Ų7964.7 Ų64.742%0.42235%0.346SS..G310 helixtrans-72-12.3-179.4-46.6-32.2000112.1K1145 N1147 L1148K1145-D1150 HydrophobicContact CB-CB 4Å; K1145-D1150 HydrophobicContact CD-CB 4.14Å; K1145-D1150 HydrophobicContact CG-CB 4.32Å; N1147-D1150 WeakPolarHBondContact CA-OD2 3.44Å; N1147-D1150 VanDerWaalsContact CB-OD2 3.26Å; N1147-D1150 WeakPolarHBondContact CB-OD2 3.44Å; N1147-D1150 PolarHBondContact N-OD2 2.92Å; N1147-D1150 PolarHBondContact ND2-OD2 2.94Å; N1147-D1150 WeakPolarHBondContact O-CB 3.38Å; N1147-D1150 PolarHBondContact O-N 2.75Å; L1148-D1150 PolarHBondContact O-N 2.96Å
1151C94.4Very high90.3Very high1 Ų168.3 Ų68.31%0.00737%0.365CS..G310 helixtrans-103.7-17.5176.8-65.10000114.1K1145 L1148 Q1149 K1200 I1201K1145-C1151 VanDerWaalsContact CB-SG 3.58Å; L1148-C1151 WeakPolarHBondContact O-CB 3.19Å; L1148-C1151 PolarHBondContact O-N 3.13Å; Q1149-C1151 PolarHBondContact O-N 3.47Å; C1151-K1200 HydrophobicContact CB-CB 4.07Å; C1151-K1200 HydrophobicContact CB-CD 4.48Å; C1151-K1200 WeakPolarHBondContact O-CD 3.29Å; C1151-K1200 PolarHBondContact O-NZ 3.37Å; C1151-K1200 VanDerWaalsContact O-NZ 3.09Å; C1151-I1201 HydrophobicContact CB-CD1 4.48Å; C1151-I1201 HydrophobicContact CB-CG1 3.75Å
1152L95.6Very high91Very high14 Ų1468.2 Ų68.27%0.07336%0.358CS..SBendtrans-68164.9-176-58.4-171.2000112.4L1148 Q1149 R1156 A1158 V1184 L1193 E1197 K1200L1148-L1152 HydrophobicContact CG-CD2 4.23Å; L1148-L1152 WeakPolarHBondContact O-CG 3.48Å; L1148-L1152 PolarHBondContact O-N 2.89Å; Q1149-L1152 PolarHBondContact O-N 3.09Å; L1152-R1156 HydrophobicContact CB-CB 4.28Å; L1152-R1156 HydrophobicContact CD1-CB 4.16Å; L1152-A1158 HydrophobicContact CD1-CB 3.92Å; L1152-V1184 HydrophobicContact CD1-CG1 4.03Å; L1152-V1184 HydrophobicContact CD1-CG2 4.03Å; L1152-V1184 HydrophobicContact CD2-CG2 3.72Å; L1152-L1193 HydrophobicContact CD2-CD2 3.68Å; L1152-E1197 WeakPolarHBondContact CA-OE1 3.46Å; L1152-E1197 HydrophobicContact CD2-CG 4.39Å; L1152-E1197 WeakPolarHBondContact CD2-OE1 3.21Å; L1152-K1200 PolarHBondContact O-NZ 2.89Å
1153E93.4Very high92Very high37 Ų3759 Ų5917%0.17331%0.314CS..PPolyproline II helixtrans-84.1162.6165.8-54.9-63.2149.800111.2R1156 W1194 T1196 E1197 K1200 K1206E1153-R1156 WeakPolarHBondContact O-CB 3.48Å; E1153-R1156 PolarHBondContact O-N 2.79Å; E1153-W1194 HydrophobicContact CB-CE3 4.36Å; E1153-W1194 HydrophobicContact CB-CZ3 4.05Å; E1153-W1194 HydrophobicContact CG-CE3 3.86Å; E1153-W1194 HydrophobicContact CG-CZ3 3.97Å; E1153-T1196 PolarHBondContact OE1-OG1 2.88Å; E1153-E1197 HydrophobicContact CG-CG 4.23Å; E1153-E1197 PolarHBondContact N-OE1 3.34Å; E1153-K1200 VanDerWaalsContact CD-NZ 3.32Å; E1153-K1200 IonicContact OE1-NZ 3.81Å; E1153-K1200 PolarHBondContact OE1-NZ 3.12Å; E1153-K1200 IonicContact OE2-NZ 3.67Å; E1153-K1206 VanDerWaalsContact OE1-CE 3.28Å; E1153-K1206 WeakPolarHBondContact OE1-CE 3.33Å; E1153-K1206 IonicContact OE1-NZ 3.44Å; E1153-K1206 PolarHBondContact OE1-NZ 2.89Å; E1153-K1206 VanDerWaalsContact OE1-NZ 3.11Å; E1153-K1206 IonicContact OE2-NZ 3.51Å; E1153-K1206 PolarHBondContact OE2-NZ 3.41Å
1154L90.7Very high92.6Very high176 Ų17660.4 Ų60.492%0.92131%0.314SS*.THydrogen-bonded Turntrans-59.9139.4-175.7-66.3172.7000112.6
1155G89.9Confident92.7Very high58 Ų5861.5 Ų61.560%0.59832%0.322SS*.THydrogen-bonded Turntrans79.614.1-178.500000115
1156R95.9Very high92.8Very high4 Ų457.1 Ų57.12%0.01530%0.303CS..EExtended strand (participates in β ladder)trans-120.2135.4176-66.9165.260.379-8.2110.3Q1149 L1152 E1153 V1184 M1185 Q1186 D1191 I1192 W1194 E1197Q1149-R1156 PolarHBondContact NE2-O 3.2Å; L1152-R1156 HydrophobicContact CB-CB 4.28Å; L1152-R1156 HydrophobicContact CD1-CB 4.16Å; E1153-R1156 WeakPolarHBondContact O-CB 3.48Å; E1153-R1156 PolarHBondContact O-N 2.79Å; R1156-V1184 HydrophobicContact CB-CG1 3.85Å; R1156-V1184 HydrophobicContact CG-CG1 4.4Å; R1156-M1185 WeakPolarHBondContact CA-O 3.16Å; R1156-Q1186 HydrophobicContact CG-CB 4.16Å; R1156-Q1186 HydrophobicContact CG-CG 3.98Å; R1156-D1191 IonicContact CZ-OD2 3.22Å; R1156-D1191 IonicContact NH1-OD2 2.71Å; R1156-D1191 PolarHBondContact NH1-OD2 3.36Å; R1156-D1191 IonicContact NH2-OD2 3.75Å; R1156-D1191 PolarHBondContact NH2-OD2 3.47Å; R1156-I1192 PolarHBondContact NH2-O 3.1Å; R1156-W1194 VanDerWaalsContact CZ-NE1 3.35Å; R1156-W1194 VanDerWaalsContact NH1-CE2 3.33Å; R1156-W1194 VanDerWaalsContact NH2-CD1 3.34Å; R1156-E1197 IonicContact CZ-OE1 3.84Å; R1156-E1197 IonicContact CZ-OE2 2.73Å; R1156-E1197 IonicContact NE-OE1 3.2Å; R1156-E1197 PolarHBondContact NE-OE1 3Å; R1156-E1197 IonicContact NE-OE2 3.9Å; R1156-E1197 IonicContact NH2-OE1 2.84Å; R1156-E1197 IonicContact NH2-OE2 3.16Å; R1156-E1197 PolarHBondContact NH2-OE2 3.46Å
1157E95.3Very high92.6Very high135 Ų13556.3 Ų56.363%0.63130%0.301SS*.EExtended strand (participates in β ladder)trans-113.9131.2-172.1-65.3177.5169.500111.3V1184 M1185E1157-V1184 CarbonylContact O-C 3.56Å; E1157-V1184 WeakPolarHBondContact O-CA 3.44Å; E1157-M1185 HydrophobicContact CB-CB 4.34Å; E1157-M1185 PolarHBondContact N-O 2.91Å; E1157-M1185 PolarHBondContact O-N 3.21Å
1158A94.8Very high92.4Very high30 Ų3055.2 Ų55.225%0.24830%0.297CS..EExtended strand (participates in β ladder)trans-81.1123179.800000111.7L1148 Q1149 L1152 V1160L1148-A1158 HydrophobicContact CB-CB 3.99Å; L1148-A1158 HydrophobicContact CD2-CB 4.05Å; L1148-A1158 HydrophobicContact CG-CB 4.15Å; Q1149-A1158 HydrophobicContact CB-CB 3.94Å; L1152-A1158 HydrophobicContact CD1-CB 3.92Å; A1158-V1160 VanDerWaalsContact C-N 3.35Å
1159R92.9Very high92.1Very high87 Ų8759.2 Ų59.233%0.32832%0.318SS..SBendtrans-84.4-12.9176.8-57.3173.183.2-169.618.1113.3L1181 L1182 P1183 M1185 E1190R1159-L1181 VanDerWaalsContact NH1-CD1 3.27Å; R1159-L1182 VanDerWaalsContact CD-O 3.27Å; R1159-L1182 WeakPolarHBondContact CD-O 3.46Å; R1159-L1182 PolarHBondContact NH1-O 3.45Å; R1159-P1183 WeakPolarHBondContact CB-O 3.4Å; R1159-P1183 PolarHBondContact N-O 3.3Å; R1159-M1185 VanDerWaalsContact CD-SD 3.59Å; R1159-M1185 HydrophobicContact CG-CG 3.62Å; R1159-M1185 HydrophobicContact CG-SD 4.29Å; R1159-E1190 IonicContact CZ-OE1 3.81Å; R1159-E1190 VanDerWaalsContact CZ-OE1 3.26Å; R1159-E1190 IonicContact CZ-OE2 3.07Å; R1159-E1190 IonicContact NH1-OE1 3.16Å; R1159-E1190 PolarHBondContact NH1-OE1 3.25Å; R1159-E1190 IonicContact NH1-OE2 2.73Å; R1159-E1190 PolarHBondContact NH1-OE2 2.99Å; R1159-E1190 IonicContact NH2-OE1 3.41Å; R1159-E1190 PolarHBondContact NH2-OE1 3.38Å; R1159-E1190 IonicContact NH2-OE2 3.1Å
1160V91.3Very high91.6Very high35 Ų3557.6 Ų57.621%0.21232%0.315CS..  trans-137.5141.2178.3-62.70000109.2L1148 A1158 K1162 V1163 Q1175 P1183L1148-V1160 VanDerWaalsContact CB-O 3.32Å; L1148-V1160 WeakPolarHBondContact CB-O 3.48Å; L1148-V1160 HydrophobicContact CD2-CG2 3.91Å; A1158-V1160 VanDerWaalsContact C-N 3.35Å; V1160-K1162 WeakPolarHBondContact CB-O 3.29Å; V1160-K1162 WeakPolarHBondContact CG2-O 3.46Å; V1160-V1163 HydrophobicContact CG2-CG1 3.84Å; V1160-Q1175 HydrophobicContact CG2-CG 4.43Å; V1160-P1183 HydrophobicContact CG2-CB 4.24Å
1161T92.5Very high91.3Very high99 Ų9957.9 Ų57.961%0.60732%0.316SS*.SBendtrans-72.5-35.4177.350.50000112.1L1148L1148-T1161 PolarHBondContact N-O 2.95Å
1162K93.4Very high90.9Very high57 Ų5758.8 Ų58.825%0.24832%0.323CS..SBendtrans-126.5145.4175.1-59.6-64.2-164.8174.70110.6V1116 S1119 P1120 L1146 V1160V1116-K1162 HydrophobicContact CG2-CD 3.81Å; V1116-K1162 HydrophobicContact CG2-CG 4.05Å; V1116-K1162 PolarHBondContact O-NZ 2.99Å; S1119-K1162 PolarHBondContact O-NZ 3.48Å; P1120-K1162 HydrophobicContact CB-CD 4.45Å; P1120-K1162 CarbonylContact O-C 3.46Å; P1120-K1162 WeakPolarHBondContact O-CA 3.47Å; L1146-K1162 VanDerWaalsContact O-CE 3.31Å; L1146-K1162 WeakPolarHBondContact O-CE 3.35Å; L1146-K1162 PolarHBondContact O-NZ 2.82Å; V1160-K1162 WeakPolarHBondContact CB-O 3.29Å; V1160-K1162 WeakPolarHBondContact CG2-O 3.46Å
1163V92.8Very high90.6Very high0 Ų058.2 Ų58.20%032%0.32CS..BIsolated β-bridgetrans-101.9153.1172-63.40000111.9P1120 A1121 H1122 L1148 V1160 I1166 P1183 L1193P1120-V1163 PolarHBondContact O-N 3.06Å; A1121-V1163 WeakPolarHBondContact CA-O 3.48Å; A1121-V1163 HydrophobicContact CB-CG2 3.67Å; H1122-V1163 PolarHBondContact CD2-O 2.82Å; H1122-V1163 PolarHBondContact N-O 3.01Å; L1148-V1163 HydrophobicContact CD1-CG1 3.84Å; L1148-V1163 HydrophobicContact CD2-CG1 3.7Å; L1148-V1163 HydrophobicContact CG-CG1 4.33Å; V1160-V1163 HydrophobicContact CG2-CG1 3.84Å; V1163-I1166 HydrophobicContact CG2-CD1 3.93Å; V1163-I1166 HydrophobicContact CG2-CG1 4.42Å; V1163-P1183 HydrophobicContact CG1-CB 4.27Å; V1163-L1193 HydrophobicContact CG1-CD1 4.38Å
1164R90.4Very high90.3Very high109 Ų10959.8 Ų59.841%0.41133%0.326SS..  trans-65.4171.5171.1-70.1177.6176174.63.9112.4I1166 G1176R1164-I1166 PolarHBondContact O-N 3.39Å; R1164-G1176 PolarHBondContact NH1-O 3.04Å; R1164-G1176 VanDerWaalsContact NH2-C 3.35Å; R1164-G1176 PolarHBondContact NH2-O 2.96Å
1165T87.9Confident90.1Very high50 Ų5051.8 Ų51.831%0.30728%0.284SS..  trans-55.7103.7179.8-420000113H1122 T1167H1122-T1165 WeakPolarHBondContact O-CA 3.35Å; H1122-T1165 PolarHBondContact O-OG1 2.85Å; T1165-T1167 HydrophobicContact CG2-CG2 4.32Å; T1165-T1167 WeakPolarHBondContact O-CG2 3.32Å; T1165-T1167 PolarHBondContact O-N 3.18Å
