Z4YNF4_RAT Loading...

Low molecular weight phosphotyrosine protein phosphatase

Acts on tyrosine phosphorylated proteins, low-MW aryl phosphates and natural and synthetic acyl phosphates with differences in substrate specificity between isoform 1 and isoform 2.

AlphaFold DB , UniProt , Accession Z4YNF4, Species RAT (Rattus norvegicus, Rat), Gene Acp1, Length 159 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low75Confident243 Ų24373.8 Ų73.8100%1.19744%0.437SS*.  0119.10-61.9177.592.400105.4E3M1-E3 PolarHBondContact O-N 3.1Å
2A39.7Very low77Confident93 Ų9367.7 Ų67.777%0.76940%0.401SS*.  trans-61.5133.6-179.200000108.6V4A2-V4 VanDerWaalsContact C-N 3.32Å; A2-V4 PolarHBondContact O-N 3.17Å
3E44.6Very low78.7Confident194 Ų19462.7 Ų62.791%0.90737%0.372SS*.  trans-58.6101166.4-78.1-172.2155.200107.4M1 G5M1-E3 PolarHBondContact O-N 3.1Å; E3-G5 PolarHBondContact O-N 3.42Å; E3-G5 VanDerWaalsContact O-N 3.1Å
4V56.3Low80.1Confident93 Ų9362.9 Ų62.956%0.56437%0.369SS*.  trans-72.4103.4167.9-178.90000104.5A2A2-V4 VanDerWaalsContact C-N 3.32Å; A2-V4 PolarHBondContact O-N 3.17Å
5G64.9Low81.3Confident57 Ų5759.5 Ų59.559%0.58835%0.354SS*.PPolyproline II helixtrans-51.6144.9173.700000110.6E3 K7E3-G5 PolarHBondContact O-N 3.42Å; E3-G5 VanDerWaalsContact O-N 3.1Å; G5-K7 PolarHBondContact O-N 2.87Å
6S87.3Confident82.4Confident74 Ų7455.8 Ų55.852%0.51733%0.332SS..PPolyproline II helixtrans-53.6121179.7-171.70000110.4N39S6-N39 CarbonylContact C-O 3.58Å; S6-N39 WeakPolarHBondContact CA-O 3.46Å
7K95.8Very high83.4Confident51 Ų5153.4 Ų53.422%0.22232%0.317CS..EExtended strand (participates in β ladder)trans-80156176-66.6179.5-175.9171.30109.7G5 N39 W40 R41 D87 L157G5-K7 PolarHBondContact O-N 2.87Å; K7-N39 PolarHBondContact N-O 2.98Å; K7-W40 HydrophobicContact CB-CD2 3.89Å; K7-W40 HydrophobicContact CB-CE3 3.64Å; K7-W40 HydrophobicContact CB-CH2 3.83Å; K7-W40 HydrophobicContact CB-CZ2 4.05Å; K7-W40 HydrophobicContact CB-CZ3 3.62Å; K7-W40 HydrophobicContact CD-CH2 3.96Å; K7-W40 HydrophobicContact CD-CZ2 3.72Å; K7-W40 CarbonylContact O-C 3.25Å; K7-W40 VanDerWaalsContact O-CA 3.3Å; K7-W40 WeakPolarHBondContact O-CA 3.31Å; K7-R41 PolarHBondContact O-N 3.26Å; K7-D87 WeakPolarHBondContact CA-OD2 3.31Å; K7-L157 PolarHBondContact NZ-O 3.01Å
8S98.1Very high84.2Confident7 Ų750.7 Ų50.75%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-140.9133-176.457.30000113R41 T85 F86 D87 Y88S8-R41 VanDerWaalsContact CA-O 3.26Å; S8-R41 WeakPolarHBondContact CA-O 3.43Å; S8-T85 PolarHBondContact OG-O 2.81Å; S8-F86 VanDerWaalsContact OG-CA 3.32Å; S8-F86 WeakPolarHBondContact OG-CA 3.25Å; S8-D87 PolarHBondContact N-OD2 3.28Å; S8-D87 WeakPolarHBondContact O-CB 3.24Å; S8-D87 PolarHBondContact O-N 2.87Å; S8-D87 VanDerWaalsContact OG-CG 3.3Å; S8-D87 PolarHBondContact OG-N 3.42Å; S8-D87 PolarHBondContact OG-OD2 3.01Å; S8-Y88 PolarHBondContact O-N 2.85Å
9V98.8Very high85Confident0 Ų048.2 Ų48.20%029%0.285CS..EExtended strand (participates in β ladder)trans-132.5134176.760.60000111.3F11 F27 W40 R41 I42 D43 F86 Y88 L90 F153V9-F11 HydrophobicContact CG1-CE2 3.88Å; V9-F11 HydrophobicContact CG1-CZ 4.16Å; V9-F11 HydrophobicContact CG2-CD2 4.49Å; V9-F11 HydrophobicContact CG2-CE1 4.2Å; V9-F11 HydrophobicContact CG2-CE2 4.03Å; V9-F11 HydrophobicContact CG2-CZ 3.88Å; V9-F27 HydrophobicContact CG1-CD1 3.7Å; V9-F27 HydrophobicContact CG1-CE1 3.52Å; V9-F27 HydrophobicContact CG1-CZ 4.27Å; V9-W40 HydrophobicContact CB-CZ3 4.07Å; V9-W40 HydrophobicContact CG1-CE3 4.05Å; V9-W40 HydrophobicContact CG1-CZ3 3.9Å; V9-R41 PolarHBondContact N-O 3.22Å; V9-I42 HydrophobicContact CG1-CG1 4.26Å; V9-I42 HydrophobicContact CG1-CG2 4.45Å; V9-D43 PolarHBondContact O-N 3.17Å; V9-F86 VanDerWaalsContact C-CD1 3.42Å; V9-F86 VanDerWaalsContact O-CE1 3.31Å; V9-F86 WeakPolarHBondContact O-CE1 3.42Å; V9-Y88 WeakPolarHBondContact CA-O 3.41Å; V9-L90 HydrophobicContact CG2-CD1 3.81Å; V9-L90 HydrophobicContact CG2-CG 3.95Å; V9-F153 HydrophobicContact CB-CE1 4.25Å; V9-F153 HydrophobicContact CB-CZ 4.48Å; V9-F153 HydrophobicContact CG1-CE1 4.48Å; V9-F153 HydrophobicContact CG2-CE1 4.13Å; V9-F153 HydrophobicContact CG2-CZ 4.34Å
10L98.9Very high85.7Confident0 Ų045.8 Ų45.80%027%0.271CS..EExtended strand (participates in β ladder)trans-115.6119.4173.4-179.167.9000109.7V12 D43 A45 I78 D82 F86 Y88 I89 L90L10-V12 HydrophobicContact CD2-CG2 4.09Å; L10-V12 HydrophobicContact CG-CG2 3.95Å; L10-D43 WeakPolarHBondContact CA-O 3.47Å; L10-D43 HydrophobicContact CD1-CB 3.84Å; L10-A45 HydrophobicContact CD1-CB 3.95Å; L10-A45 HydrophobicContact CD2-CB 4.22Å; L10-A45 HydrophobicContact CG-CB 4.38Å; L10-I78 HydrophobicContact CD2-CD1 3.85Å; L10-I78 HydrophobicContact CD2-CG1 3.96Å; L10-D82 HydrophobicContact CD2-CB 3.78Å; L10-F86 HydrophobicContact CB-CB 4.39Å; L10-F86 HydrophobicContact CB-CD1 3.77Å; L10-F86 HydrophobicContact CB-CD2 3.89Å; L10-F86 HydrophobicContact CB-CE1 3.93Å; L10-F86 HydrophobicContact CB-CE2 4.04Å; L10-F86 HydrophobicContact CB-CG 3.75Å; L10-F86 HydrophobicContact CB-CZ 4.06Å; L10-F86 HydrophobicContact CD1-CE2 4.14Å; L10-F86 HydrophobicContact CD1-CZ 4.1Å; L10-F86 HydrophobicContact CD2-CD2 4.14Å; L10-F86 HydrophobicContact CD2-CE2 4.22Å; L10-F86 HydrophobicContact CG-CD2 4.48Å; L10-F86 HydrophobicContact CG-CE2 4.37Å; L10-Y88 PolarHBondContact N-O 3.41Å; L10-I89 HydrophobicContact CB-CG1 4.19Å; L10-I89 HydrophobicContact CD2-CG1 4.28Å; L10-I89 CarbonylContact O-C 3.58Å; L10-I89 WeakPolarHBondContact O-CA 3.39Å; L10-L90 PolarHBondContact O-N 3.39Å
11F98.9Very high86.3Confident0 Ų043.7 Ų43.70%026%0.259CS..EExtended strand (participates in β ladder)trans-88.1133.8174.8-62.1-81.9000110.8V9 S20 A23 E24 F27 I42 D43 S44 A45 L90 M92 L117V9-F11 HydrophobicContact CG1-CE2 3.88Å; V9-F11 HydrophobicContact CG1-CZ 4.16Å; V9-F11 HydrophobicContact CG2-CD2 4.49Å; V9-F11 HydrophobicContact CG2-CE1 4.2Å; V9-F11 HydrophobicContact CG2-CE2 4.03Å; V9-F11 HydrophobicContact CG2-CZ 3.88Å; F11-S20 WeakPolarHBondContact O-CB 3.31Å; F11-A23 HydrophobicContact CB-CB 4.11Å; F11-A23 HydrophobicContact CD1-CB 3.55Å; F11-A23 HydrophobicContact CD2-CB 4.45Å; F11-A23 HydrophobicContact CE1-CB 4.03Å; F11-A23 HydrophobicContact CG-CB 3.78Å; F11-E24 HydrophobicContact CD2-CB 4.1Å; F11-E24 HydrophobicContact CD2-CG 4.48Å; F11-F27 HydrophobicContact CE2-CB 3.69Å; F11-F27 HydrophobicContact CE2-CD1 4.15Å; F11-F27 HydrophobicContact CE2-CG 4.02Å; F11-F27 HydrophobicContact CZ-CB 3.58Å; F11-F27 HydrophobicContact CZ-CD1 4.2Å; F11-F27 HydrophobicContact CZ-CD2 4.22Å; F11-F27 AromaticContact CZ-CG 3.74Å; F11-F27 HydrophobicContact CZ-CG 3.74Å; F11-I42 HydrophobicContact CE2-CG2 4.15Å; F11-D43 PolarHBondContact N-O 3.07Å; F11-S44 CarbonylContact O-C 3.54Å; F11-S44 WeakPolarHBondContact O-CA 3.38Å; F11-S44 WeakPolarHBondContact O-CB 3.35Å; F11-A45 PolarHBondContact O-N 2.89Å; F11-L90 CarbonylContact C-O 3.5Å; F11-L90 WeakPolarHBondContact CA-O 3.44Å; F11-L90 HydrophobicContact CD1-CB 4.09Å; F11-L90 HydrophobicContact CE1-CB 4.29Å; F11-L90 HydrophobicContact CE1-CD1 4.02Å; F11-M92 HydrophobicContact CB-CE 4.2Å; F11-L117 HydrophobicContact CD1-CD2 4.26Å; F11-L117 HydrophobicContact CE1-CD1 4.18Å; F11-L117 HydrophobicContact CE1-CD2 4.26Å
12V98.9Very high89Confident0 Ų032.1 Ų32.10%020%0.202CC..EExtended strand (participates in β ladder)trans-131130-173.6-178.20000112.6L10 A45 T47 I78 I89 L90 C91 M92 L100L10-V12 HydrophobicContact CD2-CG2 4.09Å; L10-V12 HydrophobicContact CG-CG2 3.95Å; V12-A45 WeakPolarHBondContact CA-O 3.44Å; V12-T47 HydrophobicContact CG1-CG2 3.61Å; V12-I78 HydrophobicContact CG2-CD1 4.21Å; V12-I89 HydrophobicContact CB-CG2 4.36Å; V12-I89 HydrophobicContact CG2-CG2 3.64Å; V12-L90 PolarHBondContact N-O 3.43Å; V12-C91 HydrophobicContact CB-CB 4.29Å; V12-C91 VanDerWaalsContact O-CA 3.24Å; V12-C91 WeakPolarHBondContact O-CA 3.47Å; V12-M92 PolarHBondContact O-N 3.1Å; V12-L100 HydrophobicContact CB-CD1 4.09Å; V12-L100 HydrophobicContact CG1-CD1 4.04Å; V12-L100 HydrophobicContact CG1-CD2 4.16Å; V12-L100 HydrophobicContact CG1-CG 4.39Å; V12-L100 HydrophobicContact CG2-CD1 4.5Å; V12-L100 HydrophobicContact CG2-CD2 4.48Å
13C98.8Very high91.8Very high3 Ų327.7 Ų27.72%0.0217%0.165CC..EExtended strand (participates in β ladder)trans-131.8-174.2163.976.90000110.6N16 R19 S20 A45 A46 T47 M92 N96C13-N16 PolarHBondContact SG-N 3Å; C13-R19 HydrophobicContact CB-CB 4.06Å; C13-S20 PolarHBondContact N-OG 2.82Å; C13-S20 PolarHBondContact SG-OG 2.76Å; C13-A45 PolarHBondContact N-O 3.44Å; C13-A46 WeakPolarHBondContact O-CA 3.4Å; C13-T47 PolarHBondContact O-N 2.93Å; C13-M92 HydrophobicContact CB-CB 4.5Å; C13-M92 HydrophobicContact CB-CG 3.71Å; C13-N96 WeakPolarHBondContact CA-OD1 3.41Å
14L98.7Very high94.4Very high65 Ų6519 Ų1934%0.3413%0.125SC..SBendtrans-60.4-53.6-177.317861.4000112.9A46 T47 S48L14-A46 WeakPolarHBondContact O-CB 3.37Å; L14-T47 PolarHBondContact O-N 3.34Å; L14-S48 WeakPolarHBondContact O-CB 3.26Å; L14-S48 PolarHBondContact O-N 3.12Å; L14-S48 VanDerWaalsContact O-N 3.16Å; L14-S48 PolarHBondContact O-OG 3.44Å
15G98.4Very high96.4Very high13 Ų1315 Ų1513%0.13410%0.102CC..SBendtrans-108.8-9.8-171.300000115.7I17 E51G15-I17 PolarHBondContact O-N 2.67Å; G15-E51 WeakPolarHBondContact O-CB 3.38Å
16N98.8Very high98.1Very high0 Ų012.3 Ų12.30%07%0.074CC..SBendtrans55.830.5-177.1-168.5-147.2000115.7C13 S20 P21 S44 A45 A46 H73 A75 R76C13-N16 PolarHBondContact SG-N 3Å; N16-S20 PolarHBondContact ND2-OG 3.15Å; N16-P21 WeakPolarHBondContact O-CG 3.3Å; N16-S44 VanDerWaalsContact ND2-CB 3.35Å; N16-S44 WeakPolarHBondContact ND2-CB 3.42Å; N16-S44 PolarHBondContact ND2-OG 2.78Å; N16-S44 PolarHBondContact OD1-O 3.06Å; N16-A45 VanDerWaalsContact CB-C 3.45Å; N16-A45 VanDerWaalsContact CG-C 3.47Å; N16-A45 PolarHBondContact ND2-N 3.05Å; N16-A45 WeakPolarHBondContact OD1-CA 3.45Å; N16-A46 HydrophobicContact CB-CB 3.61Å; N16-H73 PolarHBondContact ND2-NE2 3.45Å; N16-H73 PolarHBondContact OD1-NE2 3.23Å; N16-A75 HydrophobicContact CB-CB 4.19Å; N16-A75 VanDerWaalsContact OD1-CA 3.31Å; N16-A75 WeakPolarHBondContact OD1-CA 3.41Å; N16-R76 PolarHBondContact OD1-N 2.73Å; N16-R76 PolarHBondContact OD1-O 2.93Å
17I98.6Very high98.6Very high15 Ų158.8 Ų8.88%0.0775%0.049CC..SBendtrans-118.5-26.8173.657.9163.2000113.7G15 E51 N54 P56 D57 A75 Y132G15-I17 PolarHBondContact O-N 2.67Å; I17-E51 HydrophobicContact CD1-CG 3.79Å; I17-E51 HydrophobicContact CG1-CG 4.07Å; I17-E51 HydrophobicContact CG2-CB 3.62Å; I17-E51 HydrophobicContact CG2-CG 3.99Å; I17-N54 HydrophobicContact CG2-CB 4.43Å; I17-P56 CarbonylContact O-C 3.52Å; I17-P56 VanDerWaalsContact O-CA 3.32Å; I17-P56 WeakPolarHBondContact O-CA 3.43Å; I17-D57 PolarHBondContact O-N 3.18Å; I17-A75 HydrophobicContact CG2-CB 3.96Å; I17-Y132 HydrophobicContact CD1-CE2 4.29Å
18C98.4Very high98.7Very high5 Ų511.5 Ų11.53%0.0346%0.058CC..SBendtrans-102.4-80.9-179-60.50000111.9I22 P131 F139C18-I22 VanDerWaalsContact O-CD1 3.3Å; C18-I22 WeakPolarHBondContact O-CD1 3.45Å; C18-I22 VanDerWaalsContact O-CG1 3.26Å; C18-I22 WeakPolarHBondContact O-CG1 2.99Å; C18-P131 HydrophobicContact CB-CG 3.96Å; C18-F139 HydrophobicContact CB-CE1 4.11Å
19R98.9Very high98.7Very high2 Ų214.8 Ų14.81%0.0087%0.071CC..Hα-helixtrans-76.5-48.4-165-64.1170.8-83167.11114C13 I22 A23 M92 D93 I128 E129 D130 P131 V142C13-R19 HydrophobicContact CB-CB 4.06Å; R19-I22 WeakPolarHBondContact O-CB 3.5Å; R19-I22 PolarHBondContact O-N 3.03Å; R19-A23 PolarHBondContact O-N 2.62Å; R19-M92 HydrophobicContact CB-CE 4.48Å; R19-M92 HydrophobicContact CB-CG 3.69Å; R19-M92 HydrophobicContact CB-SD 4.15Å; R19-M92 HydrophobicContact CG-CG 4.49Å; R19-D93 IonicContact CZ-OD2 3.67Å; R19-D93 IonicContact NH1-OD2 3.88Å; R19-D93 PolarHBondContact NH1-OD2 2.98Å; R19-D93 IonicContact NH2-OD2 3.63Å; R19-D93 PolarHBondContact NH2-OD2 2.8Å; R19-I128 WeakPolarHBondContact CD-O 3.45Å; R19-I128 HydrophobicContact CG-CG2 4.38Å; R19-I128 PolarHBondContact NH1-O 2.82Å; R19-E129 WeakPolarHBondContact CD-O 3.46Å; R19-D130 IonicContact CZ-OD2 2.79Å; R19-D130 IonicContact NE-OD1 3.4Å; R19-D130 IonicContact NE-OD2 3.65Å; R19-D130 IonicContact NH2-OD2 3.36Å; R19-D130 PolarHBondContact NH2-OD2 3.48Å; R19-P131 HydrophobicContact CG-CG 4.34Å; R19-V142 HydrophobicContact CB-CG1 4.38Å; R19-V142 HydrophobicContact CG-CG1 4.04Å; R19-V142 HydrophobicContact CG-CG2 4.36Å
20S98.9Very high98.7Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-69.6-35.6-17658.60000115.2F11 C13 N16 I22 A23 E24 A45F11-S20 WeakPolarHBondContact O-CB 3.31Å; C13-S20 PolarHBondContact N-OG 2.82Å; C13-S20 PolarHBondContact SG-OG 2.76Å; N16-S20 PolarHBondContact ND2-OG 3.15Å; S20-I22 VanDerWaalsContact C-N 3.33Å; S20-I22 PolarHBondContact O-N 2.66Å; S20-A23 PolarHBondContact O-N 2.87Å; S20-E24 WeakPolarHBondContact O-CB 3.32Å; S20-E24 PolarHBondContact O-N 2.86Å; S20-A45 PolarHBondContact OG-O 3.27Å
21P98.8Very high98.6Very high2 Ų216 Ų161%0.0138%0.078CC..Hα-helixtrans-64.8-34.7170.8-23.435.6000113.3N16 E24 A25 P56 M71 H73N16-P21 WeakPolarHBondContact O-CG 3.3Å; P21-E24 PolarHBondContact O-N 2.92Å; P21-A25 WeakPolarHBondContact O-CB 3.32Å; P21-A25 PolarHBondContact O-N 3.47Å; P21-P56 HydrophobicContact CB-CB 4.23Å; P21-P56 HydrophobicContact CB-CG 3.95Å; P21-P56 HydrophobicContact CG-CG 4.36Å; P21-M71 HydrophobicContact CB-SD 4.04Å; P21-H73 HydrophobicContact CB-CB 4.48Å
