A0A3B3V7V5_9TELE Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A3B3V7V5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 230 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
1M33.8Very low58.1Low243 Ų243104.2 Ų104.2100%1.19762%0.618SS**  0105.60-70.2-168-114.900107.1G3M1-G3 PolarHBondContact O-N 2.89Å; M1-G3 VanDerWaalsContact O-N 3.15Å
2C36.8Very low60.2Low139 Ų139102.8 Ų102.894%0.93963%0.627SS**  trans-72.7104.6-178.8-66.20000108.4N4C2-N4 PolarHBondContact O-N 3.29Å
3G36.8Very low62.3Low67 Ų67106.3 Ų106.369%0.69163%0.632SS**  trans-61.2122.5170.500000108.6M1 N5M1-G3 PolarHBondContact O-N 2.89Å; M1-G3 VanDerWaalsContact O-N 3.15Å; G3-N5 VanDerWaalsContact C-N 3.29Å; G3-N5 PolarHBondContact O-N 3.36Å
4N37.8Very low64.6Low146 Ų146100.1 Ų100.178%0.78160%0.598SS**  trans-65.694172.2-135.615.1000106.8C2 M6C2-N4 PolarHBondContact O-N 3.29Å; N4-M6 PolarHBondContact O-N 3.15Å
5N42.7Very low66.7Low143 Ų14395.5 Ų95.577%0.76557%0.571SS**  trans-67.282.5168.7-100.21000106.9G3 S7G3-N5 VanDerWaalsContact C-N 3.29Å; G3-N5 PolarHBondContact O-N 3.36Å; N5-S7 VanDerWaalsContact C-N 3.31Å; N5-S7 PolarHBondContact O-N 3.29Å
6M52.1Low68.6Low121 Ų12193.7 Ų93.760%0.59656%0.561SS**  trans-58.1106.3158-77.7-151.5-66.500106.1N4 V8N4-M6 PolarHBondContact O-N 3.15Å; M6-V8 PolarHBondContact O-N 3.45Å
7S64.9Low70.2Confident105 Ų10589.1 Ų89.173%0.73453%0.533SS*.  trans-59.3124.8170.847.60000107.3N5 P9N5-S7 VanDerWaalsContact C-N 3.31Å; N5-S7 PolarHBondContact O-N 3.29Å; S7-P9 VanDerWaalsContact O-CD 3.3Å; S7-P9 WeakPolarHBondContact O-CD 3.34Å
8V80.9Confident71.6Confident15 Ų1588.1 Ų88.19%0.09153%0.531CS..  trans-91105.3168.1-178.50000105.4M6 L10 L11 A101 I102 H105M6-V8 PolarHBondContact O-N 3.45Å; V8-L10 PolarHBondContact O-N 3.17Å; V8-L10 VanDerWaalsContact O-N 3.14Å; V8-L11 HydrophobicContact CB-CB 4.2Å; V8-L11 HydrophobicContact CB-CD1 3.91Å; V8-L11 HydrophobicContact CB-CG 4.04Å; V8-L11 HydrophobicContact CG1-CB 4.48Å; V8-L11 HydrophobicContact CG1-CD1 4.23Å; V8-L11 HydrophobicContact CG1-CG 4.02Å; V8-L11 HydrophobicContact CG2-CD1 4.28Å; V8-L11 WeakPolarHBondContact O-CB 3.48Å; V8-L11 PolarHBondContact O-N 3.01Å; V8-A101 HydrophobicContact CG1-CB 4.34Å; V8-I102 HydrophobicContact CG1-CG1 3.72Å; V8-H105 HydrophobicContact CG2-CB 3.85Å
9P82.3Confident72.8Confident103 Ų10384.4 Ų84.467%0.66951%0.513SS*.Hα-helixtrans-57.2-36.6-168.6-27.236.6000113S7 L11 A12S7-P9 VanDerWaalsContact O-CD 3.3Å; S7-P9 WeakPolarHBondContact O-CD 3.34Å; P9-L11 PolarHBondContact O-N 3.34Å; P9-A12 WeakPolarHBondContact O-CB 3.47Å; P9-A12 PolarHBondContact O-N 3.22Å
10L84.4Confident73.9Confident27 Ų2784.6 Ų84.614%0.14151%0.514CS..Hα-helixtrans-65.3-23.3177.6-66.4-179.4000113.9V8 A14 P57 H58 W75 N98 I99 I102V8-L10 PolarHBondContact O-N 3.17Å; V8-L10 VanDerWaalsContact O-N 3.14Å; L10-A14 WeakPolarHBondContact O-CB 3.18Å; L10-P57 HydrophobicContact CB-CB 4.23Å; L10-H58 WeakPolarHBondContact CD2-O 3.05Å; L10-W75 HydrophobicContact CD1-CZ3 4.14Å; L10-W75 HydrophobicContact CD2-CZ3 4.43Å; L10-N98 HydrophobicContact CD1-CB 3.7Å; L10-I99 HydrophobicContact CD1-CD1 3.91Å; L10-I102 HydrophobicContact CB-CD1 4.03Å; L10-I102 HydrophobicContact CD1-CD1 4.27Å
11L86.4Confident74.9Confident37 Ų3784.5 Ų84.519%0.19451%0.508CS..Hα-helixtrans-81-24.6176.4-74.9-178.7000112.9V8 P9 E13 A14 I55 I102 H105V8-L11 HydrophobicContact CB-CB 4.2Å; V8-L11 HydrophobicContact CB-CD1 3.91Å; V8-L11 HydrophobicContact CB-CG 4.04Å; V8-L11 HydrophobicContact CG1-CB 4.48Å; V8-L11 HydrophobicContact CG1-CD1 4.23Å; V8-L11 HydrophobicContact CG1-CG 4.02Å; V8-L11 HydrophobicContact CG2-CD1 4.28Å; V8-L11 WeakPolarHBondContact O-CB 3.48Å; V8-L11 PolarHBondContact O-N 3.01Å; P9-L11 PolarHBondContact O-N 3.34Å; L11-E13 PolarHBondContact O-N 3.45Å; L11-A14 HydrophobicContact CD2-CB 4.4Å; L11-A14 PolarHBondContact O-N 2.71Å; L11-I55 HydrophobicContact CD2-CG2 3.58Å; L11-I102 HydrophobicContact CD1-CG2 4.33Å; L11-I102 HydrophobicContact CD2-CD1 4.48Å; L11-I102 HydrophobicContact CD2-CG1 4.34Å; L11-I102 HydrophobicContact CD2-CG2 3.83Å; L11-I102 HydrophobicContact CG-CG1 4.16Å; L11-I102 HydrophobicContact CG-CG2 4.25Å; L11-H105 HydrophobicContact CD1-CB 4.03Å; L11-H105 WeakPolarHBondContact CD1-ND1 3.44Å
12A84.1Confident77.9Confident88 Ų8881.5 Ų81.573%0.72749%0.488SS*.Hα-helixtrans-63.3-31.8-176.400000112.4P9P9-A12 WeakPolarHBondContact O-CB 3.47Å; P9-A12 PolarHBondContact O-N 3.22Å
13E87.5Confident80.9Confident148 Ų14877.7 Ų77.769%0.69246%0.457SS*.SBendtrans-112.32.6-179.9-58-173.6167.100112.4L11 H58L11-E13 PolarHBondContact O-N 3.45Å; E13-H58 PolarHBondContact O-CD2 3.42Å; E13-H58 PolarHBondContact O-NE2 2.81Å; E13-H58 VanDerWaalsContact O-NE2 3.16Å
14A93.9Very high83.8Confident19 Ų1975.8 Ų75.816%0.15743%0.432CS..  trans-65138.1-177.300000112.3L10 L11 T16 I55 P57L10-A14 WeakPolarHBondContact O-CB 3.18Å; L11-A14 HydrophobicContact CD2-CB 4.4Å; L11-A14 PolarHBondContact O-N 2.71Å; A14-T16 PolarHBondContact O-N 3.1Å; A14-I55 HydrophobicContact CB-CG2 4.01Å; A14-P57 HydrophobicContact CB-CB 4.31Å
15V96.3Very high86.7Confident31 Ų3168.8 Ų68.819%0.18840%0.395CS..EExtended strand (participates in β ladder)trans-77.6122.3167.9-173.80000108A41 C56V15-A41 HydrophobicContact CB-CB 4.09Å; V15-A41 HydrophobicContact CG1-CB 3.42Å; V15-A41 VanDerWaalsContact CG1-CB 3.42Å; V15-C56 HydrophobicContact CB-CB 4.37Å; V15-C56 PolarHBondContact N-O 3.23Å; V15-C56 WeakPolarHBondContact O-CB 3.22Å; V15-C56 PolarHBondContact O-N 3.37Å
16T96.4Very high89.4Confident67 Ų6762 Ų6241%0.41136%0.358SS..EExtended strand (participates in β ladder)trans-114.7122179-58.40000110.7A14 F54A14-T16 PolarHBondContact O-N 3.1Å; T16-F54 CarbonylContact C-O 3.56Å; T16-F54 VanDerWaalsContact CA-O 3.28Å; T16-F54 WeakPolarHBondContact CA-O 3.43Å
17V96Very high91.6Very high16 Ų1656.4 Ų56.410%0.09733%0.331CS..EExtended strand (participates in β ladder)trans-90.5102.4167.1-173.20000107.5A41 T45 K53 F54V17-A41 HydrophobicContact CG2-CB 3.82Å; V17-A41 WeakPolarHBondContact CG2-O 3.21Å; V17-T45 WeakPolarHBondContact CG1-OG1 3.14Å; V17-K53 WeakPolarHBondContact O-CA 3.46Å; V17-F54 HydrophobicContact CB-CB 4.1Å; V17-F54 HydrophobicContact CB-CD2 4.43Å; V17-F54 HydrophobicContact CG2-CB 4.47Å; V17-F54 PolarHBondContact N-O 3.37Å; V17-F54 PolarHBondContact O-N 2.94Å
18S95.7Very high93.2Very high71 Ų7151.4 Ų51.450%0.49730%0.296SS..  trans-69.8149.7179.4-700000112.7E23S18-E23 WeakPolarHBondContact CA-OE1 3.41Å; S18-E23 WeakPolarHBondContact CB-OE1 3.34Å
19G93.8Very high94.1Very high17 Ų1750.8 Ų50.818%0.17529%0.292CS..  trans-63.9157.7166.800000111.4Q21 E23 P50G19-Q21 VanDerWaalsContact C-N 3.33Å; G19-E23 PolarHBondContact N-OE1 3.19Å; G19-E23 VanDerWaalsContact N-OE1 3.07Å; G19-P50 CarbonylContact C-O 3.55Å; G19-P50 VanDerWaalsContact CA-O 3.27Å; G19-P50 WeakPolarHBondContact CA-O 3.46Å
20T95.5Very high94.8Very high89 Ų8945.9 Ų45.955%0.54626%0.26SS..SBendtrans-88.5-5.317257.90000112.8P50T20-P50 PolarHBondContact N-O 2.95Å; T20-P50 WeakPolarHBondContact OG1-CB 3.43Å
21Q95.8Very high95.5Very high82 Ų8244.7 Ų44.738%0.38325%0.254SS..SBendtrans-126.9-178.6174.2-64.2-178.722.100109.9G19 E23 P50G19-Q21 VanDerWaalsContact C-N 3.33Å; Q21-E23 PolarHBondContact O-N 2.94Å; Q21-E23 VanDerWaalsContact O-N 3.12Å; Q21-P50 HydrophobicContact CB-CB 4.36Å; Q21-P50 HydrophobicContact CG-CB 3.91Å; Q21-P50 PolarHBondContact N-O 3.36Å
22K96.4Very high96.1Very high180 Ų18043 Ų4378%0.78325%0.246SC*.  trans-53.6121.7170.7-175.8179.6178.9-176.70109.6T24K22-T24 PolarHBondContact O-N 3.17Å
23E98.3Very high96.7Very high60 Ų6041.1 Ų41.128%0.2822%0.223SC..  trans-72118.9-179.5-60.5170.1158.200109S18 G19 Q21 H51 K53 I111S18-E23 WeakPolarHBondContact CA-OE1 3.41Å; S18-E23 WeakPolarHBondContact CB-OE1 3.34Å; G19-E23 PolarHBondContact N-OE1 3.19Å; G19-E23 VanDerWaalsContact N-OE1 3.07Å; Q21-E23 PolarHBondContact O-N 2.94Å; Q21-E23 VanDerWaalsContact O-N 3.12Å; E23-H51 WeakPolarHBondContact CA-O 3.42Å; E23-K53 HydrophobicContact CB-CD 4.29Å; E23-K53 HydrophobicContact CG-CB 4.03Å; E23-K53 HydrophobicContact CG-CD 4.36Å; E23-K53 VanDerWaalsContact OE1-CB 3.32Å; E23-K53 WeakPolarHBondContact OE1-CB 3.41Å; E23-K53 WeakPolarHBondContact OE2-CD 3.38Å; E23-K53 IonicContact OE2-NZ 2.59Å; E23-I111 HydrophobicContact CB-CD1 4.47Å
24T98.6Very high97.1Very high26 Ų2636.1 Ų36.116%0.1621%0.211CC..  trans-118.41.1178.463.50000112.3K22 H51 R115 I230K22-T24 PolarHBondContact O-N 3.17Å; T24-H51 PolarHBondContact N-O 3.28Å; T24-R115 WeakPolarHBondContact O-CB 3.4Å; T24-R115 PolarHBondContact O-NE 3.23Å; T24-R115 PolarHBondContact OG1-NH2 2.86Å; T24-I230 HydrophobicContact CG2-CD1 4.43Å; T24-I230 HydrophobicContact CG2-CG1 4.1Å
25A98.8Very high97.1Very high0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-154.6157.3-177.900000110.5H51 V52 K53 R115 L227A25-H51 PolarHBondContact N-O 2.99Å; A25-V52 HydrophobicContact CB-CG2 3.99Å; A25-V52 WeakPolarHBondContact O-CA 3.34Å; A25-K53 PolarHBondContact O-N 3.07Å; A25-R115 VanDerWaalsContact CA-O 3.26Å; A25-R115 WeakPolarHBondContact CA-O 3.41Å; A25-R115 HydrophobicContact CB-CB 4.3Å; A25-R115 WeakPolarHBondContact CB-O 3.3Å; A25-L227 HydrophobicContact CB-CB 4.08Å; A25-L227 HydrophobicContact CB-CD1 4.01Å; A25-L227 HydrophobicContact CB-CD2 3.9Å; A25-L227 HydrophobicContact CB-CG 4.22Å
26A98.8Very high97Very high0 Ų039 Ų390%023%0.225CC..EExtended strand (participates in β ladder)trans-134.8148.4178.300000111.9K53 I111 R115 I116 I117A26-K53 CarbonylContact C-O 3.53Å; A26-K53 VanDerWaalsContact CA-O 3.29Å; A26-K53 WeakPolarHBondContact CA-O 3.48Å; A26-K53 HydrophobicContact CB-CG 3.93Å; A26-I111 HydrophobicContact CB-CD1 4.13Å; A26-I111 HydrophobicContact CB-CG2 4.19Å; A26-R115 PolarHBondContact N-O 2.86Å; A26-I116 HydrophobicContact CB-CG1 4.4Å; A26-I116 VanDerWaalsContact O-CA 3.32Å; A26-I116 WeakPolarHBondContact O-CA 3.44Å; A26-I117 PolarHBondContact O-N 3.38Å
27V98.8Very high96.8Very high3 Ų335.9 Ų35.92%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-116.3121.61651760000107.2F29 V52 K53 F54 I55 I117 I223 L227V27-F29 HydrophobicContact CG1-CB 4.48Å; V27-V52 HydrophobicContact CG2-CG1 3.73Å; V27-K53 PolarHBondContact N-O 3.41Å; V27-F54 HydrophobicContact CB-CD1 3.57Å; V27-F54 HydrophobicContact CB-CE1 3.9Å; V27-F54 HydrophobicContact CB-CG 4.25Å; V27-F54 HydrophobicContact CG1-CD1 3.81Å; V27-F54 HydrophobicContact CG1-CE1 4.15Å; V27-F54 HydrophobicContact CG2-CD1 4.01Å; V27-F54 HydrophobicContact CG2-CE1 3.8Å; V27-F54 HydrophobicContact CG2-CZ 4.4Å; V27-F54 CarbonylContact O-C 3.57Å; V27-F54 WeakPolarHBondContact O-CA 3.29Å; V27-I55 PolarHBondContact O-N 3.36Å; V27-I117 CarbonylContact C-O 3.6Å; V27-I117 VanDerWaalsContact CA-O 3.3Å; V27-I117 WeakPolarHBondContact CA-O 3.31Å; V27-I117 HydrophobicContact CG2-CB 4.23Å; V27-I223 HydrophobicContact CG2-CD1 4.05Å; V27-I223 HydrophobicContact CG2-CG1 4.28Å; V27-I223 HydrophobicContact CG2-CG2 4.24Å; V27-L227 HydrophobicContact CG2-CD1 4.2Å
28I98.8Very high96.7Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-98.2113.1171.6-58.5164.8000106.9L30 I55 I99 I102 I103 I116 I117 I118 G119I28-L30 HydrophobicContact CG2-CD2 4.07Å; I28-I55 CarbonylContact C-O 3.55Å; I28-I55 WeakPolarHBondContact CA-O 3.19Å; I28-I55 HydrophobicContact CG1-CD1 4.29Å; I28-I99 HydrophobicContact CG2-CG2 4.38Å; I28-I102 HydrophobicContact CD1-CB 4.21Å; I28-I102 HydrophobicContact CD1-CG2 3.63Å; I28-I102 HydrophobicContact CG1-CG2 4.08Å; I28-I103 HydrophobicContact CD1-CG1 3.66Å; I28-I116 HydrophobicContact CD1-CG2 3.84Å; I28-I116 HydrophobicContact CG1-CG2 4.25Å; I28-I117 PolarHBondContact N-O 3.29Å; I28-I118 CarbonylContact O-C 3.52Å; I28-I118 WeakPolarHBondContact O-CA 3.39Å; I28-G119 PolarHBondContact O-N 3.14Å
29F98.8Very high96.3Very high3 Ų338.3 Ų38.31%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-115.2120.4-174.2-161-79.3000112.5V27 W40 L44 I55 C56 G119 F121 L145V27-F29 HydrophobicContact CG1-CB 4.48Å; F29-W40 HydrophobicContact CD1-CB 3.88Å; F29-W40 AromaticContact CD1-CD2 3.94Å; F29-W40 HydrophobicContact CD1-CD2 3.94Å; F29-W40 HydrophobicContact CD1-CE3 4.08Å; F29-W40 AromaticContact CD1-CG 3.83Å; F29-W40 HydrophobicContact CD1-CG 3.83Å; F29-W40 HydrophobicContact CE1-CB 4.1Å; F29-W40 AromaticContact CE1-CD2 3.21Å; F29-W40 HydrophobicContact CE1-CD2 3.21Å; F29-W40 AromaticContact CE1-CE2 3.8Å; F29-W40 AromaticContact CE1-CE3 3.29Å; F29-W40 HydrophobicContact CE1-CE3 3.29Å; F29-W40 AromaticContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CH2 4.4Å; F29-W40 HydrophobicContact CE1-CZ2 4.39Å; F29-W40 AromaticContact CE1-CZ3 3.9Å; F29-W40 HydrophobicContact CE1-CZ3 3.9Å; F29-W40 HydrophobicContact CE2-CE3 4.38Å; F29-W40 AromaticContact CZ-CD2 3.86Å; F29-W40 HydrophobicContact CZ-CD2 3.86Å; F29-W40 AromaticContact CZ-CE3 3.46Å; F29-W40 HydrophobicContact CZ-CE3 3.46Å; F29-W40 VanDerWaalsContact CZ-CE3 3.46Å; F29-W40 HydrophobicContact CZ-CH2 4.17Å; F29-W40 AromaticContact CZ-CZ3 3.62Å; F29-W40 HydrophobicContact CZ-CZ3 3.62Å; F29-L44 HydrophobicContact CB-CD1 3.64Å; F29-L44 HydrophobicContact CD1-CD1 4.25Å; F29-L44 HydrophobicContact CD2-CD1 4.15Å; F29-L44 HydrophobicContact CD2-CD2 4.25Å; F29-L44 HydrophobicContact CG-CD1 3.75Å; F29-I55 PolarHBondContact N-O 2.78Å; F29-C56 WeakPolarHBondContact O-CA 3.27Å; F29-G119 CarbonylContact C-O 3.59Å; F29-G119 VanDerWaalsContact CA-O 3.23Å; F29-G119 WeakPolarHBondContact CA-O 3.26Å; F29-F121 HydrophobicContact CE1-CB 4.3Å; F29-F121 HydrophobicContact CZ-CB 4.4Å; F29-L145 HydrophobicContact CE2-CD1 4.1Å; F29-L145 HydrophobicContact CZ-CD1 3.78Å; F29-L145 HydrophobicContact CZ-CG 4.4Å
30L98.8Very high96.4Very high0 Ų038.3 Ų38.30%021%0.211CC..EExtended strand (participates in β ladder)trans-100.8122-174.5-49.8-175000110.8I28 P57 W75 I99 G119 G120 F121 L127 S128I28-L30 HydrophobicContact CG2-CD2 4.07Å; L30-P57 HydrophobicContact CD2-CG 3.54Å; L30-W75 HydrophobicContact CB-CZ2 3.94Å; L30-W75 HydrophobicContact CD2-CH2 3.98Å; L30-W75 HydrophobicContact CD2-CZ2 3.94Å; L30-W75 HydrophobicContact CG-CZ2 4.45Å; L30-I99 HydrophobicContact CD1-CD1 4.13Å; L30-I99 HydrophobicContact CD1-CG1 3.97Å; L30-I99 HydrophobicContact CD2-CD1 3.68Å; L30-I99 HydrophobicContact CD2-CG1 4.38Å; L30-G119 PolarHBondContact N-O 3.2Å; L30-G120 CarbonylContact O-C 3.55Å; L30-G120 WeakPolarHBondContact O-CA 3.35Å; L30-F121 PolarHBondContact O-N 2.9Å; L30-L127 HydrophobicContact CD1-CB 4.01Å; L30-L127 HydrophobicContact CD1-CD2 3.8Å; L30-L127 HydrophobicContact CD1-CG 3.85Å; L30-S128 WeakPolarHBondContact CD1-OG 3.2Å
31H98.5Very high96.4Very high1 Ų134.1 Ų34.11%0.00519%0.186CC..PPolyproline II helixtrans-72166.8179.968.580.2000112.8D35 T36 G37 P57 A59 W75 G124H31-D35 HydrophobicContact CB-CB 4.19Å; H31-D35 VanDerWaalsContact CE1-C 3.47Å; H31-D35 PolarHBondContact CE1-O 2.93Å; H31-D35 PolarHBondContact ND1-O 3.05Å; H31-T36 VanDerWaalsContact CD2-C 3.48Å; H31-G37 PolarHBondContact CD2-N 3.15Å; H31-P57 PolarHBondContact CD2-O 3.12Å; H31-P57 VanDerWaalsContact CD2-O 3.32Å; H31-A59 VanDerWaalsContact CE1-CB 3.49Å; H31-A59 WeakPolarHBondContact CE1-CB 3.4Å; H31-A59 PolarHBondContact NE2-N 3.26Å; H31-W75 AromaticContact CD2-CZ2 3.93Å; H31-W75 AromaticContact NE2-CZ2 3.98Å; H31-W75 PolarHBondContact O-NE1 3.16Å; H31-G124 WeakPolarHBondContact O-CA 3.4Å; H31-G124 PolarHBondContact O-N 3.35Å
32G97.9Very high96.2Very high3 Ų336.1 Ų36.13%0.03120%0.199CC..PPolyproline II helixtrans-77.6173176.400000113.9G34 D35 F121G32-G34 PolarHBondContact O-N 2.93Å; G32-D35 WeakPolarHBondContact O-CB 3.44Å; G32-D35 PolarHBondContact O-N 3.06Å; G32-F121 WeakPolarHBondContact CA-O 3.44Å
33L97.4Very high96.1Very high48 Ų4829.9 Ų29.925%0.25118%0.178SC..THydrogen-bonded Turntrans-54.2132.3177.4175.765.5000111.6D35 V64 M72 A74 L78L33-D35 PolarHBondContact O-N 2.68Å; L33-V64 HydrophobicContact CD1-CG1 4.33Å; L33-V64 HydrophobicContact CD1-CG2 3.97Å; L33-V64 HydrophobicContact CD2-CG1 4.41Å; L33-M72 HydrophobicContact CD1-CG 4.33Å; L33-M72 HydrophobicContact CD1-SD 4.03Å; L33-M72 HydrophobicContact CG-SD 4.3Å; L33-A74 HydrophobicContact CD1-CB 3.49Å; L33-A74 VanDerWaalsContact CD1-CB 3.49Å; L33-L78 HydrophobicContact CD2-CD2 3.98Å
34G94.8Very high95.9Very high42 Ų4227 Ų2743%0.43317%0.165SC..THydrogen-bonded Turntrans79.8-10.6175.900000115.6G32 P73G32-G34 PolarHBondContact O-N 2.93Å; G34-P73 PolarHBondContact N-O 2.93Å
35D94.8Very high95.8Very high59 Ų5928.5 Ų28.532%0.31617%0.174SC..  trans-87.8-172.8-179.1-163.25.2000112.1H31 G32 L33 W40 P73H31-D35 HydrophobicContact CB-CB 4.19Å; H31-D35 VanDerWaalsContact CE1-C 3.47Å; H31-D35 PolarHBondContact CE1-O 2.93Å; H31-D35 PolarHBondContact ND1-O 3.05Å; G32-D35 WeakPolarHBondContact O-CB 3.44Å; G32-D35 PolarHBondContact O-N 3.06Å; L33-D35 PolarHBondContact O-N 2.68Å; D35-W40 PolarHBondContact OD2-NE1 3.18Å; D35-P73 WeakPolarHBondContact O-CB 3.43Å
36T94.5Very high95.6Very high53 Ų5331.5 Ų31.533%0.32521%0.205SC..  trans-135.7163.5172.274.50000110.5H31 H38H31-T36 VanDerWaalsContact CD2-C 3.48Å; T36-H38 PolarHBondContact O-N 3.47Å; T36-H38 VanDerWaalsContact O-N 3.12Å; T36-H38 PolarHBondContact OG1-N 3.26Å
37G92.8Very high95.4Very high1 Ų132 Ų321%0.0121%0.208CC..Hα-helixtrans-59-17.4172.800000115.5H31 A41 C56 H58H31-G37 PolarHBondContact CD2-N 3.15Å; G37-A41 VanDerWaalsContact O-CB 3.28Å; G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 2.76Å; G37-C56 WeakPolarHBondContact O-CB 3.49Å; G37-H58 PolarHBondContact N-CE1 3.49Å; G37-H58 VanDerWaalsContact N-CE1 3.28Å; G37-H58 PolarHBondContact N-ND1 3.38Å