1166I89.5Confident89.6Confident2 Ų250.4 Ų50.41%0.0127%0.269CS..  trans-67.4126.9172.2-63.5155.3000109.1A1121 R1123 V1163 R1164 L1173 L1198 I1201 F1202A1121-I1166 HydrophobicContact CB-CD1 4.29Å; R1123-I1166 PolarHBondContact NH1-O 2.99Å; V1163-I1166 HydrophobicContact CG2-CD1 3.93Å; V1163-I1166 HydrophobicContact CG2-CG1 4.42Å; R1164-I1166 PolarHBondContact O-N 3.39Å; I1166-L1173 HydrophobicContact CG1-CD2 4.17Å; I1166-L1173 HydrophobicContact CG2-CD2 4.01Å; I1166-L1198 HydrophobicContact CD1-CD2 3.67Å; I1166-L1198 HydrophobicContact CG1-CD2 4.33Å; I1166-L1198 HydrophobicContact CG2-CD2 4.31Å; I1166-I1201 HydrophobicContact CD1-CG2 3.82Å; I1166-F1202 HydrophobicContact CB-CE2 3.94Å; I1166-F1202 HydrophobicContact CB-CZ 4.14Å; I1166-F1202 HydrophobicContact CD1-CE2 3.9Å; I1166-F1202 HydrophobicContact CG2-CE2 3.9Å; I1166-F1202 HydrophobicContact CG2-CZ 4.11Å
1167T87.9Confident88.4Confident48 Ų4859.1 Ų59.129%0.29431%0.308SS..  trans-129.3-177.5179.972.40000111.5T1165 N1169 S1172 Q1220T1165-T1167 HydrophobicContact CG2-CG2 4.32Å; T1165-T1167 WeakPolarHBondContact O-CG2 3.32Å; T1165-T1167 PolarHBondContact O-N 3.18Å; T1167-N1169 PolarHBondContact O-N 3.47Å; T1167-N1169 PolarHBondContact OG1-N 2.94Å; T1167-S1172 PolarHBondContact N-OG 3.28Å; T1167-S1172 PolarHBondContact O-OG 3.21Å; T1167-S1172 WeakPolarHBondContact OG1-CB 3.34Å; T1167-S1172 PolarHBondContact OG1-OG 3.49Å; T1167-Q1220 PolarHBondContact O-NE2 2.68Å
1168T88.4Confident87.4Confident52 Ų5259.3 Ų59.332%0.31931%0.313SS..SBendtrans-62.3-13.6172.451.70000114.2K1221 K1225T1168-K1221 HydrophobicContact CG2-CB 4.48Å; T1168-K1225 HydrophobicContact CG2-CG 3.89Å
1169N87.7Confident86.6Confident84 Ų8460.7 Ų60.745%0.44932%0.318SS..SBendtrans-88.2124178-175.1-25.5000110.6T1167 N1171 S1172 Q1220T1167-N1169 PolarHBondContact O-N 3.47Å; T1167-N1169 PolarHBondContact OG1-N 2.94Å; N1169-N1171 PolarHBondContact O-N 3.11Å; N1169-N1171 VanDerWaalsContact O-N 3.14Å; N1169-N1171 WeakPolarHBondContact OD1-CB 3.37Å; N1169-N1171 PolarHBondContact OD1-N 3.28Å; N1169-S1172 WeakPolarHBondContact O-CB 3.45Å; N1169-S1172 PolarHBondContact O-N 3.33Å; N1169-S1172 PolarHBondContact O-OG 3.24Å; N1169-Q1220 PolarHBondContact O-NE2 2.71Å
1170P85.8Confident86Confident52 Ų5260.3 Ų60.334%0.33833%0.329SS..G310 helixtrans-49.7-35.9175-30.737.7000115S1172 L1173P1170-S1172 PolarHBondContact O-N 3.06Å; P1170-L1173 PolarHBondContact O-N 2.9Å
1171N87.3Confident85.7Confident85 Ų8561.3 Ų61.346%0.45533%0.333SS..G310 helixtrans-67.4-17179.9-72.1-23.9000113.6N1169 L1173 K1174 V1179N1169-N1171 PolarHBondContact O-N 3.11Å; N1169-N1171 VanDerWaalsContact O-N 3.14Å; N1169-N1171 WeakPolarHBondContact OD1-CB 3.37Å; N1169-N1171 PolarHBondContact OD1-N 3.28Å; N1171-L1173 PolarHBondContact O-N 3.22Å; N1171-K1174 PolarHBondContact O-N 3Å; N1171-V1179 HydrophobicContact CB-CG1 4.2Å; N1171-V1179 WeakPolarHBondContact O-CG1 3.44Å
1172S86.6Confident85.6Confident20 Ų2058.2 Ų58.214%0.1431%0.312CS..G310 helixtrans-66.1-15174.466.70000114.2T1167 N1169 P1170 K1174T1167-S1172 PolarHBondContact N-OG 3.28Å; T1167-S1172 PolarHBondContact O-OG 3.21Å; T1167-S1172 WeakPolarHBondContact OG1-CB 3.34Å; T1167-S1172 PolarHBondContact OG1-OG 3.49Å; N1169-S1172 WeakPolarHBondContact O-CB 3.45Å; N1169-S1172 PolarHBondContact O-N 3.33Å; N1169-S1172 PolarHBondContact O-OG 3.24Å; P1170-S1172 PolarHBondContact O-N 3.06Å; S1172-K1174 VanDerWaalsContact C-N 3.3Å
1173L87.3Confident85.6Confident3 Ų355.5 Ų55.52%0.01630%0.3CS..G310 helixtrans-75.9-19.8172.8-57.8-173.9000112.6I1166 P1170 N1171 Q1175 P1183 L1198I1166-L1173 HydrophobicContact CG1-CD2 4.17Å; I1166-L1173 HydrophobicContact CG2-CD2 4.01Å; P1170-L1173 PolarHBondContact O-N 2.9Å; N1171-L1173 PolarHBondContact O-N 3.22Å; L1173-Q1175 PolarHBondContact O-NE2 2.86Å; L1173-P1183 WeakPolarHBondContact O-CD 3.43Å; L1173-P1183 WeakPolarHBondContact O-CG 3.43Å; L1173-L1198 HydrophobicContact CD1-CD1 4.46Å; L1173-L1198 HydrophobicContact CD2-CD1 4.19Å; L1173-L1198 HydrophobicContact CD2-CD2 3.82Å
1174K88.8Confident85.7Confident70 Ų7055.5 Ų55.530%0.30430%0.3SS..  trans-86.2149.6178.4-53.2-173.5-178.4-178.90111.2N1171 S1172 V1179 L1181 L1182N1171-K1174 PolarHBondContact O-N 3Å; S1172-K1174 VanDerWaalsContact C-N 3.3Å; K1174-V1179 HydrophobicContact CB-CG1 3.81Å; K1174-V1179 WeakPolarHBondContact CB-O 3.46Å; K1174-V1179 HydrophobicContact CD-CG1 4.44Å; K1174-V1179 WeakPolarHBondContact CD-O 3.29Å; K1174-L1181 CarbonylContact C-O 3.59Å; K1174-L1181 WeakPolarHBondContact CA-O 3.42Å; K1174-L1182 HydrophobicContact CD-CD2 4.1Å; K1174-L1182 HydrophobicContact CG-CD2 3.84Å
1175Q86.3Confident85.8Confident8 Ų852.1 Ų52.14%0.03729%0.29CS..BIsolated β-bridgetrans-117.6-175.4-174.1-45.7-56.3-49.400110.5V1160 L1173 S1180 L1181 P1183V1160-Q1175 HydrophobicContact CG2-CG 4.43Å; L1173-Q1175 PolarHBondContact O-NE2 2.86Å; Q1175-S1180 PolarHBondContact O-N 3.48Å; Q1175-L1181 HydrophobicContact CB-CB 4.32Å; Q1175-L1181 HydrophobicContact CB-CD2 4.28Å; Q1175-L1181 PolarHBondContact N-O 2.99Å; Q1175-L1181 PolarHBondContact O-N 3.22Å; Q1175-P1183 HydrophobicContact CG-CB 4.01Å
1176G78.3Confident86Confident28 Ų2852.4 Ų52.429%0.28929%0.288SS..SBendtrans78.5163.1-17500000113.4R1164 D1178 V1179R1164-G1176 PolarHBondContact NH1-O 3.04Å; R1164-G1176 VanDerWaalsContact NH2-C 3.35Å; R1164-G1176 PolarHBondContact NH2-O 2.96Å; G1176-D1178 VanDerWaalsContact C-N 3.29Å; G1176-D1178 PolarHBondContact O-N 3.38Å; G1176-V1179 PolarHBondContact O-N 3.46Å
1177K70.8Confident86Confident188 Ų18859.4 Ų59.482%0.81733%0.325SS*.THydrogen-bonded Turntrans-61.3-41.7-178.5-75-176.7177.1178.30111.5V1179K1177-V1179 VanDerWaalsContact C-N 3.29Å; K1177-V1179 PolarHBondContact O-N 3.49Å
1178D75.5Confident85.9Confident138 Ų13860.4 Ų60.474%0.73835%0.345SS*.THydrogen-bonded Turntrans-91.311.8-172.9-37.3-75.4000113G1176 S1180G1176-D1178 VanDerWaalsContact C-N 3.29Å; G1176-D1178 PolarHBondContact O-N 3.38Å; D1178-S1180 PolarHBondContact O-N 2.87Å; D1178-S1180 VanDerWaalsContact O-N 3.16Å
1179V77.2Confident86Confident60 Ų6067.6 Ų67.636%0.36437%0.366SS..SBendtrans56.833.2175.2-162.90000112.2N1171 K1174 G1176 K1177N1171-V1179 HydrophobicContact CB-CG1 4.2Å; N1171-V1179 WeakPolarHBondContact O-CG1 3.44Å; K1174-V1179 HydrophobicContact CB-CG1 3.81Å; K1174-V1179 WeakPolarHBondContact CB-O 3.46Å; K1174-V1179 HydrophobicContact CD-CG1 4.44Å; K1174-V1179 WeakPolarHBondContact CD-O 3.29Å; G1176-V1179 PolarHBondContact O-N 3.46Å; K1177-V1179 VanDerWaalsContact C-N 3.29Å; K1177-V1179 PolarHBondContact O-N 3.49Å
1180S80.3Confident86.2Confident79 Ų7967.9 Ų67.955%0.55236%0.364SS*.  trans-99.9-35.8-173.951.40000113.7Q1175 D1178 L1182Q1175-S1180 PolarHBondContact O-N 3.48Å; D1178-S1180 PolarHBondContact O-N 2.87Å; D1178-S1180 VanDerWaalsContact O-N 3.16Å; S1180-L1182 PolarHBondContact O-N 3.39Å
1181L85.3Confident86.5Confident55 Ų5567.5 Ų67.529%0.28836%0.36SS..BIsolated β-bridgetrans-75.4121.8-170.5-166.180000111.2R1159 K1174 Q1175R1159-L1181 VanDerWaalsContact NH1-CD1 3.27Å; K1174-L1181 CarbonylContact C-O 3.59Å; K1174-L1181 WeakPolarHBondContact CA-O 3.42Å; Q1175-L1181 HydrophobicContact CB-CB 4.32Å; Q1175-L1181 HydrophobicContact CB-CD2 4.28Å; Q1175-L1181 PolarHBondContact N-O 2.99Å; Q1175-L1181 PolarHBondContact O-N 3.22Å
1182L91.1Very high86.7Confident34 Ų3465.8 Ų65.818%0.17835%0.35CS..  trans-78.9143.1168.4-46.6-173.5000109.9R1159 K1174 S1180 V1184 E1190 D1191 I1192R1159-L1182 VanDerWaalsContact CD-O 3.27Å; R1159-L1182 WeakPolarHBondContact CD-O 3.46Å; R1159-L1182 PolarHBondContact NH1-O 3.45Å; K1174-L1182 HydrophobicContact CD-CD2 4.1Å; K1174-L1182 HydrophobicContact CG-CD2 3.84Å; S1180-L1182 PolarHBondContact O-N 3.39Å; L1182-V1184 PolarHBondContact O-N 3.15Å; L1182-E1190 HydrophobicContact CB-CB 4.07Å; L1182-E1190 HydrophobicContact CD1-CB 3.9Å; L1182-E1190 HydrophobicContact CG-CB 4.14Å; L1182-E1190 PolarHBondContact N-OE2 3.1Å; L1182-D1191 WeakPolarHBondContact CB-O 3.42Å; L1182-I1192 HydrophobicContact CD1-CG2 4.18Å; L1182-I1192 HydrophobicContact CD2-CG2 3.93Å; L1182-I1192 HydrophobicContact CG-CG2 4.49Å
1183P92.2Very high87.1Confident0 Ų064.9 Ų64.90%034%0.344CS..SBendtrans-78.4-13.1-168.329.9-35.9000115.3L1148 R1159 V1160 V1163 L1173 Q1175 L1193L1148-P1183 HydrophobicContact CD2-CB 4.16Å; R1159-P1183 WeakPolarHBondContact CB-O 3.4Å; R1159-P1183 PolarHBondContact N-O 3.3Å; V1160-P1183 HydrophobicContact CG2-CB 4.24Å; V1163-P1183 HydrophobicContact CG1-CB 4.27Å; L1173-P1183 WeakPolarHBondContact O-CD 3.43Å; L1173-P1183 WeakPolarHBondContact O-CG 3.43Å; Q1175-P1183 HydrophobicContact CG-CB 4.01Å; P1183-L1193 HydrophobicContact CG-CD1 4.28Å; P1183-L1193 HydrophobicContact CG-CG 3.91Å
1184V95.1Very high87.5Confident0 Ų069.4 Ų69.40%036%0.361CS..EExtended strand (participates in β ladder)trans-123.3147-173.9179.80000110.7L1152 R1156 E1157 L1182 D1191 L1193L1152-V1184 HydrophobicContact CD1-CG1 4.03Å; L1152-V1184 HydrophobicContact CD1-CG2 4.03Å; L1152-V1184 HydrophobicContact CD2-CG2 3.72Å; R1156-V1184 HydrophobicContact CB-CG1 3.85Å; R1156-V1184 HydrophobicContact CG-CG1 4.4Å; E1157-V1184 CarbonylContact O-C 3.56Å; E1157-V1184 WeakPolarHBondContact O-CA 3.44Å; L1182-V1184 PolarHBondContact O-N 3.15Å; V1184-D1191 PolarHBondContact N-O 2.94Å; V1184-D1191 PolarHBondContact O-N 2.96Å; V1184-L1193 HydrophobicContact CG2-CD2 3.7Å; V1184-L1193 HydrophobicContact CG2-CG 4.45Å