22I98.9Very high98.5Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-62-52.1173.6-71.4169.9000109.7C18 R19 S20 E24 A25 V26 M64 M71 F139 V142 C146C18-I22 VanDerWaalsContact O-CD1 3.3Å; C18-I22 WeakPolarHBondContact O-CD1 3.45Å; C18-I22 VanDerWaalsContact O-CG1 3.26Å; C18-I22 WeakPolarHBondContact O-CG1 2.99Å; R19-I22 WeakPolarHBondContact O-CB 3.5Å; R19-I22 PolarHBondContact O-N 3.03Å; S20-I22 VanDerWaalsContact C-N 3.33Å; S20-I22 PolarHBondContact O-N 2.66Å; I22-E24 VanDerWaalsContact C-N 3.3Å; I22-E24 PolarHBondContact O-N 2.76Å; I22-A25 PolarHBondContact O-N 3.23Å; I22-V26 HydrophobicContact CG2-CG2 4.32Å; I22-V26 WeakPolarHBondContact O-CB 3.48Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 2.79Å; I22-M64 HydrophobicContact CB-SD 4.42Å; I22-M64 HydrophobicContact CG1-CG 4.09Å; I22-M64 HydrophobicContact CG1-SD 4.24Å; I22-M64 HydrophobicContact CG2-CE 4.43Å; I22-M64 HydrophobicContact CG2-SD 3.85Å; I22-M71 HydrophobicContact CB-SD 4.48Å; I22-M71 HydrophobicContact CG1-CE 4.33Å; I22-M71 HydrophobicContact CG1-SD 3.82Å; I22-F139 HydrophobicContact CD1-CD1 4.1Å; I22-V142 HydrophobicContact CD1-CG1 4.09Å; I22-V142 HydrophobicContact CG2-CG1 4.37Å; I22-C146 HydrophobicContact CG2-CB 4.19Å
23A98.9Very high98.3Very high0 Ų023.7 Ų23.70%012%0.122CC..Hα-helixtrans-58.4-42.2178.900000112.3F11 R19 S20 V26 F27 M92 L117 C146F11-A23 HydrophobicContact CB-CB 4.11Å; F11-A23 HydrophobicContact CD1-CB 3.55Å; F11-A23 HydrophobicContact CD2-CB 4.45Å; F11-A23 HydrophobicContact CE1-CB 4.03Å; F11-A23 HydrophobicContact CG-CB 3.78Å; R19-A23 PolarHBondContact O-N 2.62Å; S20-A23 PolarHBondContact O-N 2.87Å; A23-V26 PolarHBondContact O-N 3.27Å; A23-F27 WeakPolarHBondContact O-CB 3.22Å; A23-F27 PolarHBondContact O-N 3.06Å; A23-M92 HydrophobicContact CB-CE 3.91Å; A23-L117 HydrophobicContact CB-CD2 3.95Å; A23-C146 HydrophobicContact CB-CB 4.42Å
24E98.9Very high98.2Very high12 Ų1227.6 Ų27.66%0.05614%0.14CC..Hα-helixtrans-59.8-51.5177.1-167.4-158.814200112.3F11 S20 P21 I22 V26 F27 R28 I42 S44 H73F11-E24 HydrophobicContact CD2-CB 4.1Å; F11-E24 HydrophobicContact CD2-CG 4.48Å; S20-E24 WeakPolarHBondContact O-CB 3.32Å; S20-E24 PolarHBondContact O-N 2.86Å; P21-E24 PolarHBondContact O-N 2.92Å; I22-E24 VanDerWaalsContact C-N 3.3Å; I22-E24 PolarHBondContact O-N 2.76Å; E24-V26 PolarHBondContact O-N 3.24Å; E24-F27 PolarHBondContact O-N 3.06Å; E24-R28 VanDerWaalsContact O-CB 3.3Å; E24-R28 WeakPolarHBondContact O-CB 3.13Å; E24-R28 PolarHBondContact O-N 3.34Å; E24-R28 IonicContact OE1-CZ 3.2Å; E24-R28 IonicContact OE1-NE 3.75Å; E24-R28 IonicContact OE1-NH2 2.67Å; E24-R28 PolarHBondContact OE1-NH2 3.02Å; E24-I42 HydrophobicContact CG-CG2 3.7Å; E24-S44 VanDerWaalsContact OE2-CB 3.25Å; E24-S44 WeakPolarHBondContact OE2-CB 3.29Å; E24-S44 PolarHBondContact OE2-N 2.98Å; E24-S44 PolarHBondContact OE2-OG 2.92Å; E24-H73 IonicContact OE2-CE1 3.67Å; E24-H73 IonicContact OE2-CG 2.92Å; E24-H73 IonicContact OE2-ND1 2.93Å; E24-H73 PolarHBondContact OE2-ND1 3.47Å
25A98.8Very high98.1Very high9 Ų931.5 Ų31.57%0.07416%0.161CC..Hα-helixtrans-68-36.7-177.800000112P21 I22 K29 M64 I69 M71P21-A25 WeakPolarHBondContact O-CB 3.32Å; P21-A25 PolarHBondContact O-N 3.47Å; I22-A25 PolarHBondContact O-N 3.23Å; A25-K29 WeakPolarHBondContact O-CB 3.35Å; A25-K29 PolarHBondContact O-N 3.11Å; A25-M64 HydrophobicContact CB-CE 3.78Å; A25-I69 HydrophobicContact CB-CG2 3.88Å; A25-M71 HydrophobicContact CB-CG 3.67Å
26V98.8Very high97.9Very high1 Ų132.5 Ų32.51%0.00616%0.164CC..Hα-helixtrans-60.2-51171.3167.20000110.7I22 A23 E24 R28 K29 L30 M64 I69 Y143 C146 L147 C150I22-V26 HydrophobicContact CG2-CG2 4.32Å; I22-V26 WeakPolarHBondContact O-CB 3.48Å; I22-V26 VanDerWaalsContact O-CG2 3.27Å; I22-V26 WeakPolarHBondContact O-CG2 3.32Å; I22-V26 PolarHBondContact O-N 2.79Å; A23-V26 PolarHBondContact O-N 3.27Å; E24-V26 PolarHBondContact O-N 3.24Å; V26-R28 PolarHBondContact O-N 2.8Å; V26-K29 WeakPolarHBondContact O-CB 3.5Å; V26-K29 PolarHBondContact O-N 2.89Å; V26-L30 HydrophobicContact CG1-CD1 4.15Å; V26-L30 WeakPolarHBondContact O-CG 3.48Å; V26-L30 PolarHBondContact O-N 2.89Å; V26-M64 HydrophobicContact CG2-CE 3.68Å; V26-M64 HydrophobicContact CG2-SD 4.33Å; V26-I69 HydrophobicContact CG2-CD1 4.27Å; V26-Y143 HydrophobicContact CG2-CD2 3.82Å; V26-Y143 HydrophobicContact CG2-CE2 3.85Å; V26-C146 HydrophobicContact CG2-CB 4.39Å; V26-L147 HydrophobicContact CG1-CB 4.33Å; V26-L147 HydrophobicContact CG1-CD1 4.2Å; V26-C150 HydrophobicContact CG1-CB 4.02Å
27F98.6Very high97.7Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-65.1-40.9-178.5-169.3-104.4000111.8V9 F11 A23 E24 K29 L30 V31 W40 I42 C150 F153 L154V9-F27 HydrophobicContact CG1-CD1 3.7Å; V9-F27 HydrophobicContact CG1-CE1 3.52Å; V9-F27 HydrophobicContact CG1-CZ 4.27Å; F11-F27 HydrophobicContact CE2-CB 3.69Å; F11-F27 HydrophobicContact CE2-CD1 4.15Å; F11-F27 HydrophobicContact CE2-CG 4.02Å; F11-F27 HydrophobicContact CZ-CB 3.58Å; F11-F27 HydrophobicContact CZ-CD1 4.2Å; F11-F27 HydrophobicContact CZ-CD2 4.22Å; F11-F27 AromaticContact CZ-CG 3.74Å; F11-F27 HydrophobicContact CZ-CG 3.74Å; A23-F27 WeakPolarHBondContact O-CB 3.22Å; A23-F27 PolarHBondContact O-N 3.06Å; E24-F27 PolarHBondContact O-N 3.06Å; F27-K29 VanDerWaalsContact C-N 3.33Å; F27-K29 PolarHBondContact O-N 3.37Å; F27-L30 PolarHBondContact O-N 3.43Å; F27-V31 HydrophobicContact CD1-CG1 4.23Å; F27-V31 HydrophobicContact CE1-CG1 3.76Å; F27-V31 HydrophobicContact CE2-CG1 4.41Å; F27-V31 HydrophobicContact CZ-CG1 3.86Å; F27-V31 PolarHBondContact O-N 2.83Å; F27-W40 AromaticContact CE1-CD2 3.84Å; F27-W40 HydrophobicContact CE1-CD2 3.84Å; F27-W40 AromaticContact CE1-CE3 3.75Å; F27-W40 HydrophobicContact CE1-CE3 3.75Å; F27-W40 HydrophobicContact CE1-CG 4.35Å; F27-W40 HydrophobicContact CE1-CH2 4.34Å; F27-W40 HydrophobicContact CE1-CZ2 4.45Å; F27-W40 HydrophobicContact CE1-CZ3 4.01Å; F27-W40 HydrophobicContact CZ-CD2 4.04Å; F27-W40 AromaticContact CZ-CE2 3.91Å; F27-W40 HydrophobicContact CZ-CE3 4.06Å; F27-W40 AromaticContact CZ-CH2 3.83Å; F27-W40 HydrophobicContact CZ-CH2 3.83Å; F27-W40 AromaticContact CZ-CZ2 3.82Å; F27-W40 HydrophobicContact CZ-CZ2 3.82Å; F27-W40 AromaticContact CZ-CZ3 3.96Å; F27-W40 HydrophobicContact CZ-CZ3 3.96Å; F27-I42 HydrophobicContact CD1-CD1 3.52Å; F27-I42 HydrophobicContact CD1-CG1 3.79Å; F27-I42 HydrophobicContact CD1-CG2 4.11Å; F27-I42 HydrophobicContact CE1-CD1 3.84Å; F27-I42 HydrophobicContact CE1-CG1 3.98Å; F27-C150 HydrophobicContact CB-CB 4.38Å; F27-C150 HydrophobicContact CD2-CB 3.92Å; F27-F153 HydrophobicContact CD2-CD1 4.27Å; F27-F153 AromaticContact CE2-CD1 3.53Å; F27-F153 HydrophobicContact CE2-CD1 3.53Å; F27-F153 AromaticContact CE2-CE1 3.91Å; F27-F153 HydrophobicContact CE2-CE1 3.91Å; F27-F153 AromaticContact CZ-CD1 3.96Å; F27-F153 HydrophobicContact CZ-CD1 3.96Å; F27-F153 AromaticContact CZ-CE1 3.84Å; F27-F153 HydrophobicContact CZ-CE1 3.84Å; F27-L154 HydrophobicContact CE2-CB 4.01Å; F27-L154 HydrophobicContact CE2-CD1 4.35Å; F27-L154 HydrophobicContact CZ-CD1 4.19Å
28R98.4Very high97.5Very high108 Ų10840.9 Ų40.941%0.40821%0.213SC..Hα-helixtrans-58.9-43.2174.5-168.2-179.7-60.6-82.70111.8E24 V26 V31 T32 I42E24-R28 VanDerWaalsContact O-CB 3.3Å; E24-R28 WeakPolarHBondContact O-CB 3.13Å; E24-R28 PolarHBondContact O-N 3.34Å; E24-R28 IonicContact OE1-CZ 3.2Å; E24-R28 IonicContact OE1-NE 3.75Å; E24-R28 IonicContact OE1-NH2 2.67Å; E24-R28 PolarHBondContact OE1-NH2 3.02Å; V26-R28 PolarHBondContact O-N 2.8Å; R28-V31 VanDerWaalsContact O-CG2 3.3Å; R28-V31 WeakPolarHBondContact O-CG2 3.48Å; R28-T32 WeakPolarHBondContact O-CB 3.3Å; R28-T32 PolarHBondContact O-N 2.9Å; R28-T32 VanDerWaalsContact O-N 3.11Å; R28-T32 PolarHBondContact O-OG1 2.79Å; R28-I42 HydrophobicContact CB-CD1 4.32Å; R28-I42 PolarHBondContact NH2-O 2.67Å
29K98.1Very high97.3Very high76 Ų7644.1 Ų44.133%0.3323%0.23SC..Hα-helixtrans-59.4-49.2174.4-17976.7173.170.10111A25 V26 F27 T32 D33 I69A25-K29 WeakPolarHBondContact O-CB 3.35Å; A25-K29 PolarHBondContact O-N 3.11Å; V26-K29 WeakPolarHBondContact O-CB 3.5Å; V26-K29 PolarHBondContact O-N 2.89Å; F27-K29 VanDerWaalsContact C-N 3.33Å; F27-K29 PolarHBondContact O-N 3.37Å; K29-T32 WeakPolarHBondContact O-CB 3.36Å; K29-T32 PolarHBondContact O-N 3.19Å; K29-D33 IonicContact NZ-OD1 3.73Å; K29-D33 PolarHBondContact NZ-OD1 3.03Å; K29-D33 IonicContact NZ-OD2 3.41Å; K29-D33 PolarHBondContact NZ-OD2 3.32Å; K29-D33 VanDerWaalsContact O-CG 3.25Å; K29-D33 PolarHBondContact O-N 2.92Å; K29-I69 HydrophobicContact CB-CD1 4.34Å; K29-I69 HydrophobicContact CB-CG1 4.49Å; K29-I69 HydrophobicContact CD-CG1 4.26Å; K29-I69 HydrophobicContact CG-CD1 4.2Å; K29-I69 HydrophobicContact CG-CG1 4.16Å
30L97.8Very high97.2Very high24 Ų2445.1 Ų45.113%0.12623%0.233CC..Hα-helixtrans-59.5-50.1-178.9-69.6170.3000112.5V26 F27 T32 D33 E34 L147 C150 K151 L154V26-L30 HydrophobicContact CG1-CD1 4.15Å; V26-L30 WeakPolarHBondContact O-CG 3.48Å; V26-L30 PolarHBondContact O-N 2.89Å; F27-L30 PolarHBondContact O-N 3.43Å; L30-T32 PolarHBondContact O-N 3.29Å; L30-D33 PolarHBondContact O-N 3.29Å; L30-E34 PolarHBondContact O-N 3.04Å; L30-L147 HydrophobicContact CD1-CD1 4.49Å; L30-L147 HydrophobicContact CD2-CD1 4.19Å; L30-C150 HydrophobicContact CD1-CB 3.65Å; L30-K151 HydrophobicContact CD1-CB 4.27Å; L30-L154 HydrophobicContact CB-CD2 4.2Å
31V97.1Very high97.1Very high1 Ų150 Ų501%0.00625%0.252CS..Hα-helixtrans-66.7-28179.6-59.40000112.7F27 R28 N35 V36 S37 W40 I42 L154F27-V31 HydrophobicContact CD1-CG1 4.23Å; F27-V31 HydrophobicContact CE1-CG1 3.76Å; F27-V31 HydrophobicContact CE2-CG1 4.41Å; F27-V31 HydrophobicContact CZ-CG1 3.86Å; F27-V31 PolarHBondContact O-N 2.83Å; R28-V31 VanDerWaalsContact O-CG2 3.3Å; R28-V31 WeakPolarHBondContact O-CG2 3.48Å; V31-N35 PolarHBondContact O-N 3.31Å; V31-V36 HydrophobicContact CB-CG2 3.96Å; V31-V36 HydrophobicContact CG1-CG2 4.32Å; V31-V36 PolarHBondContact O-N 2.85Å; V31-S37 PolarHBondContact O-N 3.22Å; V31-W40 HydrophobicContact CG1-CG 4.14Å; V31-I42 HydrophobicContact CG1-CD1 4.44Å; V31-I42 HydrophobicContact CG2-CD1 3.56Å; V31-L154 HydrophobicContact CG1-CD1 4.02Å; V31-L154 HydrophobicContact CG1-CD2 4.05Å
32T96.6Very high97.1Very high70 Ų7050.7 Ų50.743%0.42926%0.255SS..Hα-helixtrans-71.5-46175.7-56.70000110.3R28 K29 L30 E34 N35R28-T32 WeakPolarHBondContact O-CB 3.3Å; R28-T32 PolarHBondContact O-N 2.9Å; R28-T32 VanDerWaalsContact O-N 3.11Å; R28-T32 PolarHBondContact O-OG1 2.79Å; K29-T32 WeakPolarHBondContact O-CB 3.36Å; K29-T32 PolarHBondContact O-N 3.19Å; L30-T32 PolarHBondContact O-N 3.29Å; T32-E34 PolarHBondContact O-N 3.06Å; T32-N35 PolarHBondContact O-N 3.41Å
33D96.3Very high97.1Very high92 Ų9252.3 Ų52.349%0.49226%0.264SS..Hα-helixtrans-62.6-31.7178.1-67.4-16.3000112.1K29 L30 N35K29-D33 IonicContact NZ-OD1 3.73Å; K29-D33 PolarHBondContact NZ-OD1 3.03Å; K29-D33 IonicContact NZ-OD2 3.41Å; K29-D33 PolarHBondContact NZ-OD2 3.32Å; K29-D33 VanDerWaalsContact O-CG 3.25Å; K29-D33 PolarHBondContact O-N 2.92Å; L30-D33 PolarHBondContact O-N 3.29Å; D33-N35 VanDerWaalsContact C-N 3.34Å
34E95.8Very high97.1Very high85 Ų8552.3 Ų52.340%0.39726%0.264SS..THydrogen-bonded Turntrans-85.80.9175.5-69.8-173.6-16100114.2L30 T32 V36 L154L30-E34 PolarHBondContact O-N 3.04Å; T32-E34 PolarHBondContact O-N 3.06Å; E34-V36 VanDerWaalsContact C-N 3.28Å; E34-V36 HydrophobicContact CB-CG2 4.02Å; E34-V36 PolarHBondContact O-N 3.31Å; E34-L154 WeakPolarHBondContact OE2-CD2 3.45Å
35N95.6Very high97.1Very high146 Ų14651.8 Ų51.878%0.78126%0.261SS*.THydrogen-bonded Turntrans56.935.9-177.2-55-76.2000114.1V31 T32 D33V31-N35 PolarHBondContact O-N 3.31Å; T32-N35 PolarHBondContact O-N 3.41Å; D33-N35 VanDerWaalsContact C-N 3.34Å
36V95.4Very high97.1Very high35 Ų3551.4 Ų51.421%0.21226%0.258CS..  trans-120.813.5178.4-62.80000113V31 E34 D38 N39V31-V36 HydrophobicContact CB-CG2 3.96Å; V31-V36 HydrophobicContact CG1-CG2 4.32Å; V31-V36 PolarHBondContact O-N 2.85Å; E34-V36 VanDerWaalsContact C-N 3.28Å; E34-V36 HydrophobicContact CB-CG2 4.02Å; E34-V36 PolarHBondContact O-N 3.31Å; V36-D38 PolarHBondContact O-N 3.32Å; V36-N39 WeakPolarHBondContact O-CB 3.43Å; V36-N39 PolarHBondContact O-N 3.23Å
37S94.1Very high97.1Very high43 Ų4351.6 Ų51.630%0.30126%0.26SS..G310 helixtrans-54.7-37.8-179.5530000113.4V31 N39 W40V31-S37 PolarHBondContact O-N 3.22Å; S37-N39 PolarHBondContact O-N 3.31Å; S37-N39 VanDerWaalsContact O-N 3.15Å; S37-W40 PolarHBondContact O-N 3.3Å
38D94.2Very high97.1Very high148 Ų14852.3 Ų52.379%0.79127%0.265SS*.G310 helixtrans-67.1-17.3-177.6-62.2-15.7000112.6V36 W40V36-D38 PolarHBondContact O-N 3.32Å; D38-W40 VanDerWaalsContact C-N 3.29Å
39N94.6Very high97.1Very high73 Ų7351.3 Ų51.339%0.3927%0.27SS..G310 helixtrans-87.72.3176.4-57.3-38.7000112.7S6 K7 V36 S37S6-N39 CarbonylContact C-O 3.58Å; S6-N39 WeakPolarHBondContact CA-O 3.46Å; K7-N39 PolarHBondContact N-O 2.98Å; V36-N39 WeakPolarHBondContact O-CB 3.43Å; V36-N39 PolarHBondContact O-N 3.23Å; S37-N39 PolarHBondContact O-N 3.31Å; S37-N39 VanDerWaalsContact O-N 3.15Å