38H93.3Very high95.2Very high106 Ų10637.9 Ų37.949%0.49123%0.23SC..Hα-helixtrans-64.4-48.3-179.7-68.890.2000112.1T36 W40 A41 D42 H58T36-H38 PolarHBondContact O-N 3.47Å; T36-H38 VanDerWaalsContact O-N 3.12Å; T36-H38 PolarHBondContact OG1-N 3.26Å; H38-W40 VanDerWaalsContact C-N 3.26Å; H38-W40 PolarHBondContact O-N 2.87Å; H38-A41 PolarHBondContact O-N 3.47Å; H38-A41 VanDerWaalsContact O-N 3.16Å; H38-D42 PolarHBondContact O-N 2.77Å; H38-D42 VanDerWaalsContact O-N 3.09Å; H38-H58 AromaticContact CE1-CE1 3.64Å; H38-H58 AromaticContact CE1-NE2 3.5Å; H38-H58 PolarHBondContact CE1-NE2 2.96Å; H38-H58 AromaticContact ND1-CE1 3.39Å; H38-H58 PolarHBondContact ND1-CE1 3.12Å; H38-H58 AromaticContact ND1-NE2 3.75Å
39G88Confident95.1Very high32 Ų3238.4 Ų38.433%0.3323%0.232SC..Hα-helixtrans-60.8-37.1-176.600000112.9S43G39-S43 PolarHBondContact O-N 2.68Å; G39-S43 PolarHBondContact O-OG 3.36Å
40W95.2Very high95.1Very high16 Ų1640.8 Ų40.86%0.06125%0.248CC..Hα-helixtrans-79-34.9176.3-76.995.5000113.2F29 D35 H38 D42 S43 L44 F121 L145 M216F29-W40 HydrophobicContact CD1-CB 3.88Å; F29-W40 AromaticContact CD1-CD2 3.94Å; F29-W40 HydrophobicContact CD1-CD2 3.94Å; F29-W40 HydrophobicContact CD1-CE3 4.08Å; F29-W40 AromaticContact CD1-CG 3.83Å; F29-W40 HydrophobicContact CD1-CG 3.83Å; F29-W40 HydrophobicContact CE1-CB 4.1Å; F29-W40 AromaticContact CE1-CD2 3.21Å; F29-W40 HydrophobicContact CE1-CD2 3.21Å; F29-W40 AromaticContact CE1-CE2 3.8Å; F29-W40 AromaticContact CE1-CE3 3.29Å; F29-W40 HydrophobicContact CE1-CE3 3.29Å; F29-W40 AromaticContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CG 3.56Å; F29-W40 HydrophobicContact CE1-CH2 4.4Å; F29-W40 HydrophobicContact CE1-CZ2 4.39Å; F29-W40 AromaticContact CE1-CZ3 3.9Å; F29-W40 HydrophobicContact CE1-CZ3 3.9Å; F29-W40 HydrophobicContact CE2-CE3 4.38Å; F29-W40 AromaticContact CZ-CD2 3.86Å; F29-W40 HydrophobicContact CZ-CD2 3.86Å; F29-W40 AromaticContact CZ-CE3 3.46Å; F29-W40 HydrophobicContact CZ-CE3 3.46Å; F29-W40 VanDerWaalsContact CZ-CE3 3.46Å; F29-W40 HydrophobicContact CZ-CH2 4.17Å; F29-W40 AromaticContact CZ-CZ3 3.62Å; F29-W40 HydrophobicContact CZ-CZ3 3.62Å; D35-W40 PolarHBondContact OD2-NE1 3.18Å; H38-W40 VanDerWaalsContact C-N 3.26Å; H38-W40 PolarHBondContact O-N 2.87Å; W40-D42 VanDerWaalsContact C-N 3.29Å; W40-D42 PolarHBondContact O-N 2.83Å; W40-S43 PolarHBondContact O-N 3.35Å; W40-L44 HydrophobicContact CB-CD1 4.46Å; W40-L44 VanDerWaalsContact O-CB 3.3Å; W40-L44 WeakPolarHBondContact O-CB 3.41Å; W40-L44 WeakPolarHBondContact O-CD1 3.34Å; W40-L44 WeakPolarHBondContact O-CG 3.08Å; W40-L44 PolarHBondContact O-N 3.2Å; W40-F121 HydrophobicContact CH2-CB 3.86Å; W40-F121 AromaticContact CH2-CD2 3.85Å; W40-F121 HydrophobicContact CH2-CD2 3.85Å; W40-F121 HydrophobicContact CH2-CG 4.01Å; W40-F121 HydrophobicContact CZ2-CB 3.22Å; W40-F121 AromaticContact CZ2-CD1 3.94Å; W40-F121 HydrophobicContact CZ2-CD1 3.94Å; W40-F121 AromaticContact CZ2-CD2 3.55Å; W40-F121 HydrophobicContact CZ2-CD2 3.55Å; W40-F121 HydrophobicContact CZ2-CE2 4.37Å; W40-F121 AromaticContact CZ2-CG 3.29Å; W40-F121 HydrophobicContact CZ2-CG 3.29Å; W40-L145 HydrophobicContact CH2-CD1 3.88Å; W40-L145 HydrophobicContact CZ3-CD1 3.87Å; W40-M216 HydrophobicContact CZ3-SD 4.34Å
41A95.5Very high95Very high2 Ų241.5 Ų41.52%0.01725%0.251CS..Hα-helixtrans-59.4-41174.500000111.9V15 V17 G37 H38 L44 T45 C56V15-A41 HydrophobicContact CB-CB 4.09Å; V15-A41 HydrophobicContact CG1-CB 3.42Å; V15-A41 VanDerWaalsContact CG1-CB 3.42Å; V17-A41 HydrophobicContact CG2-CB 3.82Å; V17-A41 WeakPolarHBondContact CG2-O 3.21Å; G37-A41 VanDerWaalsContact O-CB 3.28Å; G37-A41 WeakPolarHBondContact O-CB 3.49Å; G37-A41 PolarHBondContact O-N 2.76Å; H38-A41 PolarHBondContact O-N 3.47Å; H38-A41 VanDerWaalsContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 2.79Å; A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 PolarHBondContact O-N 2.72Å; A41-T45 PolarHBondContact O-OG1 2.97Å; A41-C56 HydrophobicContact CB-CB 4.41Å
42D92.3Very high95Very high123 Ų12341.4 Ų41.466%0.65825%0.251SS*.Hα-helixtrans-62.5-47.5175.7-71-20.1000111.6H38 W40 L44 T45H38-D42 PolarHBondContact O-N 2.77Å; H38-D42 VanDerWaalsContact O-N 3.09Å; W40-D42 VanDerWaalsContact C-N 3.29Å; W40-D42 PolarHBondContact O-N 2.83Å; D42-L44 PolarHBondContact O-N 3.4Å; D42-T45 WeakPolarHBondContact O-CB 3.37Å; D42-T45 PolarHBondContact O-N 3.44Å
43S93.1Very high95Very high50 Ų5042.7 Ų42.735%0.3526%0.256SS..Hα-helixtrans-62.4-42.3177.3-60.30000112.4G39 W40 T45 G46G39-S43 PolarHBondContact O-N 2.68Å; G39-S43 PolarHBondContact O-OG 3.36Å; W40-S43 PolarHBondContact O-N 3.35Å; S43-T45 VanDerWaalsContact C-N 3.31Å; S43-T45 PolarHBondContact O-N 3.13Å; S43-G46 PolarHBondContact O-N 3.37Å
44L95.1Very high95.1Very high0 Ų040.5 Ų40.50%024%0.244CC..Hα-helixtrans-70.3-27.7179.9-68.7166.3000112.4F29 W40 A41 D42 G46 I47 R48 F54 M216F29-L44 HydrophobicContact CB-CD1 3.64Å; F29-L44 HydrophobicContact CD1-CD1 4.25Å; F29-L44 HydrophobicContact CD2-CD1 4.15Å; F29-L44 HydrophobicContact CD2-CD2 4.25Å; F29-L44 HydrophobicContact CG-CD1 3.75Å; W40-L44 HydrophobicContact CB-CD1 4.46Å; W40-L44 VanDerWaalsContact O-CB 3.3Å; W40-L44 WeakPolarHBondContact O-CB 3.41Å; W40-L44 WeakPolarHBondContact O-CD1 3.34Å; W40-L44 WeakPolarHBondContact O-CG 3.08Å; W40-L44 PolarHBondContact O-N 3.2Å; A41-L44 PolarHBondContact O-N 2.79Å; D42-L44 PolarHBondContact O-N 3.4Å; L44-G46 PolarHBondContact O-N 2.89Å; L44-I47 HydrophobicContact CD2-CD1 4.06Å; L44-I47 HydrophobicContact CD2-CG1 4.37Å; L44-I47 CarbonylContact O-C 3.57Å; L44-I47 WeakPolarHBondContact O-CG1 3.39Å; L44-I47 PolarHBondContact O-N 2.97Å; L44-R48 PolarHBondContact O-N 3.11Å; L44-R48 VanDerWaalsContact O-N 3.11Å; L44-F54 HydrophobicContact CB-CD1 3.93Å; L44-F54 HydrophobicContact CB-CE1 4.38Å; L44-F54 HydrophobicContact CB-CG 4.25Å; L44-F54 HydrophobicContact CD1-CB 4.35Å; L44-F54 HydrophobicContact CD1-CD1 4Å; L44-F54 HydrophobicContact CD2-CD1 3.9Å; L44-F54 HydrophobicContact CD2-CE1 4Å; L44-F54 HydrophobicContact CG-CD1 4.16Å; L44-M216 HydrophobicContact CD2-CE 4.16Å
45T95.6Very high95.3Very high56 Ų5638.6 Ų38.634%0.34422%0.224SC..Hα-helixtrans-58.2-35.1172.9-64.20000111.5V17 A41 D42 S43 I47 R48V17-T45 WeakPolarHBondContact CG1-OG1 3.14Å; A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 PolarHBondContact O-N 2.72Å; A41-T45 PolarHBondContact O-OG1 2.97Å; D42-T45 WeakPolarHBondContact O-CB 3.37Å; D42-T45 PolarHBondContact O-N 3.44Å; S43-T45 VanDerWaalsContact C-N 3.31Å; S43-T45 PolarHBondContact O-N 3.13Å; T45-I47 PolarHBondContact O-N 3.33Å; T45-R48 VanDerWaalsContact O-CG 3.32Å; T45-R48 WeakPolarHBondContact O-CG 3.34Å; T45-R48 PolarHBondContact O-N 3.1Å
46G94.1Very high95.4Very high64 Ų6435.8 Ų35.866%0.6621%0.209SC*.THydrogen-bonded Turntrans-65-21.2176.700000114.7S43 L44S43-G46 PolarHBondContact O-N 3.37Å; L44-G46 PolarHBondContact O-N 2.89Å
47I95.7Very high95.6Very high11 Ų1133.2 Ų33.26%0.05619%0.193CC..THydrogen-bonded Turntrans-118.713.6-179.163.2157.2000113.7L44 T45 M216 V219 R220 I223L44-I47 HydrophobicContact CD2-CD1 4.06Å; L44-I47 HydrophobicContact CD2-CG1 4.37Å; L44-I47 CarbonylContact O-C 3.57Å; L44-I47 WeakPolarHBondContact O-CG1 3.39Å; L44-I47 PolarHBondContact O-N 2.97Å; T45-I47 PolarHBondContact O-N 3.33Å; I47-M216 HydrophobicContact CD1-CE 3.7Å; I47-M216 HydrophobicContact CG1-CE 4.04Å; I47-M216 HydrophobicContact CG2-CB 4.08Å; I47-V219 HydrophobicContact CD1-CB 4.11Å; I47-V219 HydrophobicContact CD1-CG1 3.64Å; I47-R220 HydrophobicContact CB-CB 3.91Å; I47-R220 HydrophobicContact CB-CG 4.14Å; I47-R220 HydrophobicContact CD1-CB 4.37Å; I47-R220 HydrophobicContact CG2-CB 4.11Å; I47-I223 HydrophobicContact CD1-CD1 4.28Å
48R94.1Very high95.8Very high125 Ų12534.9 Ų34.947%0.47220%0.201SC..  trans-59.4142.7-174.671.6-175.7179.5169.4-2.7112.6L44 T45 F54L44-R48 PolarHBondContact O-N 3.11Å; L44-R48 VanDerWaalsContact O-N 3.11Å; T45-R48 VanDerWaalsContact O-CG 3.32Å; T45-R48 WeakPolarHBondContact O-CG 3.34Å; T45-R48 PolarHBondContact O-N 3.1Å; R48-F54 HydrophobicContact CB-CE2 4Å
49L97.1Very high96Very high11 Ų1130.2 Ų30.26%0.05818%0.181CC..  trans-105143.7169.5-58.5-177.6000109.8H51 V52 I223 E224L49-H51 VanDerWaalsContact C-N 3.26Å; L49-H51 PolarHBondContact O-N 3.47Å; L49-H51 VanDerWaalsContact O-N 3.13Å; L49-V52 HydrophobicContact CB-CB 4.1Å; L49-V52 HydrophobicContact CB-CG2 3.78Å; L49-V52 HydrophobicContact CD1-CG2 4.1Å; L49-V52 HydrophobicContact CG-CG2 4.45Å; L49-V52 PolarHBondContact O-N 3.11Å; L49-V52 VanDerWaalsContact O-N 3.15Å; L49-I223 HydrophobicContact CD1-CB 4.48Å; L49-I223 HydrophobicContact CD1-CG2 3.68Å; L49-I223 HydrophobicContact CG-CG2 4.42Å; L49-E224 HydrophobicContact CD1-CB 3.99Å
50P97.7Very high96.4Very high53 Ų5331.8 Ų31.834%0.34419%0.185SC..THydrogen-bonded Turntrans-57.4-32.6-171.8-28.336000115.7G19 T20 Q21G19-P50 CarbonylContact C-O 3.55Å; G19-P50 VanDerWaalsContact CA-O 3.27Å; G19-P50 WeakPolarHBondContact CA-O 3.46Å; T20-P50 PolarHBondContact N-O 2.95Å; T20-P50 WeakPolarHBondContact OG1-CB 3.43Å; Q21-P50 HydrophobicContact CB-CB 4.36Å; Q21-P50 HydrophobicContact CG-CB 3.91Å; Q21-P50 PolarHBondContact N-O 3.36Å
51H98.4Very high96.5Very high15 Ų1538.2 Ų38.27%0.06921%0.213CC..THydrogen-bonded Turntrans-103.26.3-17660.9-81.4000113.8E23 T24 A25 L49 L227E23-H51 WeakPolarHBondContact CA-O 3.42Å; T24-H51 PolarHBondContact N-O 3.28Å; A25-H51 PolarHBondContact N-O 2.99Å; L49-H51 VanDerWaalsContact C-N 3.26Å; L49-H51 PolarHBondContact O-N 3.47Å; L49-H51 VanDerWaalsContact O-N 3.13Å; H51-L227 PolarHBondContact NE2-O 3.35Å
52V98.6Very high96.6Very high0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-113.3128.7-179.5-177.30000109A25 V27 L49 F54 I223 L227A25-V52 HydrophobicContact CB-CG2 3.99Å; A25-V52 WeakPolarHBondContact O-CA 3.34Å; V27-V52 HydrophobicContact CG2-CG1 3.73Å; L49-V52 HydrophobicContact CB-CB 4.1Å; L49-V52 HydrophobicContact CB-CG2 3.78Å; L49-V52 HydrophobicContact CD1-CG2 4.1Å; L49-V52 HydrophobicContact CG-CG2 4.45Å; L49-V52 PolarHBondContact O-N 3.11Å; L49-V52 VanDerWaalsContact O-N 3.15Å; V52-F54 HydrophobicContact CB-CE2 4.29Å; V52-F54 HydrophobicContact CG1-CD2 4.48Å; V52-F54 HydrophobicContact CG1-CE2 4Å; V52-F54 HydrophobicContact CG1-CZ 4.13Å; V52-I223 HydrophobicContact CG2-CG2 4.44Å; V52-L227 HydrophobicContact CG1-CD1 4.33Å; V52-L227 HydrophobicContact CG2-CB 4.34Å; V52-L227 HydrophobicContact CG2-CD1 4.41Å
53K97.9Very high96.9Very high30 Ų3037.2 Ų37.213%0.1321%0.21CC..EExtended strand (participates in β ladder)trans-97.9144.6168.777.1-169.6-165.4178.90111.2V17 E23 A25 A26 V27 I55 E106 I111V17-K53 WeakPolarHBondContact O-CA 3.46Å; E23-K53 HydrophobicContact CB-CD 4.29Å; E23-K53 HydrophobicContact CG-CB 4.03Å; E23-K53 HydrophobicContact CG-CD 4.36Å; E23-K53 VanDerWaalsContact OE1-CB 3.32Å; E23-K53 WeakPolarHBondContact OE1-CB 3.41Å; E23-K53 WeakPolarHBondContact OE2-CD 3.38Å; E23-K53 IonicContact OE2-NZ 2.59Å; A25-K53 PolarHBondContact O-N 3.07Å; A26-K53 CarbonylContact C-O 3.53Å; A26-K53 VanDerWaalsContact CA-O 3.29Å; A26-K53 WeakPolarHBondContact CA-O 3.48Å; A26-K53 HydrophobicContact CB-CG 3.93Å; V27-K53 PolarHBondContact N-O 3.41Å; K53-I55 HydrophobicContact CG-CG1 4.43Å; K53-E106 WeakPolarHBondContact CE-OE2 3.3Å; K53-E106 IonicContact NZ-OE1 3.59Å; K53-E106 IonicContact NZ-OE2 3.64Å; K53-E106 PolarHBondContact NZ-OE2 3.15Å; K53-I111 HydrophobicContact CD-CD1 3.94Å; K53-I111 HydrophobicContact CG-CD1 4.45Å
54F98.4Very high97.2Very high1 Ų134.8 Ų34.80%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-111121.3177-59.1-105.9000109.2T16 V17 V27 L44 R48 V52 I223T16-F54 CarbonylContact C-O 3.56Å; T16-F54 VanDerWaalsContact CA-O 3.28Å; T16-F54 WeakPolarHBondContact CA-O 3.43Å; V17-F54 HydrophobicContact CB-CB 4.1Å; V17-F54 HydrophobicContact CB-CD2 4.43Å; V17-F54 HydrophobicContact CG2-CB 4.47Å; V17-F54 PolarHBondContact N-O 3.37Å; V17-F54 PolarHBondContact O-N 2.94Å; V27-F54 HydrophobicContact CB-CD1 3.57Å; V27-F54 HydrophobicContact CB-CE1 3.9Å; V27-F54 HydrophobicContact CB-CG 4.25Å; V27-F54 HydrophobicContact CG1-CD1 3.81Å; V27-F54 HydrophobicContact CG1-CE1 4.15Å; V27-F54 HydrophobicContact CG2-CD1 4.01Å; V27-F54 HydrophobicContact CG2-CE1 3.8Å; V27-F54 HydrophobicContact CG2-CZ 4.4Å; V27-F54 CarbonylContact O-C 3.57Å; V27-F54 WeakPolarHBondContact O-CA 3.29Å; L44-F54 HydrophobicContact CB-CD1 3.93Å; L44-F54 HydrophobicContact CB-CE1 4.38Å; L44-F54 HydrophobicContact CB-CG 4.25Å; L44-F54 HydrophobicContact CD1-CB 4.35Å; L44-F54 HydrophobicContact CD1-CD1 4Å; L44-F54 HydrophobicContact CD2-CD1 3.9Å; L44-F54 HydrophobicContact CD2-CE1 4Å; L44-F54 HydrophobicContact CG-CD1 4.16Å; R48-F54 HydrophobicContact CB-CE2 4Å; V52-F54 HydrophobicContact CB-CE2 4.29Å; V52-F54 HydrophobicContact CG1-CD2 4.48Å; V52-F54 HydrophobicContact CG1-CE2 4Å; V52-F54 HydrophobicContact CG1-CZ 4.13Å; F54-I223 HydrophobicContact CE1-CD1 3.83Å; F54-I223 HydrophobicContact CZ-CD1 4.28Å
55I98.6Very high97.3Very high2 Ų237.5 Ų37.51%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-106.1115.2179.4-53.1170.5000107.4L11 A14 V27 I28 F29 K53 P57 I102 E106L11-I55 HydrophobicContact CD2-CG2 3.58Å; A14-I55 HydrophobicContact CB-CG2 4.01Å; V27-I55 PolarHBondContact O-N 3.36Å; I28-I55 CarbonylContact C-O 3.55Å; I28-I55 WeakPolarHBondContact CA-O 3.19Å; I28-I55 HydrophobicContact CG1-CD1 4.29Å; F29-I55 PolarHBondContact N-O 2.78Å; K53-I55 HydrophobicContact CG-CG1 4.43Å; I55-P57 VanDerWaalsContact O-CD 3.23Å; I55-P57 WeakPolarHBondContact O-CD 3.23Å; I55-I102 HydrophobicContact CD1-CG2 4.38Å; I55-E106 HydrophobicContact CD1-CG 3.83Å
56C98.4Very high97.4Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-113.882.7-179.3-550000109.2V15 F29 G37 A41V15-C56 HydrophobicContact CB-CB 4.37Å; V15-C56 PolarHBondContact N-O 3.23Å; V15-C56 WeakPolarHBondContact O-CB 3.22Å; V15-C56 PolarHBondContact O-N 3.37Å; F29-C56 WeakPolarHBondContact O-CA 3.27Å; G37-C56 WeakPolarHBondContact O-CB 3.49Å; A41-C56 HydrophobicContact CB-CB 4.41Å
57P98.1Very high97.5Very high0 Ų037.6 Ų37.60%019%0.193CC..PPolyproline II helixtrans-65.6153.3-179.927.5-33.8000111.9L10 A14 L30 H31 I55 W75 I102L10-P57 HydrophobicContact CB-CB 4.23Å; A14-P57 HydrophobicContact CB-CB 4.31Å; L30-P57 HydrophobicContact CD2-CG 3.54Å; H31-P57 PolarHBondContact CD2-O 3.12Å; H31-P57 VanDerWaalsContact CD2-O 3.32Å; I55-P57 VanDerWaalsContact O-CD 3.23Å; I55-P57 WeakPolarHBondContact O-CD 3.23Å; P57-W75 HydrophobicContact CB-CH2 4.01Å; P57-W75 HydrophobicContact CG-CH2 3.77Å; P57-W75 HydrophobicContact CG-CZ2 4.46Å; P57-I102 HydrophobicContact CB-CD1 4.28Å; P57-I102 HydrophobicContact CG-CD1 4.17Å
58H97.3Very high97.5Very high36 Ų3645.7 Ų45.717%0.16723%0.233CC..PPolyproline II helixtrans-87.4128.8170.7-64.5-49.8000110.6L10 E13 G37 H38L10-H58 WeakPolarHBondContact CD2-O 3.05Å; E13-H58 PolarHBondContact O-CD2 3.42Å; E13-H58 PolarHBondContact O-NE2 2.81Å; E13-H58 VanDerWaalsContact O-NE2 3.16Å; G37-H58 PolarHBondContact N-CE1 3.49Å; G37-H58 VanDerWaalsContact N-CE1 3.28Å; G37-H58 PolarHBondContact N-ND1 3.38Å; H38-H58 AromaticContact CE1-CE1 3.64Å; H38-H58 AromaticContact CE1-NE2 3.5Å; H38-H58 PolarHBondContact CE1-NE2 2.96Å; H38-H58 AromaticContact ND1-CE1 3.39Å; H38-H58 PolarHBondContact ND1-CE1 3.12Å; H38-H58 AromaticContact ND1-NE2 3.75Å
59A97.5Very high97.7Very high8 Ų847.9 Ų47.97%0.06624%0.241CC..PPolyproline II helixtrans-63.9142.2169.400000110H31 P73 W75H31-A59 VanDerWaalsContact CE1-CB 3.49Å; H31-A59 WeakPolarHBondContact CE1-CB 3.4Å; H31-A59 PolarHBondContact NE2-N 3.26Å; A59-P73 HydrophobicContact CB-CB 4.29Å; A59-W75 HydrophobicContact CB-CD2 3.74Å; A59-W75 HydrophobicContact CB-CE3 4Å; A59-W75 HydrophobicContact CB-CG 4.19Å; A59-W75 HydrophobicContact CB-CH2 4.13Å; A59-W75 HydrophobicContact CB-CZ2 3.92Å; A59-W75 HydrophobicContact CB-CZ3 4.19Å
60P96.3Very high97.7Very high64 Ų6449.5 Ų49.542%0.41626%0.256SS..PPolyproline II helixtrans-63.5154.4173.829.2-35.1000110.7I62 P73 A74P60-I62 HydrophobicContact CB-CG2 4.47Å; P60-I62 HydrophobicContact CG-CG2 4.37Å; P60-I62 PolarHBondContact O-N 3.27Å; P60-P73 WeakPolarHBondContact O-CA 3.34Å; P60-A74 PolarHBondContact O-N 3.14Å
61K97Very high97.7Very high151 Ų15152.8 Ų52.866%0.65727%0.27SS*.EExtended strand (participates in β ladder)trans-78.7117.2170.4-67.9-175.7-178.4179.30109.7L71 M72 P73K61-L71 HydrophobicContact CB-CD1 4.03Å; K61-L71 HydrophobicContact CB-CG 4.05Å; K61-M72 WeakPolarHBondContact CA-O 3.29Å; K61-P73 HydrophobicContact CG-CG 4.37Å
62I97.9Very high97.7Very high44 Ų4454 Ų5423%0.22628%0.276CS..EExtended strand (participates in β ladder)trans-132.5155.9177.463.2170.9000110.2P60 V64 M72 A74P60-I62 HydrophobicContact CB-CG2 4.47Å; P60-I62 HydrophobicContact CG-CG2 4.37Å; P60-I62 PolarHBondContact O-N 3.27Å; I62-V64 HydrophobicContact CG1-CG2 4.49Å; I62-M72 PolarHBondContact N-O 3.42Å; I62-M72 PolarHBondContact O-N 3.01Å; I62-M72 VanDerWaalsContact O-N 3.11Å; I62-A74 HydrophobicContact CD1-CB 3.92Å; I62-A74 HydrophobicContact CG1-CB 3.72Å
63P98.1Very high97.7Very high60 Ų6055.1 Ų55.139%0.3928%0.283SS..EExtended strand (participates in β ladder)trans-67.4130.9171.427.1-33.5000110.2R69 A70P63-R69 HydrophobicContact CB-CB 4.16Å; P63-R69 WeakPolarHBondContact CB-O 3.43Å; P63-A70 WeakPolarHBondContact CA-O 3.41Å