1185M93.1Very high87.8Confident39 Ų3966.9 Ų66.919%0.19235%0.35CS..EExtended strand (participates in β ladder)trans-106.5143.6161.4-62.9-60.5-69.600110.2R1156 E1157 R1159 G1188 R1189 E1190R1156-M1185 WeakPolarHBondContact CA-O 3.16Å; E1157-M1185 HydrophobicContact CB-CB 4.34Å; E1157-M1185 PolarHBondContact N-O 2.91Å; E1157-M1185 PolarHBondContact O-N 3.21Å; R1159-M1185 VanDerWaalsContact CD-SD 3.59Å; R1159-M1185 HydrophobicContact CG-CG 3.62Å; R1159-M1185 HydrophobicContact CG-SD 4.29Å; M1185-G1188 WeakPolarHBondContact CE-O 3.39Å; M1185-R1189 CarbonylContact C-O 3.54Å; M1185-R1189 VanDerWaalsContact CA-O 3.3Å; M1185-R1189 WeakPolarHBondContact CA-O 3.27Å; M1185-E1190 HydrophobicContact SD-CB 4.45Å; M1185-E1190 HydrophobicContact SD-CG 3.97Å
1186Q92.1Very high88.3Confident56 Ų5667.3 Ų67.326%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-138.4122.4166.2-171.6169.7-3.400109.1R1156 G1188 R1189R1156-Q1186 HydrophobicContact CG-CB 4.16Å; R1156-Q1186 HydrophobicContact CG-CG 3.98Å; Q1186-G1188 PolarHBondContact O-N 2.93Å; Q1186-R1189 PolarHBondContact N-O 3.46Å; Q1186-R1189 PolarHBondContact O-N 3.27Å
1187N88.4Confident89.1Confident149 Ų14966 Ų6680%0.79734%0.339SS*.THydrogen-bonded Turntrans4942.6-179.6-59.2-17.9000113.7R1189N1187-R1189 VanDerWaalsContact C-N 3.28Å; N1187-R1189 PolarHBondContact O-N 2.82Å
1188G85.7Confident90.3Very high68 Ų6857 Ų5770%0.70130%0.301SS*.THydrogen-bonded Turntrans75.55.2-179.100000115.8M1185 Q1186M1185-G1188 WeakPolarHBondContact CE-O 3.39Å; Q1186-G1188 PolarHBondContact O-N 2.93Å
1189R90.8Very high91.3Very high203 Ų20350.4 Ų50.477%0.76627%0.265SS*.EExtended strand (participates in β ladder)trans-108148174-60.5-177.5179.5-173.2-1.1111M1185 Q1186 N1187M1185-R1189 CarbonylContact C-O 3.54Å; M1185-R1189 VanDerWaalsContact CA-O 3.3Å; M1185-R1189 WeakPolarHBondContact CA-O 3.27Å; Q1186-R1189 PolarHBondContact N-O 3.46Å; Q1186-R1189 PolarHBondContact O-N 3.27Å; N1187-R1189 VanDerWaalsContact C-N 3.28Å; N1187-R1189 PolarHBondContact O-N 2.82Å
1190E92.4Very high92.2Very high90 Ų9050.5 Ų50.542%0.42126%0.261SS..EExtended strand (participates in β ladder)trans-75.6139.5173.6-51-154.8173.800111.2R1159 L1182 M1185R1159-E1190 IonicContact CZ-OE1 3.81Å; R1159-E1190 VanDerWaalsContact CZ-OE1 3.26Å; R1159-E1190 IonicContact CZ-OE2 3.07Å; R1159-E1190 IonicContact NH1-OE1 3.16Å; R1159-E1190 PolarHBondContact NH1-OE1 3.25Å; R1159-E1190 IonicContact NH1-OE2 2.73Å; R1159-E1190 PolarHBondContact NH1-OE2 2.99Å; R1159-E1190 IonicContact NH2-OE1 3.41Å; R1159-E1190 PolarHBondContact NH2-OE1 3.38Å; R1159-E1190 IonicContact NH2-OE2 3.1Å; L1182-E1190 HydrophobicContact CB-CB 4.07Å; L1182-E1190 HydrophobicContact CD1-CB 3.9Å; L1182-E1190 HydrophobicContact CG-CB 4.14Å; L1182-E1190 PolarHBondContact N-OE2 3.1Å; M1185-E1190 HydrophobicContact SD-CB 4.45Å; M1185-E1190 HydrophobicContact SD-CG 3.97Å
1191D92.7Very high92.9Very high45 Ų4546.8 Ų46.824%0.24124%0.235CC..EExtended strand (participates in β ladder)trans-142.5159.8173.9-168.928000113.1R1156 L1182 V1184 W1194R1156-D1191 IonicContact CZ-OD2 3.22Å; R1156-D1191 IonicContact NH1-OD2 2.71Å; R1156-D1191 PolarHBondContact NH1-OD2 3.36Å; R1156-D1191 IonicContact NH2-OD2 3.75Å; R1156-D1191 PolarHBondContact NH2-OD2 3.47Å; L1182-D1191 WeakPolarHBondContact CB-O 3.42Å; V1184-D1191 PolarHBondContact N-O 2.94Å; V1184-D1191 PolarHBondContact O-N 2.96Å; D1191-W1194 PolarHBondContact OD2-NE1 3.23Å
1192I91.8Very high93.4Very high49 Ų4944.4 Ų44.425%0.25122%0.222SC..PPolyproline II helixtrans-84.7160.5172.961.2-175.4000111.7R1156 L1182R1156-I1192 PolarHBondContact NH2-O 3.1Å; L1182-I1192 HydrophobicContact CD1-CG2 4.18Å; L1182-I1192 HydrophobicContact CD2-CG2 3.93Å; L1182-I1192 HydrophobicContact CG-CG2 4.49Å
1193L94.5Very high93.6Very high0 Ų043.9 Ų43.90%023%0.225CC..PPolyproline II helixtrans-62.4135.9173.3-66.3166.8000111.4L1148 L1152 V1163 P1183 V1184 E1197 L1198 I1201 R1216L1148-L1193 HydrophobicContact CD1-CD1 4.39Å; L1148-L1193 HydrophobicContact CD1-CD2 3.94Å; L1148-L1193 HydrophobicContact CD2-CD2 4.44Å; L1148-L1193 HydrophobicContact CG-CD2 4.49Å; L1152-L1193 HydrophobicContact CD2-CD2 3.68Å; V1163-L1193 HydrophobicContact CG1-CD1 4.38Å; P1183-L1193 HydrophobicContact CG-CD1 4.28Å; P1183-L1193 HydrophobicContact CG-CG 3.91Å; V1184-L1193 HydrophobicContact CG2-CD2 3.7Å; V1184-L1193 HydrophobicContact CG2-CG 4.45Å; L1193-E1197 WeakPolarHBondContact CA-OE2 3.47Å; L1193-E1197 HydrophobicContact CD2-CB 4.27Å; L1193-L1198 HydrophobicContact CB-CD2 3.88Å; L1193-L1198 HydrophobicContact CB-CG 4.02Å; L1193-L1198 HydrophobicContact CD1-CD2 3.76Å; L1193-L1198 HydrophobicContact CG-CD2 4.47Å; L1193-I1201 HydrophobicContact CD1-CD1 3.71Å; L1193-I1201 HydrophobicContact CD2-CD1 4.02Å; L1193-I1201 HydrophobicContact CG-CD1 4.43Å; L1193-R1216 PolarHBondContact O-NH2 3.14Å
1194W95.1Very high93.8Very high99 Ų9944.2 Ų44.238%0.37523%0.226SC..PPolyproline II helixtrans-79.2162.4172.5-61.3-4.8000110.8E1153 R1156 D1191 T1196 E1197 L1198E1153-W1194 HydrophobicContact CB-CE3 4.36Å; E1153-W1194 HydrophobicContact CB-CZ3 4.05Å; E1153-W1194 HydrophobicContact CG-CE3 3.86Å; E1153-W1194 HydrophobicContact CG-CZ3 3.97Å; R1156-W1194 VanDerWaalsContact CZ-NE1 3.35Å; R1156-W1194 VanDerWaalsContact NH1-CE2 3.33Å; R1156-W1194 VanDerWaalsContact NH2-CD1 3.34Å; D1191-W1194 PolarHBondContact OD2-NE1 3.23Å; W1194-T1196 VanDerWaalsContact C-N 3.31Å; W1194-T1196 PolarHBondContact O-N 3.12Å; W1194-E1197 HydrophobicContact CB-CG 4.1Å; W1194-E1197 PolarHBondContact N-OE2 3Å; W1194-E1197 WeakPolarHBondContact O-CB 3.49Å; W1194-E1197 PolarHBondContact O-N 2.91Å; W1194-E1197 VanDerWaalsContact O-N 3.14Å; W1194-L1198 WeakPolarHBondContact O-CG 3.41Å; W1194-L1198 PolarHBondContact O-N 3.35Å
1195I95.9Very high93.7Very high17 Ų1747.2 Ų47.29%0.08725%0.246CC..Hα-helixtrans-64.5-37.5-177-56.5-55.8000111.8E1197 L1198 E1199 R1216 R1219 Q1220 L1223I1195-E1197 VanDerWaalsContact C-N 3.26Å; I1195-E1197 PolarHBondContact O-N 3.46Å; I1195-L1198 HydrophobicContact CD1-CD1 4.06Å; I1195-L1198 CarbonylContact O-C 3.59Å; I1195-L1198 PolarHBondContact O-N 3.07Å; I1195-L1198 VanDerWaalsContact O-N 3.14Å; I1195-E1199 HydrophobicContact CG2-CG 4.29Å; I1195-E1199 WeakPolarHBondContact O-CG 3.33Å; I1195-E1199 PolarHBondContact O-N 3.02Å; I1195-R1216 HydrophobicContact CD1-CG 3.68Å; I1195-R1216 HydrophobicContact CG1-CG 3.88Å; I1195-R1219 HydrophobicContact CD1-CB 4.27Å; I1195-R1219 HydrophobicContact CG1-CB 4.28Å; I1195-R1219 HydrophobicContact CG2-CB 3.93Å; I1195-Q1220 HydrophobicContact CD1-CB 4.34Å; I1195-L1223 HydrophobicContact CG2-CD1 3.94Å
1196T95.3Very high93.8Very high16 Ų1649.8 Ų49.810%0.09826%0.256CS..Hα-helixtrans-64.2-30.9175.254.20000113.1E1153 W1194 E1199 K1200 K1206E1153-T1196 PolarHBondContact OE1-OG1 2.88Å; W1194-T1196 VanDerWaalsContact C-N 3.31Å; W1194-T1196 PolarHBondContact O-N 3.12Å; T1196-E1199 WeakPolarHBondContact CA-OE2 3.49Å; T1196-K1200 WeakPolarHBondContact O-CD 3.46Å; T1196-K1200 VanDerWaalsContact O-CG 3.32Å; T1196-K1200 WeakPolarHBondContact O-CG 3.34Å; T1196-K1200 PolarHBondContact O-N 3.33Å; T1196-K1206 HydrophobicContact CG2-CD 4.31Å; T1196-K1206 HydrophobicContact CG2-CG 3.72Å
1197E96.1Very high93.9Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-73-41.7173.2-57177143.600109.9L1152 E1153 R1156 L1193 W1194 I1195 K1200 I1201L1152-E1197 WeakPolarHBondContact CA-OE1 3.46Å; L1152-E1197 HydrophobicContact CD2-CG 4.39Å; L1152-E1197 WeakPolarHBondContact CD2-OE1 3.21Å; E1153-E1197 HydrophobicContact CG-CG 4.23Å; E1153-E1197 PolarHBondContact N-OE1 3.34Å; R1156-E1197 IonicContact CZ-OE1 3.84Å; R1156-E1197 IonicContact CZ-OE2 2.73Å; R1156-E1197 IonicContact NE-OE1 3.2Å; R1156-E1197 PolarHBondContact NE-OE1 3Å; R1156-E1197 IonicContact NE-OE2 3.9Å; R1156-E1197 IonicContact NH2-OE1 2.84Å; R1156-E1197 IonicContact NH2-OE2 3.16Å; R1156-E1197 PolarHBondContact NH2-OE2 3.46Å; L1193-E1197 WeakPolarHBondContact CA-OE2 3.47Å; L1193-E1197 HydrophobicContact CD2-CB 4.27Å; W1194-E1197 HydrophobicContact CB-CG 4.1Å; W1194-E1197 PolarHBondContact N-OE2 3Å; W1194-E1197 WeakPolarHBondContact O-CB 3.49Å; W1194-E1197 PolarHBondContact O-N 2.91Å; W1194-E1197 VanDerWaalsContact O-N 3.14Å; I1195-E1197 VanDerWaalsContact C-N 3.26Å; I1195-E1197 PolarHBondContact O-N 3.46Å; E1197-K1200 PolarHBondContact O-N 3Å; E1197-I1201 WeakPolarHBondContact O-CB 3.47Å; E1197-I1201 VanDerWaalsContact O-CD1 3.3Å; E1197-I1201 WeakPolarHBondContact O-CD1 3.5Å; E1197-I1201 WeakPolarHBondContact O-CG1 3.33Å; E1197-I1201 PolarHBondContact O-N 2.84Å
1198L96Very high94.3Very high0 Ų044.8 Ų44.80%023%0.227CC..Hα-helixtrans-64.8-38.1174.9-65.8173.6000113.1I1166 L1173 L1193 W1194 I1195 I1201 F1202 Q1220 L1223I1166-L1198 HydrophobicContact CD1-CD2 3.67Å; I1166-L1198 HydrophobicContact CG1-CD2 4.33Å; I1166-L1198 HydrophobicContact CG2-CD2 4.31Å; L1173-L1198 HydrophobicContact CD1-CD1 4.46Å; L1173-L1198 HydrophobicContact CD2-CD1 4.19Å; L1173-L1198 HydrophobicContact CD2-CD2 3.82Å; L1193-L1198 HydrophobicContact CB-CD2 3.88Å; L1193-L1198 HydrophobicContact CB-CG 4.02Å; L1193-L1198 HydrophobicContact CD1-CD2 3.76Å; L1193-L1198 HydrophobicContact CG-CD2 4.47Å; W1194-L1198 WeakPolarHBondContact O-CG 3.41Å; W1194-L1198 PolarHBondContact O-N 3.35Å; I1195-L1198 HydrophobicContact CD1-CD1 4.06Å; I1195-L1198 CarbonylContact O-C 3.59Å; I1195-L1198 PolarHBondContact O-N 3.07Å; I1195-L1198 VanDerWaalsContact O-N 3.14Å; L1198-I1201 HydrophobicContact CD2-CD1 4.43Å; L1198-I1201 PolarHBondContact O-N 3.16Å; L1198-F1202 VanDerWaalsContact O-CD2 3.31Å; L1198-F1202 WeakPolarHBondContact O-CD2 3.47Å; L1198-F1202 PolarHBondContact O-N 3.49Å; L1198-F1202 VanDerWaalsContact O-N 3.11Å; L1198-Q1220 HydrophobicContact CD1-CG 4.25Å; L1198-L1223 HydrophobicContact CB-CD1 3.8Å