40W96.9Very high97Very high23 Ų2356 Ų569%0.08729%0.287CS..EExtended strand (participates in β ladder)trans-132125.3-170.9-77.6100000113.9K7 V9 F27 V31 S37 D38 I42 F153 L154 L157K7-W40 HydrophobicContact CB-CD2 3.89Å; K7-W40 HydrophobicContact CB-CE3 3.64Å; K7-W40 HydrophobicContact CB-CH2 3.83Å; K7-W40 HydrophobicContact CB-CZ2 4.05Å; K7-W40 HydrophobicContact CB-CZ3 3.62Å; K7-W40 HydrophobicContact CD-CH2 3.96Å; K7-W40 HydrophobicContact CD-CZ2 3.72Å; K7-W40 CarbonylContact O-C 3.25Å; K7-W40 VanDerWaalsContact O-CA 3.3Å; K7-W40 WeakPolarHBondContact O-CA 3.31Å; V9-W40 HydrophobicContact CB-CZ3 4.07Å; V9-W40 HydrophobicContact CG1-CE3 4.05Å; V9-W40 HydrophobicContact CG1-CZ3 3.9Å; F27-W40 AromaticContact CE1-CD2 3.84Å; F27-W40 HydrophobicContact CE1-CD2 3.84Å; F27-W40 AromaticContact CE1-CE3 3.75Å; F27-W40 HydrophobicContact CE1-CE3 3.75Å; F27-W40 HydrophobicContact CE1-CG 4.35Å; F27-W40 HydrophobicContact CE1-CH2 4.34Å; F27-W40 HydrophobicContact CE1-CZ2 4.45Å; F27-W40 HydrophobicContact CE1-CZ3 4.01Å; F27-W40 HydrophobicContact CZ-CD2 4.04Å; F27-W40 AromaticContact CZ-CE2 3.91Å; F27-W40 HydrophobicContact CZ-CE3 4.06Å; F27-W40 AromaticContact CZ-CH2 3.83Å; F27-W40 HydrophobicContact CZ-CH2 3.83Å; F27-W40 AromaticContact CZ-CZ2 3.82Å; F27-W40 HydrophobicContact CZ-CZ2 3.82Å; F27-W40 AromaticContact CZ-CZ3 3.96Å; F27-W40 HydrophobicContact CZ-CZ3 3.96Å; V31-W40 HydrophobicContact CG1-CG 4.14Å; S37-W40 PolarHBondContact O-N 3.3Å; D38-W40 VanDerWaalsContact C-N 3.29Å; W40-I42 HydrophobicContact CB-CD1 3.95Å; W40-I42 HydrophobicContact CB-CG1 3.92Å; W40-F153 AromaticContact CH2-CE1 3.77Å; W40-F153 HydrophobicContact CH2-CE1 3.77Å; W40-F153 HydrophobicContact CH2-CZ 4.01Å; W40-F153 HydrophobicContact CZ3-CE1 4.15Å; W40-F153 HydrophobicContact CZ3-CZ 4.41Å; W40-L154 HydrophobicContact CZ2-CD1 4.05Å; W40-L157 HydrophobicContact CH2-CD1 3.54Å; W40-L157 HydrophobicContact CZ2-CD1 4.04Å
41R97.8Very high97Very high103 Ų10357.2 Ų57.239%0.38929%0.292SS..EExtended strand (participates in β ladder)trans-90.2119.1158.4178.7-176.4173.9-145.5-2.5109.2K7 S8 V9 T85 F86K7-R41 PolarHBondContact O-N 3.26Å; S8-R41 VanDerWaalsContact CA-O 3.26Å; S8-R41 WeakPolarHBondContact CA-O 3.43Å; V9-R41 PolarHBondContact N-O 3.22Å; R41-T85 PolarHBondContact NH1-OG1 3.38Å; R41-F86 HydrophobicContact CG-CE1 4.15Å; R41-F86 HydrophobicContact CG-CZ 4.45Å; R41-F86 VanDerWaalsContact CZ-CZ 3.43Å; R41-F86 VanDerWaalsContact NH2-CE2 3.31Å
42I98.4Very high97.1Very high15 Ų1560.9 Ų60.98%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-126.7132.2-174.9-54.9166.7000109.2V9 F11 E24 F27 R28 V31 W40V9-I42 HydrophobicContact CG1-CG1 4.26Å; V9-I42 HydrophobicContact CG1-CG2 4.45Å; F11-I42 HydrophobicContact CE2-CG2 4.15Å; E24-I42 HydrophobicContact CG-CG2 3.7Å; F27-I42 HydrophobicContact CD1-CD1 3.52Å; F27-I42 HydrophobicContact CD1-CG1 3.79Å; F27-I42 HydrophobicContact CD1-CG2 4.11Å; F27-I42 HydrophobicContact CE1-CD1 3.84Å; F27-I42 HydrophobicContact CE1-CG1 3.98Å; R28-I42 HydrophobicContact CB-CD1 4.32Å; R28-I42 PolarHBondContact NH2-O 2.67Å; V31-I42 HydrophobicContact CG1-CD1 4.44Å; V31-I42 HydrophobicContact CG2-CD1 3.56Å; W40-I42 HydrophobicContact CB-CD1 3.95Å; W40-I42 HydrophobicContact CB-CG1 3.92Å
43D98.8Very high97.2Very high35 Ų3559.7 Ų59.719%0.18732%0.316CS..EExtended strand (participates in β ladder)trans-155.2171.2179.6-163.1-0.9000110.9V9 L10 F11 H73 R76 F86V9-D43 PolarHBondContact O-N 3.17Å; L10-D43 WeakPolarHBondContact CA-O 3.47Å; L10-D43 HydrophobicContact CD1-CB 3.84Å; F11-D43 PolarHBondContact N-O 3.07Å; D43-H73 IonicContact OD1-CE1 2.87Å; D43-R76 IonicContact OD1-NE 3.65Å; D43-R76 IonicContact OD2-CZ 3.06Å; D43-R76 IonicContact OD2-NE 3.84Å; D43-R76 PolarHBondContact OD2-NE 3.32Å; D43-R76 IonicContact OD2-NH2 3.92Å; D43-R76 PolarHBondContact OD2-NH2 3.3Å; D43-F86 HydrophobicContact CB-CE1 4.3Å; D43-F86 HydrophobicContact CB-CZ 3.76Å
44S98.9Very high97.3Very high0 Ų058.7 Ų58.70%031%0.31CS..EExtended strand (participates in β ladder)trans-138.4151.617066.70000113.5F11 N16 E24 H73F11-S44 CarbonylContact O-C 3.54Å; F11-S44 WeakPolarHBondContact O-CA 3.38Å; F11-S44 WeakPolarHBondContact O-CB 3.35Å; N16-S44 VanDerWaalsContact ND2-CB 3.35Å; N16-S44 WeakPolarHBondContact ND2-CB 3.42Å; N16-S44 PolarHBondContact ND2-OG 2.78Å; N16-S44 PolarHBondContact OD1-O 3.06Å; E24-S44 VanDerWaalsContact OE2-CB 3.25Å; E24-S44 WeakPolarHBondContact OE2-CB 3.29Å; E24-S44 PolarHBondContact OE2-N 2.98Å; E24-S44 PolarHBondContact OE2-OG 2.92Å; S44-H73 PolarHBondContact O-CE1 2.94Å; S44-H73 VanDerWaalsContact O-CE1 3.31Å; S44-H73 PolarHBondContact O-NE2 2.86Å; S44-H73 PolarHBondContact OG-CD2 3.37Å; S44-H73 PolarHBondContact OG-CE1 3.21Å; S44-H73 VanDerWaalsContact OG-CE1 3.31Å; S44-H73 PolarHBondContact OG-NE2 2.97Å; S44-H73 VanDerWaalsContact OG-NE2 3.11Å
45A98.9Very high97.4Very high0 Ų058.2 Ų58.20%032%0.315CS..EExtended strand (participates in β ladder)trans-147.3168.9-177.500000113.7L10 F11 V12 C13 N16 S20 R76 I78L10-A45 HydrophobicContact CD1-CB 3.95Å; L10-A45 HydrophobicContact CD2-CB 4.22Å; L10-A45 HydrophobicContact CG-CB 4.38Å; F11-A45 PolarHBondContact O-N 2.89Å; V12-A45 WeakPolarHBondContact CA-O 3.44Å; C13-A45 PolarHBondContact N-O 3.44Å; N16-A45 VanDerWaalsContact CB-C 3.45Å; N16-A45 VanDerWaalsContact CG-C 3.47Å; N16-A45 PolarHBondContact ND2-N 3.05Å; N16-A45 WeakPolarHBondContact OD1-CA 3.45Å; S20-A45 PolarHBondContact OG-O 3.27Å; A45-R76 CarbonylContact C-O 3.53Å; A45-R76 WeakPolarHBondContact CA-O 3.45Å; A45-R76 HydrophobicContact CB-CG 4.23Å; A45-I78 HydrophobicContact CB-CB 4.06Å
46A98.8Very high97.5Very high2 Ų251.5 Ų51.52%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-103.4145.6178.500000111.4C13 L14 N16 S48 R76 I78C13-A46 WeakPolarHBondContact O-CA 3.4Å; L14-A46 WeakPolarHBondContact O-CB 3.37Å; N16-A46 HydrophobicContact CB-CB 3.61Å; A46-S48 VanDerWaalsContact CB-O 3.32Å; A46-S48 WeakPolarHBondContact CB-O 3.49Å; A46-R76 WeakPolarHBondContact CB-O 3.37Å; A46-R76 PolarHBondContact N-O 3.18Å; A46-I78 WeakPolarHBondContact O-CG2 3.44Å; A46-I78 PolarHBondContact O-N 3.46Å
47T98.6Very high97.7Very high5 Ų550.8 Ų50.83%0.03127%0.274CS..SBendtrans-75.2-31164.559.40000112V12 C13 L14 Q77 D99 L100 K103V12-T47 HydrophobicContact CG1-CG2 3.61Å; C13-T47 PolarHBondContact O-N 2.93Å; L14-T47 PolarHBondContact O-N 3.34Å; T47-Q77 PolarHBondContact O-NE2 3.44Å; T47-D99 HydrophobicContact CG2-CB 4.28Å; T47-L100 HydrophobicContact CG2-CD2 4.35Å; T47-L100 HydrophobicContact CG2-CG 4.18Å; T47-K103 WeakPolarHBondContact O-CE 3.32Å; T47-K103 PolarHBondContact O-NZ 2.9Å
48S97.9Very high97.9Very high15 Ų1556.3 Ų56.311%0.10529%0.29CS..SBendtrans-95.5179.8178.576.50000112.9L14 A46 Y50 Q77L14-S48 WeakPolarHBondContact O-CB 3.26Å; L14-S48 PolarHBondContact O-N 3.12Å; L14-S48 VanDerWaalsContact O-N 3.16Å; L14-S48 PolarHBondContact O-OG 3.44Å; A46-S48 VanDerWaalsContact CB-O 3.32Å; A46-S48 WeakPolarHBondContact CB-O 3.49Å; S48-Y50 VanDerWaalsContact CB-CD2 3.43Å; S48-Y50 WeakPolarHBondContact OG-CD2 3.35Å; S48-Y50 PolarHBondContact OG-N 3.47Å; S48-Q77 WeakPolarHBondContact O-CG 3.43Å
49T97.6Very high98.1Very high86 Ų8651 Ų5153%0.52826%0.259SS..SBendtrans-109.74.2172.554.90000113.1E51 V52 Q77T49-E51 VanDerWaalsContact C-N 3.25Å; T49-E51 PolarHBondContact O-N 2.8Å; T49-V52 PolarHBondContact O-N 3.48Å; T49-Q77 VanDerWaalsContact CG2-CD 3.41Å; T49-Q77 HydrophobicContact CG2-CG 4.37Å; T49-Q77 VanDerWaalsContact CG2-OE1 3.26Å
50Y97.3Very high98.2Very high176 Ų17647.6 Ų47.669%0.6924%0.24SC*.THydrogen-bonded Turntrans-58.1-37.4-166-66.5-53.5000113.6S48S48-Y50 VanDerWaalsContact CB-CD2 3.43Å; S48-Y50 WeakPolarHBondContact OG-CD2 3.35Å; S48-Y50 PolarHBondContact OG-N 3.47Å
51E98.3Very high98.3Very high49 Ų4949.9 Ų49.923%0.22925%0.252CS..THydrogen-bonded Turntrans-116.911.7-169.9-59.2-63.5154.800112.8G15 I17 T49 G53 N54 A75G15-E51 WeakPolarHBondContact O-CB 3.38Å; I17-E51 HydrophobicContact CD1-CG 3.79Å; I17-E51 HydrophobicContact CG1-CG 4.07Å; I17-E51 HydrophobicContact CG2-CB 3.62Å; I17-E51 HydrophobicContact CG2-CG 3.99Å; T49-E51 VanDerWaalsContact C-N 3.25Å; T49-E51 PolarHBondContact O-N 2.8Å; E51-G53 PolarHBondContact O-N 3.44Å; E51-N54 HydrophobicContact CB-CB 4.47Å; E51-N54 VanDerWaalsContact O-CB 3.28Å; E51-N54 WeakPolarHBondContact O-CB 3.1Å; E51-N54 PolarHBondContact O-N 3.08Å; E51-N54 PolarHBondContact OE2-ND2 3.22Å; E51-A75 HydrophobicContact CB-CB 4.36Å; E51-A75 WeakPolarHBondContact O-CB 3.41Å
52V98.4Very high98.3Very high78 Ų7848.8 Ų48.847%0.47325%0.253SS..THydrogen-bonded Turntrans-57.4127.2-176.1173.60000110.4T49 A75 Q77T49-V52 PolarHBondContact O-N 3.48Å; V52-A75 CarbonylContact C-O 3.55Å; V52-A75 WeakPolarHBondContact CA-O 3.37Å; V52-Q77 HydrophobicContact CG2-CB 4.16Å
53G98.3Very high98.3Very high44 Ų4448.3 Ų48.345%0.45425%0.251SS..THydrogen-bonded Turntrans94.1-11.8-175.800000114.7E51 A75E51-G53 PolarHBondContact O-N 3.44Å; G53-A75 PolarHBondContact N-O 3.36Å
54N98.4Very high98.3Very high71 Ų7146.6 Ų46.638%0.3824%0.242SC..PPolyproline II helixtrans-84.4150.3179.6-68.1-21.4000112.1I17 E51 A75I17-N54 HydrophobicContact CG2-CB 4.43Å; E51-N54 HydrophobicContact CB-CB 4.47Å; E51-N54 VanDerWaalsContact O-CB 3.28Å; E51-N54 WeakPolarHBondContact O-CB 3.1Å; E51-N54 PolarHBondContact O-N 3.08Å; E51-N54 PolarHBondContact OE2-ND2 3.22Å; N54-A75 WeakPolarHBondContact O-CB 3.4Å; N54-A75 PolarHBondContact O-N 3.47Å
55P98.4Very high98.2Very high75 Ų7554.7 Ų54.749%0.48728%0.278SS..PPolyproline II helixtrans-71.5166.9169.832.7-36.1000111.2
56P98.3Very high98.2Very high6 Ų661.6 Ų61.64%0.03931%0.307CS..PPolyproline II helixtrans-53.3150.8170.1-27.535.3000112.8I17 P21 Y58 Q61 M71 H73I17-P56 CarbonylContact O-C 3.52Å; I17-P56 VanDerWaalsContact O-CA 3.32Å; I17-P56 WeakPolarHBondContact O-CA 3.43Å; P21-P56 HydrophobicContact CB-CB 4.23Å; P21-P56 HydrophobicContact CB-CG 3.95Å; P21-P56 HydrophobicContact CG-CG 4.36Å; P56-Y58 PolarHBondContact O-N 3.42Å; P56-Q61 HydrophobicContact CB-CG 4.09Å; P56-Q61 PolarHBondContact O-NE2 3.31Å; P56-M71 HydrophobicContact CB-CE 3.74Å; P56-M71 HydrophobicContact CB-SD 4.48Å; P56-M71 HydrophobicContact CG-CB 4.43Å; P56-M71 HydrophobicContact CG-CE 4.43Å; P56-H73 VanDerWaalsContact CD-O 3.3Å; P56-H73 WeakPolarHBondContact CD-O 3.15Å; P56-H73 HydrophobicContact CG-CB 3.93Å
57D98.3Very high98.1Very high19 Ų1964.3 Ų64.310%0.10232%0.32CS..PPolyproline II helixtrans-56.8133.8176.8-173.3-60000110.1I17 R59 G60 Q61 F139I17-D57 PolarHBondContact O-N 3.18Å; D57-R59 PolarHBondContact O-N 3.27Å; D57-R59 VanDerWaalsContact OD1-CB 3.26Å; D57-R59 WeakPolarHBondContact OD1-CB 3.38Å; D57-R59 WeakPolarHBondContact OD1-CG 3.3Å; D57-R59 IonicContact OD1-CZ 2.71Å; D57-R59 PolarHBondContact OD1-N 2.91Å; D57-R59 IonicContact OD1-NE 3.23Å; D57-R59 PolarHBondContact OD1-NE 3.26Å; D57-R59 IonicContact OD1-NH2 2.81Å; D57-R59 IonicContact OD2-CZ 3.56Å; D57-R59 IonicContact OD2-NE 3.38Å; D57-R59 PolarHBondContact OD2-NE 2.87Å; D57-R59 IonicContact OD2-NH2 3.23Å; D57-R59 PolarHBondContact OD2-NH2 2.95Å; D57-G60 WeakPolarHBondContact O-CA 3.37Å; D57-G60 PolarHBondContact O-N 3.49Å; D57-Q61 PolarHBondContact O-N 3.32Å; D57-F139 HydrophobicContact CB-CE1 4.48Å
58Y97.8Very high98.1Very high160 Ų16067.1 Ų67.163%0.62735%0.349SS*.Hα-helixtrans-60.5-29.8-175.577.5-87.9000112.8P56 Q61 N62P56-Y58 PolarHBondContact O-N 3.42Å; Y58-Q61 PolarHBondContact O-N 3.43Å; Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 VanDerWaalsContact O-CG 3.26Å; Y58-N62 PolarHBondContact O-N 3.26Å; Y58-N62 PolarHBondContact O-ND2 2.97Å
59R98.4Very high98.1Very high37 Ų3767.1 Ų67.114%0.1435%0.348CS..Hα-helixtrans-66-43.2175.7-63.1170.9-72175-3.5110.5D57 N62 C63 Y132 G134 F139D57-R59 PolarHBondContact O-N 3.27Å; D57-R59 VanDerWaalsContact OD1-CB 3.26Å; D57-R59 WeakPolarHBondContact OD1-CB 3.38Å; D57-R59 WeakPolarHBondContact OD1-CG 3.3Å; D57-R59 IonicContact OD1-CZ 2.71Å; D57-R59 PolarHBondContact OD1-N 2.91Å; D57-R59 IonicContact OD1-NE 3.23Å; D57-R59 PolarHBondContact OD1-NE 3.26Å; D57-R59 IonicContact OD1-NH2 2.81Å; D57-R59 IonicContact OD2-CZ 3.56Å; D57-R59 IonicContact OD2-NE 3.38Å; D57-R59 PolarHBondContact OD2-NE 2.87Å; D57-R59 IonicContact OD2-NH2 3.23Å; D57-R59 PolarHBondContact OD2-NH2 2.95Å; R59-N62 PolarHBondContact O-N 3.48Å; R59-C63 PolarHBondContact O-N 3.02Å; R59-Y132 PolarHBondContact NH1-O 3.06Å; R59-Y132 PolarHBondContact NH2-O 3.05Å; R59-Y132 VanDerWaalsContact NH2-O 3.08Å; R59-G134 PolarHBondContact NH1-O 3.02Å; R59-F139 HydrophobicContact CB-CD1 4.42Å; R59-F139 HydrophobicContact CB-CD2 3.83Å; R59-F139 HydrophobicContact CB-CE1 4.17Å; R59-F139 HydrophobicContact CB-CE2 3.58Å; R59-F139 HydrophobicContact CB-CG 4.25Å; R59-F139 HydrophobicContact CB-CZ 3.75Å; R59-F139 HydrophobicContact CG-CE2 4.31Å
60G98Very high97.8Very high0 Ų070 Ų700%036%0.356CS..Hα-helixtrans-61.8-45.3171.600000112D57 N62 C63 M64 M71 F139D57-G60 WeakPolarHBondContact O-CA 3.37Å; D57-G60 PolarHBondContact O-N 3.49Å; G60-N62 VanDerWaalsContact C-N 3.32Å; G60-N62 PolarHBondContact O-N 3.46Å; G60-C63 WeakPolarHBondContact O-CB 3.3Å; G60-C63 PolarHBondContact O-N 3.21Å; G60-M64 VanDerWaalsContact O-CG 3.3Å; G60-M64 WeakPolarHBondContact O-CG 3.47Å; G60-M64 PolarHBondContact O-N 3.03Å; G60-M71 VanDerWaalsContact C-CE 3.4Å; G60-F139 VanDerWaalsContact CA-CD1 3.48Å