64V98.4Very high97.7Very high0 Ų053.7 Ų53.70%028%0.277CS..EExtended strand (participates in β ladder)trans-110.2117-179.1177.50000110.9L33 I62 L66 N67 R69 A70 M72 A74 D77 L78L33-V64 HydrophobicContact CD1-CG1 4.33Å; L33-V64 HydrophobicContact CD1-CG2 3.97Å; L33-V64 HydrophobicContact CD2-CG1 4.41Å; I62-V64 HydrophobicContact CG1-CG2 4.49Å; V64-L66 HydrophobicContact CG1-CB 4.26Å; V64-L66 PolarHBondContact O-N 2.96Å; V64-N67 HydrophobicContact CB-CB 4.41Å; V64-N67 HydrophobicContact CG1-CB 4.35Å; V64-N67 CarbonylContact O-C 3.58Å; V64-N67 PolarHBondContact O-N 2.97Å; V64-R69 WeakPolarHBondContact O-CA 3.34Å; V64-R69 PolarHBondContact O-N 3.35Å; V64-A70 PolarHBondContact N-O 2.84Å; V64-M72 HydrophobicContact CB-CG 4.29Å; V64-M72 HydrophobicContact CB-SD 4.36Å; V64-M72 HydrophobicContact CG2-CG 3.66Å; V64-M72 HydrophobicContact CG2-SD 4.21Å; V64-A74 HydrophobicContact CG2-CB 3.65Å; V64-D77 WeakPolarHBondContact CA-OD1 3.26Å; V64-L78 HydrophobicContact CG1-CB 4.16Å
65T98.1Very high97.7Very high56 Ų5654.3 Ų54.334%0.34428%0.279SS..G310 helixtrans-59.7-43.7-173.8-68.10000112.4N67 M68 D77 M79T65-N67 PolarHBondContact O-N 3.32Å; T65-N67 VanDerWaalsContact O-N 3.14Å; T65-M68 PolarHBondContact O-N 2.91Å; T65-D77 WeakPolarHBondContact CB-OD2 3.5Å; T65-D77 PolarHBondContact N-OD1 3.24Å; T65-D77 PolarHBondContact OG1-OD1 2.96Å; T65-D77 PolarHBondContact OG1-OD2 3.34Å; T65-M79 HydrophobicContact CG2-CB 4.43Å; T65-M79 HydrophobicContact CG2-CG 3.99Å
66L96.6Very high97.7Very high64 Ų6454.4 Ų54.434%0.33528%0.28SS..G310 helixtrans-55.3-32.3175.7-177.267.7000112.4V64 L78 L81V64-L66 HydrophobicContact CG1-CB 4.26Å; V64-L66 PolarHBondContact O-N 2.96Å; L66-L78 WeakPolarHBondContact CB-O 3.35Å; L66-L78 HydrophobicContact CD2-CD2 3.66Å; L66-L78 HydrophobicContact CD2-CG 4.08Å; L66-L78 PolarHBondContact N-O 2.99Å; L66-L81 HydrophobicContact CD1-CG 4.45Å; L66-L81 HydrophobicContact CD2-CD1 4.09Å; L66-L81 HydrophobicContact CD2-CD2 3.89Å; L66-L81 HydrophobicContact CD2-CG 3.78Å
67N96.6Very high97.7Very high59 Ų5955.6 Ų55.632%0.31629%0.286SS..G310 helixtrans-104.841.3-177.6-68.1-20000111.9V64 T65 R69 A70 M72V64-N67 HydrophobicContact CB-CB 4.41Å; V64-N67 HydrophobicContact CG1-CB 4.35Å; V64-N67 CarbonylContact O-C 3.58Å; V64-N67 PolarHBondContact O-N 2.97Å; T65-N67 PolarHBondContact O-N 3.32Å; T65-N67 VanDerWaalsContact O-N 3.14Å; N67-R69 PolarHBondContact O-N 2.75Å; N67-R69 VanDerWaalsContact O-N 3.15Å; N67-A70 HydrophobicContact CB-CB 4.47Å; N67-A70 VanDerWaalsContact O-CB 3.22Å; N67-A70 WeakPolarHBondContact O-CB 3.32Å; N67-A70 PolarHBondContact O-N 2.85Å; N67-M72 HydrophobicContact CB-CE 3.8Å; N67-M72 HydrophobicContact CB-SD 4.35Å; N67-M72 WeakPolarHBondContact ND2-CE 3.26Å; N67-M72 PolarHBondContact ND2-SD 2.8Å
68M97Very high97.6Very high180 Ų18056.4 Ų56.489%0.88729%0.29SS*.THydrogen-bonded Turntrans55.334.3178-58.4177.1-76.600113.4T65 A70T65-M68 PolarHBondContact O-N 2.91Å; M68-A70 PolarHBondContact O-N 2.8Å
69R97.2Very high97.5Very high172 Ų17258 Ų5865%0.64930%0.299SS*.THydrogen-bonded Turntrans60.922.6-176.3-44.9-162.392-179.97.6114.7P63 V64 N67P63-R69 HydrophobicContact CB-CB 4.16Å; P63-R69 WeakPolarHBondContact CB-O 3.43Å; V64-R69 WeakPolarHBondContact O-CA 3.34Å; V64-R69 PolarHBondContact O-N 3.35Å; N67-R69 PolarHBondContact O-N 2.75Å; N67-R69 VanDerWaalsContact O-N 3.15Å
70A97.6Very high97.3Very high44 Ų4458.3 Ų58.336%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-59.3139.1172.100000111P63 V64 N67 M68 M72P63-A70 WeakPolarHBondContact CA-O 3.41Å; V64-A70 PolarHBondContact N-O 2.84Å; N67-A70 HydrophobicContact CB-CB 4.47Å; N67-A70 VanDerWaalsContact O-CB 3.22Å; N67-A70 WeakPolarHBondContact O-CB 3.32Å; N67-A70 PolarHBondContact O-N 2.85Å; M68-A70 PolarHBondContact O-N 2.8Å; A70-M72 HydrophobicContact CB-CE 3.84Å; A70-M72 PolarHBondContact O-N 2.79Å
71L98.1Very high96.9Very high122 Ų12258.8 Ų58.864%0.63930%0.302SS*.EExtended strand (participates in β ladder)trans-79.4113.1179.3-175.270000110K61K61-L71 HydrophobicContact CB-CD1 4.03Å; K61-L71 HydrophobicContact CB-CG 4.05Å
72M97.9Very high96.6Very high41 Ų4154.4 Ų54.420%0.20229%0.29CS..EExtended strand (participates in β ladder)trans-150.4162.4-178.961.3-177.660.600112L33 K61 I62 V64 N67 A70 A74L33-M72 HydrophobicContact CD1-CG 4.33Å; L33-M72 HydrophobicContact CD1-SD 4.03Å; L33-M72 HydrophobicContact CG-SD 4.3Å; K61-M72 WeakPolarHBondContact CA-O 3.29Å; I62-M72 PolarHBondContact N-O 3.42Å; I62-M72 PolarHBondContact O-N 3.01Å; I62-M72 VanDerWaalsContact O-N 3.11Å; V64-M72 HydrophobicContact CB-CG 4.29Å; V64-M72 HydrophobicContact CB-SD 4.36Å; V64-M72 HydrophobicContact CG2-CG 3.66Å; V64-M72 HydrophobicContact CG2-SD 4.21Å; N67-M72 HydrophobicContact CB-CE 3.8Å; N67-M72 HydrophobicContact CB-SD 4.35Å; N67-M72 WeakPolarHBondContact ND2-CE 3.26Å; N67-M72 PolarHBondContact ND2-SD 2.8Å; A70-M72 HydrophobicContact CB-CE 3.84Å; A70-M72 PolarHBondContact O-N 2.79Å; M72-A74 PolarHBondContact O-N 2.89Å; M72-A74 VanDerWaalsContact O-N 3.16Å
73P98Very high95.8Very high23 Ų2354.7 Ų54.715%0.14929%0.294CS..EExtended strand (participates in β ladder)trans-58117173.8-23.934.7000111.3G34 D35 A59 P60 K61G34-P73 PolarHBondContact N-O 2.93Å; D35-P73 WeakPolarHBondContact O-CB 3.43Å; A59-P73 HydrophobicContact CB-CB 4.29Å; P60-P73 WeakPolarHBondContact O-CA 3.34Å; K61-P73 HydrophobicContact CG-CG 4.37Å
74A98.3Very high95.4Very high0 Ų057.7 Ų57.70%031%0.307CS..  trans-152.8143.4176.100000110.5L33 P60 I62 V64 M72L33-A74 HydrophobicContact CD1-CB 3.49Å; L33-A74 VanDerWaalsContact CD1-CB 3.49Å; P60-A74 PolarHBondContact O-N 3.14Å; I62-A74 HydrophobicContact CD1-CB 3.92Å; I62-A74 HydrophobicContact CG1-CB 3.72Å; V64-A74 HydrophobicContact CG2-CB 3.65Å; M72-A74 PolarHBondContact O-N 2.89Å; M72-A74 VanDerWaalsContact O-N 3.16Å
75W98.5Very high95.1Very high14 Ų1458.9 Ų58.95%0.05332%0.316CS..SBendtrans-75.6-34.9-178.7-65107.1000112.5L10 L30 H31 P57 A59 A95 I99 Q123 L127L10-W75 HydrophobicContact CD1-CZ3 4.14Å; L10-W75 HydrophobicContact CD2-CZ3 4.43Å; L30-W75 HydrophobicContact CB-CZ2 3.94Å; L30-W75 HydrophobicContact CD2-CH2 3.98Å; L30-W75 HydrophobicContact CD2-CZ2 3.94Å; L30-W75 HydrophobicContact CG-CZ2 4.45Å; H31-W75 AromaticContact CD2-CZ2 3.93Å; H31-W75 AromaticContact NE2-CZ2 3.98Å; H31-W75 PolarHBondContact O-NE1 3.16Å; P57-W75 HydrophobicContact CB-CH2 4.01Å; P57-W75 HydrophobicContact CG-CH2 3.77Å; P57-W75 HydrophobicContact CG-CZ2 4.46Å; A59-W75 HydrophobicContact CB-CD2 3.74Å; A59-W75 HydrophobicContact CB-CE3 4Å; A59-W75 HydrophobicContact CB-CG 4.19Å; A59-W75 HydrophobicContact CB-CH2 4.13Å; A59-W75 HydrophobicContact CB-CZ2 3.92Å; A59-W75 HydrophobicContact CB-CZ3 4.19Å; W75-A95 WeakPolarHBondContact O-CB 3.33Å; W75-I99 HydrophobicContact CZ3-CD1 4.06Å; W75-Q123 HydrophobicContact CB-CG 4.49Å; W75-L127 HydrophobicContact CB-CD2 3.75Å; W75-L127 HydrophobicContact CD2-CD2 3.9Å; W75-L127 HydrophobicContact CE3-CD2 3.95Å; W75-L127 HydrophobicContact CG-CD2 3.82Å
76F98.6Very high95.1Very high4 Ų460.7 Ų60.72%0.01833%0.328CS..SBendtrans-154.5164.2178.352.8-95.1000109I92 Q123 L127 W148F76-I92 HydrophobicContact CB-CG1 4.01Å; F76-I92 HydrophobicContact CD1-CG1 3.78Å; F76-I92 HydrophobicContact CD2-CD1 4.13Å; F76-I92 HydrophobicContact CD2-CG1 3.55Å; F76-I92 HydrophobicContact CE1-CG1 4.07Å; F76-I92 HydrophobicContact CE2-CD1 4.16Å; F76-I92 HydrophobicContact CE2-CG1 3.86Å; F76-I92 HydrophobicContact CG-CG1 3.5Å; F76-I92 HydrophobicContact CZ-CG1 4.11Å; F76-Q123 HydrophobicContact CD1-CG 4.23Å; F76-Q123 HydrophobicContact CE1-CG 3.59Å; F76-Q123 HydrophobicContact CE2-CG 4.02Å; F76-Q123 HydrophobicContact CZ-CG 3.47Å; F76-Q123 VanDerWaalsContact CZ-CG 3.47Å; F76-Q123 PolarHBondContact O-NE2 3.19Å; F76-L127 HydrophobicContact CE1-CB 4.19Å; F76-W148 HydrophobicContact CE2-CZ2 4.36Å; F76-W148 HydrophobicContact CZ-CZ2 4.2Å
77D98.4Very high95.1Very high26 Ų2660.4 Ų60.414%0.13933%0.325CS..  trans-68.6136.2179.6-169.215.8000110.9V64 T65 D88V64-D77 WeakPolarHBondContact CA-OD1 3.26Å; T65-D77 WeakPolarHBondContact CB-OD2 3.5Å; T65-D77 PolarHBondContact N-OD1 3.24Å; T65-D77 PolarHBondContact OG1-OD1 2.96Å; T65-D77 PolarHBondContact OG1-OD2 3.34Å; D77-D88 HydrophobicContact CB-CB 3.97Å; D77-D88 WeakPolarHBondContact CB-OD2 3.31Å; D77-D88 PolarHBondContact N-OD2 3.19Å; D77-D88 WeakPolarHBondContact O-CB 3.42Å
78L96.4Very high95.2Very high16 Ų1659.5 Ų59.58%0.08432%0.32CS..BIsolated β-bridgetrans-111.7121.1178.2-167.765.3000107.8L33 V64 L66 L81 W148L33-L78 HydrophobicContact CD2-CD2 3.98Å; V64-L78 HydrophobicContact CG1-CB 4.16Å; L66-L78 WeakPolarHBondContact CB-O 3.35Å; L66-L78 HydrophobicContact CD2-CD2 3.66Å; L66-L78 HydrophobicContact CD2-CG 4.08Å; L66-L78 PolarHBondContact N-O 2.99Å; L78-L81 HydrophobicContact CD2-CD2 3.92Å; L78-W148 HydrophobicContact CD1-CH2 4.07Å; L78-W148 HydrophobicContact CD1-CZ2 3.9Å
79M95.3Very high95.3Very high70 Ų7055.8 Ų55.835%0.34530%0.301SS..  trans-106.8-15.3-175.1-67.7171.6-96.900113.3T65 P86 D88T65-M79 HydrophobicContact CG2-CB 4.43Å; T65-M79 HydrophobicContact CG2-CG 3.99Å; M79-P86 HydrophobicContact CE-CB 4.43Å; M79-P86 HydrophobicContact SD-CB 4.07Å; M79-D88 HydrophobicContact CE-CB 3.87Å
80G92.6Very high95.3Very high15 Ų1551.1 Ų51.116%0.15530%0.299CS..  trans-171.2170-179.400000112.3S85G80-S85 WeakPolarHBondContact CA-OG 3.4Å
81L89.2Confident95.4Very high74 Ų7449.7 Ų49.739%0.38729%0.289SS..SBendtrans-119.927.6-179.2-61.8176.1000111.6L66 L78 M177 F182L66-L81 HydrophobicContact CD1-CG 4.45Å; L66-L81 HydrophobicContact CD2-CD1 4.09Å; L66-L81 HydrophobicContact CD2-CD2 3.89Å; L66-L81 HydrophobicContact CD2-CG 3.78Å; L78-L81 HydrophobicContact CD2-CD2 3.92Å; L81-M177 HydrophobicContact CD1-CE 4.42Å; L81-F182 WeakPolarHBondContact O-CE2 3.09Å
82S88.8Confident95.4Very high58 Ų5843.9 Ų43.941%0.40626%0.258SS..SBendtrans-117157.8173.877.20000110.9D84 S85S82-D84 PolarHBondContact O-N 3.07Å; S82-D84 VanDerWaalsContact O-N 3.14Å; S82-S85 PolarHBondContact N-OG 3.37Å; S82-S85 VanDerWaalsContact N-OG 3.11Å; S82-S85 VanDerWaalsContact O-CB 3.25Å; S82-S85 WeakPolarHBondContact O-CB 3.11Å; S82-S85 PolarHBondContact O-N 2.8Å; S82-S85 PolarHBondContact O-OG 3.09Å; S82-S85 PolarHBondContact OG-N 3.1Å; S82-S85 PolarHBondContact OG-OG 2.88Å
83P82.5Confident95.4Very high50 Ų5046.3 Ų46.333%0.32527%0.268SS..THydrogen-bonded Turntrans-66.4-17.8-178.9-19.235.5000113.3F182 M185P83-F182 HydrophobicContact CG-CD1 3.81Å; P83-F182 HydrophobicContact CG-CD2 4.5Å; P83-F182 HydrophobicContact CG-CE1 3.36Å; P83-F182 HydrophobicContact CG-CE2 4.09Å; P83-F182 HydrophobicContact CG-CG 4.4Å; P83-F182 HydrophobicContact CG-CZ 3.56Å; P83-M185 HydrophobicContact CB-CE 4.4Å
84D89.1Confident95.5Very high123 Ų12352.3 Ų52.366%0.65829%0.292SS*.THydrogen-bonded Turntrans-101.22.2178.3-63.5-51.7000112.8S82 R153S82-D84 PolarHBondContact O-N 3.07Å; S82-D84 VanDerWaalsContact O-N 3.14Å; D84-R153 IonicContact OD1-NH2 3.95Å; D84-R153 PolarHBondContact OD1-NH2 3.37Å
85S93.3Very high95.5Very high26 Ų2652.6 Ų52.618%0.18229%0.294CS..SBendtrans-63.4140.9175.4-66.80000110.2G80 S82G80-S85 WeakPolarHBondContact CA-OG 3.4Å; S82-S85 PolarHBondContact N-OG 3.37Å; S82-S85 VanDerWaalsContact N-OG 3.11Å; S82-S85 VanDerWaalsContact O-CB 3.25Å; S82-S85 WeakPolarHBondContact O-CB 3.11Å; S82-S85 PolarHBondContact O-N 2.8Å; S82-S85 PolarHBondContact O-OG 3.09Å; S82-S85 PolarHBondContact OG-N 3.1Å; S82-S85 PolarHBondContact OG-OG 2.88Å
86P96.3Very high95.5Very high93 Ų9351.9 Ų51.960%0.60429%0.291SS*.  trans-56.2141.5169.5-23.633.9000111.3M79M79-P86 HydrophobicContact CE-CB 4.43Å; M79-P86 HydrophobicContact SD-CB 4.07Å
87E97.9Very high95.4Very high59 Ų5956.8 Ų56.828%0.27631%0.314SS..BIsolated β-bridgetrans-116.1146178.4-67-172.6104.500111E89 I92 W148 P150 L151E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 2.93Å; E87-I92 HydrophobicContact CB-CD1 4.04Å; E87-W148 PolarHBondContact OE1-NE1 2.96Å; E87-P150 WeakPolarHBondContact OE1-CA 3.32Å; E87-P150 VanDerWaalsContact OE1-CB 3.24Å; E87-P150 WeakPolarHBondContact OE1-CB 3.3Å; E87-L151 HydrophobicContact CB-CD2 3.9Å; E87-L151 PolarHBondContact OE1-N 2.82Å; E87-L151 VanDerWaalsContact OE2-CA 3.31Å; E87-L151 WeakPolarHBondContact OE2-CA 3.39Å; E87-L151 PolarHBondContact OE2-N 2.88Å
88D98.1Very high95.4Very high39 Ų3958.9 Ų58.921%0.20933%0.325CS..  trans-76.974.8178.3178.813.1000110.5D77 M79 A90 G91 I92D77-D88 HydrophobicContact CB-CB 3.97Å; D77-D88 WeakPolarHBondContact CB-OD2 3.31Å; D77-D88 PolarHBondContact N-OD2 3.19Å; D77-D88 WeakPolarHBondContact O-CB 3.42Å; M79-D88 HydrophobicContact CE-CB 3.87Å; D88-A90 PolarHBondContact O-N 3.28Å; D88-G91 PolarHBondContact O-N 3.38Å; D88-G91 VanDerWaalsContact O-N 3.16Å; D88-G91 PolarHBondContact OD1-N 3.37Å; D88-G91 VanDerWaalsContact OD2-CA 3.31Å; D88-G91 WeakPolarHBondContact OD2-CA 3.31Å; D88-I92 WeakPolarHBondContact O-CB 3.43Å; D88-I92 WeakPolarHBondContact O-CD1 3.3Å; D88-I92 VanDerWaalsContact O-CG1 3.23Å; D88-I92 WeakPolarHBondContact O-CG1 3.48Å; D88-I92 PolarHBondContact O-N 3.11Å
89E98.5Very high95.5Very high103 Ų10358.1 Ų58.148%0.48132%0.321SS..Hα-helixtrans-54.1-42-175.7175.8173176.800112.5E87 K93 L151E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 2.93Å; E89-K93 HydrophobicContact CG-CD 4.08Å; E89-K93 WeakPolarHBondContact O-CB 3.31Å; E89-K93 WeakPolarHBondContact O-CG 3.3Å; E89-K93 PolarHBondContact O-N 2.62Å; E89-K93 WeakPolarHBondContact OE1-CE 3.38Å; E89-K93 IonicContact OE1-NZ 2.62Å; E89-K93 PolarHBondContact OE1-NZ 3.04Å; E89-L151 HydrophobicContact CB-CD1 4.19Å; E89-L151 HydrophobicContact CB-CD2 3.94Å; E89-L151 HydrophobicContact CG-CD1 3.81Å; E89-L151 HydrophobicContact CG-CD2 4.3Å
90A98.5Very high95.6Very high74 Ų7456.1 Ų56.161%0.61231%0.31SS*.Hα-helixtrans-67.3-44.6179.800000111.7D88 K94D88-A90 PolarHBondContact O-N 3.28Å; A90-K94 VanDerWaalsContact O-CB 3.3Å; A90-K94 WeakPolarHBondContact O-CB 3.34Å; A90-K94 PolarHBondContact O-N 3.44Å
91G98.6Very high95.8Very high14 Ų1456.9 Ų56.914%0.14432%0.316CS..Hα-helixtrans-66.1-42.2176.700000112.9D88 K93 K94 A95D88-G91 PolarHBondContact O-N 3.38Å; D88-G91 VanDerWaalsContact O-N 3.16Å; D88-G91 PolarHBondContact OD1-N 3.37Å; D88-G91 VanDerWaalsContact OD2-CA 3.31Å; D88-G91 WeakPolarHBondContact OD2-CA 3.31Å; G91-K93 PolarHBondContact O-N 2.95Å; G91-K94 PolarHBondContact O-N 3.24Å; G91-A95 VanDerWaalsContact O-CB 3.26Å; G91-A95 WeakPolarHBondContact O-CB 3.41Å; G91-A95 PolarHBondContact O-N 2.95Å
92I98.8Very high96.2Very high0 Ų053.4 Ų53.40%030%0.297CS..Hα-helixtrans-58.9-49.8176-68.9158.7000110.3F76 E87 D88 A95 A96 Y130 P150 L151F76-I92 HydrophobicContact CB-CG1 4.01Å; F76-I92 HydrophobicContact CD1-CG1 3.78Å; F76-I92 HydrophobicContact CD2-CD1 4.13Å; F76-I92 HydrophobicContact CD2-CG1 3.55Å; F76-I92 HydrophobicContact CE1-CG1 4.07Å; F76-I92 HydrophobicContact CE2-CD1 4.16Å; F76-I92 HydrophobicContact CE2-CG1 3.86Å; F76-I92 HydrophobicContact CG-CG1 3.5Å; F76-I92 HydrophobicContact CZ-CG1 4.11Å; E87-I92 HydrophobicContact CB-CD1 4.04Å; D88-I92 WeakPolarHBondContact O-CB 3.43Å; D88-I92 WeakPolarHBondContact O-CD1 3.3Å; D88-I92 VanDerWaalsContact O-CG1 3.23Å; D88-I92 WeakPolarHBondContact O-CG1 3.48Å; D88-I92 PolarHBondContact O-N 3.11Å; I92-A95 PolarHBondContact O-N 3.36Å; I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 3.26Å; I92-Y130 HydrophobicContact CG2-CD1 3.75Å; I92-Y130 HydrophobicContact CG2-CD2 4.15Å; I92-Y130 HydrophobicContact CG2-CE1 3.96Å; I92-Y130 HydrophobicContact CG2-CE2 4.36Å; I92-Y130 HydrophobicContact CG2-CG 3.85Å; I92-P150 HydrophobicContact CD1-CB 3.97Å; I92-P150 HydrophobicContact CG2-CG 4.31Å; I92-L151 HydrophobicContact CB-CD1 4.44Å; I92-L151 HydrophobicContact CD1-CD1 4.38Å; I92-L151 HydrophobicContact CD1-CD2 4.22Å; I92-L151 HydrophobicContact CD1-CG 4.05Å; I92-L151 HydrophobicContact CG2-CD1 4.15Å
93K98.6Very high96.6Very high91 Ų9150.6 Ų50.640%0.39628%0.278SS..Hα-helixtrans-60.7-47.1177.6-77.4174173.1175.70111.7E89 G91 A95 A96 E97 Y130E89-K93 HydrophobicContact CG-CD 4.08Å; E89-K93 WeakPolarHBondContact O-CB 3.31Å; E89-K93 WeakPolarHBondContact O-CG 3.3Å; E89-K93 PolarHBondContact O-N 2.62Å; E89-K93 WeakPolarHBondContact OE1-CE 3.38Å; E89-K93 IonicContact OE1-NZ 2.62Å; E89-K93 PolarHBondContact OE1-NZ 3.04Å; G91-K93 PolarHBondContact O-N 2.95Å; K93-A95 VanDerWaalsContact C-N 3.35Å; K93-A95 PolarHBondContact O-N 3.33Å; K93-A96 PolarHBondContact O-N 2.87Å; K93-E97 WeakPolarHBondContact O-CG 3.45Å; K93-E97 PolarHBondContact O-N 3.39Å; K93-Y130 WeakPolarHBondContact CE-OH 3.46Å; K93-Y130 HydrophobicContact CG-CE1 4.26Å; K93-Y130 WeakPolarHBondContact CG-OH 3.46Å
94K98.4Very high97.3Very high150 Ų15052.3 Ų52.365%0.65228%0.281SS*.Hα-helixtrans-60.7-44.1178-177.9179.6178.7-177.70111.9A90 G91 A96 E97 N98A90-K94 VanDerWaalsContact O-CB 3.3Å; A90-K94 WeakPolarHBondContact O-CB 3.34Å; A90-K94 PolarHBondContact O-N 3.44Å; G91-K94 PolarHBondContact O-N 3.24Å; K94-A96 VanDerWaalsContact C-N 3.33Å; K94-E97 PolarHBondContact O-N 2.91Å; K94-N98 PolarHBondContact O-N 3.46Å; K94-N98 VanDerWaalsContact O-N 3.11Å; K94-N98 PolarHBondContact O-ND2 3.43Å