1199E96.9Very high94.8Very high0 Ų041.6 Ų41.60%019%0.194CC..Hα-helixtrans-58.5-53.6173.7-74.4162.7166.700110I1195 T1196 I1201 F1202 G1203 F1204 H1207 Y1208 T1209 R1219 L1223I1195-E1199 HydrophobicContact CG2-CG 4.29Å; I1195-E1199 WeakPolarHBondContact O-CG 3.33Å; I1195-E1199 PolarHBondContact O-N 3.02Å; T1196-E1199 WeakPolarHBondContact CA-OE2 3.49Å; E1199-I1201 PolarHBondContact O-N 3.17Å; E1199-F1202 PolarHBondContact O-N 3.05Å; E1199-F1202 VanDerWaalsContact O-N 3.16Å; E1199-G1203 PolarHBondContact O-N 3.01Å; E1199-G1203 VanDerWaalsContact O-N 3.09Å; E1199-F1204 CarbonylContact C-O 3.58Å; E1199-F1204 HydrophobicContact CB-CB 4.21Å; E1199-F1204 PolarHBondContact O-N 3.06Å; E1199-H1207 WeakPolarHBondContact OE2-CA 3.43Å; E1199-H1207 PolarHBondContact OE2-N 2.82Å; E1199-Y1208 PolarHBondContact OE1-N 3.39Å; E1199-T1209 WeakPolarHBondContact OE1-CB 3.37Å; E1199-T1209 PolarHBondContact OE1-N 3.38Å; E1199-T1209 PolarHBondContact OE1-OG1 2.87Å; E1199-R1219 IonicContact OE1-CZ 2.75Å; E1199-R1219 IonicContact OE1-NH2 3.21Å; E1199-R1219 PolarHBondContact OE1-NH2 3.49Å; E1199-R1219 IonicContact OE2-NH2 2.74Å; E1199-L1223 HydrophobicContact CG-CD1 3.99Å; E1199-L1223 HydrophobicContact CG-CD2 4.11Å
1200K95.3Very high95Very high61 Ų6136 Ų3627%0.26518%0.18SC..Hα-helixtrans-55.9-44174-70.3164.4171.2170.80113C1151 L1152 E1153 T1196 E1197 F1202 G1203C1151-K1200 HydrophobicContact CB-CB 4.07Å; C1151-K1200 HydrophobicContact CB-CD 4.48Å; C1151-K1200 WeakPolarHBondContact O-CD 3.29Å; C1151-K1200 PolarHBondContact O-NZ 3.37Å; C1151-K1200 VanDerWaalsContact O-NZ 3.09Å; L1152-K1200 PolarHBondContact O-NZ 2.89Å; E1153-K1200 VanDerWaalsContact CD-NZ 3.32Å; E1153-K1200 IonicContact OE1-NZ 3.81Å; E1153-K1200 PolarHBondContact OE1-NZ 3.12Å; E1153-K1200 IonicContact OE2-NZ 3.67Å; T1196-K1200 WeakPolarHBondContact O-CD 3.46Å; T1196-K1200 VanDerWaalsContact O-CG 3.32Å; T1196-K1200 WeakPolarHBondContact O-CG 3.34Å; T1196-K1200 PolarHBondContact O-N 3.33Å; E1197-K1200 PolarHBondContact O-N 3Å; K1200-F1202 PolarHBondContact O-N 3.49Å; K1200-G1203 PolarHBondContact O-N 3.35Å
1201I95.6Very high94.9Very high1 Ų132 Ų321%0.00516%0.162CC..Hα-helixtrans-62.5-31-179.7-72.4163.6000112.2S1119 P1120 A1121 L1148 C1151 I1166 L1193 E1197 L1198 E1199S1119-I1201 WeakPolarHBondContact CB-O 3.24Å; P1120-I1201 HydrophobicContact CG-CB 4.19Å; P1120-I1201 HydrophobicContact CG-CG1 3.73Å; P1120-I1201 HydrophobicContact CG-CG2 4Å; A1121-I1201 HydrophobicContact CB-CG2 3.63Å; L1148-I1201 HydrophobicContact CD1-CD1 3.52Å; L1148-I1201 HydrophobicContact CD1-CG1 4.16Å; C1151-I1201 HydrophobicContact CB-CD1 4.48Å; C1151-I1201 HydrophobicContact CB-CG1 3.75Å; I1166-I1201 HydrophobicContact CD1-CG2 3.82Å; L1193-I1201 HydrophobicContact CD1-CD1 3.71Å; L1193-I1201 HydrophobicContact CD2-CD1 4.02Å; L1193-I1201 HydrophobicContact CG-CD1 4.43Å; E1197-I1201 WeakPolarHBondContact O-CB 3.47Å; E1197-I1201 VanDerWaalsContact O-CD1 3.3Å; E1197-I1201 WeakPolarHBondContact O-CD1 3.5Å; E1197-I1201 WeakPolarHBondContact O-CG1 3.33Å; E1197-I1201 PolarHBondContact O-N 2.84Å; L1198-I1201 HydrophobicContact CD2-CD1 4.43Å; L1198-I1201 PolarHBondContact O-N 3.16Å; E1199-I1201 PolarHBondContact O-N 3.17Å
1202F95.8Very high94.7Very high5 Ų537 Ų372%0.02218%0.177CC..Hα-helixtrans-86.3-13.3174.7-85.3-114.8000113.2R1123 I1166 L1198 E1199 K1200 F1204 L1223 S1228 V1229R1123-F1202 VanDerWaalsContact CZ-CE1 3.41Å; I1166-F1202 HydrophobicContact CB-CE2 3.94Å; I1166-F1202 HydrophobicContact CB-CZ 4.14Å; I1166-F1202 HydrophobicContact CD1-CE2 3.9Å; I1166-F1202 HydrophobicContact CG2-CE2 3.9Å; I1166-F1202 HydrophobicContact CG2-CZ 4.11Å; L1198-F1202 VanDerWaalsContact O-CD2 3.31Å; L1198-F1202 WeakPolarHBondContact O-CD2 3.47Å; L1198-F1202 PolarHBondContact O-N 3.49Å; L1198-F1202 VanDerWaalsContact O-N 3.11Å; E1199-F1202 PolarHBondContact O-N 3.05Å; E1199-F1202 VanDerWaalsContact O-N 3.16Å; K1200-F1202 PolarHBondContact O-N 3.49Å; F1202-F1204 HydrophobicContact CB-CD2 3.58Å; F1202-F1204 HydrophobicContact CB-CE2 3.81Å; F1202-F1204 HydrophobicContact CD1-CE2 4.35Å; F1202-L1223 WeakPolarHBondContact CE1-O 3.43Å; F1202-L1223 VanDerWaalsContact CZ-O 3.31Å; F1202-L1223 WeakPolarHBondContact CZ-O 3.2Å; F1202-S1228 WeakPolarHBondContact O-CA 3.27Å; F1202-S1228 PolarHBondContact O-OG 2.96Å; F1202-V1229 PolarHBondContact O-N 3.04Å
1203G94.6Very high94.6Very high23 Ų2342.8 Ų42.824%0.23721%0.209CC..THydrogen-bonded Turntrans91.612.3-176.800000114.6E1199 K1200 V1229E1199-G1203 PolarHBondContact O-N 3.01Å; E1199-G1203 VanDerWaalsContact O-N 3.09Å; K1200-G1203 PolarHBondContact O-N 3.35Å; G1203-V1229 WeakPolarHBondContact O-CB 3.42Å; G1203-V1229 WeakPolarHBondContact O-CG2 3.4Å
1204F96.1Very high94.6Very high8 Ų843.4 Ų43.44%0.03521%0.212CC..PPolyproline II helixtrans-80153.5175.1-70.2-81000111.8I976 T978 L981 E1199 F1202 Y1208 L1223 A1226 V1229I976-F1204 HydrophobicContact CD1-CE1 3.95Å; I976-F1204 HydrophobicContact CD1-CE2 4.08Å; I976-F1204 HydrophobicContact CD1-CZ 3.68Å; I976-F1204 HydrophobicContact CG1-CE1 4.26Å; I976-F1204 HydrophobicContact CG1-CZ 4.11Å; T978-F1204 HydrophobicContact CG2-CE1 3.9Å; T978-F1204 HydrophobicContact CG2-CZ 3.64Å; L981-F1204 HydrophobicContact CD2-CD1 3.49Å; L981-F1204 VanDerWaalsContact CD2-CD1 3.49Å; L981-F1204 HydrophobicContact CD2-CE1 3.79Å; E1199-F1204 CarbonylContact C-O 3.58Å; E1199-F1204 HydrophobicContact CB-CB 4.21Å; E1199-F1204 PolarHBondContact O-N 3.06Å; F1202-F1204 HydrophobicContact CB-CD2 3.58Å; F1202-F1204 HydrophobicContact CB-CE2 3.81Å; F1202-F1204 HydrophobicContact CD1-CE2 4.35Å; F1204-Y1208 HydrophobicContact CB-CD1 4.38Å; F1204-Y1208 HydrophobicContact CB-CG 4.2Å; F1204-Y1208 AromaticContact CD1-CD1 3.43Å; F1204-Y1208 HydrophobicContact CD1-CD1 3.43Å; F1204-Y1208 VanDerWaalsContact CD1-CD1 3.43Å; F1204-Y1208 HydrophobicContact CD1-CD2 4.27Å; F1204-Y1208 AromaticContact CD1-CE1 3.54Å; F1204-Y1208 HydrophobicContact CD1-CE1 3.54Å; F1204-Y1208 HydrophobicContact CD1-CE2 4.35Å; F1204-Y1208 AromaticContact CD1-CG 3.82Å; F1204-Y1208 HydrophobicContact CD1-CG 3.82Å; F1204-Y1208 AromaticContact CE1-CD1 3.95Å; F1204-Y1208 HydrophobicContact CE1-CD1 3.95Å; F1204-Y1208 AromaticContact CE1-CE1 3.62Å; F1204-Y1208 HydrophobicContact CE1-CE1 3.62Å; F1204-Y1208 HydrophobicContact CG-CD1 4.06Å; F1204-Y1208 HydrophobicContact CG-CG 4.34Å; F1204-L1223 HydrophobicContact CD2-CD2 3.91Å; F1204-L1223 HydrophobicContact CE2-CD2 4.19Å; F1204-A1226 HydrophobicContact CE2-CB 4.03Å; F1204-A1226 HydrophobicContact CZ-CB 3.97Å; F1204-V1229 HydrophobicContact CD1-CG2 3.78Å; F1204-V1229 HydrophobicContact CD2-CG2 4.01Å; F1204-V1229 HydrophobicContact CE1-CG2 3.77Å; F1204-V1229 HydrophobicContact CE2-CG2 3.99Å; F1204-V1229 HydrophobicContact CG-CG2 3.88Å; F1204-V1229 HydrophobicContact CZ-CG2 3.87Å
1205P94.5Very high94.5Very high62 Ų6242.8 Ų42.840%0.40322%0.216SC..PPolyproline II helixtrans-52.1147.7164.6-26.435000112.6L981 H1207 Y1208L981-P1205 HydrophobicContact CD1-CG 4.48Å; P1205-H1207 PolarHBondContact O-N 3.39Å; P1205-Y1208 HydrophobicContact CG-CD2 4.24Å; P1205-Y1208 WeakPolarHBondContact O-CB 3.48Å; P1205-Y1208 PolarHBondContact O-N 3.06Å; P1205-Y1208 VanDerWaalsContact O-N 3.14Å
1206K93.4Very high94.4Very high94 Ų9445.9 Ų45.941%0.40923%0.227SC..THydrogen-bonded Turntrans-63.6134.1174.2-163.1-177.7169.8171.40109.3E1153 T1196 Y1208E1153-K1206 VanDerWaalsContact OE1-CE 3.28Å; E1153-K1206 WeakPolarHBondContact OE1-CE 3.33Å; E1153-K1206 IonicContact OE1-NZ 3.44Å; E1153-K1206 PolarHBondContact OE1-NZ 2.89Å; E1153-K1206 VanDerWaalsContact OE1-NZ 3.11Å; E1153-K1206 IonicContact OE2-NZ 3.51Å; E1153-K1206 PolarHBondContact OE2-NZ 3.41Å; T1196-K1206 HydrophobicContact CG2-CD 4.31Å; T1196-K1206 HydrophobicContact CG2-CG 3.72Å; K1206-Y1208 VanDerWaalsContact C-N 3.32Å
1207H95.6Very high94.2Very high98 Ų9850.1 Ų50.145%0.45425%0.245SC..THydrogen-bonded Turntrans70.413.4-172.8-55.3-84.6000115.8E1199 P1205 T1209 D1210E1199-H1207 WeakPolarHBondContact OE2-CA 3.43Å; E1199-H1207 PolarHBondContact OE2-N 2.82Å; P1205-H1207 PolarHBondContact O-N 3.39Å; H1207-T1209 PolarHBondContact O-N 3.46Å; H1207-T1209 VanDerWaalsContact O-N 3.15Å; H1207-D1210 HydrophobicContact CB-CB 3.94Å; H1207-D1210 IonicContact CE1-OD2 3.32Å; H1207-D1210 IonicContact CG-OD2 2.92Å; H1207-D1210 IonicContact ND1-OD2 3.28Å; H1207-D1210 PolarHBondContact ND1-OD2 2.88Å; H1207-D1210 VanDerWaalsContact O-CB 3.26Å; H1207-D1210 WeakPolarHBondContact O-CB 3.36Å; H1207-D1210 PolarHBondContact O-N 2.66Å