61Q97.8Very high97.5Very high72 Ų7262.3 Ų62.334%0.33633%0.326SS..Hα-helixtrans-58.6-43175.5-66.4-175.257.600112.2P56 D57 Y58 M64 K65 M71P56-Q61 HydrophobicContact CB-CG 4.09Å; P56-Q61 PolarHBondContact O-NE2 3.31Å; D57-Q61 PolarHBondContact O-N 3.32Å; Y58-Q61 PolarHBondContact O-N 3.43Å; Q61-M64 PolarHBondContact O-N 3.5Å; Q61-K65 WeakPolarHBondContact O-CB 3.28Å; Q61-K65 PolarHBondContact O-N 2.86Å; Q61-M71 HydrophobicContact CB-CE 4.23Å; Q61-M71 HydrophobicContact CG-CE 3.74Å; Q61-M71 VanDerWaalsContact N-CE 3.32Å
62N97.9Very high97.1Very high79 Ų7968 Ų6842%0.42235%0.352SS..Hα-helixtrans-65.4-41.6177.2-75.4-21.9000112.3Y58 R59 G60 K66Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 VanDerWaalsContact O-CG 3.26Å; Y58-N62 PolarHBondContact O-N 3.26Å; Y58-N62 PolarHBondContact O-ND2 2.97Å; R59-N62 PolarHBondContact O-N 3.48Å; G60-N62 VanDerWaalsContact C-N 3.32Å; G60-N62 PolarHBondContact O-N 3.46Å; N62-K66 WeakPolarHBondContact O-CG 3.19Å; N62-K66 PolarHBondContact O-N 3.44Å
63C98.6Very high97.1Very high5 Ų565.4 Ų65.43%0.03434%0.335CS..Hα-helixtrans-57.9-53.1172.9173.60000110.6R59 G60 K65 K66 H67 F139R59-C63 PolarHBondContact O-N 3.02Å; G60-C63 WeakPolarHBondContact O-CB 3.3Å; G60-C63 PolarHBondContact O-N 3.21Å; C63-K65 VanDerWaalsContact C-N 3.3Å; C63-K65 PolarHBondContact O-N 2.92Å; C63-K66 WeakPolarHBondContact O-CB 3.39Å; C63-K66 PolarHBondContact O-N 3.46Å; C63-H67 PolarHBondContact O-CD2 2.9Å; C63-H67 VanDerWaalsContact O-CD2 3.23Å; C63-F139 HydrophobicContact CB-CB 4.18Å
64M98.5Very high97.1Very high0 Ų068.1 Ų68.10%034%0.338CS..Hα-helixtrans-62.1-36.7-178-66.3-61-79.600113I22 A25 V26 G60 Q61 K66 H67 G68 I69 M71 Y143I22-M64 HydrophobicContact CB-SD 4.42Å; I22-M64 HydrophobicContact CG1-CG 4.09Å; I22-M64 HydrophobicContact CG1-SD 4.24Å; I22-M64 HydrophobicContact CG2-CE 4.43Å; I22-M64 HydrophobicContact CG2-SD 3.85Å; A25-M64 HydrophobicContact CB-CE 3.78Å; V26-M64 HydrophobicContact CG2-CE 3.68Å; V26-M64 HydrophobicContact CG2-SD 4.33Å; G60-M64 VanDerWaalsContact O-CG 3.3Å; G60-M64 WeakPolarHBondContact O-CG 3.47Å; G60-M64 PolarHBondContact O-N 3.03Å; Q61-M64 PolarHBondContact O-N 3.5Å; M64-K66 VanDerWaalsContact C-N 3.32Å; M64-K66 PolarHBondContact O-N 2.84Å; M64-H67 CarbonylContact O-C 3.5Å; M64-H67 PolarHBondContact O-N 3.11Å; M64-G68 PolarHBondContact O-N 2.91Å; M64-I69 CarbonylContact C-O 3.52Å; M64-I69 VanDerWaalsContact C-O 3.25Å; M64-I69 HydrophobicContact CB-CB 4.49Å; M64-I69 WeakPolarHBondContact CB-O 3.35Å; M64-I69 HydrophobicContact CE-CB 3.73Å; M64-I69 HydrophobicContact CE-CD1 3.91Å; M64-I69 HydrophobicContact CE-CG1 4.43Å; M64-I69 HydrophobicContact CE-CG2 3.45Å; M64-I69 VanDerWaalsContact CE-CG2 3.45Å; M64-I69 PolarHBondContact O-N 2.9Å; M64-M71 HydrophobicContact CB-CE 4.41Å; M64-M71 HydrophobicContact CB-CG 4.07Å; M64-M71 HydrophobicContact CB-SD 4.48Å; M64-M71 HydrophobicContact CE-CG 4.26Å; M64-M71 HydrophobicContact CG-CE 3.89Å; M64-M71 HydrophobicContact CG-CG 3.82Å; M64-M71 HydrophobicContact CG-SD 3.69Å; M64-Y143 HydrophobicContact SD-CD2 3.63Å; M64-Y143 HydrophobicContact SD-CE2 4.23Å
65K97.8Very high97.1Very high170 Ų17064.9 Ų64.974%0.73932%0.321SS*.Hα-helixtrans-61.7-36.3174.6-172.5177.5179.8-179.80112.7Q61 C63 H67 G68Q61-K65 WeakPolarHBondContact O-CB 3.28Å; Q61-K65 PolarHBondContact O-N 2.86Å; C63-K65 VanDerWaalsContact C-N 3.3Å; C63-K65 PolarHBondContact O-N 2.92Å; K65-H67 PolarHBondContact O-N 3.2Å; K65-G68 PolarHBondContact O-N 3.37Å; K65-G68 VanDerWaalsContact O-N 3.09Å
66K98Very high97.1Very high144 Ų14464 Ų6463%0.62631%0.308SS*.Hα-helixtrans-62.3-28.2175.4-66.2167.5-172.7174.80111.8N62 C63 M64N62-K66 WeakPolarHBondContact O-CG 3.19Å; N62-K66 PolarHBondContact O-N 3.44Å; C63-K66 WeakPolarHBondContact O-CB 3.39Å; C63-K66 PolarHBondContact O-N 3.46Å; M64-K66 VanDerWaalsContact C-N 3.32Å; M64-K66 PolarHBondContact O-N 2.84Å
67H98.3Very high97.1Very high60 Ų6066.9 Ų66.928%0.27832%0.321SS..THydrogen-bonded Turntrans-94.67.5177.4-61.7-68.9000113.6C63 M64 K65 I69 E140 Y143C63-H67 PolarHBondContact O-CD2 2.9Å; C63-H67 VanDerWaalsContact O-CD2 3.23Å; M64-H67 CarbonylContact O-C 3.5Å; M64-H67 PolarHBondContact O-N 3.11Å; K65-H67 PolarHBondContact O-N 3.2Å; H67-I69 VanDerWaalsContact C-N 3.25Å; H67-I69 HydrophobicContact CB-CD1 4.49Å; H67-I69 HydrophobicContact CB-CG1 4.47Å; H67-I69 PolarHBondContact O-N 2.94Å; H67-E140 IonicContact CD2-OE2 2.79Å; H67-E140 IonicContact CE1-OE1 2.81Å; H67-E140 PolarHBondContact CE1-OE1 3.37Å; H67-E140 IonicContact CE1-OE2 3.53Å; H67-E140 IonicContact NE2-OE1 2.83Å; H67-E140 PolarHBondContact NE2-OE1 3.5Å; H67-E140 IonicContact NE2-OE2 2.64Å; H67-E140 PolarHBondContact NE2-OE2 2.62Å; H67-Y143 HydrophobicContact CB-CE1 4.35Å; H67-Y143 HydrophobicContact CB-CE2 4.08Å; H67-Y143 AromaticContact CD2-CD1 3.52Å; H67-Y143 AromaticContact CD2-CE1 3.38Å; H67-Y143 WeakPolarHBondContact CD2-CE1 3.31Å; H67-Y143 AromaticContact CD2-CE2 3.97Å; H67-Y143 AromaticContact CD2-CG 3.87Å; H67-Y143 AromaticContact CD2-CZ 3.6Å; H67-Y143 AromaticContact CE1-CD1 3.71Å; H67-Y143 AromaticContact CE1-CE1 3.23Å; H67-Y143 WeakPolarHBondContact CE1-CE1 3.11Å; H67-Y143 AromaticContact CE1-CZ 3.94Å; H67-Y143 AromaticContact CG-CE1 3.45Å; H67-Y143 VanDerWaalsContact CG-CE1 3.45Å; H67-Y143 AromaticContact CG-CE2 3.96Å; H67-Y143 AromaticContact CG-CZ 3.35Å; H67-Y143 AromaticContact ND1-CE1 3.37Å; H67-Y143 WeakPolarHBondContact ND1-CE1 3.41Å; H67-Y143 AromaticContact ND1-CZ 3.6Å; H67-Y143 PolarHBondContact ND1-OH 3.14Å; H67-Y143 AromaticContact NE2-CD1 3.26Å; H67-Y143 VanDerWaalsContact NE2-CD1 3.26Å; H67-Y143 WeakPolarHBondContact NE2-CD1 3.25Å; H67-Y143 AromaticContact NE2-CE1 3.24Å; H67-Y143 WeakPolarHBondContact NE2-CE1 3.35Å; H67-Y143 AromaticContact NE2-CG 4Å; H67-Y143 AromaticContact NE2-CZ 3.96Å
68G97.7Very high97.2Very high63 Ų6366.4 Ų66.465%0.64932%0.319SS*.THydrogen-bonded Turntrans68.621.6-179.900000114M64 K65M64-G68 PolarHBondContact O-N 2.91Å; K65-G68 PolarHBondContact O-N 3.37Å; K65-G68 VanDerWaalsContact O-N 3.09Å
69I97.7Very high97.2Very high16 Ų1661.6 Ų61.68%0.08231%0.306CS..  trans-107.7125.9179.2-54.6175.6000109A25 V26 K29 M64 H67 Y143A25-I69 HydrophobicContact CB-CG2 3.88Å; V26-I69 HydrophobicContact CG2-CD1 4.27Å; K29-I69 HydrophobicContact CB-CD1 4.34Å; K29-I69 HydrophobicContact CB-CG1 4.49Å; K29-I69 HydrophobicContact CD-CG1 4.26Å; K29-I69 HydrophobicContact CG-CD1 4.2Å; K29-I69 HydrophobicContact CG-CG1 4.16Å; M64-I69 CarbonylContact C-O 3.52Å; M64-I69 VanDerWaalsContact C-O 3.25Å; M64-I69 HydrophobicContact CB-CB 4.49Å; M64-I69 WeakPolarHBondContact CB-O 3.35Å; M64-I69 HydrophobicContact CE-CB 3.73Å; M64-I69 HydrophobicContact CE-CD1 3.91Å; M64-I69 HydrophobicContact CE-CG1 4.43Å; M64-I69 HydrophobicContact CE-CG2 3.45Å; M64-I69 VanDerWaalsContact CE-CG2 3.45Å; M64-I69 PolarHBondContact O-N 2.9Å; H67-I69 VanDerWaalsContact C-N 3.25Å; H67-I69 HydrophobicContact CB-CD1 4.49Å; H67-I69 HydrophobicContact CB-CG1 4.47Å; H67-I69 PolarHBondContact O-N 2.94Å; I69-Y143 HydrophobicContact CD1-CE2 3.95Å
70H90.6Very high97.1Very high147 Ų14766.2 Ų66.268%0.68132%0.323SS*.  trans-87.8133.1173.8-170.163.2000110.2
71M91.3Very high97.1Very high13 Ų1372 Ų726%0.06435%0.351CS..  trans-104.6117.5168.7-69.3-161.3-59.800109.1P21 I22 A25 P56 G60 Q61 M64P21-M71 HydrophobicContact CB-SD 4.04Å; I22-M71 HydrophobicContact CB-SD 4.48Å; I22-M71 HydrophobicContact CG1-CE 4.33Å; I22-M71 HydrophobicContact CG1-SD 3.82Å; A25-M71 HydrophobicContact CB-CG 3.67Å; P56-M71 HydrophobicContact CB-CE 3.74Å; P56-M71 HydrophobicContact CB-SD 4.48Å; P56-M71 HydrophobicContact CG-CB 4.43Å; P56-M71 HydrophobicContact CG-CE 4.43Å; G60-M71 VanDerWaalsContact C-CE 3.4Å; Q61-M71 HydrophobicContact CB-CE 4.23Å; Q61-M71 HydrophobicContact CG-CE 3.74Å; Q61-M71 VanDerWaalsContact N-CE 3.32Å; M64-M71 HydrophobicContact CB-CE 4.41Å; M64-M71 HydrophobicContact CB-CG 4.07Å; M64-M71 HydrophobicContact CB-SD 4.48Å; M64-M71 HydrophobicContact CE-CG 4.26Å; M64-M71 HydrophobicContact CG-CE 3.89Å; M64-M71 HydrophobicContact CG-CG 3.82Å; M64-M71 HydrophobicContact CG-SD 3.69Å
72Q91.2Very high97.1Very high168 Ų16868.9 Ų68.979%0.78534%0.336SS*.  trans-124.4102.2169.6-172.2177.22000107.9
73H97.5Very high97.2Very high25 Ų2565.3 Ų65.312%0.11632%0.316CS..  trans-146.3156.7-178.3-167.857.8000110.1N16 P21 E24 D43 S44 P56N16-H73 PolarHBondContact ND2-NE2 3.45Å; N16-H73 PolarHBondContact OD1-NE2 3.23Å; P21-H73 HydrophobicContact CB-CB 4.48Å; E24-H73 IonicContact OE2-CE1 3.67Å; E24-H73 IonicContact OE2-CG 2.92Å; E24-H73 IonicContact OE2-ND1 2.93Å; E24-H73 PolarHBondContact OE2-ND1 3.47Å; D43-H73 IonicContact OD1-CE1 2.87Å; S44-H73 PolarHBondContact O-CE1 2.94Å; S44-H73 VanDerWaalsContact O-CE1 3.31Å; S44-H73 PolarHBondContact O-NE2 2.86Å; S44-H73 PolarHBondContact OG-CD2 3.37Å; S44-H73 PolarHBondContact OG-CE1 3.21Å; S44-H73 VanDerWaalsContact OG-CE1 3.31Å; S44-H73 PolarHBondContact OG-NE2 2.97Å; S44-H73 VanDerWaalsContact OG-NE2 3.11Å; P56-H73 VanDerWaalsContact CD-O 3.3Å; P56-H73 WeakPolarHBondContact CD-O 3.15Å; P56-H73 HydrophobicContact CG-CB 3.93Å
74I98.5Very high97.1Very high100 Ų10067 Ų6751%0.51333%0.331SS..  trans-128.5121.4167.8-63.8-66.3000106.5R76I74-R76 PolarHBondContact O-N 3.25Å
75A98.8Very high96.9Very high3 Ų370 Ų703%0.02535%0.349CS..  trans-56130.5-174.900000110.7N16 I17 E51 V52 G53 N54N16-A75 HydrophobicContact CB-CB 4.19Å; N16-A75 VanDerWaalsContact OD1-CA 3.31Å; N16-A75 WeakPolarHBondContact OD1-CA 3.41Å; I17-A75 HydrophobicContact CG2-CB 3.96Å; E51-A75 HydrophobicContact CB-CB 4.36Å; E51-A75 WeakPolarHBondContact O-CB 3.41Å; V52-A75 CarbonylContact C-O 3.55Å; V52-A75 WeakPolarHBondContact CA-O 3.37Å; G53-A75 PolarHBondContact N-O 3.36Å; N54-A75 WeakPolarHBondContact O-CB 3.4Å; N54-A75 PolarHBondContact O-N 3.47Å
76R98.8Very high97Very high56 Ų5661.9 Ų61.921%0.21131%0.314CS..  trans-133.8152.5178.668.7173.8-166.483.1-11.9110.2N16 D43 A45 A46 I74 D82N16-R76 PolarHBondContact OD1-N 2.73Å; N16-R76 PolarHBondContact OD1-O 2.93Å; D43-R76 IonicContact OD1-NE 3.65Å; D43-R76 IonicContact OD2-CZ 3.06Å; D43-R76 IonicContact OD2-NE 3.84Å; D43-R76 PolarHBondContact OD2-NE 3.32Å; D43-R76 IonicContact OD2-NH2 3.92Å; D43-R76 PolarHBondContact OD2-NH2 3.3Å; A45-R76 CarbonylContact C-O 3.53Å; A45-R76 WeakPolarHBondContact CA-O 3.45Å; A45-R76 HydrophobicContact CB-CG 4.23Å; A46-R76 WeakPolarHBondContact CB-O 3.37Å; A46-R76 PolarHBondContact N-O 3.18Å; I74-R76 PolarHBondContact O-N 3.25Å; R76-D82 IonicContact CZ-OD1 3.62Å; R76-D82 IonicContact CZ-OD2 3.89Å; R76-D82 IonicContact NH1-OD1 3.44Å; R76-D82 IonicContact NH1-OD2 2.76Å; R76-D82 PolarHBondContact NH1-OD2 3.13Å; R76-D82 IonicContact NH2-OD1 2.86Å; R76-D82 PolarHBondContact NH2-OD1 2.86Å; R76-D82 IonicContact NH2-OD2 3.5Å
77Q98.8Very high97Very high68 Ų6856.7 Ų56.732%0.31829%0.293SS..BIsolated β-bridgetrans-79.5148.1172.8-167.8178.134.700110.7T47 S48 T49 V52T47-Q77 PolarHBondContact O-NE2 3.44Å; S48-Q77 WeakPolarHBondContact O-CG 3.43Å; T49-Q77 VanDerWaalsContact CG2-CD 3.41Å; T49-Q77 HydrophobicContact CG2-CG 4.37Å; T49-Q77 VanDerWaalsContact CG2-OE1 3.26Å; V52-Q77 HydrophobicContact CG2-CB 4.16Å
78I98.7Very high97Very high9 Ų956 Ų565%0.04629%0.288CS..  trans-65.6137167-164.6173.2000111.2L10 V12 A45 A46 D82 F83 I89 L100 K103L10-I78 HydrophobicContact CD2-CD1 3.85Å; L10-I78 HydrophobicContact CD2-CG1 3.96Å; V12-I78 HydrophobicContact CG2-CD1 4.21Å; A45-I78 HydrophobicContact CB-CB 4.06Å; A46-I78 WeakPolarHBondContact O-CG2 3.44Å; A46-I78 PolarHBondContact O-N 3.46Å; I78-D82 WeakPolarHBondContact CA-OD2 3.36Å; I78-D82 HydrophobicContact CD1-CB 4.29Å; I78-D82 HydrophobicContact CG1-CB 3.68Å; I78-F83 HydrophobicContact CD1-CE1 4.18Å; I78-F83 HydrophobicContact CD1-CE2 3.89Å; I78-F83 HydrophobicContact CD1-CZ 3.67Å; I78-F83 HydrophobicContact CG1-CE2 4.12Å; I78-F83 HydrophobicContact CG1-CZ 4.36Å; I78-I89 HydrophobicContact CD1-CD1 4Å; I78-L100 HydrophobicContact CD1-CD2 3.43Å; I78-L100 VanDerWaalsContact CD1-CD2 3.43Å; I78-L100 HydrophobicContact CG2-CD2 4.47Å; I78-K103 HydrophobicContact CG2-CD 4.18Å
79T98.3Very high97Very high58 Ų5853 Ų5336%0.35626%0.257SS..  trans-109.1174.7-176.464.70000111.5E81 D82 F83T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 WeakPolarHBondContact CB-OE2 3.37Å; T79-D82 PolarHBondContact N-OD2 3.38Å; T79-D82 VanDerWaalsContact OG1-CG 3.22Å; T79-D82 PolarHBondContact OG1-N 3.07Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; T79-F83 WeakPolarHBondContact O-CD2 3.32Å; T79-F83 WeakPolarHBondContact O-CE2 3.34Å
80R97.1Very high97.1Very high135 Ų13552.2 Ų52.251%0.50925%0.254SS..Hα-helixtrans-69.9-34.6174.8-69.2175.3176.3-99-3.9110.8D82 F83 Q106 V107R80-D82 VanDerWaalsContact C-N 3.29Å; R80-D82 PolarHBondContact O-N 2.9Å; R80-F83 PolarHBondContact O-N 3.3Å; R80-Q106 PolarHBondContact NH1-O 3.36Å; R80-V107 HydrophobicContact CB-CG2 4.13Å; R80-V107 HydrophobicContact CG-CG2 4.13Å
81E97.6Very high97.5Very high122 Ų12245.2 Ų45.257%0.5722%0.221SC*.Hα-helixtrans-65.6-32.6179.6-65.667.5-150.300111.4T79 F83 A84 T85T79-E81 VanDerWaalsContact C-N 3.3Å; T79-E81 WeakPolarHBondContact CB-OE2 3.37Å; E81-F83 VanDerWaalsContact C-N 3.32Å; E81-F83 PolarHBondContact O-N 2.89Å; E81-A84 PolarHBondContact O-N 3.48Å; E81-A84 VanDerWaalsContact O-N 3.1Å; E81-T85 WeakPolarHBondContact O-CB 3.38Å; E81-T85 VanDerWaalsContact O-CG2 3.31Å; E81-T85 WeakPolarHBondContact O-CG2 3.47Å; E81-T85 PolarHBondContact O-N 3.31Å; E81-T85 PolarHBondContact O-OG1 3.5Å