95A98.4Very high97.7Very high5 Ų548.6 Ų48.64%0.04126%0.26CS..Hα-helixtrans-63.5-41.3177.600000111W75 G91 I92 K93 E97 N98 I99 L127W75-A95 WeakPolarHBondContact O-CB 3.33Å; G91-A95 VanDerWaalsContact O-CB 3.26Å; G91-A95 WeakPolarHBondContact O-CB 3.41Å; G91-A95 PolarHBondContact O-N 2.95Å; I92-A95 PolarHBondContact O-N 3.36Å; K93-A95 VanDerWaalsContact C-N 3.35Å; K93-A95 PolarHBondContact O-N 3.33Å; A95-E97 PolarHBondContact O-N 3.2Å; A95-N98 WeakPolarHBondContact O-CB 3.37Å; A95-N98 PolarHBondContact O-N 3.05Å; A95-N98 VanDerWaalsContact O-N 3.15Å; A95-I99 WeakPolarHBondContact O-CG1 2.87Å; A95-I99 PolarHBondContact O-N 3.15Å; A95-L127 HydrophobicContact CB-CD1 3.86Å; A95-L127 HydrophobicContact CB-CD2 3.68Å; A95-L127 HydrophobicContact CB-CG 4.47Å
96A98.6Very high98Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-61.9-41.9177.500000112.1I92 K93 K94 N98 I99 K100 L127 Y130 T131I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 3.26Å; K93-A96 PolarHBondContact O-N 2.87Å; K94-A96 VanDerWaalsContact C-N 3.33Å; A96-N98 VanDerWaalsContact C-N 3.33Å; A96-N98 PolarHBondContact O-N 3.43Å; A96-I99 PolarHBondContact O-N 3.04Å; A96-K100 WeakPolarHBondContact O-CG 3.37Å; A96-K100 PolarHBondContact O-N 2.71Å; A96-L127 HydrophobicContact CB-CD1 4.08Å; A96-Y130 HydrophobicContact CB-CD1 3.74Å; A96-Y130 HydrophobicContact CB-CE1 3.97Å; A96-T131 WeakPolarHBondContact CA-OG1 3.48Å; A96-T131 WeakPolarHBondContact CB-OG1 3.46Å
97E97.9Very high98Very high107 Ų10744.9 Ų44.950%0.524%0.238SC..Hα-helixtrans-62.7-38.6174-65.9-49.9125.200112.3K93 K94 A95 I99 K100 A101K93-E97 WeakPolarHBondContact O-CG 3.45Å; K93-E97 PolarHBondContact O-N 3.39Å; K94-E97 PolarHBondContact O-N 2.91Å; A95-E97 PolarHBondContact O-N 3.2Å; E97-I99 VanDerWaalsContact C-N 3.3Å; E97-I99 PolarHBondContact O-N 2.59Å; E97-K100 PolarHBondContact O-N 2.86Å; E97-K100 WeakPolarHBondContact OE1-CD 3.24Å; E97-K100 IonicContact OE1-NZ 2.72Å; E97-K100 PolarHBondContact OE1-NZ 3.49Å; E97-A101 PolarHBondContact O-N 3.07Å
98N97.4Very high98Very high69 Ų6948.1 Ų48.137%0.36925%0.248SC..Hα-helixtrans-62.6-37.8174.5-65-29.9000112.1L10 K94 A95 A96 A101 I102L10-N98 HydrophobicContact CD1-CB 3.7Å; K94-N98 PolarHBondContact O-N 3.46Å; K94-N98 VanDerWaalsContact O-N 3.11Å; K94-N98 PolarHBondContact O-ND2 3.43Å; A95-N98 WeakPolarHBondContact O-CB 3.37Å; A95-N98 PolarHBondContact O-N 3.05Å; A95-N98 VanDerWaalsContact O-N 3.15Å; A96-N98 VanDerWaalsContact C-N 3.33Å; A96-N98 PolarHBondContact O-N 3.43Å; N98-A101 WeakPolarHBondContact O-CB 3.08Å; N98-A101 PolarHBondContact O-N 2.69Å; N98-I102 PolarHBondContact O-N 3.47Å
99I98.3Very high97.9Very high0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-73.2-36.7176.2-56.2-52.5000111.5L10 I28 L30 W75 A95 A96 E97 A101 I102 I103 I118 L127 T131L10-I99 HydrophobicContact CD1-CD1 3.91Å; I28-I99 HydrophobicContact CG2-CG2 4.38Å; L30-I99 HydrophobicContact CD1-CD1 4.13Å; L30-I99 HydrophobicContact CD1-CG1 3.97Å; L30-I99 HydrophobicContact CD2-CD1 3.68Å; L30-I99 HydrophobicContact CD2-CG1 4.38Å; W75-I99 HydrophobicContact CZ3-CD1 4.06Å; A95-I99 WeakPolarHBondContact O-CG1 2.87Å; A95-I99 PolarHBondContact O-N 3.15Å; A96-I99 PolarHBondContact O-N 3.04Å; E97-I99 VanDerWaalsContact C-N 3.3Å; E97-I99 PolarHBondContact O-N 2.59Å; I99-A101 PolarHBondContact O-N 3.41Å; I99-I102 HydrophobicContact CD1-CD1 4.03Å; I99-I102 WeakPolarHBondContact O-CB 3.32Å; I99-I102 PolarHBondContact O-N 2.87Å; I99-I103 PolarHBondContact O-N 3.15Å; I99-I103 VanDerWaalsContact O-N 3.1Å; I99-I118 HydrophobicContact CG2-CD1 3.51Å; I99-I118 HydrophobicContact CG2-CG1 4.46Å; I99-L127 HydrophobicContact CG1-CD2 3.98Å; I99-L127 HydrophobicContact CG1-CG 4.43Å; I99-T131 HydrophobicContact CB-CG2 4.07Å; I99-T131 HydrophobicContact CG2-CG2 4.07Å
100K97.8Very high97.8Very high28 Ų2849 Ų4912%0.12227%0.27CS..Hα-helixtrans-58.9-37.1171.1-70.6172-166.91720111.6A96 E97 I102 I103 E104 T131 T134A96-K100 WeakPolarHBondContact O-CG 3.37Å; A96-K100 PolarHBondContact O-N 2.71Å; E97-K100 PolarHBondContact O-N 2.86Å; E97-K100 WeakPolarHBondContact OE1-CD 3.24Å; E97-K100 IonicContact OE1-NZ 2.72Å; E97-K100 PolarHBondContact OE1-NZ 3.49Å; K100-I102 VanDerWaalsContact C-N 3.29Å; K100-I102 PolarHBondContact O-N 3.44Å; K100-I103 WeakPolarHBondContact O-CB 3.25Å; K100-I103 PolarHBondContact O-N 3.39Å; K100-I103 VanDerWaalsContact O-N 3.11Å; K100-E104 WeakPolarHBondContact O-CG 3.33Å; K100-E104 PolarHBondContact O-N 3.41Å; K100-T131 HydrophobicContact CG-CG2 3.96Å; K100-T134 PolarHBondContact NZ-O 3.49Å; K100-T134 PolarHBondContact NZ-OG1 3.43Å
101A97.1Very high97.8Very high32 Ų3245.7 Ų45.726%0.26424%0.242SC..Hα-helixtrans-62.7-32.917400000113.2V8 E97 N98 I99 H105V8-A101 HydrophobicContact CG1-CB 4.34Å; E97-A101 PolarHBondContact O-N 3.07Å; N98-A101 WeakPolarHBondContact O-CB 3.08Å; N98-A101 PolarHBondContact O-N 2.69Å; I99-A101 PolarHBondContact O-N 3.41Å; A101-H105 WeakPolarHBondContact O-CB 3.13Å; A101-H105 PolarHBondContact O-N 2.97Å
102I97.4Very high97.8Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-65.9-47.2171.2-58.6175.3000109.9V8 L10 L11 I28 I55 P57 N98 I99 K100 E104 H105 E106V8-I102 HydrophobicContact CG1-CG1 3.72Å; L10-I102 HydrophobicContact CB-CD1 4.03Å; L10-I102 HydrophobicContact CD1-CD1 4.27Å; L11-I102 HydrophobicContact CD1-CG2 4.33Å; L11-I102 HydrophobicContact CD2-CD1 4.48Å; L11-I102 HydrophobicContact CD2-CG1 4.34Å; L11-I102 HydrophobicContact CD2-CG2 3.83Å; L11-I102 HydrophobicContact CG-CG1 4.16Å; L11-I102 HydrophobicContact CG-CG2 4.25Å; I28-I102 HydrophobicContact CD1-CB 4.21Å; I28-I102 HydrophobicContact CD1-CG2 3.63Å; I28-I102 HydrophobicContact CG1-CG2 4.08Å; I55-I102 HydrophobicContact CD1-CG2 4.38Å; P57-I102 HydrophobicContact CB-CD1 4.28Å; P57-I102 HydrophobicContact CG-CD1 4.17Å; N98-I102 PolarHBondContact O-N 3.47Å; I99-I102 HydrophobicContact CD1-CD1 4.03Å; I99-I102 WeakPolarHBondContact O-CB 3.32Å; I99-I102 PolarHBondContact O-N 2.87Å; K100-I102 VanDerWaalsContact C-N 3.29Å; K100-I102 PolarHBondContact O-N 3.44Å; I102-E104 VanDerWaalsContact C-N 3.32Å; I102-E104 PolarHBondContact O-N 3Å; I102-H105 WeakPolarHBondContact O-CB 3.19Å; I102-H105 PolarHBondContact O-N 3.18Å; I102-H105 VanDerWaalsContact O-N 3.13Å; I102-E106 HydrophobicContact CG2-CG 4.46Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.97Å
103I97.8Very high97.8Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-56.2-46.7177.5-66.4163.9000110.8I28 I99 K100 E106 A107 P113 I116 T131 L139I28-I103 HydrophobicContact CD1-CG1 3.66Å; I99-I103 PolarHBondContact O-N 3.15Å; I99-I103 VanDerWaalsContact O-N 3.1Å; K100-I103 WeakPolarHBondContact O-CB 3.25Å; K100-I103 PolarHBondContact O-N 3.39Å; K100-I103 VanDerWaalsContact O-N 3.11Å; I103-E106 PolarHBondContact O-N 2.96Å; I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.13Å; I103-P113 HydrophobicContact CG2-CB 4.47Å; I103-I116 HydrophobicContact CG2-CD1 4.14Å; I103-T131 HydrophobicContact CD1-CG2 4.43Å; I103-L139 HydrophobicContact CD1-CD1 4.04Å; I103-L139 HydrophobicContact CD1-CD2 4.06Å; I103-L139 HydrophobicContact CG1-CD2 4.44Å; I103-L139 HydrophobicContact CG2-CD2 3.9Å
104E97.4Very high97.8Very high86 Ų8649.3 Ų49.340%0.40226%0.262SS..Hα-helixtrans-66.2-35.5177.6-72.3179.2-179.100113K100 I102 R108K100-E104 WeakPolarHBondContact O-CG 3.33Å; K100-E104 PolarHBondContact O-N 3.41Å; I102-E104 VanDerWaalsContact C-N 3.32Å; I102-E104 PolarHBondContact O-N 3Å; E104-R108 WeakPolarHBondContact O-CB 3.42Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å; E104-R108 PolarHBondContact O-N 3.42Å; E104-R108 PolarHBondContact O-NE 3.27Å
105H97.3Very high97.8Very high45 Ų4542.9 Ų42.921%0.20823%0.234CC..Hα-helixtrans-62.3-47.1173.1175.5-86.7000111.2V8 L11 A101 I102 A107 R108 N109V8-H105 HydrophobicContact CG2-CB 3.85Å; L11-H105 HydrophobicContact CD1-CB 4.03Å; L11-H105 WeakPolarHBondContact CD1-ND1 3.44Å; A101-H105 WeakPolarHBondContact O-CB 3.13Å; A101-H105 PolarHBondContact O-N 2.97Å; I102-H105 WeakPolarHBondContact O-CB 3.19Å; I102-H105 PolarHBondContact O-N 3.18Å; I102-H105 VanDerWaalsContact O-N 3.13Å; H105-A107 PolarHBondContact O-N 2.98Å; H105-R108 PolarHBondContact O-N 3.13Å; H105-N109 PolarHBondContact CE1-ND2 2.99Å; H105-N109 PolarHBondContact ND1-ND2 3.11Å; H105-N109 PolarHBondContact NE2-ND2 3.36Å; H105-N109 PolarHBondContact O-N 2.9Å; H105-N109 PolarHBondContact O-ND2 2.81Å
106E97.8Very high97.8Very high5 Ų542.7 Ų42.72%0.02323%0.232CC..Hα-helixtrans-63.4-41177.6-64.8-45.3121.200112.4K53 I55 I102 I103 R108 N109 G110 I111 I116K53-E106 WeakPolarHBondContact CE-OE2 3.3Å; K53-E106 IonicContact NZ-OE1 3.59Å; K53-E106 IonicContact NZ-OE2 3.64Å; K53-E106 PolarHBondContact NZ-OE2 3.15Å; I55-E106 HydrophobicContact CD1-CG 3.83Å; I102-E106 HydrophobicContact CG2-CG 4.46Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.97Å; I103-E106 PolarHBondContact O-N 2.96Å; E106-R108 PolarHBondContact O-N 3.44Å; E106-N109 CarbonylContact O-C 3.2Å; E106-N109 PolarHBondContact O-N 2.83Å; E106-N109 VanDerWaalsContact O-N 3.11Å; E106-G110 PolarHBondContact O-N 2.97Å; E106-I111 CarbonylContact C-O 3.58Å; E106-I111 HydrophobicContact CB-CB 4.44Å; E106-I111 PolarHBondContact O-N 3.06Å; E106-I116 HydrophobicContact CB-CD1 3.68Å
107A97.4Very high97.8Very high36 Ų3642.7 Ų42.730%0.29823%0.232SC..Hα-helixtrans-58.1-46.4173.900000112.4I103 H105 N109 G110 I111 P113I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 3.13Å; H105-A107 PolarHBondContact O-N 2.98Å; A107-N109 PolarHBondContact O-N 2.86Å; A107-G110 PolarHBondContact O-N 3.36Å; A107-I111 WeakPolarHBondContact CA-O 3.42Å; A107-I111 PolarHBondContact N-O 2.89Å; A107-P113 HydrophobicContact CB-CG 4.11Å
108R97.1Very high97.9Very high127 Ų12737.6 Ų37.648%0.47921%0.208SC..Hα-helixtrans-65.3-26.7177-75-177.2-68.5139.8-5.1113.1E104 H105 E106E104-R108 WeakPolarHBondContact O-CB 3.42Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å; E104-R108 PolarHBondContact O-N 3.42Å; E104-R108 PolarHBondContact O-NE 3.27Å; H105-R108 PolarHBondContact O-N 3.13Å; E106-R108 PolarHBondContact O-N 3.44Å
109N96.4Very high97.9Very high99 Ų9934.3 Ų34.353%0.52919%0.19SC..THydrogen-bonded Turntrans-95.214.3178.6-70.8-71.3000113.6H105 E106 A107H105-N109 PolarHBondContact CE1-ND2 2.99Å; H105-N109 PolarHBondContact ND1-ND2 3.11Å; H105-N109 PolarHBondContact NE2-ND2 3.36Å; H105-N109 PolarHBondContact O-N 2.9Å; H105-N109 PolarHBondContact O-ND2 2.81Å; E106-N109 CarbonylContact O-C 3.2Å; E106-N109 PolarHBondContact O-N 2.83Å; E106-N109 VanDerWaalsContact O-N 3.11Å; A107-N109 PolarHBondContact O-N 2.86Å
110G97.1Very high97.9Very high61 Ų6134.3 Ų34.363%0.62919%0.19SC*.THydrogen-bonded Turntrans99.14.716700000116E106 A107 P112E106-G110 PolarHBondContact O-N 2.97Å; A107-G110 PolarHBondContact O-N 3.36Å; G110-P112 WeakPolarHBondContact O-CD 3.42Å
111I98.6Very high98Very high5 Ų533.8 Ų33.83%0.02619%0.188CC..  trans-103.698.4170.9-60.2176.2000108.3E23 A26 K53 E106 A107 R115 I116E23-I111 HydrophobicContact CB-CD1 4.47Å; A26-I111 HydrophobicContact CB-CD1 4.13Å; A26-I111 HydrophobicContact CB-CG2 4.19Å; K53-I111 HydrophobicContact CD-CD1 3.94Å; K53-I111 HydrophobicContact CG-CD1 4.45Å; E106-I111 CarbonylContact C-O 3.58Å; E106-I111 HydrophobicContact CB-CB 4.44Å; E106-I111 PolarHBondContact O-N 3.06Å; A107-I111 WeakPolarHBondContact CA-O 3.42Å; A107-I111 PolarHBondContact N-O 2.89Å; I111-R115 HydrophobicContact CG2-CB 4.01Å; I111-I116 HydrophobicContact CG2-CD1 4.4Å; I111-I116 HydrophobicContact CG2-CG1 3.84Å
112P98.3Very high98.1Very high45 Ų4532.8 Ų32.829%0.29218%0.18SC..  trans-65.7154.3-174.729.2-36000111.5G110 H114 R115G110-P112 WeakPolarHBondContact O-CD 3.42Å; P112-H114 VanDerWaalsContact C-N 3.26Å; P112-H114 VanDerWaalsContact CB-CE1 3.48Å; P112-H114 WeakPolarHBondContact CB-CE1 3.27Å; P112-H114 VanDerWaalsContact CG-CE1 3.42Å; P112-H114 WeakPolarHBondContact CG-CE1 3.24Å; P112-H114 PolarHBondContact O-N 2.82Å; P112-H114 VanDerWaalsContact O-N 3.1Å; P112-R115 HydrophobicContact CG-CB 4.17Å; P112-R115 HydrophobicContact CG-CG 3.73Å; P112-R115 WeakPolarHBondContact O-CA 3.39Å; P112-R115 WeakPolarHBondContact O-CB 3.5Å; P112-R115 PolarHBondContact O-N 2.86Å
113P98.3Very high98.1Very high22 Ų2232.9 Ų32.914%0.14318%0.18CC..G310 helixtrans-55.7-34-174.5-29.235.9000115.5I103 A107 R115 I116 H137 Q138 L139I103-P113 HydrophobicContact CG2-CB 4.47Å; A107-P113 HydrophobicContact CB-CG 4.11Å; P113-R115 PolarHBondContact O-N 3.49Å; P113-I116 WeakPolarHBondContact O-CB 3.49Å; P113-I116 PolarHBondContact O-N 3.48Å; P113-H137 HydrophobicContact CB-CB 3.62Å; P113-H137 HydrophobicContact CG-CB 3.87Å; P113-Q138 CarbonylContact C-O 3.54Å; P113-L139 HydrophobicContact CB-CD2 4.19Å; P113-L139 WeakPolarHBondContact O-CA 3.26Å
114H98.3Very high98.2Very high114 Ų11432.9 Ų32.953%0.52818%0.18SC..G310 helixtrans-711.2176.166.7-97.3000113.5P112 Q138 A140P112-H114 VanDerWaalsContact C-N 3.26Å; P112-H114 VanDerWaalsContact CB-CE1 3.48Å; P112-H114 WeakPolarHBondContact CB-CE1 3.27Å; P112-H114 VanDerWaalsContact CG-CE1 3.42Å; P112-H114 WeakPolarHBondContact CG-CE1 3.24Å; P112-H114 PolarHBondContact O-N 2.82Å; P112-H114 VanDerWaalsContact O-N 3.1Å; H114-Q138 WeakPolarHBondContact CA-O 3.41Å; H114-Q138 PolarHBondContact N-O 3.19Å; H114-A140 WeakPolarHBondContact O-CB 3.38Å
115R98.7Very high98.2Very high15 Ų1528.8 Ų28.86%0.05716%0.161CC..G310 helixtrans-113.116170.1-63.5-71.2-67.5177.8-4.1112T24 A25 A26 I111 P112 P113 L227 P228T24-R115 WeakPolarHBondContact O-CB 3.4Å; T24-R115 PolarHBondContact O-NE 3.23Å; T24-R115 PolarHBondContact OG1-NH2 2.86Å; A25-R115 VanDerWaalsContact CA-O 3.26Å; A25-R115 WeakPolarHBondContact CA-O 3.41Å; A25-R115 HydrophobicContact CB-CB 4.3Å; A25-R115 WeakPolarHBondContact CB-O 3.3Å; A26-R115 PolarHBondContact N-O 2.86Å; I111-R115 HydrophobicContact CG2-CB 4.01Å; P112-R115 HydrophobicContact CG-CB 4.17Å; P112-R115 HydrophobicContact CG-CG 3.73Å; P112-R115 WeakPolarHBondContact O-CA 3.39Å; P112-R115 WeakPolarHBondContact O-CB 3.5Å; P112-R115 PolarHBondContact O-N 2.86Å; P113-R115 PolarHBondContact O-N 3.49Å; R115-L227 VanDerWaalsContact C-CD2 3.43Å; R115-L227 HydrophobicContact CB-CD2 4.37Å; R115-L227 WeakPolarHBondContact O-CD2 3.41Å; R115-P228 VanDerWaalsContact CZ-O 3.28Å; R115-P228 PolarHBondContact NH1-O 2.95Å; R115-P228 PolarHBondContact NH2-O 3.15Å
116I98.9Very high98.3Very high0 Ų026.6 Ų26.60%015%0.151CC..EExtended strand (participates in β ladder)trans-117.1121.7178.6-56.3178.8000109.3A26 I28 I103 E106 I111 P113 L139 A140A26-I116 HydrophobicContact CB-CG1 4.4Å; A26-I116 VanDerWaalsContact O-CA 3.32Å; A26-I116 WeakPolarHBondContact O-CA 3.44Å; I28-I116 HydrophobicContact CD1-CG2 3.84Å; I28-I116 HydrophobicContact CG1-CG2 4.25Å; I103-I116 HydrophobicContact CG2-CD1 4.14Å; E106-I116 HydrophobicContact CB-CD1 3.68Å; I111-I116 HydrophobicContact CG2-CD1 4.4Å; I111-I116 HydrophobicContact CG2-CG1 3.84Å; P113-I116 WeakPolarHBondContact O-CB 3.49Å; P113-I116 PolarHBondContact O-N 3.48Å; I116-L139 HydrophobicContact CB-CD2 4.33Å; I116-A140 WeakPolarHBondContact O-CB 3.47Å; I116-A140 PolarHBondContact O-N 3.38Å
117I98.9Very high98.4Very high0 Ų026.4 Ų26.40%015%0.15CC..EExtended strand (participates in β ladder)trans-96.1137.8163.6-70.5176.5000107.7A26 V27 I28 A140 G141 V143 F222 I223 L227A26-I117 PolarHBondContact O-N 3.38Å; V27-I117 CarbonylContact C-O 3.6Å; V27-I117 VanDerWaalsContact CA-O 3.3Å; V27-I117 WeakPolarHBondContact CA-O 3.31Å; V27-I117 HydrophobicContact CG2-CB 4.23Å; I28-I117 PolarHBondContact N-O 3.29Å; I117-A140 HydrophobicContact CG1-CB 3.97Å; I117-G141 WeakPolarHBondContact CA-O 3.45Å; I117-V143 HydrophobicContact CG2-CG2 3.99Å; I117-F222 HydrophobicContact CD1-CD1 4.09Å; I117-F222 HydrophobicContact CD1-CE1 3.93Å; I117-I223 HydrophobicContact CD1-CB 4.39Å; I117-I223 HydrophobicContact CD1-CG1 4.06Å; I117-L227 HydrophobicContact CB-CD1 4.31Å; I117-L227 HydrophobicContact CD1-CD1 3.65Å; I117-L227 HydrophobicContact CD1-CG 3.84Å; I117-L227 HydrophobicContact CG1-CD1 3.8Å; I117-L227 HydrophobicContact CG1-CG 4.09Å
118I98.8Very high98.4Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-107.3140.1167.4-171.6176.9000108.7I28 I99 T131 A132 L139 G141 V142 V143I28-I118 CarbonylContact O-C 3.52Å; I28-I118 WeakPolarHBondContact O-CA 3.39Å; I99-I118 HydrophobicContact CG2-CD1 3.51Å; I99-I118 HydrophobicContact CG2-CG1 4.46Å; I118-T131 HydrophobicContact CD1-CG2 3.87Å; I118-A132 HydrophobicContact CG2-CB 3.78Å; I118-L139 HydrophobicContact CB-CD1 4.49Å; I118-L139 HydrophobicContact CG2-CD1 3.85Å; I118-G141 PolarHBondContact N-O 3.05Å; I118-V142 HydrophobicContact CG2-CG1 4.36Å; I118-V142 HydrophobicContact CG2-CG2 4.12Å; I118-V142 CarbonylContact O-C 3.41Å; I118-V142 WeakPolarHBondContact O-CA 3.23Å; I118-V143 PolarHBondContact O-N 2.71Å
119G98.8Very high98.5Very high0 Ų018.6 Ų18.60%011%0.113CC..EExtended strand (participates in β ladder)trans-156.117517600000112.9I28 F29 L30 S128 V143I28-G119 PolarHBondContact O-N 3.14Å; F29-G119 CarbonylContact C-O 3.59Å; F29-G119 VanDerWaalsContact CA-O 3.23Å; F29-G119 WeakPolarHBondContact CA-O 3.26Å; L30-G119 PolarHBondContact N-O 3.2Å; G119-S128 PolarHBondContact O-OG 2.72Å; G119-V143 CarbonylContact C-O 3.54Å; G119-V143 WeakPolarHBondContact CA-O 3.43Å
120G98.8Very high98.6Very high0 Ų014.6 Ų14.60%09%0.09CC..EExtended strand (participates in β ladder)trans178.7174.7177.700000113.3L30 G125 V143 L145L30-G120 CarbonylContact O-C 3.55Å; L30-G120 WeakPolarHBondContact O-CA 3.35Å; G120-G125 VanDerWaalsContact C-N 3.29Å; G120-G125 VanDerWaalsContact O-CA 3.29Å; G120-G125 WeakPolarHBondContact O-CA 3.28Å; G120-V143 PolarHBondContact N-O 3.29Å; G120-L145 PolarHBondContact O-N 2.86Å