1208Y96.7Very high94.1Very high2 Ų252.8 Ų52.81%0.00826%0.258CS..THydrogen-bonded Turntrans-56.1-33.8178.1-173.2-95.4000113.7I976 L981 V1005 N1009 H1010 E1199 F1204 P1205 K1206I976-Y1208 HydrophobicContact CB-CE1 4.1Å; I976-Y1208 HydrophobicContact CD1-CD1 4.2Å; I976-Y1208 HydrophobicContact CD1-CE1 3.98Å; I976-Y1208 HydrophobicContact CG1-CE1 4.07Å; I976-Y1208 VanDerWaalsContact O-CE1 3.31Å; I976-Y1208 WeakPolarHBondContact O-CE1 3.23Å; I976-Y1208 PolarHBondContact O-OH 3.02Å; L981-Y1208 HydrophobicContact CD1-CE2 4.3Å; L981-Y1208 HydrophobicContact CD2-CD2 4.43Å; L981-Y1208 HydrophobicContact CD2-CE2 3.89Å; V1005-Y1208 HydrophobicContact CG1-CD1 4.05Å; V1005-Y1208 HydrophobicContact CG1-CE1 3.84Å; V1005-Y1208 WeakPolarHBondContact CG1-O 3.3Å; N1009-Y1208 HydrophobicContact CB-CD2 4.09Å; N1009-Y1208 HydrophobicContact CB-CE2 3.6Å; N1009-Y1208 VanDerWaalsContact CG-CD2 3.48Å; N1009-Y1208 VanDerWaalsContact CG-CE2 3.5Å; N1009-Y1208 PolarHBondContact ND2-O 3.17Å; N1009-Y1208 WeakPolarHBondContact OD1-CD2 3.41Å; H1010-Y1208 AromaticContact NE2-CZ 3.86Å; H1010-Y1208 PolarHBondContact NE2-OH 2.97Å; E1199-Y1208 PolarHBondContact OE1-N 3.39Å; F1204-Y1208 HydrophobicContact CB-CD1 4.38Å; F1204-Y1208 HydrophobicContact CB-CG 4.2Å; F1204-Y1208 AromaticContact CD1-CD1 3.43Å; F1204-Y1208 HydrophobicContact CD1-CD1 3.43Å; F1204-Y1208 VanDerWaalsContact CD1-CD1 3.43Å; F1204-Y1208 HydrophobicContact CD1-CD2 4.27Å; F1204-Y1208 AromaticContact CD1-CE1 3.54Å; F1204-Y1208 HydrophobicContact CD1-CE1 3.54Å; F1204-Y1208 HydrophobicContact CD1-CE2 4.35Å; F1204-Y1208 AromaticContact CD1-CG 3.82Å; F1204-Y1208 HydrophobicContact CD1-CG 3.82Å; F1204-Y1208 AromaticContact CE1-CD1 3.95Å; F1204-Y1208 HydrophobicContact CE1-CD1 3.95Å; F1204-Y1208 AromaticContact CE1-CE1 3.62Å; F1204-Y1208 HydrophobicContact CE1-CE1 3.62Å; F1204-Y1208 HydrophobicContact CG-CD1 4.06Å; F1204-Y1208 HydrophobicContact CG-CG 4.34Å; P1205-Y1208 HydrophobicContact CG-CD2 4.24Å; P1205-Y1208 WeakPolarHBondContact O-CB 3.48Å; P1205-Y1208 PolarHBondContact O-N 3.06Å; P1205-Y1208 VanDerWaalsContact O-N 3.14Å; K1206-Y1208 VanDerWaalsContact C-N 3.32Å
1209T96.7Very high94.1Very high0 Ų053.9 Ų53.90%026%0.262CS..THydrogen-bonded Turntrans-9512.2178.565.70000114.4I976 E1199 H1207 A1211 M1214 R1219 L1223I976-T1209 HydrophobicContact CD1-CG2 4.11Å; E1199-T1209 WeakPolarHBondContact OE1-CB 3.37Å; E1199-T1209 PolarHBondContact OE1-N 3.38Å; E1199-T1209 PolarHBondContact OE1-OG1 2.87Å; H1207-T1209 PolarHBondContact O-N 3.46Å; H1207-T1209 VanDerWaalsContact O-N 3.15Å; T1209-A1211 VanDerWaalsContact C-N 3.3Å; T1209-A1211 PolarHBondContact O-N 3.29Å; T1209-M1214 WeakPolarHBondContact O-CE 3.26Å; T1209-R1219 WeakPolarHBondContact O-CD 3.31Å; T1209-R1219 WeakPolarHBondContact O-CG 3.28Å; T1209-R1219 PolarHBondContact O-NE 3.07Å; T1209-R1219 VanDerWaalsContact O-NE 3.08Å; T1209-R1219 PolarHBondContact OG1-NE 3.5Å; T1209-R1219 PolarHBondContact OG1-NH2 3.38Å; T1209-L1223 HydrophobicContact CG2-CD1 4.5Å; T1209-L1223 HydrophobicContact CG2-CD2 3.83Å; T1209-L1223 HydrophobicContact CG2-CG 3.98Å
1210D94.6Very high94Very high86 Ų8654 Ų5446%0.4626%0.262SS..  trans-8169-174.9-127.3-37.5000112.4H1207 R1219H1207-D1210 HydrophobicContact CB-CB 3.94Å; H1207-D1210 IonicContact CE1-OD2 3.32Å; H1207-D1210 IonicContact CG-OD2 2.92Å; H1207-D1210 IonicContact ND1-OD2 3.28Å; H1207-D1210 PolarHBondContact ND1-OD2 2.88Å; H1207-D1210 VanDerWaalsContact O-CB 3.26Å; H1207-D1210 WeakPolarHBondContact O-CB 3.36Å; H1207-D1210 PolarHBondContact O-N 2.66Å; D1210-R1219 VanDerWaalsContact CG-CZ 3.4Å; D1210-R1219 IonicContact OD1-CZ 4Å; D1210-R1219 IonicContact OD1-NH1 2.98Å; D1210-R1219 PolarHBondContact OD1-NH1 3.5Å; D1210-R1219 IonicContact OD2-CZ 2.8Å; D1210-R1219 VanDerWaalsContact OD2-CZ 3.28Å; D1210-R1219 IonicContact OD2-NH1 2.77Å; D1210-R1219 PolarHBondContact OD2-NH1 3.35Å; D1210-R1219 IonicContact OD2-NH2 3.82Å; D1210-R1219 PolarHBondContact OD2-NH2 3.21Å
1211A90.4Very high93.9Very high7 Ų755.7 Ų55.76%0.05827%0.27CS..  trans-129.1156.5-174.600000113.2V1005 I1008 T1209 N1213 M1214V1005-A1211 HydrophobicContact CG2-CB 3.85Å; I1008-A1211 HydrophobicContact CD1-CB 3.75Å; T1209-A1211 VanDerWaalsContact C-N 3.3Å; T1209-A1211 PolarHBondContact O-N 3.29Å; A1211-N1213 PolarHBondContact O-N 3.19Å; A1211-M1214 HydrophobicContact CB-CE 3.86Å; A1211-M1214 WeakPolarHBondContact O-CB 3.31Å; A1211-M1214 WeakPolarHBondContact O-CE 3.32Å; A1211-M1214 WeakPolarHBondContact O-CG 3.44Å; A1211-M1214 PolarHBondContact O-N 3.26Å
1212R87.1Confident93.9Very high148 Ų14856 Ų5656%0.55827%0.271SS*.THydrogen-bonded Turntrans5224.5168.5-93.5-169.3169.9-157.22.4116.4E1000 A1004 M1214E1000-R1212 IonicContact OE2-CZ 2.69Å; E1000-R1212 VanDerWaalsContact OE2-CZ 3.28Å; E1000-R1212 IonicContact OE2-NH1 3.84Å; E1000-R1212 PolarHBondContact OE2-NH1 3.02Å; E1000-R1212 IonicContact OE2-NH2 3.26Å; E1000-R1212 PolarHBondContact OE2-NH2 2.96Å; A1004-R1212 HydrophobicContact CB-CG 3.95Å; R1212-M1214 HydrophobicContact CB-CG 4.49Å; R1212-M1214 PolarHBondContact O-N 3.49Å
1213N90.2Very high93.9Very high172 Ų17255.8 Ų55.892%0.9227%0.271SS*.THydrogen-bonded Turntrans54.928.3-172-60.7-26.9000113.6A1211 N1215A1211-N1213 PolarHBondContact O-N 3.19Å; N1213-N1215 PolarHBondContact O-N 3.3Å
1214M93.9Very high93.8Very high13 Ų1355 Ų556%0.06426%0.263CS..  trans-58.1131.6179.2-79.6-170.4-78.900112D1001 V1005 T1209 A1211 R1212 Q1218 R1219 L1222D1001-M1214 HydrophobicContact CB-SD 3.64Å; D1001-M1214 VanDerWaalsContact CG-SD 3.56Å; V1005-M1214 HydrophobicContact CG2-CE 3.5Å; V1005-M1214 VanDerWaalsContact CG2-CE 3.5Å; T1209-M1214 WeakPolarHBondContact O-CE 3.26Å; A1211-M1214 HydrophobicContact CB-CE 3.86Å; A1211-M1214 WeakPolarHBondContact O-CB 3.31Å; A1211-M1214 WeakPolarHBondContact O-CE 3.32Å; A1211-M1214 WeakPolarHBondContact O-CG 3.44Å; A1211-M1214 PolarHBondContact O-N 3.26Å; R1212-M1214 HydrophobicContact CB-CG 4.49Å; R1212-M1214 PolarHBondContact O-N 3.49Å; M1214-Q1218 HydrophobicContact CB-CB 3.93Å; M1214-Q1218 HydrophobicContact CG-CB 4.08Å; M1214-Q1218 HydrophobicContact SD-CB 4.07Å; M1214-R1219 HydrophobicContact CB-CG 3.87Å; M1214-R1219 HydrophobicContact CE-CG 4.34Å; M1214-L1222 HydrophobicContact CE-CD1 3.76Å; M1214-L1222 HydrophobicContact SD-CD1 3.66Å
1215N93.8Very high93.7Very high85 Ų8560.4 Ų60.446%0.45529%0.286SS..  trans-70.5164.9176.675.158.9000112.1N1213 Q1217 Q1218 R1219N1213-N1215 PolarHBondContact O-N 3.3Å; N1215-Q1217 PolarHBondContact O-N 2.89Å; N1215-Q1217 VanDerWaalsContact O-N 3.08Å; N1215-Q1217 WeakPolarHBondContact OD1-CA 3.48Å; N1215-Q1217 WeakPolarHBondContact OD1-CB 3.26Å; N1215-Q1217 PolarHBondContact OD1-N 3.44Å; N1215-Q1218 PolarHBondContact ND2-OE1 3.49Å; N1215-Q1218 WeakPolarHBondContact O-CB 3.34Å; N1215-Q1218 PolarHBondContact O-N 3.18Å; N1215-Q1218 PolarHBondContact OD1-N 2.91Å; N1215-Q1218 VanDerWaalsContact OD1-N 3.17Å; N1215-R1219 PolarHBondContact O-N 3.23Å; N1215-R1219 VanDerWaalsContact O-N 3.14Å
1216R92.9Very high93.7Very high82 Ų8257.9 Ų57.931%0.30927%0.27SS..Hα-helixtrans-50.1-37.9-179.2-169.1-169.1169.7-67.9-8113.3L1193 I1195 Q1220L1193-R1216 PolarHBondContact O-NH2 3.14Å; I1195-R1216 HydrophobicContact CD1-CG 3.68Å; I1195-R1216 HydrophobicContact CG1-CG 3.88Å; R1216-Q1220 WeakPolarHBondContact O-CB 3.3Å; R1216-Q1220 PolarHBondContact O-N 2.97Å
1217Q91.9Very high93.9Very high105 Ų10554.6 Ų54.649%0.49126%0.256SS..Hα-helixtrans-74.8-33.3180-58.1-171.510.400112.8N1215 K1221N1215-Q1217 PolarHBondContact O-N 2.89Å; N1215-Q1217 VanDerWaalsContact O-N 3.08Å; N1215-Q1217 WeakPolarHBondContact OD1-CA 3.48Å; N1215-Q1217 WeakPolarHBondContact OD1-CB 3.26Å; N1215-Q1217 PolarHBondContact OD1-N 3.44Å; Q1217-K1221 WeakPolarHBondContact O-CB 3.29Å; Q1217-K1221 VanDerWaalsContact O-CG 3.23Å; Q1217-K1221 WeakPolarHBondContact O-CG 3.37Å; Q1217-K1221 PolarHBondContact O-N 2.79Å
1218Q94.5Very high93.9Very high57 Ų5750.3 Ų50.327%0.26624%0.237SC..Hα-helixtrans-63.8-52.5173.1-73.3169.9-87.900110.4D1001 M1214 N1215 Q1220 K1221 L1222D1001-Q1218 PolarHBondContact OD2-NE2 3.42Å; M1214-Q1218 HydrophobicContact CB-CB 3.93Å; M1214-Q1218 HydrophobicContact CG-CB 4.08Å; M1214-Q1218 HydrophobicContact SD-CB 4.07Å; N1215-Q1218 PolarHBondContact ND2-OE1 3.49Å; N1215-Q1218 WeakPolarHBondContact O-CB 3.34Å; N1215-Q1218 PolarHBondContact O-N 3.18Å; N1215-Q1218 PolarHBondContact OD1-N 2.91Å; N1215-Q1218 VanDerWaalsContact OD1-N 3.17Å; Q1218-Q1220 VanDerWaalsContact C-N 3.32Å; Q1218-Q1220 PolarHBondContact O-N 3.07Å; Q1218-K1221 WeakPolarHBondContact O-CA 3.26Å; Q1218-K1221 WeakPolarHBondContact O-CB 3.39Å; Q1218-K1221 PolarHBondContact O-N 3.01Å; Q1218-L1222 PolarHBondContact O-N 3.31Å
1219R95.4Very high93.9Very high23 Ų2350.2 Ų50.29%0.08724%0.236CC..Hα-helixtrans-58.6-41.2177.9-66.2177.764.2-179.92.9112.2I1195 E1199 T1209 D1210 M1214 N1215 K1221 L1222 L1223I1195-R1219 HydrophobicContact CD1-CB 4.27Å; I1195-R1219 HydrophobicContact CG1-CB 4.28Å; I1195-R1219 HydrophobicContact CG2-CB 3.93Å; E1199-R1219 IonicContact OE1-CZ 2.75Å; E1199-R1219 IonicContact OE1-NH2 3.21Å; E1199-R1219 PolarHBondContact OE1-NH2 3.49Å; E1199-R1219 IonicContact OE2-NH2 2.74Å; T1209-R1219 WeakPolarHBondContact O-CD 3.31Å; T1209-R1219 WeakPolarHBondContact O-CG 3.28Å; T1209-R1219 PolarHBondContact O-NE 3.07Å; T1209-R1219 VanDerWaalsContact O-NE 3.08Å; T1209-R1219 PolarHBondContact OG1-NE 3.5Å; T1209-R1219 PolarHBondContact OG1-NH2 3.38Å; D1210-R1219 VanDerWaalsContact CG-CZ 3.4Å; D1210-R1219 IonicContact OD1-CZ 4Å; D1210-R1219 IonicContact OD1-NH1 2.98Å; D1210-R1219 PolarHBondContact OD1-NH1 3.5Å; D1210-R1219 IonicContact OD2-CZ 2.8Å; D1210-R1219 VanDerWaalsContact OD2-CZ 3.28Å; D1210-R1219 IonicContact OD2-NH1 2.77Å; D1210-R1219 PolarHBondContact OD2-NH1 3.35Å; D1210-R1219 IonicContact OD2-NH2 3.82Å; D1210-R1219 PolarHBondContact OD2-NH2 3.21Å; M1214-R1219 HydrophobicContact CB-CG 3.87Å; M1214-R1219 HydrophobicContact CE-CG 4.34Å; N1215-R1219 PolarHBondContact O-N 3.23Å; N1215-R1219 VanDerWaalsContact O-N 3.14Å; R1219-K1221 PolarHBondContact O-N 3.17Å; R1219-L1222 PolarHBondContact O-N 3.33Å; R1219-L1223 PolarHBondContact O-N 2.83Å; R1219-L1223 VanDerWaalsContact O-N 3.09Å