82D98.3Very high97.9Very high5 Ų544.6 Ų44.63%0.02722%0.218CC..Hα-helixtrans-58.2-44175.8-72.5-48.9000111.4L10 R76 I78 T79 R80 A84 T85 F86L10-D82 HydrophobicContact CD2-CB 3.78Å; R76-D82 IonicContact CZ-OD1 3.62Å; R76-D82 IonicContact CZ-OD2 3.89Å; R76-D82 IonicContact NH1-OD1 3.44Å; R76-D82 IonicContact NH1-OD2 2.76Å; R76-D82 PolarHBondContact NH1-OD2 3.13Å; R76-D82 IonicContact NH2-OD1 2.86Å; R76-D82 PolarHBondContact NH2-OD1 2.86Å; R76-D82 IonicContact NH2-OD2 3.5Å; I78-D82 WeakPolarHBondContact CA-OD2 3.36Å; I78-D82 HydrophobicContact CD1-CB 4.29Å; I78-D82 HydrophobicContact CG1-CB 3.68Å; T79-D82 PolarHBondContact N-OD2 3.38Å; T79-D82 VanDerWaalsContact OG1-CG 3.22Å; T79-D82 PolarHBondContact OG1-N 3.07Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; R80-D82 VanDerWaalsContact C-N 3.29Å; R80-D82 PolarHBondContact O-N 2.9Å; D82-A84 PolarHBondContact O-N 2.83Å; D82-T85 PolarHBondContact O-N 2.64Å; D82-F86 HydrophobicContact CB-CD2 4.16Å; D82-F86 WeakPolarHBondContact O-CB 3.47Å; D82-F86 WeakPolarHBondContact O-CD2 3.4Å; D82-F86 PolarHBondContact O-N 2.95Å; D82-F86 VanDerWaalsContact OD1-CE2 3.31Å; D82-F86 WeakPolarHBondContact OD1-CE2 3.37Å
83F98.4Very high98.2Very high4 Ų437.8 Ų37.82%0.01819%0.187CC..Hα-helixtrans-65.2-25.6177.5-63.1-84.6000113.7I78 T79 R80 E81 I89 L100 K103 V107 K111 A112 I114I78-F83 HydrophobicContact CD1-CE1 4.18Å; I78-F83 HydrophobicContact CD1-CE2 3.89Å; I78-F83 HydrophobicContact CD1-CZ 3.67Å; I78-F83 HydrophobicContact CG1-CE2 4.12Å; I78-F83 HydrophobicContact CG1-CZ 4.36Å; T79-F83 WeakPolarHBondContact O-CD2 3.32Å; T79-F83 WeakPolarHBondContact O-CE2 3.34Å; R80-F83 PolarHBondContact O-N 3.3Å; E81-F83 VanDerWaalsContact C-N 3.32Å; E81-F83 PolarHBondContact O-N 2.89Å; F83-I89 HydrophobicContact CD1-CD1 3.6Å; F83-I89 HydrophobicContact CE1-CD1 3.89Å; F83-I89 HydrophobicContact CG-CD1 4.21Å; F83-L100 HydrophobicContact CE1-CD2 4.09Å; F83-L100 HydrophobicContact CZ-CD2 3.94Å; F83-K103 HydrophobicContact CE2-CB 4.07Å; F83-K103 HydrophobicContact CZ-CB 3.7Å; F83-V107 HydrophobicContact CB-CG1 4.29Å; F83-V107 HydrophobicContact CB-CG2 4.34Å; F83-V107 HydrophobicContact CD2-CG2 4Å; F83-V107 HydrophobicContact CG-CG2 4.33Å; F83-K111 PolarHBondContact O-N 3.01Å; F83-A112 PolarHBondContact O-N 2.65Å; F83-I114 HydrophobicContact CD1-CD1 4.05Å; F83-I114 HydrophobicContact CE1-CD1 3.9Å
84A96.5Very high98.3Very high40 Ų4042 Ų4233%0.33121%0.207SC..Hα-helixtrans-89.4-26.6-179.900000112.9E81 D82 N109E81-A84 PolarHBondContact O-N 3.48Å; E81-A84 VanDerWaalsContact O-N 3.1Å; D82-A84 PolarHBondContact O-N 2.83Å; A84-N109 WeakPolarHBondContact CA-O 3.25Å
85T96Very high98.3Very high63 Ų6340.7 Ų40.739%0.38721%0.206SC..Hα-helixtrans-106-25.9-169.861.20000114.2S8 R41 E81 D82S8-T85 PolarHBondContact OG-O 2.81Å; R41-T85 PolarHBondContact NH1-OG1 3.38Å; E81-T85 WeakPolarHBondContact O-CB 3.38Å; E81-T85 VanDerWaalsContact O-CG2 3.31Å; E81-T85 WeakPolarHBondContact O-CG2 3.47Å; E81-T85 PolarHBondContact O-N 3.31Å; E81-T85 PolarHBondContact O-OG1 3.5Å; D82-T85 PolarHBondContact O-N 2.64Å
86F98.3Very high98.3Very high0 Ų040.7 Ų40.70%021%0.206CC..  trans-86.6143.9175.7-77.3-83.7000111.9S8 V9 L10 R41 D43 D82 I89 A112S8-F86 VanDerWaalsContact OG-CA 3.32Å; S8-F86 WeakPolarHBondContact OG-CA 3.25Å; V9-F86 VanDerWaalsContact C-CD1 3.42Å; V9-F86 VanDerWaalsContact O-CE1 3.31Å; V9-F86 WeakPolarHBondContact O-CE1 3.42Å; L10-F86 HydrophobicContact CB-CB 4.39Å; L10-F86 HydrophobicContact CB-CD1 3.77Å; L10-F86 HydrophobicContact CB-CD2 3.89Å; L10-F86 HydrophobicContact CB-CE1 3.93Å; L10-F86 HydrophobicContact CB-CE2 4.04Å; L10-F86 HydrophobicContact CB-CG 3.75Å; L10-F86 HydrophobicContact CB-CZ 4.06Å; L10-F86 HydrophobicContact CD1-CE2 4.14Å; L10-F86 HydrophobicContact CD1-CZ 4.1Å; L10-F86 HydrophobicContact CD2-CD2 4.14Å; L10-F86 HydrophobicContact CD2-CE2 4.22Å; L10-F86 HydrophobicContact CG-CD2 4.48Å; L10-F86 HydrophobicContact CG-CE2 4.37Å; R41-F86 HydrophobicContact CG-CE1 4.15Å; R41-F86 HydrophobicContact CG-CZ 4.45Å; R41-F86 VanDerWaalsContact CZ-CZ 3.43Å; R41-F86 VanDerWaalsContact NH2-CE2 3.31Å; D43-F86 HydrophobicContact CB-CE1 4.3Å; D43-F86 HydrophobicContact CB-CZ 3.76Å; D82-F86 HydrophobicContact CB-CD2 4.16Å; D82-F86 WeakPolarHBondContact O-CB 3.47Å; D82-F86 WeakPolarHBondContact O-CD2 3.4Å; D82-F86 PolarHBondContact O-N 2.95Å; D82-F86 VanDerWaalsContact OD1-CE2 3.31Å; D82-F86 WeakPolarHBondContact OD1-CE2 3.37Å; F86-I89 HydrophobicContact CB-CG1 4.5Å; F86-A112 WeakPolarHBondContact O-CA 3.42Å; F86-A112 VanDerWaalsContact O-CB 3.32Å; F86-A112 WeakPolarHBondContact O-CB 3.47Å; F86-A112 PolarHBondContact O-N 3.25Å
87D98.1Very high98.3Very high36 Ų3640 Ų4019%0.19321%0.206CC..SBendtrans-78.1-38.3172.1-56.1-58.9000110.6K7 S8 K111 A112 K113K7-D87 WeakPolarHBondContact CA-OD2 3.31Å; S8-D87 PolarHBondContact N-OD2 3.28Å; S8-D87 WeakPolarHBondContact O-CB 3.24Å; S8-D87 PolarHBondContact O-N 2.87Å; S8-D87 VanDerWaalsContact OG-CG 3.3Å; S8-D87 PolarHBondContact OG-N 3.42Å; S8-D87 PolarHBondContact OG-OD2 3.01Å; D87-K111 WeakPolarHBondContact OD1-CE 3.36Å; D87-K111 IonicContact OD1-NZ 2.74Å; D87-K111 PolarHBondContact OD1-NZ 2.96Å; D87-A112 WeakPolarHBondContact O-CA 3.24Å; D87-K113 PolarHBondContact O-N 3.35Å
88Y98.8Very high98.3Very high45 Ų4545.2 Ų45.218%0.17622%0.223CC..EExtended strand (participates in β ladder)trans-128.6134.4-179.1-58.6-87.5000111.4S8 V9 L10 K113 F153 L157S8-Y88 PolarHBondContact O-N 2.85Å; V9-Y88 WeakPolarHBondContact CA-O 3.41Å; L10-Y88 PolarHBondContact N-O 3.41Å; Y88-K113 WeakPolarHBondContact CA-O 3.43Å; Y88-K113 HydrophobicContact CD1-CB 4.12Å; Y88-K113 HydrophobicContact CD1-CD 4.35Å; Y88-K113 HydrophobicContact CE1-CB 4.39Å; Y88-K113 HydrophobicContact CE1-CD 4.06Å; Y88-F153 AromaticContact CD1-CE2 3.85Å; Y88-F153 HydrophobicContact CD1-CE2 3.85Å; Y88-F153 HydrophobicContact CD1-CZ 4.15Å; Y88-F153 HydrophobicContact CD2-CE2 4.2Å; Y88-F153 AromaticContact CD2-CZ 3.73Å; Y88-F153 HydrophobicContact CD2-CZ 3.73Å; Y88-F153 HydrophobicContact CE1-CE2 4.08Å; Y88-F153 HydrophobicContact CE2-CE2 4.42Å; Y88-F153 HydrophobicContact CE2-CZ 4.19Å; Y88-F153 AromaticContact CG-CE2 3.93Å; Y88-F153 HydrophobicContact CG-CE2 3.93Å; Y88-F153 AromaticContact CG-CZ 3.73Å; Y88-F153 HydrophobicContact CG-CZ 3.73Å; Y88-L157 HydrophobicContact CE2-CD1 3.85Å; Y88-L157 HydrophobicContact CE2-CD2 4.5Å; Y88-L157 VanDerWaalsContact OH-CD2 3.29Å; Y88-L157 WeakPolarHBondContact OH-CD2 3.08Å
89I98.9Very high98.3Very high0 Ų046.7 Ų46.70%023%0.231CC..EExtended strand (participates in β ladder)trans-115.4111.6163.1-67.3168000107.3L10 V12 I78 F83 F86 L100 A112 K113 I114 E115L10-I89 HydrophobicContact CB-CG1 4.19Å; L10-I89 HydrophobicContact CD2-CG1 4.28Å; L10-I89 CarbonylContact O-C 3.58Å; L10-I89 WeakPolarHBondContact O-CA 3.39Å; V12-I89 HydrophobicContact CB-CG2 4.36Å; V12-I89 HydrophobicContact CG2-CG2 3.64Å; I78-I89 HydrophobicContact CD1-CD1 4Å; F83-I89 HydrophobicContact CD1-CD1 3.6Å; F83-I89 HydrophobicContact CE1-CD1 3.89Å; F83-I89 HydrophobicContact CG-CD1 4.21Å; F86-I89 HydrophobicContact CB-CG1 4.5Å; I89-L100 HydrophobicContact CG2-CD1 3.72Å; I89-L100 HydrophobicContact CG2-CD2 4.13Å; I89-A112 HydrophobicContact CD1-CB 3.59Å; I89-A112 HydrophobicContact CG1-CB 3.8Å; I89-K113 PolarHBondContact N-O 3.31Å; I89-I114 HydrophobicContact CB-CG1 4.37Å; I89-I114 HydrophobicContact CG2-CG2 4.46Å; I89-I114 WeakPolarHBondContact O-CA 3.43Å; I89-E115 PolarHBondContact O-N 3.03Å
90L98.9Very high98.3Very high0 Ų044 Ų440%021%0.214CC..EExtended strand (participates in β ladder)trans-108.3116.3-177-57.1-176.1000109.9V9 L10 F11 V12 E115 L117 Y120 F153V9-L90 HydrophobicContact CG2-CD1 3.81Å; V9-L90 HydrophobicContact CG2-CG 3.95Å; L10-L90 PolarHBondContact O-N 3.39Å; F11-L90 CarbonylContact C-O 3.5Å; F11-L90 WeakPolarHBondContact CA-O 3.44Å; F11-L90 HydrophobicContact CD1-CB 4.09Å; F11-L90 HydrophobicContact CE1-CB 4.29Å; F11-L90 HydrophobicContact CE1-CD1 4.02Å; V12-L90 PolarHBondContact N-O 3.43Å; L90-E115 WeakPolarHBondContact CA-O 3.17Å; L90-E115 HydrophobicContact CD2-CB 4.03Å; L90-L117 HydrophobicContact CB-CB 4.3Å; L90-L117 HydrophobicContact CB-CD1 4.43Å; L90-L117 HydrophobicContact CD1-CD1 3.92Å; L90-Y120 HydrophobicContact CD2-CE2 4.05Å; L90-F153 HydrophobicContact CD1-CD1 4.07Å; L90-F153 HydrophobicContact CD1-CD2 4.11Å; L90-F153 HydrophobicContact CD1-CE1 4.07Å; L90-F153 HydrophobicContact CD1-CE2 4.08Å; L90-F153 HydrophobicContact CD1-CG 4.1Å; L90-F153 HydrophobicContact CD1-CZ 4.06Å
91C98.9Very high98.3Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-113.9165-175.2680000113.5V12 N96 L100 E115 L116 L117V12-C91 HydrophobicContact CB-CB 4.29Å; V12-C91 VanDerWaalsContact O-CA 3.24Å; V12-C91 WeakPolarHBondContact O-CA 3.47Å; C91-N96 HydrophobicContact CB-CB 3.74Å; C91-L100 HydrophobicContact CB-CD1 3.5Å; C91-L100 VanDerWaalsContact CB-CD1 3.5Å; C91-E115 PolarHBondContact N-O 3.06Å; C91-E115 PolarHBondContact SG-O 3.09Å; C91-L116 CarbonylContact O-C 3.6Å; C91-L116 WeakPolarHBondContact O-CA 3.32Å; C91-L117 PolarHBondContact O-N 2.97Å
92M98.8Very high98.4Very high0 Ų041.3 Ų41.30%020%0.204CC..SBendtrans-91.4-34.9-163.9-54.6-54.4158.800114F11 V12 C13 R19 A23 N96 L117 I128F11-M92 HydrophobicContact CB-CE 4.2Å; V12-M92 PolarHBondContact O-N 3.1Å; C13-M92 HydrophobicContact CB-CB 4.5Å; C13-M92 HydrophobicContact CB-CG 3.71Å; R19-M92 HydrophobicContact CB-CE 4.48Å; R19-M92 HydrophobicContact CB-CG 3.69Å; R19-M92 HydrophobicContact CB-SD 4.15Å; R19-M92 HydrophobicContact CG-CG 4.49Å; A23-M92 HydrophobicContact CB-CE 3.91Å; M92-N96 PolarHBondContact N-OD1 3.36Å; M92-L117 HydrophobicContact CE-CD2 4.4Å; M92-L117 HydrophobicContact SD-CD2 4.18Å; M92-I128 HydrophobicContact CB-CB 4.13Å; M92-I128 PolarHBondContact O-N 2.94Å; M92-I128 HydrophobicContact SD-CB 4.33Å; M92-I128 HydrophobicContact SD-CD1 3.93Å; M92-I128 HydrophobicContact SD-CG2 4.41Å
93D98.8Very high98.3Very high25 Ų2543.4 Ų43.413%0.13421%0.213CC..SBendtrans-143.2170-173.865.648.2000112.3R19 S95 N96 L97 L116 I127R19-D93 IonicContact CZ-OD2 3.67Å; R19-D93 IonicContact NH1-OD2 3.88Å; R19-D93 PolarHBondContact NH1-OD2 2.98Å; R19-D93 IonicContact NH2-OD2 3.63Å; R19-D93 PolarHBondContact NH2-OD2 2.8Å; D93-S95 PolarHBondContact O-N 2.76Å; D93-S95 WeakPolarHBondContact OD1-CA 3.3Å; D93-S95 VanDerWaalsContact OD1-CB 3.22Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 2.62Å; D93-N96 WeakPolarHBondContact O-CB 3.4Å; D93-N96 PolarHBondContact O-N 3.36Å; D93-N96 PolarHBondContact OD1-N 2.7Å; D93-N96 PolarHBondContact OD1-ND2 3.39Å; D93-N96 PolarHBondContact OD2-OD1 2.93Å; D93-L97 PolarHBondContact O-N 3.5Å; D93-L116 VanDerWaalsContact C-CD2 3.44Å; D93-L116 WeakPolarHBondContact O-CD2 3.36Å; D93-I127 HydrophobicContact CB-CG2 3.9Å
94E98.8Very high98.3Very high114 Ų11443.8 Ų43.853%0.53322%0.216SC..Hα-helixtrans-64.8-27.3-178.3-59.6-173.115500113.6L97 R98 I127E94-L97 PolarHBondContact O-N 2.73Å; E94-R98 VanDerWaalsContact O-CB 3.31Å; E94-R98 WeakPolarHBondContact O-CB 3.27Å; E94-R98 PolarHBondContact O-N 3.29Å; E94-I127 HydrophobicContact CG-CD1 3.82Å
95S98.7Very high98.2Very high72 Ų7248.7 Ų48.750%0.50324%0.236SC..Hα-helixtrans-67.9-45.6176.7-1720000109.8D93 L97 R98 D99D93-S95 PolarHBondContact O-N 2.76Å; D93-S95 WeakPolarHBondContact OD1-CA 3.3Å; D93-S95 VanDerWaalsContact OD1-CB 3.22Å; D93-S95 WeakPolarHBondContact OD1-CB 3.26Å; D93-S95 PolarHBondContact OD1-N 2.62Å; S95-L97 PolarHBondContact O-N 2.98Å; S95-R98 PolarHBondContact O-N 3.05Å; S95-D99 PolarHBondContact O-N 3.31Å
96N98.8Very high98.1Very high2 Ų250.8 Ų50.81%0.01124%0.242CC..Hα-helixtrans-60-46.5173.9-53.8164.2000110.6C13 C91 M92 D93 R98 D99 L100C13-N96 WeakPolarHBondContact CA-OD1 3.41Å; C91-N96 HydrophobicContact CB-CB 3.74Å; M92-N96 PolarHBondContact N-OD1 3.36Å; D93-N96 WeakPolarHBondContact O-CB 3.4Å; D93-N96 PolarHBondContact O-N 3.36Å; D93-N96 PolarHBondContact OD1-N 2.7Å; D93-N96 PolarHBondContact OD1-ND2 3.39Å; D93-N96 PolarHBondContact OD2-OD1 2.93Å; N96-R98 PolarHBondContact O-N 2.84Å; N96-D99 PolarHBondContact O-N 3.08Å; N96-L100 WeakPolarHBondContact O-CB 2.98Å; N96-L100 VanDerWaalsContact O-CG 3.25Å; N96-L100 WeakPolarHBondContact O-CG 3.08Å; N96-L100 PolarHBondContact O-N 3.49Å
97L98.8Very high97.9Very high41 Ų4152 Ų5222%0.21525%0.249CC..Hα-helixtrans-59.7-45.2179.5-176.763.1000111.8D93 E94 S95 L100 N101 I114 L116D93-L97 PolarHBondContact O-N 3.5Å; E94-L97 PolarHBondContact O-N 2.73Å; S95-L97 PolarHBondContact O-N 2.98Å; L97-L100 PolarHBondContact O-N 2.96Å; L97-N101 WeakPolarHBondContact O-CB 3.5Å; L97-N101 PolarHBondContact O-N 3.16Å; L97-N101 PolarHBondContact O-ND2 3.23Å; L97-I114 HydrophobicContact CD1-CG2 3.74Å; L97-L116 HydrophobicContact CB-CD2 4.15Å; L97-L116 HydrophobicContact CD2-CD1 4.4Å; L97-L116 HydrophobicContact CD2-CD2 4.46Å; L97-L116 HydrophobicContact CD2-CG 4.12Å
98R98.7Very high97.5Very high179 Ų17960.1 Ų60.168%0.67528%0.283SS*.Hα-helixtrans-61.4-44.7177.6-169.7-173.2-50.7-115.4-2.3111.7E94 S95 N96 N101 R102E94-R98 VanDerWaalsContact O-CB 3.31Å; E94-R98 WeakPolarHBondContact O-CB 3.27Å; E94-R98 PolarHBondContact O-N 3.29Å; S95-R98 PolarHBondContact O-N 3.05Å; N96-R98 PolarHBondContact O-N 2.84Å; R98-N101 PolarHBondContact O-N 3.45Å; R98-R102 WeakPolarHBondContact O-CB 3.4Å; R98-R102 PolarHBondContact O-N 3.03Å