121F98.9Very high98.7Very high18 Ų1811.7 Ų11.78%0.0796%0.06CC..EExtended strand (participates in β ladder)trans-114.4139179.1177.4-96.5000111.2F29 L30 G32 W40 Q123 G124 G125 L145 H209F29-F121 HydrophobicContact CE1-CB 4.3Å; F29-F121 HydrophobicContact CZ-CB 4.4Å; L30-F121 PolarHBondContact O-N 2.9Å; G32-F121 WeakPolarHBondContact CA-O 3.44Å; W40-F121 HydrophobicContact CH2-CB 3.86Å; W40-F121 AromaticContact CH2-CD2 3.85Å; W40-F121 HydrophobicContact CH2-CD2 3.85Å; W40-F121 HydrophobicContact CH2-CG 4.01Å; W40-F121 HydrophobicContact CZ2-CB 3.22Å; W40-F121 AromaticContact CZ2-CD1 3.94Å; W40-F121 HydrophobicContact CZ2-CD1 3.94Å; W40-F121 AromaticContact CZ2-CD2 3.55Å; W40-F121 HydrophobicContact CZ2-CD2 3.55Å; W40-F121 HydrophobicContact CZ2-CE2 4.37Å; W40-F121 AromaticContact CZ2-CG 3.29Å; W40-F121 HydrophobicContact CZ2-CG 3.29Å; F121-Q123 PolarHBondContact O-N 3.49Å; F121-G124 PolarHBondContact O-N 2.83Å; F121-G125 PolarHBondContact O-N 3.16Å; F121-L145 CarbonylContact C-O 3.52Å; F121-L145 WeakPolarHBondContact CA-O 3.43Å; F121-L145 HydrophobicContact CB-CB 4.47Å; F121-L145 HydrophobicContact CD2-CB 3.98Å; F121-H209 AromaticContact CE1-CD2 3.87Å; F121-H209 AromaticContact CE1-CE1 3.98Å; F121-H209 AromaticContact CE1-NE2 3.53Å; F121-H209 AromaticContact CZ-CD2 3.76Å; F121-H209 AromaticContact CZ-CE1 3.75Å; F121-H209 AromaticContact CZ-CG 3.94Å; F121-H209 AromaticContact CZ-ND1 3.92Å; F121-H209 AromaticContact CZ-NE2 3.67Å
122S98.4Very high98.7Very high11 Ų1111.5 Ų11.58%0.0776%0.06CC..THydrogen-bonded Turntrans51.8-122.1176-171.50000111.3G124 G125 A126 L145 S146 C147 H209S122-G124 PolarHBondContact O-N 3.34Å; S122-G125 PolarHBondContact O-N 3.21Å; S122-A126 PolarHBondContact O-N 3.36Å; S122-L145 PolarHBondContact N-O 3.28Å; S122-S146 WeakPolarHBondContact CA-O 3.46Å; S122-C147 WeakPolarHBondContact O-CB 3.43Å; S122-H209 WeakPolarHBondContact CB-NE2 3.23Å; S122-H209 PolarHBondContact OG-CE1 2.91Å; S122-H209 PolarHBondContact OG-NE2 3.05Å; S122-H209 VanDerWaalsContact OG-NE2 3.12Å
123Q98.6Very high98.7Very high1 Ų19.5 Ų9.51%0.0055%0.046CC..Hα-helixtrans-54.3-37.6176.3-167.2-177.262.200113.5W75 F76 F121 A126 L127 W148W75-Q123 HydrophobicContact CB-CG 4.49Å; F76-Q123 HydrophobicContact CD1-CG 4.23Å; F76-Q123 HydrophobicContact CE1-CG 3.59Å; F76-Q123 HydrophobicContact CE2-CG 4.02Å; F76-Q123 HydrophobicContact CZ-CG 3.47Å; F76-Q123 VanDerWaalsContact CZ-CG 3.47Å; F76-Q123 PolarHBondContact O-NE2 3.19Å; F121-Q123 PolarHBondContact O-N 3.49Å; Q123-A126 WeakPolarHBondContact O-CB 3.24Å; Q123-A126 PolarHBondContact O-N 2.81Å; Q123-L127 PolarHBondContact O-N 2.85Å; Q123-W148 HydrophobicContact CB-CH2 4.33Å
124G98.8Very high98.7Very high0 Ų09.2 Ų9.20%04%0.044CC..Hα-helixtrans-70.4-35.1176.400000113H31 F121 S122 L127 S128H31-G124 WeakPolarHBondContact O-CA 3.4Å; H31-G124 PolarHBondContact O-N 3.35Å; F121-G124 PolarHBondContact O-N 2.83Å; S122-G124 PolarHBondContact O-N 3.34Å; G124-L127 PolarHBondContact O-N 2.79Å; G124-S128 WeakPolarHBondContact O-CB 3.36Å; G124-S128 PolarHBondContact O-N 2.73Å; G124-S128 PolarHBondContact O-OG 3.5Å
125G98.9Very high98.6Very high0 Ų04 Ų40%02%0.02CC..Hα-helixtrans-65.1-41.4172.400000111.7G120 F121 S122 S128 L129G120-G125 VanDerWaalsContact C-N 3.29Å; G120-G125 VanDerWaalsContact O-CA 3.29Å; G120-G125 WeakPolarHBondContact O-CA 3.28Å; F121-G125 PolarHBondContact O-N 3.16Å; S122-G125 PolarHBondContact O-N 3.21Å; G125-S128 WeakPolarHBondContact O-CB 3.31Å; G125-S128 PolarHBondContact O-N 2.89Å; G125-L129 PolarHBondContact O-N 3.29Å
126A98.8Very high98.4Very high0 Ų010.7 Ų10.70%05%0.052CC..Hα-helixtrans-60.5-47.3174.900000112S122 Q123 S128 L129 Y130 W148 P150S122-A126 PolarHBondContact O-N 3.36Å; Q123-A126 WeakPolarHBondContact O-CB 3.24Å; Q123-A126 PolarHBondContact O-N 2.81Å; A126-S128 VanDerWaalsContact C-N 3.3Å; A126-S128 PolarHBondContact O-N 2.8Å; A126-L129 PolarHBondContact O-N 3.01Å; A126-Y130 PolarHBondContact O-N 3.46Å; A126-Y130 VanDerWaalsContact O-N 3.13Å; A126-W148 WeakPolarHBondContact CA-O 3.45Å; A126-W148 HydrophobicContact CB-CD2 3.92Å; A126-W148 HydrophobicContact CB-CE3 4.2Å; A126-W148 HydrophobicContact CB-CG 4.41Å; A126-W148 HydrophobicContact CB-CH2 4.35Å; A126-W148 HydrophobicContact CB-CZ2 4.09Å; A126-W148 HydrophobicContact CB-CZ3 4.4Å; A126-W148 WeakPolarHBondContact CB-O 3.34Å; A126-P150 HydrophobicContact CB-CG 4.26Å; A126-P150 WeakPolarHBondContact O-CD 3.28Å; A126-P150 WeakPolarHBondContact O-CG 3.3Å
127L98.9Very high98.2Very high0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-62.4-37.9174.9-17856.2000112.2L30 W75 F76 A95 A96 I99 Q123 G124 Y130 T131L30-L127 HydrophobicContact CD1-CB 4.01Å; L30-L127 HydrophobicContact CD1-CD2 3.8Å; L30-L127 HydrophobicContact CD1-CG 3.85Å; W75-L127 HydrophobicContact CB-CD2 3.75Å; W75-L127 HydrophobicContact CD2-CD2 3.9Å; W75-L127 HydrophobicContact CE3-CD2 3.95Å; W75-L127 HydrophobicContact CG-CD2 3.82Å; F76-L127 HydrophobicContact CE1-CB 4.19Å; A95-L127 HydrophobicContact CB-CD1 3.86Å; A95-L127 HydrophobicContact CB-CD2 3.68Å; A95-L127 HydrophobicContact CB-CG 4.47Å; A96-L127 HydrophobicContact CB-CD1 4.08Å; I99-L127 HydrophobicContact CG1-CD2 3.98Å; I99-L127 HydrophobicContact CG1-CG 4.43Å; Q123-L127 PolarHBondContact O-N 2.85Å; G124-L127 PolarHBondContact O-N 2.79Å; L127-Y130 PolarHBondContact O-N 2.85Å; L127-T131 VanDerWaalsContact O-CB 3.24Å; L127-T131 WeakPolarHBondContact O-CB 3.2Å; L127-T131 PolarHBondContact O-N 3.43Å; L127-T131 PolarHBondContact O-OG1 2.89Å
128S98.9Very high98Very high0 Ų021 Ų210%010%0.1CC..Hα-helixtrans-63.2-45.3179-62.50000112.2L30 G119 G124 G125 A126 T131 A132L30-S128 WeakPolarHBondContact CD1-OG 3.2Å; G119-S128 PolarHBondContact O-OG 2.72Å; G124-S128 WeakPolarHBondContact O-CB 3.36Å; G124-S128 PolarHBondContact O-N 2.73Å; G124-S128 PolarHBondContact O-OG 3.5Å; G125-S128 WeakPolarHBondContact O-CB 3.31Å; G125-S128 PolarHBondContact O-N 2.89Å; A126-S128 VanDerWaalsContact C-N 3.3Å; A126-S128 PolarHBondContact O-N 2.8Å; S128-T131 PolarHBondContact O-N 2.95Å; S128-A132 VanDerWaalsContact O-CB 3.29Å; S128-A132 WeakPolarHBondContact O-CB 3.46Å; S128-A132 PolarHBondContact O-N 2.93Å
129L98.9Very high98Very high0 Ų021.4 Ų21.40%010%0.102CC..Hα-helixtrans-58.7-52.1174.5-74171.7000111.3G125 A126 T131 A132 L133 V142 A144 L149 I167 T186 L190G125-L129 PolarHBondContact O-N 3.29Å; A126-L129 PolarHBondContact O-N 3.01Å; L129-T131 PolarHBondContact O-N 3.19Å; L129-A132 PolarHBondContact O-N 2.94Å; L129-L133 WeakPolarHBondContact O-CB 3.46Å; L129-L133 VanDerWaalsContact O-CG 3.23Å; L129-L133 WeakPolarHBondContact O-CG 3.17Å; L129-L133 PolarHBondContact O-N 2.78Å; L129-V142 HydrophobicContact CD2-CG1 3.95Å; L129-V142 HydrophobicContact CG-CG1 4.49Å; L129-A144 HydrophobicContact CD1-CB 3.97Å; L129-A144 HydrophobicContact CD2-CB 3.84Å; L129-A144 HydrophobicContact CG-CB 3.84Å; L129-L149 HydrophobicContact CB-CD1 4.1Å; L129-I167 HydrophobicContact CD2-CG2 4.14Å; L129-T186 HydrophobicContact CD1-CG2 3.89Å; L129-L190 HydrophobicContact CD2-CD1 3.93Å; L129-L190 HydrophobicContact CD2-CD2 4.11Å
130Y98.9Very high98Very high14 Ų1421.9 Ų21.96%0.05511%0.107CC..Hα-helixtrans-60.8-45.4-179.3-175.2-91.9000112.2I92 K93 A96 A126 L127 L133 T134 P150 L151 F155I92-Y130 HydrophobicContact CG2-CD1 3.75Å; I92-Y130 HydrophobicContact CG2-CD2 4.15Å; I92-Y130 HydrophobicContact CG2-CE1 3.96Å; I92-Y130 HydrophobicContact CG2-CE2 4.36Å; I92-Y130 HydrophobicContact CG2-CG 3.85Å; K93-Y130 WeakPolarHBondContact CE-OH 3.46Å; K93-Y130 HydrophobicContact CG-CE1 4.26Å; K93-Y130 WeakPolarHBondContact CG-OH 3.46Å; A96-Y130 HydrophobicContact CB-CD1 3.74Å; A96-Y130 HydrophobicContact CB-CE1 3.97Å; A126-Y130 PolarHBondContact O-N 3.46Å; A126-Y130 VanDerWaalsContact O-N 3.13Å; L127-Y130 PolarHBondContact O-N 2.85Å; Y130-L133 PolarHBondContact O-N 3.41Å; Y130-T134 HydrophobicContact CD1-CG2 4.4Å; Y130-T134 HydrophobicContact CD2-CG2 4.46Å; Y130-T134 HydrophobicContact CE1-CG2 4.08Å; Y130-T134 HydrophobicContact CE2-CG2 4.13Å; Y130-T134 WeakPolarHBondContact O-CB 3.15Å; Y130-T134 VanDerWaalsContact O-CG2 3.29Å; Y130-T134 WeakPolarHBondContact O-CG2 3.49Å; Y130-T134 PolarHBondContact O-N 2.81Å; Y130-T134 VanDerWaalsContact O-N 3.12Å; Y130-T134 PolarHBondContact O-OG1 2.9Å; Y130-P150 HydrophobicContact CD2-CG 4.31Å; Y130-P150 HydrophobicContact CG-CG 4.31Å; Y130-L151 HydrophobicContact CD2-CD1 4.47Å; Y130-L151 HydrophobicContact CE2-CB 4.22Å; Y130-L151 HydrophobicContact CE2-CD1 3.72Å; Y130-L151 HydrophobicContact CE2-CG 4.42Å; Y130-F155 AromaticContact CD2-CE2 3.9Å; Y130-F155 HydrophobicContact CD2-CE2 3.9Å; Y130-F155 AromaticContact CD2-CZ 3.94Å; Y130-F155 HydrophobicContact CD2-CZ 3.94Å; Y130-F155 HydrophobicContact CE2-CE2 4.08Å; Y130-F155 HydrophobicContact CE2-CZ 4.12Å
131T98.8Very high98Very high0 Ų021.9 Ų21.90%011%0.107CC..Hα-helixtrans-60.7-49.6179.6-58.60000110.4A96 I99 K100 I103 I118 L127 S128 L129 L133 T134 C135A96-T131 WeakPolarHBondContact CA-OG1 3.48Å; A96-T131 WeakPolarHBondContact CB-OG1 3.46Å; I99-T131 HydrophobicContact CB-CG2 4.07Å; I99-T131 HydrophobicContact CG2-CG2 4.07Å; K100-T131 HydrophobicContact CG-CG2 3.96Å; I103-T131 HydrophobicContact CD1-CG2 4.43Å; I118-T131 HydrophobicContact CD1-CG2 3.87Å; L127-T131 VanDerWaalsContact O-CB 3.24Å; L127-T131 WeakPolarHBondContact O-CB 3.2Å; L127-T131 PolarHBondContact O-N 3.43Å; L127-T131 PolarHBondContact O-OG1 2.89Å; S128-T131 PolarHBondContact O-N 2.95Å; L129-T131 PolarHBondContact O-N 3.19Å; T131-L133 PolarHBondContact O-N 2.75Å; T131-T134 PolarHBondContact O-N 2.91Å; T131-T134 PolarHBondContact O-OG1 2.92Å; T131-C135 WeakPolarHBondContact O-CB 3.19Å; T131-C135 PolarHBondContact O-N 2.93Å
132A98.6Very high98Very high2 Ų221 Ų212%0.01710%0.103CC..Hα-helixtrans-63-44.2-178.500000112.7I118 S128 L129 T134 C135 L139 V142 I165I118-A132 HydrophobicContact CG2-CB 3.78Å; S128-A132 VanDerWaalsContact O-CB 3.29Å; S128-A132 WeakPolarHBondContact O-CB 3.46Å; S128-A132 PolarHBondContact O-N 2.93Å; L129-A132 PolarHBondContact O-N 2.94Å; A132-T134 VanDerWaalsContact C-N 3.27Å; A132-T134 PolarHBondContact O-N 3.08Å; A132-C135 PolarHBondContact O-N 2.81Å; A132-L139 HydrophobicContact CB-CD1 4.11Å; A132-V142 HydrophobicContact CB-CG2 3.32Å; A132-I165 HydrophobicContact CB-CD1 3.91Å
133L98.4Very high98Very high2 Ų220.6 Ų20.61%0.0110%0.1CC..Hα-helixtrans-71.7-21.1-177.5-67.4171.6000113.5L129 Y130 T131 L149 F155 S159 S160 L190 I193 V194L129-L133 WeakPolarHBondContact O-CB 3.46Å; L129-L133 VanDerWaalsContact O-CG 3.23Å; L129-L133 WeakPolarHBondContact O-CG 3.17Å; L129-L133 PolarHBondContact O-N 2.78Å; Y130-L133 PolarHBondContact O-N 3.41Å; T131-L133 PolarHBondContact O-N 2.75Å; L133-L149 HydrophobicContact CD1-CD1 3.65Å; L133-L149 HydrophobicContact CD1-CD2 4.47Å; L133-F155 HydrophobicContact CB-CE1 3.67Å; L133-F155 HydrophobicContact CB-CZ 4.08Å; L133-F155 HydrophobicContact CD1-CE1 4.13Å; L133-F155 HydrophobicContact CD1-CZ 4.33Å; L133-S159 CarbonylContact O-C 3.46Å; L133-S159 VanDerWaalsContact O-CA 3.27Å; L133-S159 WeakPolarHBondContact O-CA 3.39Å; L133-S159 PolarHBondContact O-OG 2.88Å; L133-S160 PolarHBondContact O-N 2.85Å; L133-S160 PolarHBondContact O-OG 3.37Å; L133-L190 HydrophobicContact CD1-CD2 3.71Å; L133-I193 HydrophobicContact CD1-CD1 4.39Å; L133-I193 HydrophobicContact CD2-CG2 4.03Å; L133-V194 HydrophobicContact CD2-CG1 3.74Å
134T98.3Very high98.1Very high17 Ų1720.6 Ų20.610%0.10410%0.1CC..Hα-helixtrans-105.1-1.7177.864.30000113K100 Y130 T131 A132 F155K100-T134 PolarHBondContact NZ-O 3.49Å; K100-T134 PolarHBondContact NZ-OG1 3.43Å; Y130-T134 HydrophobicContact CD1-CG2 4.4Å; Y130-T134 HydrophobicContact CD2-CG2 4.46Å; Y130-T134 HydrophobicContact CE1-CG2 4.08Å; Y130-T134 HydrophobicContact CE2-CG2 4.13Å; Y130-T134 WeakPolarHBondContact O-CB 3.15Å; Y130-T134 VanDerWaalsContact O-CG2 3.29Å; Y130-T134 WeakPolarHBondContact O-CG2 3.49Å; Y130-T134 PolarHBondContact O-N 2.81Å; Y130-T134 VanDerWaalsContact O-N 3.12Å; Y130-T134 PolarHBondContact O-OG1 2.9Å; T131-T134 PolarHBondContact O-N 2.91Å; T131-T134 PolarHBondContact O-OG1 2.92Å; A132-T134 VanDerWaalsContact C-N 3.27Å; A132-T134 PolarHBondContact O-N 3.08Å; T134-F155 HydrophobicContact CG2-CE1 4.26Å; T134-F155 HydrophobicContact CG2-CZ 3.96Å
135C96.1Very high98.1Very high3 Ų320.6 Ų20.62%0.0210%0.1CC..  trans-77.5134.2178.7-170.50000110.8T131 A132 H137 S160T131-C135 WeakPolarHBondContact O-CB 3.19Å; T131-C135 PolarHBondContact O-N 2.93Å; A132-C135 PolarHBondContact O-N 2.81Å; C135-H137 VanDerWaalsContact C-N 3.32Å; C135-H137 PolarHBondContact SG-N 3.11Å; C135-H137 VanDerWaalsContact SG-N 3.42Å; C135-S160 WeakPolarHBondContact O-CB 3.5Å; C135-S160 PolarHBondContact O-OG 3.42Å
136Q94.7Very high98Very high156 Ų15620.6 Ų20.673%0.72910%0.1SC*.SBendtrans-77.1-21.8175.6-64-60.9-34.500112.4
137H94.3Very high98Very high77 Ų7720.6 Ų20.636%0.35610%0.1SC..SBendtrans-78.4140.2174.2-60.6-57.3000111.2P113 C135 L139P113-H137 HydrophobicContact CB-CB 3.62Å; P113-H137 HydrophobicContact CG-CB 3.87Å; C135-H137 VanDerWaalsContact C-N 3.32Å; C135-H137 PolarHBondContact SG-N 3.11Å; C135-H137 VanDerWaalsContact SG-N 3.42Å; H137-L139 PolarHBondContact O-N 2.85Å; H137-L139 VanDerWaalsContact O-N 3.15Å
138Q95.5Very high98Very high140 Ų14022.3 Ų22.365%0.65411%0.106SC*.  trans-76102.1172.5-67.4-176.7-11.800109.6P113 H114P113-Q138 CarbonylContact C-O 3.54Å; H114-Q138 WeakPolarHBondContact CA-O 3.41Å; H114-Q138 PolarHBondContact N-O 3.19Å
139L98.5Very high98Very high8 Ų822.5 Ų22.54%0.04211%0.107CC..  trans-77.9157.5173.9-58.7-179.2000111.5I103 P113 I116 I118 A132 H137 G141 I165I103-L139 HydrophobicContact CD1-CD1 4.04Å; I103-L139 HydrophobicContact CD1-CD2 4.06Å; I103-L139 HydrophobicContact CG1-CD2 4.44Å; I103-L139 HydrophobicContact CG2-CD2 3.9Å; P113-L139 HydrophobicContact CB-CD2 4.19Å; P113-L139 WeakPolarHBondContact O-CA 3.26Å; I116-L139 HydrophobicContact CB-CD2 4.33Å; I118-L139 HydrophobicContact CB-CD1 4.49Å; I118-L139 HydrophobicContact CG2-CD1 3.85Å; A132-L139 HydrophobicContact CB-CD1 4.11Å; H137-L139 PolarHBondContact O-N 2.85Å; H137-L139 VanDerWaalsContact O-N 3.15Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-I165 HydrophobicContact CB-CD1 4.06Å
140A98.6Very high98Very high11 Ų1122.5 Ų22.59%0.09111%0.107CC..SBendtrans-73.3-24.9-179.600000112.8H114 I116 I117 P166 L227H114-A140 WeakPolarHBondContact O-CB 3.38Å; I116-A140 WeakPolarHBondContact O-CB 3.47Å; I116-A140 PolarHBondContact O-N 3.38Å; I117-A140 HydrophobicContact CG1-CB 3.97Å; A140-P166 WeakPolarHBondContact O-CD 3.45Å; A140-P166 WeakPolarHBondContact O-CG 3.39Å; A140-L227 HydrophobicContact CB-CD2 3.65Å; A140-L227 HydrophobicContact CB-CG 4.49Å
141G98.7Very high97.9Very high0 Ų022.8 Ų22.80%011%0.109CC..EExtended strand (participates in β ladder)trans165.4178.817600000113.9I117 I118 L139 P166I117-G141 WeakPolarHBondContact CA-O 3.45Å; I118-G141 PolarHBondContact N-O 3.05Å; L139-G141 VanDerWaalsContact C-N 3.32Å; G141-P166 CarbonylContact C-O 3.42Å; G141-P166 WeakPolarHBondContact CA-O 3.38Å
142V98.9Very high97.8Very high0 Ų025.4 Ų25.40%012%0.122CC..EExtended strand (participates in β ladder)trans-126.3136.5177.5-168.80000111.4I118 L129 A132 I165 P166 I167 L168 F222I118-V142 HydrophobicContact CG2-CG1 4.36Å; I118-V142 HydrophobicContact CG2-CG2 4.12Å; I118-V142 CarbonylContact O-C 3.41Å; I118-V142 WeakPolarHBondContact O-CA 3.23Å; L129-V142 HydrophobicContact CD2-CG1 3.95Å; L129-V142 HydrophobicContact CG-CG1 4.49Å; A132-V142 HydrophobicContact CB-CG2 3.32Å; V142-I165 HydrophobicContact CG2-CD1 3.63Å; V142-I165 HydrophobicContact CG2-CG1 4.18Å; V142-P166 PolarHBondContact N-O 3.2Å; V142-I167 HydrophobicContact CB-CG1 4.16Å; V142-I167 HydrophobicContact CB-CG2 4.24Å; V142-I167 HydrophobicContact CG2-CG1 4.27Å; V142-I167 WeakPolarHBondContact O-CA 3.29Å; V142-L168 PolarHBondContact O-N 3.21Å; V142-F222 WeakPolarHBondContact O-CZ 3.02Å
143V98.9Very high97.7Very high2 Ų233.7 Ų33.71%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-114.4111.1169175.90000109.3I117 I118 G119 G120 L145 L168 V219 F222I117-V143 HydrophobicContact CG2-CG2 3.99Å; I118-V143 PolarHBondContact O-N 2.71Å; G119-V143 CarbonylContact C-O 3.54Å; G119-V143 WeakPolarHBondContact CA-O 3.43Å; G120-V143 PolarHBondContact N-O 3.29Å; V143-L145 HydrophobicContact CG1-CD2 3.61Å; V143-L145 HydrophobicContact CG1-CG 4.04Å; V143-L168 CarbonylContact C-O 3.57Å; V143-L168 WeakPolarHBondContact CA-O 3.23Å; V143-V219 HydrophobicContact CG1-CG1 4.07Å; V143-V219 HydrophobicContact CG1-CG2 3.77Å; V143-V219 HydrophobicContact CG2-CG1 4.4Å; V143-F222 HydrophobicContact CG2-CD1 3.62Å; V143-F222 HydrophobicContact CG2-CE1 3.78Å
144A98.9Very high97.7Very high0 Ų035.8 Ų35.80%017%0.167CC..EExtended strand (participates in β ladder)trans-117.8100.8-172.100000110.6L129 L168 Q169 C170L129-A144 HydrophobicContact CD1-CB 3.97Å; L129-A144 HydrophobicContact CD2-CB 3.84Å; L129-A144 HydrophobicContact CG-CB 3.84Å; A144-L168 PolarHBondContact N-O 2.89Å; A144-Q169 HydrophobicContact CB-CB 4.39Å; A144-Q169 HydrophobicContact CB-CG 4.26Å; A144-Q169 CarbonylContact O-C 3.52Å; A144-Q169 VanDerWaalsContact O-CA 3.28Å; A144-Q169 WeakPolarHBondContact O-CA 2.9Å; A144-C170 PolarHBondContact O-N 3.46Å