1220Q94.1Very high93.7Very high1 Ų150.6 Ų50.61%0.00524%0.239CC..Hα-helixtrans-62.2-39.3172.2-168-166.6-36.500112.6T1167 N1169 I1195 L1198 R1216 Q1218 L1222 G1224T1167-Q1220 PolarHBondContact O-NE2 2.68Å; N1169-Q1220 PolarHBondContact O-NE2 2.71Å; I1195-Q1220 HydrophobicContact CD1-CB 4.34Å; L1198-Q1220 HydrophobicContact CD1-CG 4.25Å; R1216-Q1220 WeakPolarHBondContact O-CB 3.3Å; R1216-Q1220 PolarHBondContact O-N 2.97Å; Q1218-Q1220 VanDerWaalsContact C-N 3.32Å; Q1218-Q1220 PolarHBondContact O-N 3.07Å; Q1220-L1222 VanDerWaalsContact C-N 3.34Å; Q1220-L1222 PolarHBondContact O-N 3.05Å; Q1220-G1224 PolarHBondContact O-N 3.44Å
1221K94.3Very high93.8Very high97 Ų9746.8 Ų46.842%0.42222%0.219SC..Hα-helixtrans-66.3-33.7177.2-75.2168.7-172.2176.70112.6T1168 Q1217 Q1218 R1219 K1225T1168-K1221 HydrophobicContact CG2-CB 4.48Å; Q1217-K1221 WeakPolarHBondContact O-CB 3.29Å; Q1217-K1221 VanDerWaalsContact O-CG 3.23Å; Q1217-K1221 WeakPolarHBondContact O-CG 3.37Å; Q1217-K1221 PolarHBondContact O-N 2.79Å; Q1218-K1221 WeakPolarHBondContact O-CA 3.26Å; Q1218-K1221 WeakPolarHBondContact O-CB 3.39Å; Q1218-K1221 PolarHBondContact O-N 3.01Å; R1219-K1221 PolarHBondContact O-N 3.17Å; K1221-K1225 WeakPolarHBondContact O-CG 3.29Å; K1221-K1225 PolarHBondContact O-N 3.03Å
1222L95.6Very high94.1Very high7 Ų746.5 Ų46.54%0.03722%0.216CC..Hα-helixtrans-66.4-55.4173-63.8-175.2000111.1I976 D1001 V1005 M1214 Q1218 R1219 Q1220 G1224 K1225 A1226I976-L1222 HydrophobicContact CG2-CB 3.91Å; I976-L1222 HydrophobicContact CG2-CD1 3.89Å; I976-L1222 HydrophobicContact CG2-CD2 4.35Å; I976-L1222 HydrophobicContact CG2-CG 4.28Å; D1001-L1222 HydrophobicContact CB-CD1 4.28Å; D1001-L1222 HydrophobicContact CB-CD2 4.15Å; V1005-L1222 HydrophobicContact CG2-CD1 3.84Å; M1214-L1222 HydrophobicContact CE-CD1 3.76Å; M1214-L1222 HydrophobicContact SD-CD1 3.66Å; Q1218-L1222 PolarHBondContact O-N 3.31Å; R1219-L1222 PolarHBondContact O-N 3.33Å; Q1220-L1222 VanDerWaalsContact C-N 3.34Å; Q1220-L1222 PolarHBondContact O-N 3.05Å; L1222-G1224 VanDerWaalsContact C-N 3.3Å; L1222-G1224 PolarHBondContact O-N 3.14Å; L1222-K1225 WeakPolarHBondContact O-CB 3.47Å; L1222-K1225 PolarHBondContact O-N 3Å; L1222-K1225 VanDerWaalsContact O-N 3.08Å; L1222-A1226 PolarHBondContact O-N 2.87Å
1223L95.3Very high94.4Very high1 Ų142.5 Ų42.51%0.00520%0.201CC..Hα-helixtrans-57.4-43.3177.7-67.7167.7000111.6I976 I1195 L1198 E1199 F1202 F1204 T1209 R1219 K1225 A1226I976-L1223 HydrophobicContact CD1-CD2 4.31Å; I1195-L1223 HydrophobicContact CG2-CD1 3.94Å; L1198-L1223 HydrophobicContact CB-CD1 3.8Å; E1199-L1223 HydrophobicContact CG-CD1 3.99Å; E1199-L1223 HydrophobicContact CG-CD2 4.11Å; F1202-L1223 WeakPolarHBondContact CE1-O 3.43Å; F1202-L1223 VanDerWaalsContact CZ-O 3.31Å; F1202-L1223 WeakPolarHBondContact CZ-O 3.2Å; F1204-L1223 HydrophobicContact CD2-CD2 3.91Å; F1204-L1223 HydrophobicContact CE2-CD2 4.19Å; T1209-L1223 HydrophobicContact CG2-CD1 4.5Å; T1209-L1223 HydrophobicContact CG2-CD2 3.83Å; T1209-L1223 HydrophobicContact CG2-CG 3.98Å; R1219-L1223 PolarHBondContact O-N 2.83Å; R1219-L1223 VanDerWaalsContact O-N 3.09Å; L1223-K1225 PolarHBondContact O-N 3.3Å; L1223-K1225 VanDerWaalsContact O-N 3.13Å; L1223-A1226 PolarHBondContact O-N 3.44Å; L1223-A1226 VanDerWaalsContact O-N 3.09Å
1224G92.4Very high94.5Very high7 Ų735.4 Ų35.47%0.07216%0.162CC..Hα-helixtrans-57-29.3177.900000114.3R1123 Q1220 L1222R1123-G1224 PolarHBondContact NH2-O 3.11Å; Q1220-G1224 PolarHBondContact O-N 3.44Å; L1222-G1224 VanDerWaalsContact C-N 3.3Å; L1222-G1224 PolarHBondContact O-N 3.14Å
1225K93.8Very high94.6Very high121 Ų12134.8 Ų34.853%0.52616%0.159SC..Hα-helixtrans-83.4-42.6172.2-67.9173.1178.2-177.30112.7R1123 T1168 K1221 L1222 L1223R1123-K1225 PolarHBondContact NH2-O 3.25Å; T1168-K1225 HydrophobicContact CG2-CG 3.89Å; K1221-K1225 WeakPolarHBondContact O-CG 3.29Å; K1221-K1225 PolarHBondContact O-N 3.03Å; L1222-K1225 WeakPolarHBondContact O-CB 3.47Å; L1222-K1225 PolarHBondContact O-N 3Å; L1222-K1225 VanDerWaalsContact O-N 3.08Å; L1223-K1225 PolarHBondContact O-N 3.3Å; L1223-K1225 VanDerWaalsContact O-N 3.13Å
1226A95.4Very high94.7Very high9 Ų930.8 Ų30.87%0.07414%0.138CC..SBendtrans-54.1157.3-169.400000115I976 R1123 F1204 L1222 L1223I976-A1226 HydrophobicContact CD1-CB 3.66Å; I976-A1226 HydrophobicContact CG1-CB 3.89Å; R1123-A1226 VanDerWaalsContact CZ-O 3.3Å; R1123-A1226 PolarHBondContact NE-O 3.27Å; R1123-A1226 PolarHBondContact NH2-O 3.45Å; F1204-A1226 HydrophobicContact CE2-CB 4.03Å; F1204-A1226 HydrophobicContact CZ-CB 3.97Å; L1222-A1226 PolarHBondContact O-N 2.87Å; L1223-A1226 PolarHBondContact O-N 3.44Å; L1223-A1226 VanDerWaalsContact O-N 3.09Å
1227W96.7Very high94.7Very high26 Ų2627.1 Ų27.110%0.09813%0.125CC..PPolyproline II helixtrans-72.1162.4170.9-65.1-22.7000111.4T978 I1038 E1089 I1232T978-W1227 HydrophobicContact CG2-CB 4.03Å; I1038-W1227 HydrophobicContact CB-CH2 4.17Å; I1038-W1227 HydrophobicContact CD1-CZ3 4.3Å; E1089-W1227 HydrophobicContact CB-CZ2 3.78Å; E1089-W1227 VanDerWaalsContact CD-NE1 3.32Å; E1089-W1227 PolarHBondContact OE2-NE1 3.49Å; W1227-I1232 HydrophobicContact CB-CD1 3.96Å; W1227-I1232 HydrophobicContact CB-CG1 3.58Å; W1227-I1232 HydrophobicContact CD2-CD1 3.66Å; W1227-I1232 HydrophobicContact CD2-CG1 4.02Å; W1227-I1232 HydrophobicContact CE3-CD1 3.49Å; W1227-I1232 VanDerWaalsContact CE3-CD1 3.49Å; W1227-I1232 HydrophobicContact CE3-CG1 3.68Å; W1227-I1232 HydrophobicContact CE3-CG2 4.36Å; W1227-I1232 HydrophobicContact CG-CD1 3.91Å; W1227-I1232 HydrophobicContact CG-CG1 4.05Å; W1227-I1232 HydrophobicContact CZ3-CD1 4.14Å
1228S96.2Very high94.8Very high8 Ų822.1 Ų22.16%0.05610%0.102CC..PPolyproline II helixtrans-86.3122.1169.6178.20000108.6F1202 V1231 I1232F1202-S1228 WeakPolarHBondContact O-CA 3.27Å; F1202-S1228 PolarHBondContact O-OG 2.96Å; S1228-V1231 WeakPolarHBondContact O-CB 3.4Å; S1228-V1231 PolarHBondContact O-N 2.77Å; S1228-V1231 VanDerWaalsContact O-N 3.1Å; S1228-I1232 PolarHBondContact O-N 3.15Å; S1228-I1232 VanDerWaalsContact O-N 3.12Å
1229V95.9Very high94.7Very high0 Ų019.4 Ų19.40%09%0.089CC..Hα-helixtrans-52.8-52.7-176-175.70000112.1T978 L981 V982 E985 F1202 G1203 F1204 V1231 I1232 R1233T978-V1229 HydrophobicContact CG2-CG2 4.23Å; L981-V1229 HydrophobicContact CD2-CG1 4.45Å; L981-V1229 HydrophobicContact CD2-CG2 4.11Å; V982-V1229 HydrophobicContact CG2-CB 4.44Å; V982-V1229 HydrophobicContact CG2-CG1 3.65Å; E985-V1229 WeakPolarHBondContact OE1-CG1 3.44Å; E985-V1229 WeakPolarHBondContact OE2-CG1 3.49Å; F1202-V1229 PolarHBondContact O-N 3.04Å; G1203-V1229 WeakPolarHBondContact O-CB 3.42Å; G1203-V1229 WeakPolarHBondContact O-CG2 3.4Å; F1204-V1229 HydrophobicContact CD1-CG2 3.78Å; F1204-V1229 HydrophobicContact CD2-CG2 4.01Å; F1204-V1229 HydrophobicContact CE1-CG2 3.77Å; F1204-V1229 HydrophobicContact CE2-CG2 3.99Å; F1204-V1229 HydrophobicContact CG-CG2 3.88Å; F1204-V1229 HydrophobicContact CZ-CG2 3.87Å; V1229-V1231 VanDerWaalsContact C-N 3.29Å; V1229-V1231 PolarHBondContact O-N 3.19Å; V1229-I1232 PolarHBondContact O-N 2.94Å; V1229-R1233 WeakPolarHBondContact O-CB 3.46Å; V1229-R1233 PolarHBondContact O-N 3.16Å
1230P94.1Very high94.6Very high7 Ų718.5 Ų18.55%0.0459%0.086CC..Hα-helixtrans-64.7-27.1178.824.8-35.9000114.5V1118 D1144 H1234V1118-P1230 HydrophobicContact CB-CB 4.04Å; V1118-P1230 HydrophobicContact CB-CG 4.21Å; V1118-P1230 HydrophobicContact CG2-CB 3.91Å; V1118-P1230 HydrophobicContact CG2-CG 3.79Å; D1144-P1230 WeakPolarHBondContact OD1-CB 3.25Å; P1230-H1234 WeakPolarHBondContact O-CB 3.5Å; P1230-H1234 PolarHBondContact O-N 3.21Å
1231V95.3Very high94.4Very high7 Ų718.7 Ų18.74%0.0429%0.087CC..Hα-helixtrans-68.9-42.8174.2175.10000110.9V1113 A1115 V1118 F1127 I1138 S1228 V1229 H1234 L1235V1113-V1231 HydrophobicContact CB-CG1 4.34Å; V1113-V1231 HydrophobicContact CG1-CG1 3.9Å; A1115-V1231 HydrophobicContact CB-CG2 3.78Å; V1118-V1231 HydrophobicContact CG2-CG2 3.96Å; F1127-V1231 HydrophobicContact CE2-CG1 3.82Å; F1127-V1231 HydrophobicContact CZ-CG1 3.71Å; I1138-V1231 HydrophobicContact CD1-CB 4.39Å; I1138-V1231 HydrophobicContact CD1-CG2 3.98Å; S1228-V1231 WeakPolarHBondContact O-CB 3.4Å; S1228-V1231 PolarHBondContact O-N 2.77Å; S1228-V1231 VanDerWaalsContact O-N 3.1Å; V1229-V1231 VanDerWaalsContact C-N 3.29Å; V1229-V1231 PolarHBondContact O-N 3.19Å; V1231-H1234 PolarHBondContact O-N 3.34Å; V1231-L1235 HydrophobicContact CG1-CD1 4.26Å; V1231-L1235 VanDerWaalsContact O-CG 3.31Å; V1231-L1235 WeakPolarHBondContact O-CG 3.44Å; V1231-L1235 PolarHBondContact O-N 2.92Å; V1231-L1235 VanDerWaalsContact O-N 3.09Å
1232I96.5Very high94.3Very high0 Ų014.3 Ų14.30%07%0.067CC..Hα-helixtrans-73.2-34.2176.9-55.6-60.1000110.7V982 F1127 W1227 S1228 V1229 H1234 L1235 F1236V982-I1232 HydrophobicContact CB-CG2 4.17Å; V982-I1232 HydrophobicContact CG1-CG2 4.08Å; V982-I1232 HydrophobicContact CG2-CB 4.11Å; V982-I1232 HydrophobicContact CG2-CG2 4.13Å; F1127-I1232 HydrophobicContact CE1-CD1 3.81Å; F1127-I1232 HydrophobicContact CZ-CD1 4.25Å; W1227-I1232 HydrophobicContact CB-CD1 3.96Å; W1227-I1232 HydrophobicContact CB-CG1 3.58Å; W1227-I1232 HydrophobicContact CD2-CD1 3.66Å; W1227-I1232 HydrophobicContact CD2-CG1 4.02Å; W1227-I1232 HydrophobicContact CE3-CD1 3.49Å; W1227-I1232 VanDerWaalsContact CE3-CD1 3.49Å; W1227-I1232 HydrophobicContact CE3-CG1 3.68Å; W1227-I1232 HydrophobicContact CE3-CG2 4.36Å; W1227-I1232 HydrophobicContact CG-CD1 3.91Å; W1227-I1232 HydrophobicContact CG-CG1 4.05Å; W1227-I1232 HydrophobicContact CZ3-CD1 4.14Å; S1228-I1232 PolarHBondContact O-N 3.15Å; S1228-I1232 VanDerWaalsContact O-N 3.12Å; V1229-I1232 PolarHBondContact O-N 2.94Å; I1232-H1234 PolarHBondContact O-N 3.32Å; I1232-L1235 HydrophobicContact CD1-CD1 4.28Å; I1232-L1235 PolarHBondContact O-N 3.46Å; I1232-L1235 VanDerWaalsContact O-N 3.11Å; I1232-F1236 HydrophobicContact CG2-CD1 4.23Å; I1232-F1236 HydrophobicContact CG2-CD2 3.79Å; I1232-F1236 HydrophobicContact CG2-CE1 4.01Å; I1232-F1236 HydrophobicContact CG2-CE2 3.54Å; I1232-F1236 HydrophobicContact CG2-CG 4.12Å; I1232-F1236 HydrophobicContact CG2-CZ 3.65Å; I1232-F1236 WeakPolarHBondContact O-CB 3.37Å; I1232-F1236 PolarHBondContact O-N 2.94Å