99D98.5Very high97.2Very high40 Ų4064.2 Ų64.221%0.21431%0.307CS..Hα-helixtrans-66.3-41.4178.3-98.1-24.8000112.9T47 S95 N96 R102 K103T47-D99 HydrophobicContact CG2-CB 4.28Å; S95-D99 PolarHBondContact O-N 3.31Å; N96-D99 PolarHBondContact O-N 3.08Å; D99-R102 PolarHBondContact O-N 2.85Å; D99-R102 IonicContact OD1-CZ 3.92Å; D99-R102 IonicContact OD1-NE 3.44Å; D99-R102 PolarHBondContact OD1-NE 3.06Å; D99-R102 IonicContact OD1-NH2 2.62Å; D99-R102 PolarHBondContact OD1-NH2 3.1Å; D99-K103 WeakPolarHBondContact O-CG 3.46Å; D99-K103 PolarHBondContact O-N 3.47Å
100L98.6Very high96.9Very high0 Ų066.7 Ų66.70%032%0.324CS..Hα-helixtrans-63.5-44.8176.3-75.2168.6000111.5V12 T47 I78 F83 I89 C91 N96 L97 R102 K103 S104 I114V12-L100 HydrophobicContact CB-CD1 4.09Å; V12-L100 HydrophobicContact CG1-CD1 4.04Å; V12-L100 HydrophobicContact CG1-CD2 4.16Å; V12-L100 HydrophobicContact CG1-CG 4.39Å; V12-L100 HydrophobicContact CG2-CD1 4.5Å; V12-L100 HydrophobicContact CG2-CD2 4.48Å; T47-L100 HydrophobicContact CG2-CD2 4.35Å; T47-L100 HydrophobicContact CG2-CG 4.18Å; I78-L100 HydrophobicContact CD1-CD2 3.43Å; I78-L100 VanDerWaalsContact CD1-CD2 3.43Å; I78-L100 HydrophobicContact CG2-CD2 4.47Å; F83-L100 HydrophobicContact CE1-CD2 4.09Å; F83-L100 HydrophobicContact CZ-CD2 3.94Å; I89-L100 HydrophobicContact CG2-CD1 3.72Å; I89-L100 HydrophobicContact CG2-CD2 4.13Å; C91-L100 HydrophobicContact CB-CD1 3.5Å; C91-L100 VanDerWaalsContact CB-CD1 3.5Å; N96-L100 WeakPolarHBondContact O-CB 2.98Å; N96-L100 VanDerWaalsContact O-CG 3.25Å; N96-L100 WeakPolarHBondContact O-CG 3.08Å; N96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 2.96Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.06Å; L100-K103 PolarHBondContact O-N 3.42Å; L100-S104 WeakPolarHBondContact O-CB 3.36Å; L100-S104 PolarHBondContact O-N 2.79Å; L100-S104 PolarHBondContact O-OG 3.29Å; L100-I114 HydrophobicContact CB-CD1 4.44Å; L100-I114 HydrophobicContact CB-CG2 3.83Å; L100-I114 HydrophobicContact CD1-CG2 4.03Å
101N98.3Very high96.7Very high63 Ų6372.7 Ų72.734%0.33735%0.35SS..Hα-helixtrans-63.9-38.6175.5-76.7-41.3000112.4L97 R98 K103 S104 N105L97-N101 WeakPolarHBondContact O-CB 3.5Å; L97-N101 PolarHBondContact O-N 3.16Å; L97-N101 PolarHBondContact O-ND2 3.23Å; R98-N101 PolarHBondContact O-N 3.45Å; N101-K103 VanDerWaalsContact C-N 3.34Å; N101-K103 PolarHBondContact O-N 3.47Å; N101-S104 WeakPolarHBondContact CA-OG 3.48Å; N101-S104 PolarHBondContact O-N 3.33Å; N101-S104 PolarHBondContact O-OG 2.67Å; N101-N105 VanDerWaalsContact O-CG 3.26Å; N101-N105 PolarHBondContact O-N 2.84Å; N101-N105 PolarHBondContact O-ND2 3.4Å
102R98.2Very high96.7Very high139 Ų13973.1 Ų73.153%0.52535%0.354SS..Hα-helixtrans-62.2-41.9173.7-179.6179.362.7113.6-4.6111.8R98 D99 L100R98-R102 WeakPolarHBondContact O-CB 3.4Å; R98-R102 PolarHBondContact O-N 3.03Å; D99-R102 PolarHBondContact O-N 2.85Å; D99-R102 IonicContact OD1-CZ 3.92Å; D99-R102 IonicContact OD1-NE 3.44Å; D99-R102 PolarHBondContact OD1-NE 3.06Å; D99-R102 IonicContact OD1-NH2 2.62Å; D99-R102 PolarHBondContact OD1-NH2 3.1Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.06Å
103K97.6Very high96.6Very high49 Ų4977.6 Ų77.621%0.21337%0.373CS..Hα-helixtrans-71.3-39.7178.3-72.9169.9-177.1-82.90111.8T47 I78 F83 D99 L100 N101 N105 Q106T47-K103 WeakPolarHBondContact O-CE 3.32Å; T47-K103 PolarHBondContact O-NZ 2.9Å; I78-K103 HydrophobicContact CG2-CD 4.18Å; F83-K103 HydrophobicContact CE2-CB 4.07Å; F83-K103 HydrophobicContact CZ-CB 3.7Å; D99-K103 WeakPolarHBondContact O-CG 3.46Å; D99-K103 PolarHBondContact O-N 3.47Å; L100-K103 PolarHBondContact O-N 3.42Å; N101-K103 VanDerWaalsContact C-N 3.34Å; N101-K103 PolarHBondContact O-N 3.47Å; K103-N105 VanDerWaalsContact C-N 3.33Å; K103-N105 PolarHBondContact O-N 3.49Å; K103-Q106 WeakPolarHBondContact O-CB 3.29Å; K103-Q106 PolarHBondContact O-N 3.22Å; K103-Q106 VanDerWaalsContact O-N 3.08Å
104S97.1Very high96.6Very high12 Ų1277.7 Ų77.78%0.08437%0.374CS..Hα-helixtrans-64.7-36.2-179.869.60000112.5L100 N101 Q106 V107L100-S104 WeakPolarHBondContact O-CB 3.36Å; L100-S104 PolarHBondContact O-N 2.79Å; L100-S104 PolarHBondContact O-OG 3.29Å; N101-S104 WeakPolarHBondContact CA-OG 3.48Å; N101-S104 PolarHBondContact O-N 3.33Å; N101-S104 PolarHBondContact O-OG 2.67Å; S104-Q106 PolarHBondContact O-N 3.07Å; S104-V107 WeakPolarHBondContact O-CB 3.38Å; S104-V107 PolarHBondContact O-N 3.2Å
105N95.3Very high96.6Very high143 Ų14374.1 Ų74.177%0.76536%0.357SS*.THydrogen-bonded Turntrans-60.3-14.8173.9-73.1-22.3000113.9N101 K103N101-N105 VanDerWaalsContact O-CG 3.26Å; N101-N105 PolarHBondContact O-N 2.84Å; N101-N105 PolarHBondContact O-ND2 3.4Å; K103-N105 VanDerWaalsContact C-N 3.33Å; K103-N105 PolarHBondContact O-N 3.49Å
106Q93.9Very high96.6Very high107 Ų10771.5 Ų71.550%0.534%0.337SS..THydrogen-bonded Turntrans-94.6-2176.3-53.7178.410.400112.8R80 K103 S104R80-Q106 PolarHBondContact NH1-O 3.36Å; K103-Q106 WeakPolarHBondContact O-CB 3.29Å; K103-Q106 PolarHBondContact O-N 3.22Å; K103-Q106 VanDerWaalsContact O-N 3.08Å; S104-Q106 PolarHBondContact O-N 3.07Å
107V94Very high96.6Very high24 Ų2471.4 Ų71.415%0.14534%0.336CS..  trans-108.1124.1-178-177.60000108.9R80 F83 S104 N109R80-V107 HydrophobicContact CB-CG2 4.13Å; R80-V107 HydrophobicContact CG-CG2 4.13Å; F83-V107 HydrophobicContact CB-CG1 4.29Å; F83-V107 HydrophobicContact CB-CG2 4.34Å; F83-V107 HydrophobicContact CD2-CG2 4Å; F83-V107 HydrophobicContact CG-CG2 4.33Å; S104-V107 WeakPolarHBondContact O-CB 3.38Å; S104-V107 PolarHBondContact O-N 3.2Å; V107-N109 VanDerWaalsContact C-N 3.35Å; V107-N109 PolarHBondContact O-N 3.36Å
108K90Very high96.6Very high208 Ų20869.5 Ų69.590%0.90433%0.327SS*.THydrogen-bonded Turntrans-66.1-34.8-177.2-69.4-175.3177.4-178.20113.6
109N91.1Very high96.6Very high130 Ų13064 Ų6470%0.69532%0.316SS*.THydrogen-bonded Turntrans-119.755.5-172.5-60.6-17.9000110.7A84 V107 K111A84-N109 WeakPolarHBondContact CA-O 3.25Å; V107-N109 VanDerWaalsContact C-N 3.35Å; V107-N109 PolarHBondContact O-N 3.36Å; N109-K111 PolarHBondContact O-N 2.94Å; N109-K111 VanDerWaalsContact O-N 3.12Å
110C93.7Very high96.6Very high53 Ų5363 Ų6336%0.35831%0.31SS..  trans-69.8107.2175.2-172.30000109.6
111K94.7Very high96.6Very high126 Ų12663.4 Ų63.455%0.54831%0.312SS..  trans-89.7-35.8174.7-179.7-172.7170.6-161.70111.2F83 D87 N109 K113F83-K111 PolarHBondContact O-N 3.01Å; D87-K111 WeakPolarHBondContact OD1-CE 3.36Å; D87-K111 IonicContact OD1-NZ 2.74Å; D87-K111 PolarHBondContact OD1-NZ 2.96Å; N109-K111 PolarHBondContact O-N 2.94Å; N109-K111 VanDerWaalsContact O-N 3.12Å; K111-K113 PolarHBondContact O-N 3.48Å
112A97.4Very high96.7Very high9 Ų964.9 Ų64.97%0.07433%0.325CS..PPolyproline II helixtrans-61.9133.2-171.100000112.6F83 F86 D87 I89F83-A112 PolarHBondContact O-N 2.65Å; F86-A112 WeakPolarHBondContact O-CA 3.42Å; F86-A112 VanDerWaalsContact O-CB 3.32Å; F86-A112 WeakPolarHBondContact O-CB 3.47Å; F86-A112 PolarHBondContact O-N 3.25Å; D87-A112 WeakPolarHBondContact O-CA 3.24Å; I89-A112 HydrophobicContact CD1-CB 3.59Å; I89-A112 HydrophobicContact CG1-CB 3.8Å
113K98.3Very high96.7Very high94 Ų9464 Ų6441%0.40933%0.326SS..EExtended strand (participates in β ladder)trans-79.7116.1165-165.6-175.4-179.6-146.50108.9D87 Y88 I89 K111 E115D87-K113 PolarHBondContact O-N 3.35Å; Y88-K113 WeakPolarHBondContact CA-O 3.43Å; Y88-K113 HydrophobicContact CD1-CB 4.12Å; Y88-K113 HydrophobicContact CD1-CD 4.35Å; Y88-K113 HydrophobicContact CE1-CB 4.39Å; Y88-K113 HydrophobicContact CE1-CD 4.06Å; I89-K113 PolarHBondContact N-O 3.31Å; K111-K113 PolarHBondContact O-N 3.48Å; K113-E115 HydrophobicContact CD-CG 4.37Å; K113-E115 VanDerWaalsContact CD-OE2 3.32Å; K113-E115 WeakPolarHBondContact CD-OE2 3.24Å; K113-E115 WeakPolarHBondContact CE-OE1 3.18Å; K113-E115 VanDerWaalsContact CE-OE2 3.24Å; K113-E115 WeakPolarHBondContact CE-OE2 3.5Å; K113-E115 HydrophobicContact CG-CG 4.09Å; K113-E115 IonicContact NZ-OE1 3.5Å; K113-E115 PolarHBondContact NZ-OE1 3.48Å; K113-E115 IonicContact NZ-OE2 3.68Å; K113-E115 PolarHBondContact NZ-OE2 3.25Å
114I98.7Very high96.7Very high27 Ų2770.6 Ų70.614%0.13836%0.355CS..EExtended strand (participates in β ladder)trans-98.6116.6-176.5-49.6175.2000109.1F83 I89 L97 L100F83-I114 HydrophobicContact CD1-CD1 4.05Å; F83-I114 HydrophobicContact CE1-CD1 3.9Å; I89-I114 HydrophobicContact CB-CG1 4.37Å; I89-I114 HydrophobicContact CG2-CG2 4.46Å; I89-I114 WeakPolarHBondContact O-CA 3.43Å; L97-I114 HydrophobicContact CD1-CG2 3.74Å; L100-I114 HydrophobicContact CB-CD1 4.44Å; L100-I114 HydrophobicContact CB-CG2 3.83Å; L100-I114 HydrophobicContact CD1-CG2 4.03Å
115E98.8Very high96.7Very high38 Ų3873.8 Ų73.818%0.17837%0.369CS..EExtended strand (participates in β ladder)trans-140.2165.1-175.8-62.2-177113.200111.7I89 L90 C91 K113 Y120I89-E115 PolarHBondContact O-N 3.03Å; L90-E115 WeakPolarHBondContact CA-O 3.17Å; L90-E115 HydrophobicContact CD2-CB 4.03Å; C91-E115 PolarHBondContact N-O 3.06Å; C91-E115 PolarHBondContact SG-O 3.09Å; K113-E115 HydrophobicContact CD-CG 4.37Å; K113-E115 VanDerWaalsContact CD-OE2 3.32Å; K113-E115 WeakPolarHBondContact CD-OE2 3.24Å; K113-E115 WeakPolarHBondContact CE-OE1 3.18Å; K113-E115 VanDerWaalsContact CE-OE2 3.24Å; K113-E115 WeakPolarHBondContact CE-OE2 3.5Å; K113-E115 HydrophobicContact CG-CG 4.09Å; K113-E115 IonicContact NZ-OE1 3.5Å; K113-E115 PolarHBondContact NZ-OE1 3.48Å; K113-E115 IonicContact NZ-OE2 3.68Å; K113-E115 PolarHBondContact NZ-OE2 3.25Å; E115-Y120 PolarHBondContact OE2-OH 3.35Å
116L98.9Very high96.9Very high17 Ų1770.8 Ų70.89%0.08935%0.352CS..EExtended strand (participates in β ladder)trans-79.2132.9167.2-68.1169.4000109.1C91 D93 L97 G118 S119 L126 I127C91-L116 CarbonylContact O-C 3.6Å; C91-L116 WeakPolarHBondContact O-CA 3.32Å; D93-L116 VanDerWaalsContact C-CD2 3.44Å; D93-L116 WeakPolarHBondContact O-CD2 3.36Å; L97-L116 HydrophobicContact CB-CD2 4.15Å; L97-L116 HydrophobicContact CD2-CD1 4.4Å; L97-L116 HydrophobicContact CD2-CD2 4.46Å; L97-L116 HydrophobicContact CD2-CG 4.12Å; L116-G118 PolarHBondContact O-N 3.41Å; L116-S119 WeakPolarHBondContact O-CB 3.34Å; L116-S119 PolarHBondContact O-N 3.4Å; L116-S119 PolarHBondContact O-OG 3.04Å; L116-L126 HydrophobicContact CB-CD1 4.36Å; L116-L126 HydrophobicContact CD1-CD1 3.92Å; L116-L126 HydrophobicContact CD1-CD2 4.19Å; L116-L126 HydrophobicContact CD1-CG 3.85Å; L116-I127 HydrophobicContact CD1-CD1 4.22Å
117L98.9Very high97.1Very high0 Ų067.5 Ų67.50%034%0.338CS..G310 helixtrans-58.8-40.3174.5179.357.3000110.8F11 A23 L90 C91 M92 S119 Y120 I128 C149F11-L117 HydrophobicContact CD1-CD2 4.26Å; F11-L117 HydrophobicContact CE1-CD1 4.18Å; F11-L117 HydrophobicContact CE1-CD2 4.26Å; A23-L117 HydrophobicContact CB-CD2 3.95Å; L90-L117 HydrophobicContact CB-CB 4.3Å; L90-L117 HydrophobicContact CB-CD1 4.43Å; L90-L117 HydrophobicContact CD1-CD1 3.92Å; C91-L117 PolarHBondContact O-N 2.97Å; M92-L117 HydrophobicContact CE-CD2 4.4Å; M92-L117 HydrophobicContact SD-CD2 4.18Å; L117-S119 PolarHBondContact O-N 3.27Å; L117-S119 VanDerWaalsContact O-N 3.1Å; L117-Y120 WeakPolarHBondContact O-CB 3.41Å; L117-Y120 PolarHBondContact O-N 3.3Å; L117-I128 HydrophobicContact CB-CD1 3.99Å; L117-I128 HydrophobicContact CD2-CD1 3.67Å; L117-I128 HydrophobicContact CG-CD1 3.89Å; L117-C149 HydrophobicContact CD1-CB 3.54Å; L117-C149 HydrophobicContact CD2-CB 4.35Å; L117-C149 HydrophobicContact CG-CB 3.58Å; L117-C149 WeakPolarHBondContact O-CB 3.31Å
118G98.8Very high97.4Very high2 Ų266.4 Ų66.42%0.02133%0.331CS..G310 helixtrans-64.1-11.8177.500000114.9L116 Y120 D121 Q125 L126L116-G118 PolarHBondContact O-N 3.41Å; G118-Y120 PolarHBondContact O-N 2.88Å; G118-D121 WeakPolarHBondContact O-CB 3.34Å; G118-D121 PolarHBondContact O-N 3.25Å; G118-D121 VanDerWaalsContact O-N 3.07Å; G118-Q125 WeakPolarHBondContact CA-O 3.38Å; G118-L126 WeakPolarHBondContact CA-O 3.46Å
119S98.7Very high97.8Very high63 Ų6362.7 Ų62.744%0.44132%0.317SS..G310 helixtrans-67.5-14.6170.974.50000112.9L116 L117L116-S119 WeakPolarHBondContact O-CB 3.34Å; L116-S119 PolarHBondContact O-N 3.4Å; L116-S119 PolarHBondContact O-OG 3.04Å; L117-S119 PolarHBondContact O-N 3.27Å; L117-S119 VanDerWaalsContact O-N 3.1Å
120Y98.7Very high98.1Very high20 Ų2059.7 Ų59.78%0.07830%0.301CS..G310 helixtrans-94.6-2.3174.6-65-90.2000112.8L90 E115 L117 G118 P122 A152 F153 K156L90-Y120 HydrophobicContact CD2-CE2 4.05Å; E115-Y120 PolarHBondContact OE2-OH 3.35Å; L117-Y120 WeakPolarHBondContact O-CB 3.41Å; L117-Y120 PolarHBondContact O-N 3.3Å; G118-Y120 PolarHBondContact O-N 2.88Å; Y120-P122 VanDerWaalsContact O-CD 3.24Å; Y120-P122 WeakPolarHBondContact O-CD 3.36Å; Y120-A152 WeakPolarHBondContact O-CB 3.42Å; Y120-F153 HydrophobicContact CD1-CB 3.92Å; Y120-F153 HydrophobicContact CD1-CD2 4.1Å; Y120-F153 HydrophobicContact CE1-CB 4.33Å; Y120-F153 AromaticContact CE1-CD2 3.64Å; Y120-F153 HydrophobicContact CE1-CD2 3.64Å; Y120-F153 HydrophobicContact CE1-CG 4.47Å; Y120-F153 HydrophobicContact CE2-CD2 4.18Å; Y120-F153 HydrophobicContact CG-CB 4.1Å; Y120-F153 AromaticContact CZ-CD2 3.7Å; Y120-K156 HydrophobicContact CD1-CD 4.39Å; Y120-K156 HydrophobicContact CE1-CD 3.77Å