145L98.9Very high97.6Very high1 Ų135.2 Ų35.21%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-102.1126.2-174.4-46.8-174.6000111.2F29 W40 G120 F121 S122 V143 C147 C170 E215 V219F29-L145 HydrophobicContact CE2-CD1 4.1Å; F29-L145 HydrophobicContact CZ-CD1 3.78Å; F29-L145 HydrophobicContact CZ-CG 4.4Å; W40-L145 HydrophobicContact CH2-CD1 3.88Å; W40-L145 HydrophobicContact CZ3-CD1 3.87Å; G120-L145 PolarHBondContact O-N 2.86Å; F121-L145 CarbonylContact C-O 3.52Å; F121-L145 WeakPolarHBondContact CA-O 3.43Å; F121-L145 HydrophobicContact CB-CB 4.47Å; F121-L145 HydrophobicContact CD2-CB 3.98Å; S122-L145 PolarHBondContact N-O 3.28Å; V143-L145 HydrophobicContact CG1-CD2 3.61Å; V143-L145 HydrophobicContact CG1-CG 4.04Å; L145-C147 VanDerWaalsContact C-N 3.32Å; L145-C147 WeakPolarHBondContact O-CB 3.33Å; L145-C147 PolarHBondContact O-N 2.9Å; L145-C170 HydrophobicContact CD2-CB 3.66Å; L145-E215 HydrophobicContact CD2-CG 4.33Å; L145-V219 HydrophobicContact CD2-CG2 3.95Å
146S98.6Very high97.6Very high0 Ų037.3 Ų37.30%018%0.177CC..SBendtrans43.452174.5-59.90000113.9S122 C170S122-S146 WeakPolarHBondContact CA-O 3.46Å; S146-C170 PolarHBondContact N-O 3.33Å
147C98.6Very high97.8Very high0 Ų035.4 Ų35.40%018%0.181CC..  trans-137.9-174-170.269.40000113.1S122 L145S122-C147 WeakPolarHBondContact O-CB 3.43Å; L145-C147 VanDerWaalsContact C-N 3.32Å; L145-C147 WeakPolarHBondContact O-CB 3.33Å; L145-C147 PolarHBondContact O-N 2.9Å
148W98.5Very high97.8Very high36 Ų3633.5 Ų33.514%0.13618%0.179CC..  trans-133.3162.6178.868.7101.9000111F76 L78 E87 Q123 A126 P150 V178 T186F76-W148 HydrophobicContact CE2-CZ2 4.36Å; F76-W148 HydrophobicContact CZ-CZ2 4.2Å; L78-W148 HydrophobicContact CD1-CH2 4.07Å; L78-W148 HydrophobicContact CD1-CZ2 3.9Å; E87-W148 PolarHBondContact OE1-NE1 2.96Å; Q123-W148 HydrophobicContact CB-CH2 4.33Å; A126-W148 WeakPolarHBondContact CA-O 3.45Å; A126-W148 HydrophobicContact CB-CD2 3.92Å; A126-W148 HydrophobicContact CB-CE3 4.2Å; A126-W148 HydrophobicContact CB-CG 4.41Å; A126-W148 HydrophobicContact CB-CH2 4.35Å; A126-W148 HydrophobicContact CB-CZ2 4.09Å; A126-W148 HydrophobicContact CB-CZ3 4.4Å; A126-W148 WeakPolarHBondContact CB-O 3.34Å; W148-P150 WeakPolarHBondContact O-CD 3.41Å; W148-V178 HydrophobicContact CE3-CG1 4.33Å; W148-V178 HydrophobicContact CE3-CG2 4.2Å; W148-V178 HydrophobicContact CZ3-CG2 4.12Å; W148-T186 WeakPolarHBondContact CA-OG1 3.3Å
149L98.4Very high97.8Very high3 Ų327.9 Ų27.92%0.01615%0.154CC..  trans-83.7113.2167.5175.265.6000109.4L129 L133 H152 F155 T186 K189 I193L129-L149 HydrophobicContact CB-CD1 4.1Å; L133-L149 HydrophobicContact CD1-CD1 3.65Å; L133-L149 HydrophobicContact CD1-CD2 4.47Å; L149-H152 HydrophobicContact CB-CB 4.44Å; L149-H152 HydrophobicContact CD2-CB 4.16Å; L149-H152 HydrophobicContact CG-CB 4.2Å; L149-H152 WeakPolarHBondContact O-CB 3.37Å; L149-F155 HydrophobicContact CD1-CD2 4.38Å; L149-F155 HydrophobicContact CD1-CE2 3.96Å; L149-F155 HydrophobicContact CD1-CZ 4.37Å; L149-F155 HydrophobicContact CD2-CD2 3.98Å; L149-F155 HydrophobicContact CD2-CE2 4.39Å; L149-F155 HydrophobicContact CD2-CG 4.36Å; L149-F155 HydrophobicContact CG-CD2 4.33Å; L149-F155 HydrophobicContact CG-CE2 4.34Å; L149-T186 HydrophobicContact CB-CG2 3.81Å; L149-T186 PolarHBondContact N-OG1 2.98Å; L149-T186 VanDerWaalsContact N-OG1 3.08Å; L149-K189 HydrophobicContact CD2-CG 3.82Å; L149-I193 HydrophobicContact CD2-CD1 3.64Å
150P98.2Very high97.5Very high0 Ų029 Ų290%016%0.163CC..THydrogen-bonded Turntrans-76154.1177.733.6-35.5000110.6E87 I92 A126 Y130 W148 H152E87-P150 WeakPolarHBondContact OE1-CA 3.32Å; E87-P150 VanDerWaalsContact OE1-CB 3.24Å; E87-P150 WeakPolarHBondContact OE1-CB 3.3Å; I92-P150 HydrophobicContact CD1-CB 3.97Å; I92-P150 HydrophobicContact CG2-CG 4.31Å; A126-P150 HydrophobicContact CB-CG 4.26Å; A126-P150 WeakPolarHBondContact O-CD 3.28Å; A126-P150 WeakPolarHBondContact O-CG 3.3Å; Y130-P150 HydrophobicContact CD2-CG 4.31Å; Y130-P150 HydrophobicContact CG-CG 4.31Å; W148-P150 WeakPolarHBondContact O-CD 3.41Å; P150-H152 PolarHBondContact O-N 2.92Å; P150-H152 VanDerWaalsContact O-N 3.15Å
151L97.8Very high97.2Very high20 Ų2030.6 Ų30.611%0.10518%0.18CC..THydrogen-bonded Turntrans52.833.1-176.1-51.7175.5000112.2E87 E89 I92 Y130 R153 S154E87-L151 HydrophobicContact CB-CD2 3.9Å; E87-L151 PolarHBondContact OE1-N 2.82Å; E87-L151 VanDerWaalsContact OE2-CA 3.31Å; E87-L151 WeakPolarHBondContact OE2-CA 3.39Å; E87-L151 PolarHBondContact OE2-N 2.88Å; E89-L151 HydrophobicContact CB-CD1 4.19Å; E89-L151 HydrophobicContact CB-CD2 3.94Å; E89-L151 HydrophobicContact CG-CD1 3.81Å; E89-L151 HydrophobicContact CG-CD2 4.3Å; I92-L151 HydrophobicContact CB-CD1 4.44Å; I92-L151 HydrophobicContact CD1-CD1 4.38Å; I92-L151 HydrophobicContact CD1-CD2 4.22Å; I92-L151 HydrophobicContact CD1-CG 4.05Å; I92-L151 HydrophobicContact CG2-CD1 4.15Å; Y130-L151 HydrophobicContact CD2-CD1 4.47Å; Y130-L151 HydrophobicContact CE2-CB 4.22Å; Y130-L151 HydrophobicContact CE2-CD1 3.72Å; Y130-L151 HydrophobicContact CE2-CG 4.42Å; L151-R153 PolarHBondContact O-N 3.4Å; L151-S154 WeakPolarHBondContact O-CB 3.27Å; L151-S154 PolarHBondContact O-N 3.49Å; L151-S154 PolarHBondContact O-OG 2.91Å
152H96.9Very high96.8Very high55 Ų5532 Ų3226%0.25519%0.188SC..G310 helixtrans-53.2-29-171.268.2105.5000113.7L149 P150 S154 F155 K189L149-H152 HydrophobicContact CB-CB 4.44Å; L149-H152 HydrophobicContact CD2-CB 4.16Å; L149-H152 HydrophobicContact CG-CB 4.2Å; L149-H152 WeakPolarHBondContact O-CB 3.37Å; P150-H152 PolarHBondContact O-N 2.92Å; P150-H152 VanDerWaalsContact O-N 3.15Å; H152-S154 VanDerWaalsContact C-N 3.28Å; H152-S154 PolarHBondContact O-N 2.94Å; H152-F155 PolarHBondContact O-N 3.17Å; H152-K189 WeakPolarHBondContact O-CE 3.32Å
153R96.6Very high96.6Very high177 Ų17736.5 Ų36.567%0.66821%0.207SC*.G310 helixtrans-67.3-24.9177.5-58.8-177.5-173.7-171.6-2.5113.6D84 L151 F155D84-R153 IonicContact OD1-NH2 3.95Å; D84-R153 PolarHBondContact OD1-NH2 3.37Å; L151-R153 PolarHBondContact O-N 3.4Å; R153-F155 PolarHBondContact O-N 3.07Å
154S97.2Very high96.5Very high46 Ų4641.2 Ų41.232%0.32223%0.233SC..G310 helixtrans-74.4-14.4176.671.30000113.3L151 H152 S157 A158L151-S154 WeakPolarHBondContact O-CB 3.27Å; L151-S154 PolarHBondContact O-N 3.49Å; L151-S154 PolarHBondContact O-OG 2.91Å; H152-S154 VanDerWaalsContact C-N 3.28Å; H152-S154 PolarHBondContact O-N 2.94Å; S154-S157 PolarHBondContact O-N 3.06Å; S154-A158 PolarHBondContact O-N 3.16Å
155F97.4Very high96.4Very high5 Ų541.3 Ų41.32%0.02223%0.233CC..THydrogen-bonded Turntrans-91.2143.1178.3-70.2-85.7000111.4Y130 L133 T134 L149 H152 R153 A158 K189 I193Y130-F155 AromaticContact CD2-CE2 3.9Å; Y130-F155 HydrophobicContact CD2-CE2 3.9Å; Y130-F155 AromaticContact CD2-CZ 3.94Å; Y130-F155 HydrophobicContact CD2-CZ 3.94Å; Y130-F155 HydrophobicContact CE2-CE2 4.08Å; Y130-F155 HydrophobicContact CE2-CZ 4.12Å; L133-F155 HydrophobicContact CB-CE1 3.67Å; L133-F155 HydrophobicContact CB-CZ 4.08Å; L133-F155 HydrophobicContact CD1-CE1 4.13Å; L133-F155 HydrophobicContact CD1-CZ 4.33Å; T134-F155 HydrophobicContact CG2-CE1 4.26Å; T134-F155 HydrophobicContact CG2-CZ 3.96Å; L149-F155 HydrophobicContact CD1-CD2 4.38Å; L149-F155 HydrophobicContact CD1-CE2 3.96Å; L149-F155 HydrophobicContact CD1-CZ 4.37Å; L149-F155 HydrophobicContact CD2-CD2 3.98Å; L149-F155 HydrophobicContact CD2-CE2 4.39Å; L149-F155 HydrophobicContact CD2-CG 4.36Å; L149-F155 HydrophobicContact CG-CD2 4.33Å; L149-F155 HydrophobicContact CG-CE2 4.34Å; H152-F155 PolarHBondContact O-N 3.17Å; R153-F155 PolarHBondContact O-N 3.07Å; F155-A158 HydrophobicContact CD1-CB 4.28Å; F155-A158 HydrophobicContact CE1-CB 4.12Å; F155-A158 HydrophobicContact CZ-CB 4.28Å; F155-K189 WeakPolarHBondContact O-CE 3.49Å; F155-K189 PolarHBondContact O-NZ 2.97Å; F155-I193 HydrophobicContact CB-CD1 3.4Å; F155-I193 VanDerWaalsContact CB-CD1 3.4Å; F155-I193 HydrophobicContact CB-CG1 3.85Å; F155-I193 HydrophobicContact CD1-CD1 3.86Å; F155-I193 HydrophobicContact CD1-CG1 4.42Å; F155-I193 HydrophobicContact CD1-CG2 4.28Å; F155-I193 HydrophobicContact CG-CD1 3.68Å; F155-I193 HydrophobicContact CG-CG1 4.44Å
156P96.2Very high96.4Very high46 Ų4641.7 Ų41.730%0.29924%0.236SC..THydrogen-bonded Turncis-89.6-6.31635.3-35.2000114.2A158 S159 Y192 I193P156-A158 VanDerWaalsContact C-N 3.27Å; P156-A158 PolarHBondContact O-N 2.87Å; P156-S159 WeakPolarHBondContact O-CB 3.32Å; P156-S159 PolarHBondContact O-N 2.96Å; P156-Y192 HydrophobicContact CB-CE1 4.44Å; P156-Y192 HydrophobicContact CG-CD1 4.39Å; P156-Y192 HydrophobicContact CG-CE1 3.75Å; P156-I193 HydrophobicContact CB-CG1 4.38Å
157S97.3Very high96.4Very high117 Ų11741.7 Ų41.782%0.81824%0.236SC*.THydrogen-bonded Turntrans-59.9-33-174-530000114S154 S159S154-S157 PolarHBondContact O-N 3.06Å; S157-S159 VanDerWaalsContact C-N 3.28Å; S157-S159 PolarHBondContact O-N 3.45Å
158A95.1Very high96.5Very high37 Ų3741.9 Ų41.931%0.30624%0.237SC..THydrogen-bonded Turntrans-75.6-10.3175.800000114.3S154 F155 P156S154-A158 PolarHBondContact O-N 3.16Å; F155-A158 HydrophobicContact CD1-CB 4.28Å; F155-A158 HydrophobicContact CE1-CB 4.12Å; F155-A158 HydrophobicContact CZ-CB 4.28Å; P156-A158 VanDerWaalsContact C-N 3.27Å; P156-A158 PolarHBondContact O-N 2.87Å
159S94.9Very high96.5Very high21 Ų2140.1 Ų40.115%0.14723%0.23CC..SBendtrans-69.3143.2-177.7-178.70000111.7L133 P156 S157 G161L133-S159 CarbonylContact O-C 3.46Å; L133-S159 VanDerWaalsContact O-CA 3.27Å; L133-S159 WeakPolarHBondContact O-CA 3.39Å; L133-S159 PolarHBondContact O-OG 2.88Å; P156-S159 WeakPolarHBondContact O-CB 3.32Å; P156-S159 PolarHBondContact O-N 2.96Å; S157-S159 VanDerWaalsContact C-N 3.28Å; S157-S159 PolarHBondContact O-N 3.45Å; S159-G161 PolarHBondContact O-N 3.32Å; S159-G161 PolarHBondContact OG-N 3.43Å
160S93.8Very high96.5Very high32 Ų3240 Ų4022%0.22423%0.229CC..  trans-68-6.2170.462.50000113.9L133 C135L133-S160 PolarHBondContact O-N 2.85Å; L133-S160 PolarHBondContact O-OG 3.37Å; C135-S160 WeakPolarHBondContact O-CB 3.5Å; C135-S160 PolarHBondContact O-OG 3.42Å
161G91.2Very high96.5Very high44 Ų4440 Ų4045%0.45423%0.229SC..  trans87.63.317900000114.4S159 K163S159-G161 PolarHBondContact O-N 3.32Å; S159-G161 PolarHBondContact OG-N 3.43Å; G161-K163 PolarHBondContact O-N 3.24Å
162N90.6Very high96.6Very high30 Ų3039 Ų3916%0.1622%0.224CC..  trans-70.389.9172.7-173.71.3000111.1N164N162-N164 VanDerWaalsContact C-N 3.31Å; N162-N164 PolarHBondContact O-N 3.04Å; N162-N164 PolarHBondContact OD1-N 3.21Å
163K94.2Very high96.6Very high94 Ų9440.8 Ų40.841%0.40923%0.233SC..THydrogen-bonded Turntrans-75.1-16.9-179-61.7-61.3-177.41730113.8G161 I193 V194 N195G161-K163 PolarHBondContact O-N 3.24Å; K163-I193 WeakPolarHBondContact CD-O 3Å; K163-I193 WeakPolarHBondContact CE-O 3.28Å; K163-I193 PolarHBondContact NZ-O 3.16Å; K163-V194 WeakPolarHBondContact O-CB 3.41Å; K163-N195 WeakPolarHBondContact O-CB 3.45Å; K163-N195 PolarHBondContact O-N 2.86Å
164N96.7Very high96.7Very high101 Ų10137.5 Ų37.554%0.5423%0.226SC..THydrogen-bonded Turntrans-109.720.9-170.9-66.3-36000113.3N162 P166 N195 M198N162-N164 VanDerWaalsContact C-N 3.31Å; N162-N164 PolarHBondContact O-N 3.04Å; N162-N164 PolarHBondContact OD1-N 3.21Å; N164-P166 WeakPolarHBondContact O-CD 3.39Å; N164-N195 PolarHBondContact OD1-ND2 3.14Å; N164-M198 WeakPolarHBondContact O-CE 3.41Å
165I97.9Very high96.8Very high2 Ų235.6 Ų35.61%0.0121%0.212CC..  trans-72.6122.1173.6-172.6166.7000110.1A132 L139 V142 I167 V194 M198A132-I165 HydrophobicContact CB-CD1 3.91Å; L139-I165 HydrophobicContact CB-CD1 4.06Å; V142-I165 HydrophobicContact CG2-CD1 3.63Å; V142-I165 HydrophobicContact CG2-CG1 4.18Å; I165-I167 HydrophobicContact CG2-CD1 4.44Å; I165-I167 HydrophobicContact CG2-CG1 4.45Å; I165-V194 HydrophobicContact CG2-CG1 3.83Å; I165-M198 WeakPolarHBondContact O-CB 3.46Å
166P98.8Very high96.6Very high9 Ų943.2 Ų43.26%0.05825%0.25CC..  trans-66.2137.7172.6-11.222.9000111.6A140 G141 V142 N164 M198 F222 Y226A140-P166 WeakPolarHBondContact O-CD 3.45Å; A140-P166 WeakPolarHBondContact O-CG 3.39Å; G141-P166 CarbonylContact C-O 3.42Å; G141-P166 WeakPolarHBondContact CA-O 3.38Å; V142-P166 PolarHBondContact N-O 3.2Å; N164-P166 WeakPolarHBondContact O-CD 3.39Å; P166-M198 CarbonylContact C-O 3.36Å; P166-M198 HydrophobicContact CB-CE 3.64Å; P166-M198 HydrophobicContact CG-CE 3.37Å; P166-F222 HydrophobicContact CB-CE2 3.85Å; P166-F222 HydrophobicContact CB-CZ 3.8Å; P166-Y226 HydrophobicContact CB-CD1 4.13Å; P166-Y226 HydrophobicContact CB-CD2 3.92Å; P166-Y226 HydrophobicContact CB-CE1 3.72Å; P166-Y226 HydrophobicContact CB-CE2 3.48Å; P166-Y226 VanDerWaalsContact CB-CE2 3.48Å; P166-Y226 HydrophobicContact CB-CG 4.23Å; P166-Y226 HydrophobicContact CG-CD1 3.5Å; P166-Y226 VanDerWaalsContact CG-CD1 3.5Å; P166-Y226 HydrophobicContact CG-CD2 4.17Å; P166-Y226 HydrophobicContact CG-CE1 3.28Å; P166-Y226 HydrophobicContact CG-CE2 3.98Å; P166-Y226 HydrophobicContact CG-CG 3.95Å
167I98.9Very high96.5Very high0 Ų045.9 Ų45.90%026%0.26CS..EExtended strand (participates in β ladder)trans-132120177.1-54.1178.7000108.9L129 V142 I165 L190 V194 M198 T200L129-I167 HydrophobicContact CD2-CG2 4.14Å; V142-I167 HydrophobicContact CB-CG1 4.16Å; V142-I167 HydrophobicContact CB-CG2 4.24Å; V142-I167 HydrophobicContact CG2-CG1 4.27Å; V142-I167 WeakPolarHBondContact O-CA 3.29Å; I165-I167 HydrophobicContact CG2-CD1 4.44Å; I165-I167 HydrophobicContact CG2-CG1 4.45Å; I167-L190 HydrophobicContact CD1-CD1 4.29Å; I167-L190 HydrophobicContact CD1-CD2 3.98Å; I167-L190 HydrophobicContact CG2-CD1 4.16Å; I167-V194 HydrophobicContact CD1-CG2 4.18Å; I167-M198 PolarHBondContact N-O 3.41Å; I167-T200 PolarHBondContact O-N 3.04Å
168L98.9Very high96.5Very high4 Ų440.5 Ų40.52%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-97.1116.6161.5174.465.7000108V142 V143 A144 T200 K202 A218 V219 F222V142-L168 PolarHBondContact O-N 3.21Å; V143-L168 CarbonylContact C-O 3.57Å; V143-L168 WeakPolarHBondContact CA-O 3.23Å; A144-L168 PolarHBondContact N-O 2.89Å; L168-T200 HydrophobicContact CD1-CG2 4.1Å; L168-K202 HydrophobicContact CD1-CD 4.31Å; L168-K202 HydrophobicContact CD1-CG 4.45Å; L168-A218 HydrophobicContact CD2-CB 4.44Å; L168-V219 HydrophobicContact CD2-CG2 4.1Å; L168-F222 HydrophobicContact CB-CB 4.37Å; L168-F222 HydrophobicContact CB-CD1 4.28Å; L168-F222 HydrophobicContact CB-CD2 3.58Å; L168-F222 HydrophobicContact CB-CE1 4.46Å; L168-F222 HydrophobicContact CB-CE2 3.78Å; L168-F222 HydrophobicContact CB-CG 3.83Å; L168-F222 HydrophobicContact CB-CZ 4.22Å; L168-F222 HydrophobicContact CD2-CB 3.8Å; L168-F222 HydrophobicContact CD2-CG 4.15Å
169Q98.9Very high96.5Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-110.9131170.6-172.7-175.7-6.700109.3A144 G183 A187 T200 F201 K202A144-Q169 HydrophobicContact CB-CB 4.39Å; A144-Q169 HydrophobicContact CB-CG 4.26Å; A144-Q169 CarbonylContact O-C 3.52Å; A144-Q169 VanDerWaalsContact O-CA 3.28Å; A144-Q169 WeakPolarHBondContact O-CA 2.9Å; Q169-G183 VanDerWaalsContact NE2-CA 3.34Å; Q169-G183 PolarHBondContact NE2-O 3.05Å; Q169-A187 VanDerWaalsContact OE1-CA 3.29Å; Q169-T200 PolarHBondContact N-O 2.94Å; Q169-F201 HydrophobicContact CB-CD2 3.95Å; Q169-F201 HydrophobicContact CG-CD2 3.77Å; Q169-F201 HydrophobicContact CG-CE2 4.07Å; Q169-F201 CarbonylContact O-C 3.44Å; Q169-F201 WeakPolarHBondContact O-CA 3.33Å; Q169-K202 PolarHBondContact O-N 3.23Å
170C98.9Very high96.5Very high0 Ų041.2 Ų41.20%023%0.225CC..EExtended strand (participates in β ladder)trans-126.1146.8-179.1-68.10000110.2A144 L145 S146 K202 Y204 E215A144-C170 PolarHBondContact O-N 3.46Å; L145-C170 HydrophobicContact CD2-CB 3.66Å; S146-C170 PolarHBondContact N-O 3.33Å; C170-K202 CarbonylContact C-O 3.55Å; C170-K202 VanDerWaalsContact CA-O 3.28Å; C170-K202 WeakPolarHBondContact CA-O 3.49Å; C170-Y204 HydrophobicContact CB-CE2 3.72Å; C170-E215 HydrophobicContact CB-CG 3.78Å; C170-E215 WeakPolarHBondContact CB-OE1 3.41Å
171H98.8Very high96.7Very high0 Ų046.2 Ų46.20%025%0.245CC..EExtended strand (participates in β ladder)trans-152.3139.6179.9-137.8105.3000112.7D175 V178 F201 K202 T203 Y204H171-D175 IonicContact NE2-OD2 2.71Å; H171-V178 PolarHBondContact NE2-O 2.91Å; H171-F201 HydrophobicContact CB-CE2 3.93Å; H171-F201 HydrophobicContact CB-CZ 4.15Å; H171-K202 PolarHBondContact N-O 3.3Å; H171-T203 CarbonylContact O-C 3.2Å; H171-T203 VanDerWaalsContact O-CA 3.24Å; H171-T203 WeakPolarHBondContact O-CA 3.46Å; H171-Y204 PolarHBondContact O-N 3.37Å
172G98.7Very high96.9Very high0 Ų045.7 Ų45.70%023%0.23CC..EExtended strand (participates in β ladder)trans-76.4133.6169.800000112.2M174 D175 V207G172-M174 VanDerWaalsContact C-N 3.26Å; G172-M174 PolarHBondContact O-N 3.16Å; G172-D175 WeakPolarHBondContact O-CB 3.49Å; G172-D175 PolarHBondContact O-N 2.84Å; G172-V207 CarbonylContact C-O 3.39Å; G172-V207 WeakPolarHBondContact CA-O 3.37Å
173E98.4Very high97.2Very high91 Ų9144.3 Ų44.343%0.42522%0.223SC..THydrogen-bonded Turntrans-71.3-21.8-177.6-67.4-176.9179.600113.6T203 Y204 P205 V207E173-T203 WeakPolarHBondContact OE1-CB 3.37Å; E173-T203 PolarHBondContact OE1-OG1 3.31Å; E173-Y204 PolarHBondContact N-O 2.91Å; E173-P205 WeakPolarHBondContact OE2-CA 3.4Å; E173-V207 PolarHBondContact N-O 2.99Å
174M98Very high97.4Very high108 Ų10841.7 Ų41.753%0.53222%0.219SC..THydrogen-bonded Turntrans-103.119.6179.1-60.4-66.2-7100112G172 M176 V207 Q208G172-M174 VanDerWaalsContact C-N 3.26Å; G172-M174 PolarHBondContact O-N 3.16Å; M174-M176 PolarHBondContact O-N 3.4Å; M174-V207 WeakPolarHBondContact CA-O 3.45Å; M174-V207 WeakPolarHBondContact CB-O 3.39Å; M174-V207 PolarHBondContact N-O 3.27Å; M174-Q208 HydrophobicContact CB-CG 3.99Å