1233R94.3Very high94.3Very high65 Ų6514.1 Ų14.125%0.2457%0.066CC..Hα-helixtrans-58.7-45.7171.9-160-171.4-58.7132.4-3.5111.1V982 E985 L986 D1144 V1229 L1235 F1236 A1237V982-R1233 VanDerWaalsContact CG1-CA 3.47Å; V982-R1233 HydrophobicContact CG1-CB 4.01Å; V982-R1233 HydrophobicContact CG1-CG 4.36Å; E985-R1233 IonicContact OE1-NH2 3.28Å; E985-R1233 IonicContact OE2-CZ 2.66Å; E985-R1233 IonicContact OE2-NE 2.99Å; E985-R1233 PolarHBondContact OE2-NE 3.39Å; E985-R1233 IonicContact OE2-NH2 3.73Å; E985-R1233 PolarHBondContact OE2-NH2 3.09Å; L986-R1233 HydrophobicContact CD1-CG 4.33Å; L986-R1233 HydrophobicContact CD2-CG 3.85Å; L986-R1233 HydrophobicContact CG-CG 4.03Å; D1144-R1233 IonicContact OD1-NH1 2.69Å; D1144-R1233 PolarHBondContact OD1-NH1 3Å; V1229-R1233 WeakPolarHBondContact O-CB 3.46Å; V1229-R1233 PolarHBondContact O-N 3.16Å; R1233-L1235 VanDerWaalsContact C-N 3.35Å; R1233-L1235 PolarHBondContact O-N 3.38Å; R1233-F1236 PolarHBondContact O-N 3.26Å; R1233-A1237 WeakPolarHBondContact O-CB 3.49Å; R1233-A1237 PolarHBondContact O-N 3.31Å
1234H93.3Very high94.2Very high23 Ų2314.7 Ų14.711%0.1067%0.071CC..Hα-helixtrans-58.9-42.1171.7174.585.1000112.4R1136 I1138 P1230 V1231 I1232R1136-H1234 VanDerWaalsContact CZ-CE1 3.45Å; R1136-H1234 VanDerWaalsContact CZ-O 3.25Å; R1136-H1234 PolarHBondContact NH1-O 2.89Å; R1136-H1234 PolarHBondContact NH2-ND1 3.13Å; R1136-H1234 PolarHBondContact NH2-O 3Å; R1136-H1234 PolarHBondContact O-NE2 2.86Å; I1138-H1234 VanDerWaalsContact CA-CE1 3.46Å; I1138-H1234 WeakPolarHBondContact CA-CE1 3.28Å; I1138-H1234 HydrophobicContact CD1-CB 3.85Å; I1138-H1234 HydrophobicContact CG1-CB 4Å; P1230-H1234 WeakPolarHBondContact O-CB 3.5Å; P1230-H1234 PolarHBondContact O-N 3.21Å; V1231-H1234 PolarHBondContact O-N 3.34Å; I1232-H1234 PolarHBondContact O-N 3.32Å
1235L95Very high94Very high0 Ų014.6 Ų14.60%07%0.069CC..Hα-helixtrans-74.6-34.7-178.8-66.8169.4000113.4L1087 F1127 I1131 M1134 V1231 I1232 R1233 P1238L1087-L1235 HydrophobicContact CD1-CD1 4.47Å; L1087-L1235 HydrophobicContact CD2-CD1 4.17Å; F1127-L1235 HydrophobicContact CB-CD1 4.46Å; F1127-L1235 HydrophobicContact CD1-CD1 3.53Å; F1127-L1235 HydrophobicContact CD2-CD1 4.09Å; F1127-L1235 HydrophobicContact CE1-CD1 3.61Å; F1127-L1235 HydrophobicContact CE2-CD1 4.16Å; F1127-L1235 HydrophobicContact CG-CD1 3.77Å; F1127-L1235 HydrophobicContact CZ-CD1 3.93Å; I1131-L1235 WeakPolarHBondContact CG2-O 3.27Å; M1134-L1235 HydrophobicContact CB-CD2 4.04Å; M1134-L1235 HydrophobicContact CG-CD2 3.88Å; V1231-L1235 HydrophobicContact CG1-CD1 4.26Å; V1231-L1235 VanDerWaalsContact O-CG 3.31Å; V1231-L1235 WeakPolarHBondContact O-CG 3.44Å; V1231-L1235 PolarHBondContact O-N 2.92Å; V1231-L1235 VanDerWaalsContact O-N 3.09Å; I1232-L1235 HydrophobicContact CD1-CD1 4.28Å; I1232-L1235 PolarHBondContact O-N 3.46Å; I1232-L1235 VanDerWaalsContact O-N 3.11Å; R1233-L1235 VanDerWaalsContact C-N 3.35Å; R1233-L1235 PolarHBondContact O-N 3.38Å; L1235-P1238 WeakPolarHBondContact O-CD 3.46Å
1236F96.1Very high93.4Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-87.4-21.7-177.9-71.6-2.5000114.6V982 L983 L986 L1036 I1038 L1087 I1131 I1232 R1233 P1238 L1239V982-F1236 HydrophobicContact CB-CD2 4.34Å; V982-F1236 HydrophobicContact CG1-CB 4.37Å; V982-F1236 HydrophobicContact CG1-CD2 3.83Å; V982-F1236 HydrophobicContact CG1-CG 4.45Å; L983-F1236 HydrophobicContact CD1-CE2 4.49Å; L983-F1236 HydrophobicContact CD2-CD2 3.72Å; L983-F1236 HydrophobicContact CD2-CE2 4.2Å; L983-F1236 HydrophobicContact CD2-CG 4.46Å; L983-F1236 HydrophobicContact CG-CD2 3.94Å; L983-F1236 HydrophobicContact CG-CE2 4.05Å; L986-F1236 HydrophobicContact CD1-CB 3.71Å; L1036-F1236 HydrophobicContact CD2-CZ 4.41Å; I1038-F1236 HydrophobicContact CD1-CZ 3.97Å; I1038-F1236 HydrophobicContact CG2-CE1 4.14Å; I1038-F1236 HydrophobicContact CG2-CZ 3.95Å; L1087-F1236 HydrophobicContact CD2-CE1 3.8Å; I1131-F1236 HydrophobicContact CD1-CD1 4.06Å; I1131-F1236 HydrophobicContact CD1-CE1 4.26Å; I1232-F1236 HydrophobicContact CG2-CD1 4.23Å; I1232-F1236 HydrophobicContact CG2-CD2 3.79Å; I1232-F1236 HydrophobicContact CG2-CE1 4.01Å; I1232-F1236 HydrophobicContact CG2-CE2 3.54Å; I1232-F1236 HydrophobicContact CG2-CG 4.12Å; I1232-F1236 HydrophobicContact CG2-CZ 3.65Å; I1232-F1236 WeakPolarHBondContact O-CB 3.37Å; I1232-F1236 PolarHBondContact O-N 2.94Å; R1233-F1236 PolarHBondContact O-N 3.26Å; F1236-P1238 VanDerWaalsContact C-N 3.32Å; F1236-P1238 VanDerWaalsContact O-N 3.14Å; F1236-L1239 HydrophobicContact CB-CD1 4.36Å; F1236-L1239 HydrophobicContact CD1-CD1 4.35Å; F1236-L1239 HydrophobicContact CG-CD1 4.42Å; F1236-L1239 VanDerWaalsContact O-CB 3.27Å; F1236-L1239 WeakPolarHBondContact O-CB 3.48Å; F1236-L1239 WeakPolarHBondContact O-CG 3.48Å; F1236-L1239 PolarHBondContact O-N 3.31Å
1237A93.4Very high91.9Very high6 Ų620 Ų205%0.0510%0.098CC..G310 helixtrans-46.9-40.8-179.700000115.8Y861 L986 R1233 L1239 K1240Y861-A1237 HydrophobicContact CD2-CB 4.02Å; Y861-A1237 HydrophobicContact CE2-CB 4.01Å; Y861-A1237 WeakPolarHBondContact CE2-O 3.4Å; L986-A1237 HydrophobicContact CD2-CB 4.43Å; R1233-A1237 WeakPolarHBondContact O-CB 3.49Å; R1233-A1237 PolarHBondContact O-N 3.31Å; A1237-L1239 PolarHBondContact O-N 3.28Å; A1237-L1239 VanDerWaalsContact O-N 3.14Å; A1237-K1240 PolarHBondContact O-N 2.88Å
1238P92.5Very high90Very high0 Ų021.9 Ų21.90%011%0.109CC..G310 helixtrans-61.3-21.3178.2-22.634.7000114.6Y859 I1131 P1132 L1235 F1236 K1240 E1241Y859-P1238 HydrophobicContact CD1-CB 4.25Å; Y859-P1238 HydrophobicContact CD2-CB 3.78Å; Y859-P1238 HydrophobicContact CD2-CG 3.6Å; Y859-P1238 HydrophobicContact CE1-CB 4.36Å; Y859-P1238 HydrophobicContact CE2-CB 3.86Å; Y859-P1238 HydrophobicContact CE2-CG 4.12Å; Y859-P1238 HydrophobicContact CG-CB 3.97Å; Y859-P1238 HydrophobicContact CG-CG 3.87Å; I1131-P1238 HydrophobicContact CG2-CB 4.42Å; I1131-P1238 HydrophobicContact CG2-CG 4.46Å; P1132-P1238 HydrophobicContact CB-CB 4.45Å; P1132-P1238 VanDerWaalsContact O-CG 3.27Å; P1132-P1238 WeakPolarHBondContact O-CG 3.34Å; L1235-P1238 WeakPolarHBondContact O-CD 3.46Å; F1236-P1238 VanDerWaalsContact C-N 3.32Å; F1236-P1238 VanDerWaalsContact O-N 3.14Å; P1238-K1240 PolarHBondContact O-N 2.98Å; P1238-K1240 VanDerWaalsContact O-N 3.16Å; P1238-E1241 PolarHBondContact O-N 3.42Å
1239L94Very high87.3Confident0 Ų026.5 Ų26.50%014%0.139CC..G310 helixtrans-66.7-14.5179.9-58177.2000112.6F988 L1036 F1085 I1131 F1236 A1237 E1241 Y1242 F1243F988-L1239 HydrophobicContact CE1-CB 4.06Å; F988-L1239 HydrophobicContact CZ-CB 3.67Å; L1036-L1239 HydrophobicContact CD1-CD1 4.42Å; L1036-L1239 HydrophobicContact CD2-CD1 4.08Å; F1085-L1239 HydrophobicContact CB-CD2 4.21Å; F1085-L1239 HydrophobicContact CD1-CD2 4.19Å; F1085-L1239 HydrophobicContact CD2-CD2 3.58Å; F1085-L1239 HydrophobicContact CE2-CD2 3.94Å; F1085-L1239 HydrophobicContact CG-CD2 3.7Å; F1085-L1239 HydrophobicContact CZ-CD2 4.4Å; I1131-L1239 HydrophobicContact CG2-CD2 4.01Å; I1131-L1239 HydrophobicContact CG2-CG 4.31Å; F1236-L1239 HydrophobicContact CB-CD1 4.36Å; F1236-L1239 HydrophobicContact CD1-CD1 4.35Å; F1236-L1239 HydrophobicContact CG-CD1 4.42Å; F1236-L1239 VanDerWaalsContact O-CB 3.27Å; F1236-L1239 WeakPolarHBondContact O-CB 3.48Å; F1236-L1239 WeakPolarHBondContact O-CG 3.48Å; F1236-L1239 PolarHBondContact O-N 3.31Å; A1237-L1239 PolarHBondContact O-N 3.28Å; A1237-L1239 VanDerWaalsContact O-N 3.14Å; L1239-E1241 PolarHBondContact O-N 3.32Å; L1239-E1241 VanDerWaalsContact O-N 3.17Å; L1239-Y1242 PolarHBondContact O-N 2.99Å; L1239-F1243 HydrophobicContact CB-CD2 4.23Å; L1239-F1243 HydrophobicContact CD2-CE2 4.44Å; L1239-F1243 PolarHBondContact O-N 3.02Å; L1239-F1243 VanDerWaalsContact O-N 3.17Å
1240K91.9Very high84.6Confident3 Ų332.6 Ų32.61%0.01318%0.178CC..G310 helixtrans-61.1-18172.7-77.8-157.5171.5-156.90113.8Y861 G865 R964 L986 F988 A1237 P1238 Y1242Y861-K1240 HydrophobicContact CD1-CD 3.89Å; Y861-K1240 HydrophobicContact CD2-CD 4.09Å; Y861-K1240 HydrophobicContact CE1-CB 4.48Å; Y861-K1240 HydrophobicContact CE1-CD 3.82Å; Y861-K1240 HydrophobicContact CE2-CB 4.36Å; Y861-K1240 HydrophobicContact CE2-CD 4.02Å; Y861-K1240 HydrophobicContact CE2-CG 4.41Å; Y861-K1240 HydrophobicContact CG-CD 4.04Å; G865-K1240 PolarHBondContact O-NZ 3.39Å; R964-K1240 PolarHBondContact NH1-O 3.41Å; R964-K1240 VanDerWaalsContact NH1-O 3.11Å; L986-K1240 WeakPolarHBondContact O-CE 3.48Å; L986-K1240 PolarHBondContact O-NZ 2.95Å; F988-K1240 HydrophobicContact CE1-CG 4.04Å; F988-K1240 HydrophobicContact CE2-CG 4.37Å; F988-K1240 HydrophobicContact CZ-CB 4.38Å; F988-K1240 HydrophobicContact CZ-CG 3.67Å; A1237-K1240 PolarHBondContact O-N 2.88Å; P1238-K1240 PolarHBondContact O-N 2.98Å; P1238-K1240 VanDerWaalsContact O-N 3.16Å; K1240-Y1242 VanDerWaalsContact C-N 3.29Å