121D98.7Very high98.3Very high8 Ų857.4 Ų57.44%0.04329%0.285CS..  trans-71.7118-179.2-169.94.4000111G118 Q123 K124 Q125 R148 C149G118-D121 WeakPolarHBondContact O-CB 3.34Å; G118-D121 PolarHBondContact O-N 3.25Å; G118-D121 VanDerWaalsContact O-N 3.07Å; D121-Q123 PolarHBondContact O-N 2.96Å; D121-Q123 VanDerWaalsContact O-N 3.14Å; D121-Q123 PolarHBondContact OD1-N 3.34Å; D121-K124 PolarHBondContact O-N 3.39Å; D121-Q125 VanDerWaalsContact OD2-CB 3.23Å; D121-Q125 WeakPolarHBondContact OD2-CB 3.37Å; D121-Q125 PolarHBondContact OD2-N 2.94Å; D121-R148 IonicContact OD1-CZ 2.7Å; D121-R148 IonicContact OD1-NE 3.51Å; D121-R148 PolarHBondContact OD1-NE 2.78Å; D121-R148 IonicContact OD1-NH2 3.67Å; D121-R148 IonicContact OD2-CZ 2.62Å; D121-R148 IonicContact OD2-NE 3.81Å; D121-R148 IonicContact OD2-NH2 3.66Å; D121-R148 PolarHBondContact OD2-NH2 3.41Å; D121-C149 VanDerWaalsContact CB-SG 3.59Å
122P98.4Very high98.4Very high94 Ų9456 Ų5661%0.6128%0.277SS*.THydrogen-bonded Turntrans-60.1-22.6172.225-35.5000113Y120 K124Y120-P122 VanDerWaalsContact O-CD 3.24Å; Y120-P122 WeakPolarHBondContact O-CD 3.36Å; P122-K124 VanDerWaalsContact C-N 3.29Å
123Q98.5Very high98.4Very high120 Ų12066.3 Ų66.356%0.56132%0.316SS*.THydrogen-bonded Turntrans-85.91.8175.1-56.9-173.59.500113.5D121 Q125 R148D121-Q123 PolarHBondContact O-N 2.96Å; D121-Q123 VanDerWaalsContact O-N 3.14Å; D121-Q123 PolarHBondContact OD1-N 3.34Å; Q123-Q125 VanDerWaalsContact C-N 3.25Å; Q123-Q125 PolarHBondContact O-N 2.94Å; Q123-R148 VanDerWaalsContact NE2-CD 3.32Å
124K98.1Very high98.3Very high187 Ų18763.1 Ų63.181%0.81331%0.309SS*.  trans61.127.3176.6-50.8-179-179.6-179.30114.2D121 P122 L126D121-K124 PolarHBondContact O-N 3.39Å; P122-K124 VanDerWaalsContact C-N 3.29Å; K124-L126 PolarHBondContact O-N 3.07Å
125Q98.3Very high98.3Very high80 Ų8066 Ų6637%0.37433%0.325SS..  trans-8394.3168.7-54.1-175.6-32.500108.7G118 D121 Q123 I127G118-Q125 WeakPolarHBondContact CA-O 3.38Å; D121-Q125 VanDerWaalsContact OD2-CB 3.23Å; D121-Q125 WeakPolarHBondContact OD2-CB 3.37Å; D121-Q125 PolarHBondContact OD2-N 2.94Å; Q123-Q125 VanDerWaalsContact C-N 3.25Å; Q123-Q125 PolarHBondContact O-N 2.94Å; Q125-I127 VanDerWaalsContact C-N 3.34Å; Q125-I127 PolarHBondContact O-N 3.29Å
126L98.6Very high98.2Very high79 Ų7968.2 Ų68.241%0.41434%0.338SS..  trans-68.7-31.8-170.9-174.362.3000113.4L116 G118 K124L116-L126 HydrophobicContact CB-CD1 4.36Å; L116-L126 HydrophobicContact CD1-CD1 3.92Å; L116-L126 HydrophobicContact CD1-CD2 4.19Å; L116-L126 HydrophobicContact CD1-CG 3.85Å; G118-L126 WeakPolarHBondContact CA-O 3.46Å; K124-L126 PolarHBondContact O-N 3.07Å
127I98.8Very high98.2Very high39 Ų3970.3 Ų70.320%0.235%0.354CS..  trans-109132.8-174.5-53.4-57.3000110.1D93 E94 L116 Q125 E129 Q145D93-I127 HydrophobicContact CB-CG2 3.9Å; E94-I127 HydrophobicContact CG-CD1 3.82Å; L116-I127 HydrophobicContact CD1-CD1 4.22Å; Q125-I127 VanDerWaalsContact C-N 3.34Å; Q125-I127 PolarHBondContact O-N 3.29Å; I127-E129 WeakPolarHBondContact CG2-OE1 3.26Å; I127-Q145 PolarHBondContact O-NE2 3.4Å
128I98.8Very high98.2Very high0 Ų073 Ų730%037%0.369CS..  trans-100.195.1170-57.4177.2000107.3R19 M92 L117 V142 Q145R19-I128 WeakPolarHBondContact CD-O 3.45Å; R19-I128 HydrophobicContact CG-CG2 4.38Å; R19-I128 PolarHBondContact NH1-O 2.82Å; M92-I128 HydrophobicContact CB-CB 4.13Å; M92-I128 PolarHBondContact O-N 2.94Å; M92-I128 HydrophobicContact SD-CB 4.33Å; M92-I128 HydrophobicContact SD-CD1 3.93Å; M92-I128 HydrophobicContact SD-CG2 4.41Å; L117-I128 HydrophobicContact CB-CD1 3.99Å; L117-I128 HydrophobicContact CD2-CD1 3.67Å; L117-I128 HydrophobicContact CG-CD1 3.89Å; I128-V142 HydrophobicContact CG2-CB 4.33Å; I128-V142 HydrophobicContact CG2-CG1 3.93Å; I128-V142 HydrophobicContact CG2-CG2 3.99Å; I128-Q145 HydrophobicContact CD1-CB 4.38Å; I128-Q145 HydrophobicContact CG1-CB 4.19Å
129E98.7Very high98.1Very high131 Ų13173 Ų7361%0.61237%0.368SS*.  trans-59.2146.9-173.5-64.1-61.8162.900112.4R19 I127 P131R19-E129 WeakPolarHBondContact CD-O 3.46Å; I127-E129 WeakPolarHBondContact CG2-OE1 3.26Å; E129-P131 VanDerWaalsContact O-CD 3.27Å; E129-P131 WeakPolarHBondContact O-CD 3.3Å
130D98.3Very high98.1Very high67 Ų6772.6 Ų72.636%0.35836%0.359SS..  trans-73114.8-179.9-159.3-32.7000111.6R19 Y132R19-D130 IonicContact CZ-OD2 2.79Å; R19-D130 IonicContact NE-OD1 3.4Å; R19-D130 IonicContact NE-OD2 3.65Å; R19-D130 IonicContact NH2-OD2 3.36Å; R19-D130 PolarHBondContact NH2-OD2 3.48Å; D130-Y132 PolarHBondContact O-N 3.2Å; D130-Y132 VanDerWaalsContact OD1-CB 3.24Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.46Å; D130-Y132 PolarHBondContact OD1-N 3.23Å
131P98.3Very high98.1Very high4 Ų475.3 Ų75.33%0.02638%0.378CS..  trans-81.91.6-177.637.1-38.3000112.7C18 R19 E129 Y133 G134 D138 F139 V142C18-P131 HydrophobicContact CB-CG 3.96Å; R19-P131 HydrophobicContact CG-CG 4.34Å; E129-P131 VanDerWaalsContact O-CD 3.27Å; E129-P131 WeakPolarHBondContact O-CD 3.3Å; P131-Y133 VanDerWaalsContact C-N 3.34Å; P131-Y133 PolarHBondContact O-N 2.83Å; P131-G134 WeakPolarHBondContact O-CA 3.5Å; P131-G134 PolarHBondContact O-N 2.86Å; P131-D138 HydrophobicContact CB-CB 3.99Å; P131-F139 HydrophobicContact CB-CD1 4.31Å; P131-F139 HydrophobicContact CB-CD2 3.89Å; P131-F139 HydrophobicContact CB-CE1 4.3Å; P131-F139 HydrophobicContact CB-CE2 3.84Å; P131-F139 HydrophobicContact CB-CG 4.13Å; P131-F139 HydrophobicContact CB-CZ 4.06Å; P131-F139 HydrophobicContact CG-CD1 4.01Å; P131-F139 HydrophobicContact CG-CD2 4.41Å; P131-F139 HydrophobicContact CG-CE1 3.78Å; P131-F139 HydrophobicContact CG-CE2 4.18Å; P131-F139 HydrophobicContact CG-CG 4.33Å; P131-F139 HydrophobicContact CG-CZ 3.87Å; P131-V142 HydrophobicContact CB-CG2 4.27Å; P131-V142 HydrophobicContact CG-CG2 4.07Å
132Y97.1Very high98.2Very high98 Ų9875.1 Ų75.138%0.38438%0.377SS..THydrogen-bonded Turntrans-55.9-43.5-169.8-173.9-99.8000114I17 R59 D130 G134I17-Y132 HydrophobicContact CD1-CE2 4.29Å; R59-Y132 PolarHBondContact NH1-O 3.06Å; R59-Y132 PolarHBondContact NH2-O 3.05Å; R59-Y132 VanDerWaalsContact NH2-O 3.08Å; D130-Y132 PolarHBondContact O-N 3.2Å; D130-Y132 VanDerWaalsContact OD1-CB 3.24Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.46Å; D130-Y132 PolarHBondContact OD1-N 3.23Å; Y132-G134 VanDerWaalsContact C-N 3.34Å
133Y96.4Very high98.2Very high224 Ų22471.6 Ų71.688%0.87835%0.351SS*.THydrogen-bonded Turntrans-91.73.6175.3-64.2-72.3000113.6P131P131-Y133 VanDerWaalsContact C-N 3.34Å; P131-Y133 PolarHBondContact O-N 2.83Å
134G97Very high98.2Very high27 Ų2769.1 Ų69.128%0.27834%0.34SS..SBendtrans-88.7-163.6177.200000113.1R59 P131 Y132 D138R59-G134 PolarHBondContact NH1-O 3.02Å; P131-G134 WeakPolarHBondContact O-CA 3.5Å; P131-G134 PolarHBondContact O-N 2.86Å; Y132-G134 VanDerWaalsContact C-N 3.34Å; G134-D138 WeakPolarHBondContact CA-OD2 3.36Å
135N97.5Very high98.2Very high88 Ų8860.8 Ų60.847%0.47130%0.304SS..  trans-122.3-177.5179.776.383.2000111.2S137 D138 F139N135-S137 PolarHBondContact ND2-OG 3.41Å; N135-S137 PolarHBondContact O-N 3.1Å; N135-S137 VanDerWaalsContact O-N 3.12Å; N135-S137 WeakPolarHBondContact OD1-CB 3.43Å; N135-S137 PolarHBondContact OD1-N 3.28Å; N135-S137 PolarHBondContact OD1-OG 2.76Å; N135-D138 PolarHBondContact N-OD2 3.32Å; N135-D138 PolarHBondContact ND2-OD2 2.94Å; N135-D138 VanDerWaalsContact ND2-OD2 3.15Å; N135-D138 WeakPolarHBondContact O-CB 3.38Å; N135-D138 PolarHBondContact O-N 3.23Å; N135-F139 PolarHBondContact O-N 3.33Å
136D97.1Very high98.3Very high85 Ų8557 Ų5746%0.45529%0.286SS..Hα-helixtrans-53.7-32.2-178.5-75.66.9000113.9D138 F139 E140D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 3.5Å; D136-F139 PolarHBondContact O-N 3.36Å; D136-E140 PolarHBondContact O-N 2.85Å; D136-E140 VanDerWaalsContact O-N 3.15Å
137S98.1Very high98.3Very high60 Ų6055.6 Ų55.642%0.4228%0.279SS..Hα-helixtrans-65-33.9176.368.50000112.5N135 E140 V141N135-S137 PolarHBondContact ND2-OG 3.41Å; N135-S137 PolarHBondContact O-N 3.1Å; N135-S137 VanDerWaalsContact O-N 3.12Å; N135-S137 WeakPolarHBondContact OD1-CB 3.43Å; N135-S137 PolarHBondContact OD1-N 3.28Å; N135-S137 PolarHBondContact OD1-OG 2.76Å; S137-E140 WeakPolarHBondContact O-CB 3.24Å; S137-E140 PolarHBondContact O-N 3.31Å; S137-V141 WeakPolarHBondContact O-CG2 3.41Å; S137-V141 PolarHBondContact O-N 3.23Å
138D98.6Very high98.3Very high58 Ų5855.9 Ų55.931%0.3128%0.278SS..Hα-helixtrans-72.3-36-178.2-55.9-46.1000110.2P131 G134 N135 D136 E140 V141 V142P131-D138 HydrophobicContact CB-CB 3.99Å; G134-D138 WeakPolarHBondContact CA-OD2 3.36Å; N135-D138 PolarHBondContact N-OD2 3.32Å; N135-D138 PolarHBondContact ND2-OD2 2.94Å; N135-D138 VanDerWaalsContact ND2-OD2 3.15Å; N135-D138 WeakPolarHBondContact O-CB 3.38Å; N135-D138 PolarHBondContact O-N 3.23Å; D136-D138 VanDerWaalsContact C-N 3.29Å; D136-D138 PolarHBondContact O-N 3.5Å; D138-E140 VanDerWaalsContact C-N 3.34Å; D138-V141 PolarHBondContact O-N 2.71Å; D138-V142 WeakPolarHBondContact O-CG2 3.34Å; D138-V142 PolarHBondContact O-N 2.95Å
139F98.6Very high98.3Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-64.3-38170.2-76.9-90.9000112.4C18 I22 D57 R59 G60 C63 P131 N135 D136 V142 Y143C18-F139 HydrophobicContact CB-CE1 4.11Å; I22-F139 HydrophobicContact CD1-CD1 4.1Å; D57-F139 HydrophobicContact CB-CE1 4.48Å; R59-F139 HydrophobicContact CB-CD1 4.42Å; R59-F139 HydrophobicContact CB-CD2 3.83Å; R59-F139 HydrophobicContact CB-CE1 4.17Å; R59-F139 HydrophobicContact CB-CE2 3.58Å; R59-F139 HydrophobicContact CB-CG 4.25Å; R59-F139 HydrophobicContact CB-CZ 3.75Å; R59-F139 HydrophobicContact CG-CE2 4.31Å; G60-F139 VanDerWaalsContact CA-CD1 3.48Å; C63-F139 HydrophobicContact CB-CB 4.18Å; P131-F139 HydrophobicContact CB-CD1 4.31Å; P131-F139 HydrophobicContact CB-CD2 3.89Å; P131-F139 HydrophobicContact CB-CE1 4.3Å; P131-F139 HydrophobicContact CB-CE2 3.84Å; P131-F139 HydrophobicContact CB-CG 4.13Å; P131-F139 HydrophobicContact CB-CZ 4.06Å; P131-F139 HydrophobicContact CG-CD1 4.01Å; P131-F139 HydrophobicContact CG-CD2 4.41Å; P131-F139 HydrophobicContact CG-CE1 3.78Å; P131-F139 HydrophobicContact CG-CE2 4.18Å; P131-F139 HydrophobicContact CG-CG 4.33Å; P131-F139 HydrophobicContact CG-CZ 3.87Å; N135-F139 PolarHBondContact O-N 3.33Å; D136-F139 PolarHBondContact O-N 3.36Å; F139-V142 PolarHBondContact O-N 3.17Å; F139-Y143 PolarHBondContact O-N 3.45Å
140E98.7Very high98.3Very high56 Ų5649.7 Ų49.726%0.26225%0.248SC..Hα-helixtrans-64.1-43174.2-178.260.1-154.900111.6H67 D136 S137 D138 V142 Y143 Q144H67-E140 IonicContact CD2-OE2 2.79Å; H67-E140 IonicContact CE1-OE1 2.81Å; H67-E140 PolarHBondContact CE1-OE1 3.37Å; H67-E140 IonicContact CE1-OE2 3.53Å; H67-E140 IonicContact NE2-OE1 2.83Å; H67-E140 PolarHBondContact NE2-OE1 3.5Å; H67-E140 IonicContact NE2-OE2 2.64Å; H67-E140 PolarHBondContact NE2-OE2 2.62Å; D136-E140 PolarHBondContact O-N 2.85Å; D136-E140 VanDerWaalsContact O-N 3.15Å; S137-E140 WeakPolarHBondContact O-CB 3.24Å; S137-E140 PolarHBondContact O-N 3.31Å; D138-E140 VanDerWaalsContact C-N 3.34Å; E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 2.86Å; E140-Y143 PolarHBondContact O-N 2.74Å; E140-Q144 HydrophobicContact CG-CG 4.48Å; E140-Q144 VanDerWaalsContact O-CG 3.3Å; E140-Q144 WeakPolarHBondContact O-CG 3.22Å; E140-Q144 PolarHBondContact O-N 3.01Å; E140-Q144 PolarHBondContact OE1-NE2 3.44Å
141V98.8Very high98.3Very high76 Ų7651.5 Ų51.546%0.46125%0.253SS..Hα-helixtrans-59.1-45.6175.1170.90000110.9S137 D138 Y143 Q144 Q145S137-V141 WeakPolarHBondContact O-CG2 3.41Å; S137-V141 PolarHBondContact O-N 3.23Å; D138-V141 PolarHBondContact O-N 2.71Å; V141-Y143 PolarHBondContact O-N 2.81Å; V141-Q144 PolarHBondContact O-N 3.07Å; V141-Q145 WeakPolarHBondContact O-CG 3.27Å; V141-Q145 PolarHBondContact O-N 3.22Å
142V98.8Very high98.3Very high4 Ų452.6 Ų52.62%0.02426%0.262CS..Hα-helixtrans-58.8-47.6175.4168.70000111.1R19 I22 I128 P131 D138 F139 E140 Q144 Q145 C146R19-V142 HydrophobicContact CB-CG1 4.38Å; R19-V142 HydrophobicContact CG-CG1 4.04Å; R19-V142 HydrophobicContact CG-CG2 4.36Å; I22-V142 HydrophobicContact CD1-CG1 4.09Å; I22-V142 HydrophobicContact CG2-CG1 4.37Å; I128-V142 HydrophobicContact CG2-CB 4.33Å; I128-V142 HydrophobicContact CG2-CG1 3.93Å; I128-V142 HydrophobicContact CG2-CG2 3.99Å; P131-V142 HydrophobicContact CB-CG2 4.27Å; P131-V142 HydrophobicContact CG-CG2 4.07Å; D138-V142 WeakPolarHBondContact O-CG2 3.34Å; D138-V142 PolarHBondContact O-N 2.95Å; F139-V142 PolarHBondContact O-N 3.17Å; E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 2.86Å; V142-Q144 PolarHBondContact O-N 2.78Å; V142-Q145 PolarHBondContact O-N 3.23Å; V142-C146 WeakPolarHBondContact O-CB 3.44Å; V142-C146 PolarHBondContact O-N 3.45Å; V142-C146 PolarHBondContact O-SG 3.26Å