175D98.1Very high97.5Very high6 Ų641.2 Ų41.23%0.03221%0.214CC..  trans-69.4113.5178.1-168.9-23.1000111H171 G172 M177 V178 P179 H209H171-D175 IonicContact NE2-OD2 2.71Å; G172-D175 WeakPolarHBondContact O-CB 3.49Å; G172-D175 PolarHBondContact O-N 2.84Å; D175-M177 WeakPolarHBondContact OD1-CA 3.45Å; D175-M177 PolarHBondContact OD1-N 2.81Å; D175-V178 WeakPolarHBondContact CB-O 3.39Å; D175-V178 PolarHBondContact OD1-N 2.94Å; D175-P179 WeakPolarHBondContact O-CA 3.28Å; D175-H209 VanDerWaalsContact CG-ND1 3.34Å; D175-H209 WeakPolarHBondContact OD1-CB 3.35Å; D175-H209 IonicContact OD1-CG 3.24Å; D175-H209 IonicContact OD1-ND1 3.71Å; D175-H209 PolarHBondContact OD1-ND1 2.78Å; D175-H209 IonicContact OD2-CE1 2.73Å; D175-H209 IonicContact OD2-CG 2.72Å; D175-H209 IonicContact OD2-ND1 3.52Å; D175-H209 PolarHBondContact OD2-ND1 3.11Å
176M94.5Very high97.5Very high165 Ų16541.6 Ų41.681%0.81322%0.217SC*.SBendtrans-95.3-9.5178.9-61.2-59.5-64.100113.2M174M174-M176 PolarHBondContact O-N 3.4Å
177M94.3Very high97.5Very high102 Ų10241.2 Ų41.250%0.50221%0.214SC..SBendtrans-91.1-48.2-179.5-65.1-61.4-64.600110.7L81 D175 H209L81-M177 HydrophobicContact CD1-CE 4.42Å; D175-M177 WeakPolarHBondContact OD1-CA 3.45Å; D175-M177 PolarHBondContact OD1-N 2.81Å; M177-H209 HydrophobicContact CB-CB 3.95Å; M177-H209 HydrophobicContact CG-CB 3.81Å
178V96.1Very high97.5Very high5 Ų546.6 Ų46.63%0.0324%0.239CC..SBendtrans-121.993.8170.8-175.90000106.1W148 H171 D175 A180 F182W148-V178 HydrophobicContact CE3-CG1 4.33Å; W148-V178 HydrophobicContact CE3-CG2 4.2Å; W148-V178 HydrophobicContact CZ3-CG2 4.12Å; H171-V178 PolarHBondContact NE2-O 2.91Å; D175-V178 WeakPolarHBondContact CB-O 3.39Å; D175-V178 PolarHBondContact OD1-N 2.94Å; V178-A180 PolarHBondContact O-N 3.43Å; V178-F182 HydrophobicContact CG1-CB 4.21Å; V178-F182 HydrophobicContact CG1-CD2 4.31Å
179P96Very high97.4Very high46 Ų4648.9 Ų48.930%0.29925%0.249SC..  trans-51.4138.7-177.4-29.336.1000112.4D175 Q181 F182D175-P179 WeakPolarHBondContact O-CA 3.28Å; P179-Q181 PolarHBondContact O-N 3.19Å; P179-F182 HydrophobicContact CB-CD1 4.43Å; P179-F182 HydrophobicContact CB-CE1 4.47Å; P179-F182 HydrophobicContact CG-CE1 4.4Å; P179-F182 HydrophobicContact CG-CZ 4.25Å; P179-F182 WeakPolarHBondContact O-CB 3.25Å; P179-F182 PolarHBondContact O-N 2.82Å
180A95.7Very high97.4Very high26 Ų2648.9 Ų48.922%0.21525%0.249CC..Hα-helixtrans-54.7-26.6-179.300000113.3V178 F182 G183 A184V178-A180 PolarHBondContact O-N 3.43Å; A180-F182 VanDerWaalsContact C-N 3.26Å; A180-F182 PolarHBondContact O-N 3.46Å; A180-G183 WeakPolarHBondContact O-CA 3.33Å; A180-G183 PolarHBondContact O-N 3.28Å; A180-G183 VanDerWaalsContact O-N 3.14Å; A180-A184 PolarHBondContact O-N 3.28Å
181Q96.6Very high97.4Very high137 Ų13752.3 Ų52.364%0.6426%0.264SS*.Hα-helixtrans-57.5-36.4171.5-173.2178.16.800112.7P179 A184 M185P179-Q181 PolarHBondContact O-N 3.19Å; Q181-A184 PolarHBondContact O-N 3.24Å; Q181-M185 HydrophobicContact CG-SD 4.33Å; Q181-M185 WeakPolarHBondContact O-CB 3.4Å; Q181-M185 VanDerWaalsContact O-CG 3.27Å; Q181-M185 WeakPolarHBondContact O-CG 3.36Å; Q181-M185 PolarHBondContact O-N 3.46Å
182F95.3Very high97.3Very high34 Ų3459.9 Ų59.915%0.14929%0.294CS..Hα-helixtrans-71.1-36.8177-65.98.9000111.1L81 P83 V178 P179 A180 M185 T186L81-F182 WeakPolarHBondContact O-CE2 3.09Å; P83-F182 HydrophobicContact CG-CD1 3.81Å; P83-F182 HydrophobicContact CG-CD2 4.5Å; P83-F182 HydrophobicContact CG-CE1 3.36Å; P83-F182 HydrophobicContact CG-CE2 4.09Å; P83-F182 HydrophobicContact CG-CG 4.4Å; P83-F182 HydrophobicContact CG-CZ 3.56Å; V178-F182 HydrophobicContact CG1-CB 4.21Å; V178-F182 HydrophobicContact CG1-CD2 4.31Å; P179-F182 HydrophobicContact CB-CD1 4.43Å; P179-F182 HydrophobicContact CB-CE1 4.47Å; P179-F182 HydrophobicContact CG-CE1 4.4Å; P179-F182 HydrophobicContact CG-CZ 4.25Å; P179-F182 WeakPolarHBondContact O-CB 3.25Å; P179-F182 PolarHBondContact O-N 2.82Å; A180-F182 VanDerWaalsContact C-N 3.26Å; A180-F182 PolarHBondContact O-N 3.46Å; F182-M185 PolarHBondContact O-N 3.29Å; F182-T186 VanDerWaalsContact O-CB 3.3Å; F182-T186 WeakPolarHBondContact O-CB 3.41Å; F182-T186 PolarHBondContact O-N 3.14Å; F182-T186 PolarHBondContact O-OG1 2.74Å
183G97.6Very high97.3Very high0 Ų059.9 Ų59.90%029%0.294CS..Hα-helixtrans-57.3-49.4169.200000111Q169 A180 T186 A187Q169-G183 VanDerWaalsContact NE2-CA 3.34Å; Q169-G183 PolarHBondContact NE2-O 3.05Å; A180-G183 WeakPolarHBondContact O-CA 3.33Å; A180-G183 PolarHBondContact O-N 3.28Å; A180-G183 VanDerWaalsContact O-N 3.14Å; G183-T186 WeakPolarHBondContact O-CB 3.14Å; G183-T186 PolarHBondContact O-N 3.35Å; G183-A187 PolarHBondContact O-N 3Å
184A98.4Very high97.3Very high39 Ų3955.8 Ų55.832%0.32228%0.275SS..Hα-helixtrans-62.7-44.7177.900000112.8A180 Q181 T186 A187 E188 F201A180-A184 PolarHBondContact O-N 3.28Å; Q181-A184 PolarHBondContact O-N 3.24Å; A184-T186 VanDerWaalsContact C-N 3.27Å; A184-T186 PolarHBondContact O-N 2.78Å; A184-A187 PolarHBondContact O-N 3.1Å; A184-E188 PolarHBondContact O-N 3.38Å; A184-F201 HydrophobicContact CB-CE1 4.1Å; A184-F201 HydrophobicContact CB-CZ 4.43Å
185M97.9Very high97.2Very high92 Ų9253.1 Ų53.145%0.45326%0.263SS..Hα-helixtrans-60.1-39.4174.8-72.9172.465.400111.8P83 Q181 F182 K189P83-M185 HydrophobicContact CB-CE 4.4Å; Q181-M185 HydrophobicContact CG-SD 4.33Å; Q181-M185 WeakPolarHBondContact O-CB 3.4Å; Q181-M185 VanDerWaalsContact O-CG 3.27Å; Q181-M185 WeakPolarHBondContact O-CG 3.36Å; Q181-M185 PolarHBondContact O-N 3.46Å; F182-M185 PolarHBondContact O-N 3.29Å; M185-K189 WeakPolarHBondContact O-CB 3.5Å; M185-K189 PolarHBondContact O-N 3.44Å
186T98.5Very high97.3Very high10 Ų1056 Ų566%0.06128%0.282CS..Hα-helixtrans-63.4-48.5173.9-66.60000110.7L129 W148 L149 F182 G183 A184 E188 K189 L190L129-T186 HydrophobicContact CD1-CG2 3.89Å; W148-T186 WeakPolarHBondContact CA-OG1 3.3Å; L149-T186 HydrophobicContact CB-CG2 3.81Å; L149-T186 PolarHBondContact N-OG1 2.98Å; L149-T186 VanDerWaalsContact N-OG1 3.08Å; F182-T186 VanDerWaalsContact O-CB 3.3Å; F182-T186 WeakPolarHBondContact O-CB 3.41Å; F182-T186 PolarHBondContact O-N 3.14Å; F182-T186 PolarHBondContact O-OG1 2.74Å; G183-T186 WeakPolarHBondContact O-CB 3.14Å; G183-T186 PolarHBondContact O-N 3.35Å; A184-T186 VanDerWaalsContact C-N 3.27Å; A184-T186 PolarHBondContact O-N 2.78Å; T186-E188 VanDerWaalsContact C-N 3.33Å; T186-E188 PolarHBondContact O-N 2.93Å; T186-K189 CarbonylContact O-C 3.4Å; T186-K189 WeakPolarHBondContact O-CB 3.39Å; T186-K189 PolarHBondContact O-N 3.26Å; T186-K189 VanDerWaalsContact O-N 3.11Å; T186-L190 HydrophobicContact CG2-CD1 3.89Å; T186-L190 HydrophobicContact CG2-CG 4.18Å; T186-L190 VanDerWaalsContact O-CG 3.24Å; T186-L190 WeakPolarHBondContact O-CG 3.5Å; T186-L190 PolarHBondContact O-N 3.02Å
187A98.8Very high97.4Very high0 Ų055.4 Ų55.40%028%0.277CS..Hα-helixtrans-57.8-44.6178.900000112.1Q169 G183 A184 L190 K191 F201Q169-A187 VanDerWaalsContact OE1-CA 3.29Å; G183-A187 PolarHBondContact O-N 3Å; A184-A187 PolarHBondContact O-N 3.1Å; A187-L190 PolarHBondContact O-N 2.95Å; A187-K191 WeakPolarHBondContact O-CG 3.47Å; A187-K191 PolarHBondContact O-N 3.47Å; A187-F201 HydrophobicContact CB-CB 3.93Å; A187-F201 HydrophobicContact CB-CD1 4.16Å; A187-F201 HydrophobicContact CB-CD2 4.14Å; A187-F201 HydrophobicContact CB-CG 3.82Å
188E98.4Very high97.6Very high114 Ų11452.3 Ų52.353%0.53326%0.262SS..Hα-helixtrans-64.2-41.5175.8-69.7-52.4120.300112A184 T186 L190 K191 Y192A184-E188 PolarHBondContact O-N 3.38Å; T186-E188 VanDerWaalsContact C-N 3.33Å; T186-E188 PolarHBondContact O-N 2.93Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.41Å; E188-K191 PolarHBondContact O-N 2.78Å; E188-K191 IonicContact OE1-NZ 3.88Å; E188-K191 PolarHBondContact OE1-NZ 3.11Å; E188-Y192 PolarHBondContact O-N 3.01Å
189K98.4Very high97.7Very high51 Ų5152.7 Ų52.722%0.22226%0.264CS..Hα-helixtrans-63.6-39174.8-173.261177.5-169.60111.8L149 H152 F155 M185 T186 Y192 I193L149-K189 HydrophobicContact CD2-CG 3.82Å; H152-K189 WeakPolarHBondContact O-CE 3.32Å; F155-K189 WeakPolarHBondContact O-CE 3.49Å; F155-K189 PolarHBondContact O-NZ 2.97Å; M185-K189 WeakPolarHBondContact O-CB 3.5Å; M185-K189 PolarHBondContact O-N 3.44Å; T186-K189 CarbonylContact O-C 3.4Å; T186-K189 WeakPolarHBondContact O-CB 3.39Å; T186-K189 PolarHBondContact O-N 3.26Å; T186-K189 VanDerWaalsContact O-N 3.11Å; K189-Y192 WeakPolarHBondContact O-CB 3.36Å; K189-Y192 PolarHBondContact O-N 3.44Å; K189-I193 HydrophobicContact CD-CD1 4.43Å; K189-I193 HydrophobicContact CG-CD1 3.91Å; K189-I193 WeakPolarHBondContact O-CD1 3.09Å; K189-I193 VanDerWaalsContact O-CG1 3.26Å; K189-I193 WeakPolarHBondContact O-CG1 3.07Å; K189-I193 PolarHBondContact O-N 3.41Å; K189-I193 VanDerWaalsContact O-N 3.14Å
190L98.6Very high97.9Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-63.1-44.6176.3-68.6172.4000111.4L129 L133 I167 T186 A187 E188 Y192 I193 V194 V199L129-L190 HydrophobicContact CD2-CD1 3.93Å; L129-L190 HydrophobicContact CD2-CD2 4.11Å; L133-L190 HydrophobicContact CD1-CD2 3.71Å; I167-L190 HydrophobicContact CD1-CD1 4.29Å; I167-L190 HydrophobicContact CD1-CD2 3.98Å; I167-L190 HydrophobicContact CG2-CD1 4.16Å; T186-L190 HydrophobicContact CG2-CD1 3.89Å; T186-L190 HydrophobicContact CG2-CG 4.18Å; T186-L190 VanDerWaalsContact O-CG 3.24Å; T186-L190 WeakPolarHBondContact O-CG 3.5Å; T186-L190 PolarHBondContact O-N 3.02Å; A187-L190 PolarHBondContact O-N 2.95Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.41Å; L190-Y192 PolarHBondContact O-N 2.65Å; L190-Y192 VanDerWaalsContact O-N 3.16Å; L190-I193 PolarHBondContact O-N 2.76Å; L190-V194 VanDerWaalsContact O-CG2 3.3Å; L190-V194 WeakPolarHBondContact O-CG2 3.46Å; L190-V194 PolarHBondContact O-N 3.01Å; L190-V199 HydrophobicContact CB-CG1 4.3Å; L190-V199 HydrophobicContact CB-CG2 4.11Å
191K98.3Very high98Very high72 Ų7255.2 Ų55.231%0.31327%0.271SS..Hα-helixtrans-60.2-24174.9-68.6170-171.6169.20113.3A187 E188 P196 V199A187-K191 WeakPolarHBondContact O-CG 3.47Å; A187-K191 PolarHBondContact O-N 3.47Å; E188-K191 PolarHBondContact O-N 2.78Å; E188-K191 IonicContact OE1-NZ 3.88Å; E188-K191 PolarHBondContact OE1-NZ 3.11Å; K191-P196 HydrophobicContact CB-CB 4.2Å; K191-P196 HydrophobicContact CB-CG 4.4Å; K191-P196 HydrophobicContact CG-CB 4.23Å; K191-P196 WeakPolarHBondContact O-CG 3.45Å; K191-V199 HydrophobicContact CG-CB 4.04Å; K191-V199 HydrophobicContact CG-CG1 4.25Å; K191-V199 HydrophobicContact CG-CG2 4.25Å
192Y97.4Very high98.1Very high160 Ų16052.4 Ų52.463%0.62726%0.257SS*.Hα-helixtrans-81.1-29.8172.1-176-102.4000113P156 E188 K189 L190P156-Y192 HydrophobicContact CB-CE1 4.44Å; P156-Y192 HydrophobicContact CG-CD1 4.39Å; P156-Y192 HydrophobicContact CG-CE1 3.75Å; E188-Y192 PolarHBondContact O-N 3.01Å; K189-Y192 WeakPolarHBondContact O-CB 3.36Å; K189-Y192 PolarHBondContact O-N 3.44Å; L190-Y192 PolarHBondContact O-N 2.65Å; L190-Y192 VanDerWaalsContact O-N 3.16Å
193I97.9Very high98.3Very high0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-85.2-41.8-177.2-62.7161.2000111.6L133 L149 F155 P156 K163 K189 L190L133-I193 HydrophobicContact CD1-CD1 4.39Å; L133-I193 HydrophobicContact CD2-CG2 4.03Å; L149-I193 HydrophobicContact CD2-CD1 3.64Å; F155-I193 HydrophobicContact CB-CD1 3.4Å; F155-I193 VanDerWaalsContact CB-CD1 3.4Å; F155-I193 HydrophobicContact CB-CG1 3.85Å; F155-I193 HydrophobicContact CD1-CD1 3.86Å; F155-I193 HydrophobicContact CD1-CG1 4.42Å; F155-I193 HydrophobicContact CD1-CG2 4.28Å; F155-I193 HydrophobicContact CG-CD1 3.68Å; F155-I193 HydrophobicContact CG-CG1 4.44Å; P156-I193 HydrophobicContact CB-CG1 4.38Å; K163-I193 WeakPolarHBondContact CD-O 3Å; K163-I193 WeakPolarHBondContact CE-O 3.28Å; K163-I193 PolarHBondContact NZ-O 3.16Å; K189-I193 HydrophobicContact CD-CD1 4.43Å; K189-I193 HydrophobicContact CG-CD1 3.91Å; K189-I193 WeakPolarHBondContact O-CD1 3.09Å; K189-I193 VanDerWaalsContact O-CG1 3.26Å; K189-I193 WeakPolarHBondContact O-CG1 3.07Å; K189-I193 PolarHBondContact O-N 3.41Å; K189-I193 VanDerWaalsContact O-N 3.14Å; L190-I193 PolarHBondContact O-N 2.76Å
194V97.8Very high98.3Very high5 Ų554.6 Ų54.63%0.0327%0.271CS..SBendtrans-115.5174.5-178.7-56.70000110.5L133 K163 I165 I167 L190 P196 V199L133-V194 HydrophobicContact CD2-CG1 3.74Å; K163-V194 WeakPolarHBondContact O-CB 3.41Å; I165-V194 HydrophobicContact CG2-CG1 3.83Å; I167-V194 HydrophobicContact CD1-CG2 4.18Å; L190-V194 VanDerWaalsContact O-CG2 3.3Å; L190-V194 WeakPolarHBondContact O-CG2 3.46Å; L190-V194 PolarHBondContact O-N 3.01Å; V194-P196 WeakPolarHBondContact O-CD 3.45Å; V194-V199 HydrophobicContact CG2-CG2 3.4Å; V194-V199 VanDerWaalsContact CG2-CG2 3.4Å
195N97.7Very high98.3Very high52 Ų5257.4 Ų57.428%0.27829%0.286SS..  trans-59.6119.5172.5-178.4-10.1000109.2K163 N164 Q197 M198K163-N195 WeakPolarHBondContact O-CB 3.45Å; K163-N195 PolarHBondContact O-N 2.86Å; N164-N195 PolarHBondContact OD1-ND2 3.14Å; N195-Q197 PolarHBondContact O-N 3.03Å; N195-Q197 VanDerWaalsContact O-N 3.09Å; N195-Q197 PolarHBondContact OD1-N 3.39Å; N195-Q197 PolarHBondContact OD1-OE1 2.79Å; N195-M198 HydrophobicContact CB-CG 3.87Å; N195-M198 VanDerWaalsContact O-CB 3.31Å; N195-M198 WeakPolarHBondContact O-CB 3.38Å; N195-M198 PolarHBondContact O-N 3.5Å
196P98.1Very high98.3Very high66 Ų6655.9 Ų55.943%0.42929%0.294SS..G310 helixtrans-54.3-32.5-175.2-26.532.2000114.2K191 V194 M198 V199K191-P196 HydrophobicContact CB-CB 4.2Å; K191-P196 HydrophobicContact CB-CG 4.4Å; K191-P196 HydrophobicContact CG-CB 4.23Å; K191-P196 WeakPolarHBondContact O-CG 3.45Å; V194-P196 WeakPolarHBondContact O-CD 3.45Å; P196-M198 PolarHBondContact O-N 3.28Å; P196-V199 PolarHBondContact O-N 3.28Å
197Q97.9Very high98.3Very high152 Ų15256.6 Ų56.671%0.7130%0.298SS*.G310 helixtrans-65.4-17.7178.6-72.679.3-20.700112.8N195N195-Q197 PolarHBondContact O-N 3.03Å; N195-Q197 VanDerWaalsContact O-N 3.09Å; N195-Q197 PolarHBondContact OD1-N 3.39Å; N195-Q197 PolarHBondContact OD1-OE1 2.79Å
198M98.3Very high98.3Very high37 Ų3762.9 Ų62.918%0.18233%0.327CS..G310 helixtrans-89.5-7.4177.2-57.2-54.2-57.300112.7N164 I165 P166 I167 N195 P196 Y226N164-M198 WeakPolarHBondContact O-CE 3.41Å; I165-M198 WeakPolarHBondContact O-CB 3.46Å; P166-M198 CarbonylContact C-O 3.36Å; P166-M198 HydrophobicContact CB-CE 3.64Å; P166-M198 HydrophobicContact CG-CE 3.37Å; I167-M198 PolarHBondContact N-O 3.41Å; N195-M198 HydrophobicContact CB-CG 3.87Å; N195-M198 VanDerWaalsContact O-CB 3.31Å; N195-M198 WeakPolarHBondContact O-CB 3.38Å; N195-M198 PolarHBondContact O-N 3.5Å; P196-M198 PolarHBondContact O-N 3.28Å; M198-Y226 HydrophobicContact CE-CE1 4.46Å
199V98.8Very high98.2Very high14 Ų1459.9 Ų59.99%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-103.6115.9-179.1-175.30000109.9L190 K191 V194 P196L190-V199 HydrophobicContact CB-CG1 4.3Å; L190-V199 HydrophobicContact CB-CG2 4.11Å; K191-V199 HydrophobicContact CG-CB 4.04Å; K191-V199 HydrophobicContact CG-CG1 4.25Å; K191-V199 HydrophobicContact CG-CG2 4.25Å; V194-V199 HydrophobicContact CG2-CG2 3.4Å; V194-V199 VanDerWaalsContact CG2-CG2 3.4Å; P196-V199 PolarHBondContact O-N 3.28Å
200T98.8Very high98.2Very high63 Ų6360.5 Ų60.539%0.38732%0.324SS..EExtended strand (participates in β ladder)trans-108.5122.3169.9-57.20000108.7I167 L168 Q169 K202I167-T200 PolarHBondContact O-N 3.04Å; L168-T200 HydrophobicContact CD1-CG2 4.1Å; Q169-T200 PolarHBondContact N-O 2.94Å; T200-K202 HydrophobicContact CG2-CG 4.15Å
201F98.8Very high98Very high62 Ų6262.1 Ų62.127%0.27234%0.335SS..EExtended strand (participates in β ladder)trans-112.4119.1173.8-178.3-127.1000109.4Q169 H171 A184 A187 T203Q169-F201 HydrophobicContact CB-CD2 3.95Å; Q169-F201 HydrophobicContact CG-CD2 3.77Å; Q169-F201 HydrophobicContact CG-CE2 4.07Å; Q169-F201 CarbonylContact O-C 3.44Å; Q169-F201 WeakPolarHBondContact O-CA 3.33Å; H171-F201 HydrophobicContact CB-CE2 3.93Å; H171-F201 HydrophobicContact CB-CZ 4.15Å; A184-F201 HydrophobicContact CB-CE1 4.1Å; A184-F201 HydrophobicContact CB-CZ 4.43Å; A187-F201 HydrophobicContact CB-CB 3.93Å; A187-F201 HydrophobicContact CB-CD1 4.16Å; A187-F201 HydrophobicContact CB-CD2 4.14Å; A187-F201 HydrophobicContact CB-CG 3.82Å; F201-T203 HydrophobicContact CD1-CG2 4.44Å; F201-T203 HydrophobicContact CE1-CG2 3.68Å; F201-T203 HydrophobicContact CE2-CG2 4.42Å; F201-T203 HydrophobicContact CZ-CG2 3.67Å
202K98.8Very high98Very high77 Ų7759.6 Ų59.634%0.33533%0.326SS..EExtended strand (participates in β ladder)trans-116.1134.3177.5-67.5-172.7175.9-174.70109.7L168 Q169 C170 H171 T200 Y204 A218L168-K202 HydrophobicContact CD1-CD 4.31Å; L168-K202 HydrophobicContact CD1-CG 4.45Å; Q169-K202 PolarHBondContact O-N 3.23Å; C170-K202 CarbonylContact C-O 3.55Å; C170-K202 VanDerWaalsContact CA-O 3.28Å; C170-K202 WeakPolarHBondContact CA-O 3.49Å; H171-K202 PolarHBondContact N-O 3.3Å; T200-K202 HydrophobicContact CG2-CG 4.15Å; K202-Y204 HydrophobicContact CB-CE2 3.96Å; K202-Y204 WeakPolarHBondContact CD-OH 3.24Å; K202-A218 HydrophobicContact CD-CB 3.97Å
203T98.7Very high98Very high58 Ų5856.3 Ų56.336%0.35633%0.325SS..EExtended strand (participates in β ladder)trans-110.8150.3170.959.80000110.5H171 E173 F201H171-T203 CarbonylContact O-C 3.2Å; H171-T203 VanDerWaalsContact O-CA 3.24Å; H171-T203 WeakPolarHBondContact O-CA 3.46Å; E173-T203 WeakPolarHBondContact OE1-CB 3.37Å; E173-T203 PolarHBondContact OE1-OG1 3.31Å; F201-T203 HydrophobicContact CD1-CG2 4.44Å; F201-T203 HydrophobicContact CE1-CG2 3.68Å; F201-T203 HydrophobicContact CE2-CG2 4.42Å; F201-T203 HydrophobicContact CZ-CG2 3.67Å