1241E90.1Very high81.8Confident6 Ų638 Ų383%0.02821%0.206CC..G310 helixtrans-82.6-4.8174-64.9-71-167.600113.7Y859 R889 V959 R964 P1238 L1239Y859-E1241 HydrophobicContact CE1-CG 3.95Å; R889-E1241 IonicContact CZ-OE1 2.73Å; R889-E1241 IonicContact CZ-OE2 3.77Å; R889-E1241 IonicContact NH1-OE1 3.34Å; R889-E1241 PolarHBondContact NH1-OE1 3.41Å; R889-E1241 VanDerWaalsContact NH2-CD 3.27Å; R889-E1241 IonicContact NH2-OE1 3.21Å; R889-E1241 PolarHBondContact NH2-OE1 3.34Å; R889-E1241 IonicContact NH2-OE2 2.82Å; R889-E1241 PolarHBondContact NH2-OE2 3.32Å; R889-E1241 VanDerWaalsContact NH2-OE2 3.1Å; V959-E1241 PolarHBondContact N-O 3.03Å; R964-E1241 IonicContact CZ-OE2 3.28Å; R964-E1241 PolarHBondContact NE-O 3.21Å; R964-E1241 IonicContact NH1-OE2 2.7Å; R964-E1241 PolarHBondContact NH2-O 3.41Å; R964-E1241 VanDerWaalsContact NH2-O 3.08Å; R964-E1241 IonicContact NH2-OE2 2.79Å; R964-E1241 PolarHBondContact NH2-OE2 3.16Å; P1238-E1241 PolarHBondContact O-N 3.42Å; L1239-E1241 PolarHBondContact O-N 3.32Å; L1239-E1241 VanDerWaalsContact O-N 3.17Å
1242Y93Very high78.6Confident4 Ų442.2 Ų42.22%0.01624%0.241CC..THydrogen-bonded Turntrans-121-36.3-172.3-64.7-90.7000113.9Q939 Y956 P957 V959 P1083 F1085 P1132 L1239 K1240Q939-Y1242 PolarHBondContact NE2-OH 2.94Å; Q939-Y1242 VanDerWaalsContact NE2-OH 3.14Å; Q939-Y1242 PolarHBondContact OE1-OH 3.39Å; Y956-Y1242 WeakPolarHBondContact O-CE1 3.46Å; Y956-Y1242 PolarHBondContact O-OH 2.88Å; P957-Y1242 VanDerWaalsContact O-CE1 3.26Å; P957-Y1242 WeakPolarHBondContact O-CE1 3.39Å; V959-Y1242 HydrophobicContact CG2-CD1 3.84Å; V959-Y1242 HydrophobicContact CG2-CG 4.44Å; P1083-Y1242 HydrophobicContact CB-CD1 3.95Å; P1083-Y1242 HydrophobicContact CG-CD1 4.01Å; F1085-Y1242 AromaticContact CE2-CD1 3.89Å; F1085-Y1242 HydrophobicContact CE2-CD1 3.89Å; F1085-Y1242 HydrophobicContact CE2-CD2 4.18Å; F1085-Y1242 HydrophobicContact CE2-CE1 4.27Å; F1085-Y1242 AromaticContact CE2-CG 3.84Å; F1085-Y1242 HydrophobicContact CE2-CG 3.84Å; F1085-Y1242 AromaticContact CZ-CD1 3.75Å; F1085-Y1242 HydrophobicContact CZ-CD1 3.75Å; F1085-Y1242 AromaticContact CZ-CD2 3.99Å; F1085-Y1242 HydrophobicContact CZ-CD2 3.99Å; F1085-Y1242 AromaticContact CZ-CE1 3.64Å; F1085-Y1242 HydrophobicContact CZ-CE1 3.64Å; F1085-Y1242 AromaticContact CZ-CE2 3.88Å; F1085-Y1242 HydrophobicContact CZ-CE2 3.88Å; F1085-Y1242 AromaticContact CZ-CG 3.92Å; F1085-Y1242 HydrophobicContact CZ-CG 3.92Å; F1085-Y1242 AromaticContact CZ-CZ 3.69Å; P1132-Y1242 HydrophobicContact CG-CE2 4.14Å; L1239-Y1242 PolarHBondContact O-N 2.99Å; K1240-Y1242 VanDerWaalsContact C-N 3.29Å
1243F95Very high75.4Confident4 Ų446.2 Ų46.22%0.01828%0.275CS..BIsolated β-bridgetrans-121.2157.9-171.2-57-78.4000112.8R965 L967 F988 D1035 P1083 F1085 L1239R965-F1243 WeakPolarHBondContact O-CA 3.33Å; L967-F1243 HydrophobicContact CB-CB 4.27Å; L967-F1243 HydrophobicContact CB-CD1 4.29Å; L967-F1243 HydrophobicContact CB-CG 4.22Å; L967-F1243 HydrophobicContact CD1-CD1 3.76Å; L967-F1243 HydrophobicContact CD1-CD2 3.76Å; L967-F1243 HydrophobicContact CD1-CE1 3.76Å; L967-F1243 HydrophobicContact CD1-CE2 3.74Å; L967-F1243 HydrophobicContact CD1-CG 3.77Å; L967-F1243 HydrophobicContact CD1-CZ 3.75Å; F988-F1243 HydrophobicContact CD1-CB 4.16Å; F988-F1243 HydrophobicContact CE1-CB 4.23Å; D1035-F1243 HydrophobicContact CB-CE1 3.63Å; D1035-F1243 HydrophobicContact CB-CZ 3.8Å; P1083-F1243 HydrophobicContact CB-CZ 4.44Å; F1085-F1243 AromaticContact CD2-CE2 3.79Å; F1085-F1243 HydrophobicContact CD2-CE2 3.79Å; F1085-F1243 HydrophobicContact CD2-CZ 4.08Å; F1085-F1243 AromaticContact CE2-CE2 3.82Å; F1085-F1243 HydrophobicContact CE2-CE2 3.82Å; F1085-F1243 HydrophobicContact CE2-CZ 4.15Å; L1239-F1243 HydrophobicContact CB-CD2 4.23Å; L1239-F1243 HydrophobicContact CD2-CE2 4.44Å; L1239-F1243 PolarHBondContact O-N 3.02Å; L1239-F1243 VanDerWaalsContact O-N 3.17Å
1244A93.3Very high72.3Confident13 Ų1347.6 Ų47.611%0.10730%0.3CS..  trans-71.2145-178.300000111.5R964 R965 K989R964-A1244 HydrophobicContact CB-CB 4.44Å; R965-A1244 PolarHBondContact O-N 3.28Å; K989-A1244 HydrophobicContact CB-CB 4.24Å; K989-A1244 HydrophobicContact CD-CB 3.9Å; K989-A1244 PolarHBondContact N-O 3.31Å
1245C89.1Confident69Low4 Ų452 Ų523%0.02733%0.332CS..BIsolated β-bridgetrans-118.2155.5173.6-62.60000110.2H888 G987 K989H888-C1245 PolarHBondContact CE1-SG 2.85Å; H888-C1245 WeakPolarHBondContact NE2-CB 3.29Å; G987-C1245 CarbonylContact O-C 3.58Å; G987-C1245 WeakPolarHBondContact O-CA 3.36Å; G987-C1245 WeakPolarHBondContact O-CB 3.25Å; K989-C1245 VanDerWaalsContact CD-O 3.31Å; K989-C1245 WeakPolarHBondContact CD-O 3.49Å; K989-C1245 WeakPolarHBondContact CE-O 3.39Å; K989-C1245 PolarHBondContact NZ-O 2.94Å
1246D81Confident65.9Low84 Ų8458.4 Ų58.445%0.44937%0.371SS..  trans-75.8148.8167.8-72.4-57.4000110.3G987 K989 L1248G987-D1246 PolarHBondContact O-N 2.96Å; K989-D1246 WeakPolarHBondContact CE-OD1 3.47Å; K989-D1246 HydrophobicContact CG-CB 4.43Å; K989-D1246 VanDerWaalsContact CG-CG 3.45Å; K989-D1246 WeakPolarHBondContact CG-OD1 3.26Å; D1246-L1248 PolarHBondContact O-N 3.44Å
1247E62.8Low62.6Low160 Ų16063.8 Ų63.875%0.74841%0.408SS*.  trans-69.6113.6166.6-67-175.9147.300107.7
1248L56.6Low59.5Low66 Ų6669.3 Ų69.335%0.34644%0.442SS..PPolyproline II helixtrans-71.6126.2175.4-68.8170.6000108.3D1246D1246-L1248 PolarHBondContact O-N 3.44Å
1249P41.1Very low56.4Low105 Ų10574.6 Ų74.668%0.68249%0.485SS*.PPolyproline II helixtrans-63.3137.1-176.625.8-34000109.8I1251P1249-I1251 PolarHBondContact O-N 2.84Å; P1249-I1251 VanDerWaalsContact O-N 3.15Å
1250P37.9Very low53.4Low127 Ų12780 Ų8083%0.82552%0.523SS*.PPolyproline II helixtrans-59.1122.7-175.123.2-33.5000110.4A1252P1250-A1252 PolarHBondContact O-N 3.44Å; P1250-A1252 VanDerWaalsContact O-N 3.07Å
1251I36.2Very low50.5Low121 Ų12186.5 Ų86.562%0.62156%0.563SS**  trans-62114.7-178.7-60.8174.8000108.3E863 P1249 A1253E863-I1251 HydrophobicContact CB-CD1 4.22Å; P1249-I1251 PolarHBondContact O-N 2.84Å; P1249-I1251 VanDerWaalsContact O-N 3.15Å; I1251-A1253 PolarHBondContact O-N 3.23Å
1252A27.5Very low47.4Very low95 Ų9590.6 Ų90.679%0.78560%0.598SS**  trans-60.3107.4173.800000109P1250 A1254P1250-A1252 PolarHBondContact O-N 3.44Å; P1250-A1252 VanDerWaalsContact O-N 3.07Å; A1252-A1254 PolarHBondContact O-N 2.89Å; A1252-A1254 VanDerWaalsContact O-N 3.12Å
1253A29.4Very low44.7Very low85 Ų8596 Ų9670%0.70263%0.634SS**  trans-56.9119.1-170.700000111.2I1251 C1255I1251-A1253 PolarHBondContact O-N 3.23Å; A1253-C1255 PolarHBondContact O-N 3.33Å
1254A28.7Very low41.5Very low93 Ų93101.3 Ų101.377%0.76967%0.671SS**  trans-64.198.5176.500000109.2A1252 V1256A1252-A1254 PolarHBondContact O-N 2.89Å; A1252-A1254 VanDerWaalsContact O-N 3.12Å; A1254-V1256 PolarHBondContact O-N 2.94Å
1255C24.8Very low38.4Very low116 Ų116105.9 Ų105.978%0.78470%0.702SS**  trans-62.1107.9-178.1-710000109.9A1253 S1257A1253-C1255 PolarHBondContact O-N 3.33Å; C1255-S1257 VanDerWaalsContact C-N 3.26Å; C1255-S1257 PolarHBondContact O-N 2.89Å
1256V28.7Very low36.3Very low135 Ų135110.6 Ų110.682%0.81873%0.733SS**  trans-7087.4171.3-178.90000108A1254 T1258A1254-V1256 PolarHBondContact O-N 2.94Å; V1256-T1258 PolarHBondContact O-N 2.7Å
1257S27.5Very low33.7Very low112 Ų112113.1 Ų113.178%0.78375%0.746SS**  trans-68.2102175.144.40000109.6C1255 A1259C1255-S1257 VanDerWaalsContact C-N 3.26Å; C1255-S1257 PolarHBondContact O-N 2.89Å; S1257-A1259 PolarHBondContact O-N 2.98Å
1258T28.6Very low32Very low123 Ų123110.9 Ų110.976%0.75575%0.748SS**  trans-62.512117337.50000109.7V1256 S1260V1256-T1258 PolarHBondContact O-N 2.7Å; T1258-S1260 PolarHBondContact O-N 3.16Å
1259A27.9Very low31.3Very low110 Ų110112.9 Ų112.991%0.90977%0.766SS**  trans-63.6119.4-175.800000111.2S1257S1257-A1259 PolarHBondContact O-N 2.98Å
1260S29.6Very low30.8Very low113 Ų113114.9 Ų114.979%0.7977%0.77SS**  trans-123.6141.8161.950.60000109.6T1258T1258-S1260 PolarHBondContact O-N 3.16Å
1261T30.8Very low30.4Very low140 Ų140116 Ų11686%0.85977%0.768SS**  trans-34.4130.6-172.5460000117.4
1262A26.7Very low30.2Very low93 Ų93118.8 Ų118.877%0.76978%0.779SS**  trans-64.9162.8163.800000111.7
1263P35.4Very low30.4Very low118 Ų118122.3 Ų122.377%0.76678%0.779SS**  -147.2-169.980.241.4-24.1000115.7
1264S27.1Very low30.6Very low114 Ų114125.7 Ų125.780%0.79779%0.785SS**  trans79.9103.9168.564.20000119.5
1265S28.4Very low30.7Very low110 Ų110136.4 Ų136.477%0.76981%0.805SS**  trans-70.4171.9144.655.30000109.6
1266P45Very low31Very low103 Ų103137.5 Ų137.567%0.66981%0.806SS**  cis-148.2-162.833.541.6-18.1000117.4
1267N27Very low31.1Very low136 Ų136137.6 Ų137.673%0.72781%0.806SS**  trans98.187.7158.7-62.3-13.1000119.9
1268S27.2Very low31.3Very low113 Ų113139 Ų13979%0.7981%0.807SS**  79.9157.6123.566.10000118.5
1269P42.3Very low31.5Very low109 Ų109139.9 Ų139.971%0.70881%0.81SS**  trans-103.1169.7-152.441-36.7000113.6
1270D29.3Very low31.7Very low146 Ų146141.8 Ų141.878%0.78180%0.804SS**  -165.5169.3114.2-113.9-28.6000114.4
1271L30.2Very low31.8Very low150 Ų150143.7 Ų143.779%0.78581%0.805SS**  trans62.189.2159.3-73.8159.1000119.2
1272Q31.2Very low31.9Very low181 Ų181144 Ų14485%0.84680%0.801SS**  trans-59.8138.9138.9-57168-48.400110.2
1273Q32.9Very low32.3Very low169 Ų169147.9 Ų147.979%0.7980%0.803SS**  trans177.4146132-101.7171.433.300112.7
1274L34.4Very low32Very low155 Ų155150.4 Ų150.481%0.81281%0.806SS**  trans56.4102.6160.4-58.7162.8000115.6
1275R29.5Very low32.5Very low319 Ų319153.7 Ų153.7100%1.20481%0.807SS**  cis-150039.3-82176.9165.1162.2-4112.4

Retrieved 1,275 of 1,275 residues in 917.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).