143Y98.9Very high98.4Very high20 Ų2047.9 Ų47.98%0.07824%0.244CC..Hα-helixtrans-57-49176.5163-101.3000111.9V26 M64 H67 I69 F139 E140 V141 Q145 C146 L147V26-Y143 HydrophobicContact CG2-CD2 3.82Å; V26-Y143 HydrophobicContact CG2-CE2 3.85Å; M64-Y143 HydrophobicContact SD-CD2 3.63Å; M64-Y143 HydrophobicContact SD-CE2 4.23Å; H67-Y143 HydrophobicContact CB-CE1 4.35Å; H67-Y143 HydrophobicContact CB-CE2 4.08Å; H67-Y143 AromaticContact CD2-CD1 3.52Å; H67-Y143 AromaticContact CD2-CE1 3.38Å; H67-Y143 WeakPolarHBondContact CD2-CE1 3.31Å; H67-Y143 AromaticContact CD2-CE2 3.97Å; H67-Y143 AromaticContact CD2-CG 3.87Å; H67-Y143 AromaticContact CD2-CZ 3.6Å; H67-Y143 AromaticContact CE1-CD1 3.71Å; H67-Y143 AromaticContact CE1-CE1 3.23Å; H67-Y143 WeakPolarHBondContact CE1-CE1 3.11Å; H67-Y143 AromaticContact CE1-CZ 3.94Å; H67-Y143 AromaticContact CG-CE1 3.45Å; H67-Y143 VanDerWaalsContact CG-CE1 3.45Å; H67-Y143 AromaticContact CG-CE2 3.96Å; H67-Y143 AromaticContact CG-CZ 3.35Å; H67-Y143 AromaticContact ND1-CE1 3.37Å; H67-Y143 WeakPolarHBondContact ND1-CE1 3.41Å; H67-Y143 AromaticContact ND1-CZ 3.6Å; H67-Y143 PolarHBondContact ND1-OH 3.14Å; H67-Y143 AromaticContact NE2-CD1 3.26Å; H67-Y143 VanDerWaalsContact NE2-CD1 3.26Å; H67-Y143 WeakPolarHBondContact NE2-CD1 3.25Å; H67-Y143 AromaticContact NE2-CE1 3.24Å; H67-Y143 WeakPolarHBondContact NE2-CE1 3.35Å; H67-Y143 AromaticContact NE2-CG 4Å; H67-Y143 AromaticContact NE2-CZ 3.96Å; I69-Y143 HydrophobicContact CD1-CE2 3.95Å; F139-Y143 PolarHBondContact O-N 3.45Å; E140-Y143 PolarHBondContact O-N 2.74Å; V141-Y143 PolarHBondContact O-N 2.81Å; Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 PolarHBondContact O-N 3.21Å; Y143-C146 PolarHBondContact O-N 2.97Å; Y143-L147 HydrophobicContact CE1-CD2 4.45Å; Y143-L147 WeakPolarHBondContact O-CB 3.23Å; Y143-L147 PolarHBondContact O-N 2.91Å
144Q98.9Very high98.4Very high69 Ų6937.2 Ų37.232%0.32220%0.202SC..Hα-helixtrans-62.7-40-179.3-67.8-64.5-22.900111.8E140 V141 V142 R148E140-Q144 HydrophobicContact CG-CG 4.48Å; E140-Q144 VanDerWaalsContact O-CG 3.3Å; E140-Q144 WeakPolarHBondContact O-CG 3.22Å; E140-Q144 PolarHBondContact O-N 3.01Å; E140-Q144 PolarHBondContact OE1-NE2 3.44Å; V141-Q144 PolarHBondContact O-N 3.07Å; V142-Q144 PolarHBondContact O-N 2.78Å; Q144-R148 WeakPolarHBondContact O-CG 3.44Å; Q144-R148 PolarHBondContact O-N 2.93Å; Q144-R148 VanDerWaalsContact O-N 3.17Å; Q144-R148 PolarHBondContact O-NH1 2.93Å
145Q98.9Very high98.4Very high11 Ų1140.2 Ų40.25%0.05121%0.209CC..Hα-helixtrans-64.4-48.3173.5-76.4-179.3-28.400111.5I127 I128 V141 V142 Y143 L147 R148 C149I127-Q145 PolarHBondContact O-NE2 3.4Å; I128-Q145 HydrophobicContact CD1-CB 4.38Å; I128-Q145 HydrophobicContact CG1-CB 4.19Å; V141-Q145 WeakPolarHBondContact O-CG 3.27Å; V141-Q145 PolarHBondContact O-N 3.22Å; V142-Q145 PolarHBondContact O-N 3.23Å; Y143-Q145 VanDerWaalsContact C-N 3.33Å; Y143-Q145 PolarHBondContact O-N 3.21Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 3.38Å; Q145-R148 PolarHBondContact O-N 2.79Å; Q145-C149 WeakPolarHBondContact O-CB 3.36Å; Q145-C149 PolarHBondContact O-N 2.92Å; Q145-C149 PolarHBondContact O-SG 3.36Å
146C98.9Very high98.2Very high0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-55.8-45.4176.5-73.80000111.3I22 A23 V26 V142 Y143 C149 C150I22-C146 HydrophobicContact CG2-CB 4.19Å; A23-C146 HydrophobicContact CB-CB 4.42Å; V26-C146 HydrophobicContact CG2-CB 4.39Å; V142-C146 WeakPolarHBondContact O-CB 3.44Å; V142-C146 PolarHBondContact O-N 3.45Å; V142-C146 PolarHBondContact O-SG 3.26Å; Y143-C146 PolarHBondContact O-N 2.97Å; C146-C149 PolarHBondContact O-N 3.43Å; C146-C150 WeakPolarHBondContact O-CB 3.34Å; C146-C150 PolarHBondContact O-N 3.15Å; C146-C150 PolarHBondContact O-SG 3.24Å
147L98.8Very high97.8Very high51 Ų5139.3 Ų39.327%0.26720%0.198SC..Hα-helixtrans-58.3-51178.2178.960.8000112.2V26 L30 Y143 Q145 K151V26-L147 HydrophobicContact CG1-CB 4.33Å; V26-L147 HydrophobicContact CG1-CD1 4.2Å; L30-L147 HydrophobicContact CD1-CD1 4.49Å; L30-L147 HydrophobicContact CD2-CD1 4.19Å; Y143-L147 HydrophobicContact CE1-CD2 4.45Å; Y143-L147 WeakPolarHBondContact O-CB 3.23Å; Y143-L147 PolarHBondContact O-N 2.91Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 3.38Å; L147-K151 VanDerWaalsContact O-CB 3.29Å; L147-K151 WeakPolarHBondContact O-CB 3.39Å; L147-K151 PolarHBondContact O-N 2.88Å
148R98.8Very high96.9Very high45 Ų4540.3 Ų40.317%0.1720%0.202CC..Hα-helixtrans-62.4-47.9179.7-66.8-169.5-48.1-939112D121 Q123 Q144 Q145 A152D121-R148 IonicContact OD1-CZ 2.7Å; D121-R148 IonicContact OD1-NE 3.51Å; D121-R148 PolarHBondContact OD1-NE 2.78Å; D121-R148 IonicContact OD1-NH2 3.67Å; D121-R148 IonicContact OD2-CZ 2.62Å; D121-R148 IonicContact OD2-NE 3.81Å; D121-R148 IonicContact OD2-NH2 3.66Å; D121-R148 PolarHBondContact OD2-NH2 3.41Å; Q123-R148 VanDerWaalsContact NE2-CD 3.32Å; Q144-R148 WeakPolarHBondContact O-CG 3.44Å; Q144-R148 PolarHBondContact O-N 2.93Å; Q144-R148 VanDerWaalsContact O-N 3.17Å; Q144-R148 PolarHBondContact O-NH1 2.93Å; Q145-R148 PolarHBondContact O-N 2.79Å; R148-A152 WeakPolarHBondContact O-CB 3.46Å; R148-A152 PolarHBondContact O-N 2.93Å
149C98.9Very high95.2Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-66.7-44.5-177.4-60.10000111.8L117 D121 Q145 C146 K151 A152 F153L117-C149 HydrophobicContact CD1-CB 3.54Å; L117-C149 HydrophobicContact CD2-CB 4.35Å; L117-C149 HydrophobicContact CG-CB 3.58Å; L117-C149 WeakPolarHBondContact O-CB 3.31Å; D121-C149 VanDerWaalsContact CB-SG 3.59Å; Q145-C149 WeakPolarHBondContact O-CB 3.36Å; Q145-C149 PolarHBondContact O-N 2.92Å; Q145-C149 PolarHBondContact O-SG 3.36Å; C146-C149 PolarHBondContact O-N 3.43Å; C149-K151 VanDerWaalsContact C-N 3.35Å; C149-K151 PolarHBondContact O-N 3.08Å; C149-A152 PolarHBondContact O-N 3.26Å; C149-F153 VanDerWaalsContact O-CB 3.25Å; C149-F153 WeakPolarHBondContact O-CB 3.26Å; C149-F153 PolarHBondContact O-N 3.38Å
150C98.8Very high95Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-63.6-41.2179.7-73.40000111.7V26 F27 L30 C146 F153 L154V26-C150 HydrophobicContact CG1-CB 4.02Å; F27-C150 HydrophobicContact CB-CB 4.38Å; F27-C150 HydrophobicContact CD2-CB 3.92Å; L30-C150 HydrophobicContact CD1-CB 3.65Å; C146-C150 WeakPolarHBondContact O-CB 3.34Å; C146-C150 PolarHBondContact O-N 3.15Å; C146-C150 PolarHBondContact O-SG 3.24Å; C150-F153 PolarHBondContact O-N 3.44Å; C150-L154 WeakPolarHBondContact O-CB 3.23Å; C150-L154 PolarHBondContact O-N 3.45Å
151K98.5Very high94.8Very high106 Ų10646.6 Ų46.646%0.46125%0.249SC..Hα-helixtrans-62.8-51175.7-177.2171.9178.5174.80111.6L30 L147 C149 F153 L154 E155L30-K151 HydrophobicContact CD1-CB 4.27Å; L147-K151 VanDerWaalsContact O-CB 3.29Å; L147-K151 WeakPolarHBondContact O-CB 3.39Å; L147-K151 PolarHBondContact O-N 2.88Å; C149-K151 VanDerWaalsContact C-N 3.35Å; C149-K151 PolarHBondContact O-N 3.08Å; K151-F153 VanDerWaalsContact C-N 3.3Å; K151-F153 PolarHBondContact O-N 2.88Å; K151-L154 PolarHBondContact O-N 2.93Å; K151-E155 WeakPolarHBondContact CE-OE1 3.24Å; K151-E155 WeakPolarHBondContact CG-OE1 3.42Å; K151-E155 WeakPolarHBondContact O-CG 3.4Å; K151-E155 PolarHBondContact O-N 2.97Å
152A98.5Very high94.6Very high26 Ų2644.9 Ų44.922%0.21524%0.237CC..Hα-helixtrans-62.6-35.8178.100000112.8Y120 R148 C149 K156Y120-A152 WeakPolarHBondContact O-CB 3.42Å; R148-A152 WeakPolarHBondContact O-CB 3.46Å; R148-A152 PolarHBondContact O-N 2.93Å; C149-A152 PolarHBondContact O-N 3.26Å; A152-K156 WeakPolarHBondContact O-CB 3.45Å; A152-K156 PolarHBondContact O-N 3.42Å; A152-K156 VanDerWaalsContact O-N 3.13Å
153F98.4Very high94.4Very high0 Ų047.4 Ų47.40%025%0.25CC..Hα-helixtrans-64.7-45.2173.9171.9-111.3000112V9 F27 W40 Y88 L90 Y120 C149 C150 K151 L157V9-F153 HydrophobicContact CB-CE1 4.25Å; V9-F153 HydrophobicContact CB-CZ 4.48Å; V9-F153 HydrophobicContact CG1-CE1 4.48Å; V9-F153 HydrophobicContact CG2-CE1 4.13Å; V9-F153 HydrophobicContact CG2-CZ 4.34Å; F27-F153 HydrophobicContact CD2-CD1 4.27Å; F27-F153 AromaticContact CE2-CD1 3.53Å; F27-F153 HydrophobicContact CE2-CD1 3.53Å; F27-F153 AromaticContact CE2-CE1 3.91Å; F27-F153 HydrophobicContact CE2-CE1 3.91Å; F27-F153 AromaticContact CZ-CD1 3.96Å; F27-F153 HydrophobicContact CZ-CD1 3.96Å; F27-F153 AromaticContact CZ-CE1 3.84Å; F27-F153 HydrophobicContact CZ-CE1 3.84Å; W40-F153 AromaticContact CH2-CE1 3.77Å; W40-F153 HydrophobicContact CH2-CE1 3.77Å; W40-F153 HydrophobicContact CH2-CZ 4.01Å; W40-F153 HydrophobicContact CZ3-CE1 4.15Å; W40-F153 HydrophobicContact CZ3-CZ 4.41Å; Y88-F153 AromaticContact CD1-CE2 3.85Å; Y88-F153 HydrophobicContact CD1-CE2 3.85Å; Y88-F153 HydrophobicContact CD1-CZ 4.15Å; Y88-F153 HydrophobicContact CD2-CE2 4.2Å; Y88-F153 AromaticContact CD2-CZ 3.73Å; Y88-F153 HydrophobicContact CD2-CZ 3.73Å; Y88-F153 HydrophobicContact CE1-CE2 4.08Å; Y88-F153 HydrophobicContact CE2-CE2 4.42Å; Y88-F153 HydrophobicContact CE2-CZ 4.19Å; Y88-F153 AromaticContact CG-CE2 3.93Å; Y88-F153 HydrophobicContact CG-CE2 3.93Å; Y88-F153 AromaticContact CG-CZ 3.73Å; Y88-F153 HydrophobicContact CG-CZ 3.73Å; L90-F153 HydrophobicContact CD1-CD1 4.07Å; L90-F153 HydrophobicContact CD1-CD2 4.11Å; L90-F153 HydrophobicContact CD1-CE1 4.07Å; L90-F153 HydrophobicContact CD1-CE2 4.08Å; L90-F153 HydrophobicContact CD1-CG 4.1Å; L90-F153 HydrophobicContact CD1-CZ 4.06Å; Y120-F153 HydrophobicContact CD1-CB 3.92Å; Y120-F153 HydrophobicContact CD1-CD2 4.1Å; Y120-F153 HydrophobicContact CE1-CB 4.33Å; Y120-F153 AromaticContact CE1-CD2 3.64Å; Y120-F153 HydrophobicContact CE1-CD2 3.64Å; Y120-F153 HydrophobicContact CE1-CG 4.47Å; Y120-F153 HydrophobicContact CE2-CD2 4.18Å; Y120-F153 HydrophobicContact CG-CB 4.1Å; Y120-F153 AromaticContact CZ-CD2 3.7Å; C149-F153 VanDerWaalsContact O-CB 3.25Å; C149-F153 WeakPolarHBondContact O-CB 3.26Å; C149-F153 PolarHBondContact O-N 3.38Å; C150-F153 PolarHBondContact O-N 3.44Å; K151-F153 VanDerWaalsContact C-N 3.3Å; K151-F153 PolarHBondContact O-N 2.88Å; F153-L157 HydrophobicContact CD2-CD1 4.07Å; F153-L157 HydrophobicContact CE1-CD1 3.96Å; F153-L157 HydrophobicContact CE2-CD1 3.43Å; F153-L157 VanDerWaalsContact CE2-CD1 3.43Å; F153-L157 HydrophobicContact CE2-CG 4.29Å; F153-L157 HydrophobicContact CZ-CD1 3.36Å; F153-L157 WeakPolarHBondContact O-CG 3.37Å; F153-L157 PolarHBondContact O-N 3.3Å
154L97.7Very high94.1Very high0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-61.2-51.6177-175.455.7000111.1F27 L30 V31 E34 W40 C150 K151 K156 L157 T158F27-L154 HydrophobicContact CE2-CB 4.01Å; F27-L154 HydrophobicContact CE2-CD1 4.35Å; F27-L154 HydrophobicContact CZ-CD1 4.19Å; L30-L154 HydrophobicContact CB-CD2 4.2Å; V31-L154 HydrophobicContact CG1-CD1 4.02Å; V31-L154 HydrophobicContact CG1-CD2 4.05Å; E34-L154 WeakPolarHBondContact OE2-CD2 3.45Å; W40-L154 HydrophobicContact CZ2-CD1 4.05Å; C150-L154 WeakPolarHBondContact O-CB 3.23Å; C150-L154 PolarHBondContact O-N 3.45Å; K151-L154 PolarHBondContact O-N 2.93Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.02Å; L154-L157 PolarHBondContact O-N 3.34Å; L154-T158 HydrophobicContact CD1-CG2 4.08Å; L154-T158 HydrophobicContact CG-CG2 4.44Å; L154-T158 PolarHBondContact O-N 2.88Å; L154-T158 PolarHBondContact O-OG1 2.87Å
155E95.7Very high93.8Very high90 Ų9047.7 Ų47.742%0.42126%0.256SS..Hα-helixtrans-56.4-42.4-179.4-73.8173-179.600112.4K151 L157 T158 S159K151-E155 WeakPolarHBondContact CE-OE1 3.24Å; K151-E155 WeakPolarHBondContact CG-OE1 3.42Å; K151-E155 WeakPolarHBondContact O-CG 3.4Å; K151-E155 PolarHBondContact O-N 2.97Å; E155-L157 PolarHBondContact O-N 3.31Å; E155-T158 WeakPolarHBondContact CA-OG1 3.41Å; E155-T158 PolarHBondContact O-N 3.12Å; E155-T158 PolarHBondContact O-OG1 3.15Å; E155-S159 WeakPolarHBondContact O-CB 3.3Å; E155-S159 PolarHBondContact O-N 2.76Å; E155-S159 PolarHBondContact O-OG 3.17Å
156K93.6Very high93.4Very high122 Ų12250.4 Ų50.453%0.5327%0.271SS..Hα-helixtrans-61.9-28.6178-173.7-173-177.9175.10112.8Y120 A152 L154Y120-K156 HydrophobicContact CD1-CD 4.39Å; Y120-K156 HydrophobicContact CE1-CD 3.77Å; A152-K156 WeakPolarHBondContact O-CB 3.45Å; A152-K156 PolarHBondContact O-N 3.42Å; A152-K156 VanDerWaalsContact O-N 3.13Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.02Å
157L89.4Confident93Very high31 Ų3154.2 Ų54.216%0.16229%0.292CS..Hα-helixtrans-95.6-15.9-177-66-178.8000113K7 W40 Y88 F153 L154 E155K7-L157 PolarHBondContact NZ-O 3.01Å; W40-L157 HydrophobicContact CH2-CD1 3.54Å; W40-L157 HydrophobicContact CZ2-CD1 4.04Å; Y88-L157 HydrophobicContact CE2-CD1 3.85Å; Y88-L157 HydrophobicContact CE2-CD2 4.5Å; Y88-L157 VanDerWaalsContact OH-CD2 3.29Å; Y88-L157 WeakPolarHBondContact OH-CD2 3.08Å; F153-L157 HydrophobicContact CD2-CD1 4.07Å; F153-L157 HydrophobicContact CE1-CD1 3.96Å; F153-L157 HydrophobicContact CE2-CD1 3.43Å; F153-L157 VanDerWaalsContact CE2-CD1 3.43Å; F153-L157 HydrophobicContact CE2-CG 4.29Å; F153-L157 HydrophobicContact CZ-CD1 3.36Å; F153-L157 WeakPolarHBondContact O-CG 3.37Å; F153-L157 PolarHBondContact O-N 3.3Å; L154-L157 PolarHBondContact O-N 3.34Å; E155-L157 PolarHBondContact O-N 3.31Å
158T79.4Confident92.5Very high81 Ų8154.5 Ų54.550%0.49729%0.294SS..Hα-helixtrans-96-15.2175.154.10000113.3L154 E155L154-T158 HydrophobicContact CD1-CG2 4.08Å; L154-T158 HydrophobicContact CG-CG2 4.44Å; L154-T158 PolarHBondContact O-N 2.88Å; L154-T158 PolarHBondContact O-OG1 2.87Å; E155-T158 WeakPolarHBondContact CA-OG1 3.41Å; E155-T158 PolarHBondContact O-N 3.12Å; E155-T158 PolarHBondContact O-OG1 3.15Å
159S62.1Low91.9Very high153 Ų15355.4 Ų55.4100%1.0731%0.305SS*.  trans-790172.6-55.70000111.8E155E155-S159 WeakPolarHBondContact O-CB 3.3Å; E155-S159 PolarHBondContact O-N 2.76Å; E155-S159 PolarHBondContact O-OG 3.17Å

Retrieved 159 of 159 residues in 420.2 ms (Link to these results)

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