204Y98.7Very high98Very high23 Ų2362 Ų629%0.0935%0.351CS..EExtended strand (participates in β ladder)trans-122.6109.4-177.3-59.7-88.4000110.1C170 H171 E173 K202 V207 E214 E215 A218C170-Y204 HydrophobicContact CB-CE2 3.72Å; H171-Y204 PolarHBondContact O-N 3.37Å; E173-Y204 PolarHBondContact N-O 2.91Å; K202-Y204 HydrophobicContact CB-CE2 3.96Å; K202-Y204 WeakPolarHBondContact CD-OH 3.24Å; Y204-V207 PolarHBondContact O-N 3.12Å; Y204-E214 HydrophobicContact CD1-CB 4.17Å; Y204-E214 HydrophobicContact CE1-CB 4.01Å; Y204-E215 HydrophobicContact CD1-CB 4.37Å; Y204-E215 HydrophobicContact CD2-CB 4.2Å; Y204-E215 HydrophobicContact CD2-CG 4.36Å; Y204-E215 HydrophobicContact CE1-CB 3.95Å; Y204-E215 HydrophobicContact CE2-CB 3.8Å; Y204-E215 HydrophobicContact CE2-CG 3.74Å; Y204-E215 HydrophobicContact CG-CB 4.49Å; Y204-E215 VanDerWaalsContact CZ-CA 3.48Å; Y204-E215 WeakPolarHBondContact OH-CA 3.17Å; Y204-A218 WeakPolarHBondContact OH-CB 3.39Å
205P98.2Very high98.1Very high98 Ų9861.8 Ų61.864%0.63635%0.35SS*.THydrogen-bonded Turntrans-58.9137.5179.5-26.234.5000112.7E173 V207E173-P205 WeakPolarHBondContact OE2-CA 3.4Å; P205-V207 PolarHBondContact O-N 2.96Å; P205-V207 VanDerWaalsContact O-N 3.15Å
206G97.5Very high98.1Very high60 Ų6060.2 Ų60.262%0.61934%0.341SS*.THydrogen-bonded Turntrans75.3-9.4178.400000115.4
207V98.3Very high98.1Very high24 Ų2461.6 Ų61.615%0.14534%0.344CS..  trans-80.4132176.7-177.50000109.7G172 E173 M174 Y204 P205 S210 C212G172-V207 CarbonylContact C-O 3.39Å; G172-V207 WeakPolarHBondContact CA-O 3.37Å; E173-V207 PolarHBondContact N-O 2.99Å; M174-V207 WeakPolarHBondContact CA-O 3.45Å; M174-V207 WeakPolarHBondContact CB-O 3.39Å; M174-V207 PolarHBondContact N-O 3.27Å; Y204-V207 PolarHBondContact O-N 3.12Å; P205-V207 PolarHBondContact O-N 2.96Å; P205-V207 VanDerWaalsContact O-N 3.15Å; V207-S210 WeakPolarHBondContact CG1-O 3.44Å; V207-C212 HydrophobicContact CG2-CB 3.87Å
208Q98.4Very high98.2Very high132 Ų13254.6 Ų54.662%0.61731%0.312SS*.  trans-93.5-146.4177.7-60.5-179-400110.7M174 S210M174-Q208 HydrophobicContact CB-CG 3.99Å; Q208-S210 PolarHBondContact O-N 3.12Å
209H97.8Very high98.2Very high52 Ų5252.9 Ų52.924%0.24130%0.304CS..SBendtrans-77.565.4173.3-159.159.4000111.7F121 S122 D175 M177F121-H209 AromaticContact CE1-CD2 3.87Å; F121-H209 AromaticContact CE1-CE1 3.98Å; F121-H209 AromaticContact CE1-NE2 3.53Å; F121-H209 AromaticContact CZ-CD2 3.76Å; F121-H209 AromaticContact CZ-CE1 3.75Å; F121-H209 AromaticContact CZ-CG 3.94Å; F121-H209 AromaticContact CZ-ND1 3.92Å; F121-H209 AromaticContact CZ-NE2 3.67Å; S122-H209 WeakPolarHBondContact CB-NE2 3.23Å; S122-H209 PolarHBondContact OG-CE1 2.91Å; S122-H209 PolarHBondContact OG-NE2 3.05Å; S122-H209 VanDerWaalsContact OG-NE2 3.12Å; D175-H209 VanDerWaalsContact CG-ND1 3.34Å; D175-H209 WeakPolarHBondContact OD1-CB 3.35Å; D175-H209 IonicContact OD1-CG 3.24Å; D175-H209 IonicContact OD1-ND1 3.71Å; D175-H209 PolarHBondContact OD1-ND1 2.78Å; D175-H209 IonicContact OD2-CE1 2.73Å; D175-H209 IonicContact OD2-CG 2.72Å; D175-H209 IonicContact OD2-ND1 3.52Å; D175-H209 PolarHBondContact OD2-ND1 3.11Å; M177-H209 HydrophobicContact CB-CB 3.95Å; M177-H209 HydrophobicContact CG-CB 3.81Å
210S96.9Very high98.2Very high64 Ų6457.1 Ų57.145%0.44832%0.319SS..SBendtrans-154.6171-178-178.50000109.6V207 Q208V207-S210 WeakPolarHBondContact CG1-O 3.44Å; Q208-S210 PolarHBondContact O-N 3.12Å
211S95.8Very high98.2Very high34 Ų3459.8 Ų59.824%0.23833%0.326CS..  trans-88.2167.6163.759.20000112.7E215S211-E215 WeakPolarHBondContact CA-OE2 3.2Å; S211-E215 WeakPolarHBondContact CB-OE2 3.4Å
212C97.8Very high98.2Very high18 Ų1857.7 Ų57.712%0.12232%0.317CS..  trans-137.9165170.278.80000112.1V207 E214 E215 M216V207-C212 HydrophobicContact CG2-CB 3.87Å; C212-E214 VanDerWaalsContact C-N 3.33Å; C212-E214 PolarHBondContact O-N 3.37Å; C212-E214 PolarHBondContact SG-OE2 3.27Å; C212-E215 WeakPolarHBondContact O-CB 3.49Å; C212-E215 PolarHBondContact O-N 3.44Å; C212-E215 PolarHBondContact SG-N 3.22Å; C212-E215 VanDerWaalsContact SG-N 3.41Å; C212-M216 WeakPolarHBondContact O-CG 3.39Å; C212-M216 PolarHBondContact O-N 2.72Å
213P97.4Very high98.2Very high92 Ų9254 Ų5460%0.59730%0.302SS*.Hα-helixtrans-56.5-41.4-179.8-2736.4000114.1E215 M216 L217P213-E215 VanDerWaalsContact C-N 3.33Å; P213-E215 PolarHBondContact O-N 3.42Å; P213-M216 PolarHBondContact O-N 3.24Å; P213-L217 WeakPolarHBondContact O-CG 3.36Å; P213-L217 PolarHBondContact O-N 3.41Å
214E98.4Very high98.2Very high119 Ų11956.2 Ų56.256%0.55631%0.308SS*.Hα-helixtrans-64.4-38.3178.4-61.276.1-168.100111.6Y204 C212 L217 A218Y204-E214 HydrophobicContact CD1-CB 4.17Å; Y204-E214 HydrophobicContact CE1-CB 4.01Å; C212-E214 VanDerWaalsContact C-N 3.33Å; C212-E214 PolarHBondContact O-N 3.37Å; C212-E214 PolarHBondContact SG-OE2 3.27Å; E214-L217 PolarHBondContact O-N 2.9Å; E214-A218 PolarHBondContact O-N 3.17Å
215E98.6Very high98.2Very high1 Ų161.9 Ų61.91%0.00533%0.333CS..Hα-helixtrans-64-45.9173.7-175.1-173.8-126.500111.1L145 C170 Y204 S211 C212 P213 L217 A218 V219L145-E215 HydrophobicContact CD2-CG 4.33Å; C170-E215 HydrophobicContact CB-CG 3.78Å; C170-E215 WeakPolarHBondContact CB-OE1 3.41Å; Y204-E215 HydrophobicContact CD1-CB 4.37Å; Y204-E215 HydrophobicContact CD2-CB 4.2Å; Y204-E215 HydrophobicContact CD2-CG 4.36Å; Y204-E215 HydrophobicContact CE1-CB 3.95Å; Y204-E215 HydrophobicContact CE2-CB 3.8Å; Y204-E215 HydrophobicContact CE2-CG 3.74Å; Y204-E215 HydrophobicContact CG-CB 4.49Å; Y204-E215 VanDerWaalsContact CZ-CA 3.48Å; Y204-E215 WeakPolarHBondContact OH-CA 3.17Å; S211-E215 WeakPolarHBondContact CA-OE2 3.2Å; S211-E215 WeakPolarHBondContact CB-OE2 3.4Å; C212-E215 WeakPolarHBondContact O-CB 3.49Å; C212-E215 PolarHBondContact O-N 3.44Å; C212-E215 PolarHBondContact SG-N 3.22Å; C212-E215 VanDerWaalsContact SG-N 3.41Å; P213-E215 VanDerWaalsContact C-N 3.33Å; P213-E215 PolarHBondContact O-N 3.42Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.09Å; E215-A218 WeakPolarHBondContact O-CB 3.38Å; E215-A218 PolarHBondContact O-N 2.87Å; E215-A218 VanDerWaalsContact O-N 3.1Å; E215-V219 WeakPolarHBondContact O-CG2 3.2Å; E215-V219 PolarHBondContact O-N 3.34Å
216M98.5Very high98.2Very high19 Ų1960.1 Ų60.19%0.09431%0.314CS..Hα-helixtrans-64.7-34.1178.7-65-53-65.200112.4W40 L44 I47 C212 P213 V219 R220W40-M216 HydrophobicContact CZ3-SD 4.34Å; L44-M216 HydrophobicContact CD2-CE 4.16Å; I47-M216 HydrophobicContact CD1-CE 3.7Å; I47-M216 HydrophobicContact CG1-CE 4.04Å; I47-M216 HydrophobicContact CG2-CB 4.08Å; C212-M216 WeakPolarHBondContact O-CG 3.39Å; C212-M216 PolarHBondContact O-N 2.72Å; P213-M216 PolarHBondContact O-N 3.24Å; M216-V219 PolarHBondContact O-N 3.36Å; M216-R220 WeakPolarHBondContact O-CB 3.48Å; M216-R220 PolarHBondContact O-N 3.24Å
217L98.4Very high98.2Very high94 Ų9457.2 Ų57.249%0.49228%0.284SS..Hα-helixtrans-63.4-44.3170.8-71.6173.8000111.6P213 E214 E215 V219 R220 E221P213-L217 WeakPolarHBondContact O-CG 3.36Å; P213-L217 PolarHBondContact O-N 3.41Å; E214-L217 PolarHBondContact O-N 2.9Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.09Å; L217-V219 VanDerWaalsContact C-N 3.3Å; L217-V219 PolarHBondContact O-N 2.89Å; L217-R220 WeakPolarHBondContact O-CB 3.45Å; L217-R220 PolarHBondContact O-N 3.06Å; L217-E221 WeakPolarHBondContact O-CG 3.44Å; L217-E221 PolarHBondContact O-N 3.34Å
218A98.8Very high98.2Very high5 Ų559.2 Ų59.24%0.04130%0.297CS..Hα-helixtrans-61.6-38.6175.300000112.4L168 K202 Y204 E214 E215 F222L168-A218 HydrophobicContact CD2-CB 4.44Å; K202-A218 HydrophobicContact CD-CB 3.97Å; Y204-A218 WeakPolarHBondContact OH-CB 3.39Å; E214-A218 PolarHBondContact O-N 3.17Å; E215-A218 WeakPolarHBondContact O-CB 3.38Å; E215-A218 PolarHBondContact O-N 2.87Å; E215-A218 VanDerWaalsContact O-N 3.1Å; A218-F222 WeakPolarHBondContact O-CB 3.18Å; A218-F222 PolarHBondContact O-N 3.19Å
219V98.8Very high98.1Very high2 Ų261.2 Ų61.21%0.01230%0.3CS..Hα-helixtrans-62.5-46.1173.7173.80000110.6I47 V143 L145 L168 E215 M216 L217 E221 F222 I223I47-V219 HydrophobicContact CD1-CB 4.11Å; I47-V219 HydrophobicContact CD1-CG1 3.64Å; V143-V219 HydrophobicContact CG1-CG1 4.07Å; V143-V219 HydrophobicContact CG1-CG2 3.77Å; V143-V219 HydrophobicContact CG2-CG1 4.4Å; L145-V219 HydrophobicContact CD2-CG2 3.95Å; L168-V219 HydrophobicContact CD2-CG2 4.1Å; E215-V219 WeakPolarHBondContact O-CG2 3.2Å; E215-V219 PolarHBondContact O-N 3.34Å; M216-V219 PolarHBondContact O-N 3.36Å; L217-V219 VanDerWaalsContact C-N 3.3Å; L217-V219 PolarHBondContact O-N 2.89Å; V219-E221 PolarHBondContact O-N 3.26Å; V219-F222 PolarHBondContact O-N 3.14Å; V219-I223 HydrophobicContact CG1-CD1 3.72Å; V219-I223 HydrophobicContact CG1-CG1 4.37Å; V219-I223 VanDerWaalsContact O-CG1 3.26Å; V219-I223 WeakPolarHBondContact O-CG1 3.49Å; V219-I223 PolarHBondContact O-N 2.99Å
220R98.5Very high97.9Very high103 Ų10366.6 Ų66.639%0.38933%0.328SS..Hα-helixtrans-57.6-50.6177-174.3179.8164.2173.8-3.5112.1I47 M216 L217 F222 I223 E224I47-R220 HydrophobicContact CB-CB 3.91Å; I47-R220 HydrophobicContact CB-CG 4.14Å; I47-R220 HydrophobicContact CD1-CB 4.37Å; I47-R220 HydrophobicContact CG2-CB 4.11Å; M216-R220 WeakPolarHBondContact O-CB 3.48Å; M216-R220 PolarHBondContact O-N 3.24Å; L217-R220 WeakPolarHBondContact O-CB 3.45Å; L217-R220 PolarHBondContact O-N 3.06Å; R220-F222 VanDerWaalsContact C-N 3.28Å; R220-F222 PolarHBondContact O-N 3.28Å; R220-I223 PolarHBondContact O-N 2.87Å; R220-E224 WeakPolarHBondContact O-CB 3.49Å; R220-E224 PolarHBondContact O-N 3.41Å
221E98.8Very high97.9Very high118 Ų11866.7 Ų66.755%0.55132%0.322SS*.Hα-helixtrans-59.7-40179.7-71.9173173.300111.7L217 V219 E224 K225L217-E221 WeakPolarHBondContact O-CG 3.44Å; L217-E221 PolarHBondContact O-N 3.34Å; V219-E221 PolarHBondContact O-N 3.26Å; E221-E224 PolarHBondContact O-N 3.07Å; E221-K225 VanDerWaalsContact O-CB 3.31Å; E221-K225 WeakPolarHBondContact O-CB 3.44Å; E221-K225 PolarHBondContact O-N 3.43Å
222F98.9Very high98Very high18 Ų1868.4 Ų68.48%0.07933%0.327CS..Hα-helixtrans-64.6-46.8176179.6-91.2000112I117 V142 V143 P166 L168 A218 V219 R220 E224 K225 Y226I117-F222 HydrophobicContact CD1-CD1 4.09Å; I117-F222 HydrophobicContact CD1-CE1 3.93Å; V142-F222 WeakPolarHBondContact O-CZ 3.02Å; V143-F222 HydrophobicContact CG2-CD1 3.62Å; V143-F222 HydrophobicContact CG2-CE1 3.78Å; P166-F222 HydrophobicContact CB-CE2 3.85Å; P166-F222 HydrophobicContact CB-CZ 3.8Å; L168-F222 HydrophobicContact CB-CB 4.37Å; L168-F222 HydrophobicContact CB-CD1 4.28Å; L168-F222 HydrophobicContact CB-CD2 3.58Å; L168-F222 HydrophobicContact CB-CE1 4.46Å; L168-F222 HydrophobicContact CB-CE2 3.78Å; L168-F222 HydrophobicContact CB-CG 3.83Å; L168-F222 HydrophobicContact CB-CZ 4.22Å; L168-F222 HydrophobicContact CD2-CB 3.8Å; L168-F222 HydrophobicContact CD2-CG 4.15Å; A218-F222 WeakPolarHBondContact O-CB 3.18Å; A218-F222 PolarHBondContact O-N 3.19Å; V219-F222 PolarHBondContact O-N 3.14Å; R220-F222 VanDerWaalsContact C-N 3.28Å; R220-F222 PolarHBondContact O-N 3.28Å; F222-E224 VanDerWaalsContact C-N 3.35Å; F222-E224 PolarHBondContact O-N 3.18Å; F222-K225 PolarHBondContact O-N 3.26Å; F222-Y226 HydrophobicContact CD1-CD2 4.25Å; F222-Y226 AromaticContact CD2-CD2 3.69Å; F222-Y226 HydrophobicContact CD2-CD2 3.69Å; F222-Y226 AromaticContact CD2-CE2 3.55Å; F222-Y226 HydrophobicContact CD2-CE2 3.55Å; F222-Y226 HydrophobicContact CE1-CD2 4.11Å; F222-Y226 AromaticContact CE2-CD2 3.55Å; F222-Y226 HydrophobicContact CE2-CD2 3.55Å; F222-Y226 AromaticContact CE2-CE2 3.33Å; F222-Y226 HydrophobicContact CE2-CE2 3.33Å; F222-Y226 HydrophobicContact CG-CD2 4.06Å; F222-Y226 HydrophobicContact CG-CE2 4.35Å; F222-Y226 AromaticContact CZ-CD2 3.77Å; F222-Y226 HydrophobicContact CZ-CD2 3.77Å; F222-Y226 AromaticContact CZ-CE2 3.97Å; F222-Y226 HydrophobicContact CZ-CE2 3.97Å; F222-Y226 VanDerWaalsContact O-CD2 3.31Å; F222-Y226 WeakPolarHBondContact O-CD2 3.5Å; F222-Y226 PolarHBondContact O-N 2.85Å; F222-Y226 VanDerWaalsContact O-N 3.1Å
223I98.8Very high98.1Very high1 Ų171.2 Ų71.21%0.00534%0.338CS..Hα-helixtrans-60.4-46.4176.3-66.7168000109.9V27 I47 L49 V52 F54 I117 V219 R220 K225 Y226 L227V27-I223 HydrophobicContact CG2-CD1 4.05Å; V27-I223 HydrophobicContact CG2-CG1 4.28Å; V27-I223 HydrophobicContact CG2-CG2 4.24Å; I47-I223 HydrophobicContact CD1-CD1 4.28Å; L49-I223 HydrophobicContact CD1-CB 4.48Å; L49-I223 HydrophobicContact CD1-CG2 3.68Å; L49-I223 HydrophobicContact CG-CG2 4.42Å; V52-I223 HydrophobicContact CG2-CG2 4.44Å; F54-I223 HydrophobicContact CE1-CD1 3.83Å; F54-I223 HydrophobicContact CZ-CD1 4.28Å; I117-I223 HydrophobicContact CD1-CB 4.39Å; I117-I223 HydrophobicContact CD1-CG1 4.06Å; V219-I223 HydrophobicContact CG1-CD1 3.72Å; V219-I223 HydrophobicContact CG1-CG1 4.37Å; V219-I223 VanDerWaalsContact O-CG1 3.26Å; V219-I223 WeakPolarHBondContact O-CG1 3.49Å; V219-I223 PolarHBondContact O-N 2.99Å; R220-I223 PolarHBondContact O-N 2.87Å; I223-K225 VanDerWaalsContact C-N 3.33Å; I223-K225 PolarHBondContact O-N 3.15Å; I223-Y226 PolarHBondContact O-N 3.04Å; I223-L227 HydrophobicContact CG2-CD1 4.07Å; I223-L227 WeakPolarHBondContact O-CA 3.4Å; I223-L227 VanDerWaalsContact O-CB 3.3Å; I223-L227 WeakPolarHBondContact O-CB 3.22Å; I223-L227 PolarHBondContact O-N 3.25Å
224E98.4Very high98.1Very high104 Ų10470 Ų7049%0.48632%0.323SS..Hα-helixtrans-62.1-40.6-179.6-174.7165.4-165.800112.2L49 R220 E221 F222L49-E224 HydrophobicContact CD1-CB 3.99Å; R220-E224 WeakPolarHBondContact O-CB 3.49Å; R220-E224 PolarHBondContact O-N 3.41Å; E221-E224 PolarHBondContact O-N 3.07Å; F222-E224 VanDerWaalsContact C-N 3.35Å; F222-E224 PolarHBondContact O-N 3.18Å
225K98.6Very high98.1Very high141 Ų14166.9 Ų66.961%0.61331%0.308SS*.Hα-helixtrans-63.6-44.5177-179.8178.5178.1-177.30112.9E221 F222 I223E221-K225 VanDerWaalsContact O-CB 3.31Å; E221-K225 WeakPolarHBondContact O-CB 3.44Å; E221-K225 PolarHBondContact O-N 3.43Å; F222-K225 PolarHBondContact O-N 3.26Å; I223-K225 VanDerWaalsContact C-N 3.33Å; I223-K225 PolarHBondContact O-N 3.15Å
226Y98.6Very high98Very high61 Ų6171.3 Ų71.324%0.23933%0.328CS..Hα-helixtrans-97.8-12.3-172.2-67.6-66.4000114.3P166 M198 F222 I223P166-Y226 HydrophobicContact CB-CD1 4.13Å; P166-Y226 HydrophobicContact CB-CD2 3.92Å; P166-Y226 HydrophobicContact CB-CE1 3.72Å; P166-Y226 HydrophobicContact CB-CE2 3.48Å; P166-Y226 VanDerWaalsContact CB-CE2 3.48Å; P166-Y226 HydrophobicContact CB-CG 4.23Å; P166-Y226 HydrophobicContact CG-CD1 3.5Å; P166-Y226 VanDerWaalsContact CG-CD1 3.5Å; P166-Y226 HydrophobicContact CG-CD2 4.17Å; P166-Y226 HydrophobicContact CG-CE1 3.28Å; P166-Y226 HydrophobicContact CG-CE2 3.98Å; P166-Y226 HydrophobicContact CG-CG 3.95Å; M198-Y226 HydrophobicContact CE-CE1 4.46Å; F222-Y226 HydrophobicContact CD1-CD2 4.25Å; F222-Y226 AromaticContact CD2-CD2 3.69Å; F222-Y226 HydrophobicContact CD2-CD2 3.69Å; F222-Y226 AromaticContact CD2-CE2 3.55Å; F222-Y226 HydrophobicContact CD2-CE2 3.55Å; F222-Y226 HydrophobicContact CE1-CD2 4.11Å; F222-Y226 AromaticContact CE2-CD2 3.55Å; F222-Y226 HydrophobicContact CE2-CD2 3.55Å; F222-Y226 AromaticContact CE2-CE2 3.33Å; F222-Y226 HydrophobicContact CE2-CE2 3.33Å; F222-Y226 HydrophobicContact CG-CD2 4.06Å; F222-Y226 HydrophobicContact CG-CE2 4.35Å; F222-Y226 AromaticContact CZ-CD2 3.77Å; F222-Y226 HydrophobicContact CZ-CD2 3.77Å; F222-Y226 AromaticContact CZ-CE2 3.97Å; F222-Y226 HydrophobicContact CZ-CE2 3.97Å; F222-Y226 VanDerWaalsContact O-CD2 3.31Å; F222-Y226 WeakPolarHBondContact O-CD2 3.5Å; F222-Y226 PolarHBondContact O-N 2.85Å; F222-Y226 VanDerWaalsContact O-N 3.1Å; I223-Y226 PolarHBondContact O-N 3.04Å
227L98.6Very high98Very high0 Ų075.1 Ų75.10%035%0.345CS..SBendtrans-124.560.3172.2-59174.1000110.6A25 V27 H51 V52 R115 I117 A140 I223A25-L227 HydrophobicContact CB-CB 4.08Å; A25-L227 HydrophobicContact CB-CD1 4.01Å; A25-L227 HydrophobicContact CB-CD2 3.9Å; A25-L227 HydrophobicContact CB-CG 4.22Å; V27-L227 HydrophobicContact CG2-CD1 4.2Å; H51-L227 PolarHBondContact NE2-O 3.35Å; V52-L227 HydrophobicContact CG1-CD1 4.33Å; V52-L227 HydrophobicContact CG2-CB 4.34Å; V52-L227 HydrophobicContact CG2-CD1 4.41Å; R115-L227 VanDerWaalsContact C-CD2 3.43Å; R115-L227 HydrophobicContact CB-CD2 4.37Å; R115-L227 WeakPolarHBondContact O-CD2 3.41Å; I117-L227 HydrophobicContact CB-CD1 4.31Å; I117-L227 HydrophobicContact CD1-CD1 3.65Å; I117-L227 HydrophobicContact CD1-CG 3.84Å; I117-L227 HydrophobicContact CG1-CD1 3.8Å; I117-L227 HydrophobicContact CG1-CG 4.09Å; A140-L227 HydrophobicContact CB-CD2 3.65Å; A140-L227 HydrophobicContact CB-CG 4.49Å; I223-L227 HydrophobicContact CG2-CD1 4.07Å; I223-L227 WeakPolarHBondContact O-CA 3.4Å; I223-L227 VanDerWaalsContact O-CB 3.3Å; I223-L227 WeakPolarHBondContact O-CB 3.22Å; I223-L227 PolarHBondContact O-N 3.25Å
228P97.9Very high98Very high65 Ų6573.6 Ų73.642%0.42233%0.334SS..  trans-62.6159.4179.228.3-36.2000111.3R115R115-P228 VanDerWaalsContact CZ-O 3.28Å; R115-P228 PolarHBondContact NH1-O 2.95Å; R115-P228 PolarHBondContact NH2-O 3.15Å
229R96.2Very high97.9Very high175 Ų17579.3 Ų79.366%0.6636%0.358SS*.  trans-64.6138.5174-167.7176.8-174.9-171.7-0.4110
230I93.1Very high97.8Very high164 Ų16486.4 Ų86.484%0.84139%0.39SS*.  trans-126.9017663.9174000110.7T24T24-I230 HydrophobicContact CG2-CD1 4.43Å; T24-I230 HydrophobicContact CG2-CG1 4.1Å

Retrieved 230 of 230 residues in 516.9 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).