A0A077ZHJ6_TRITR Loading...

tRNA(Ile)-lysidine synthetase

AlphaFold DB , UniProt , Accession A0A077ZHJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 541 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
1M47.7Very low78Confident242 Ų242125.1 Ų125.1100%1.19267%0.672SS**  0144.60-77.1176.9-167.800108.3G3M1-G3 PolarHBondContact O-N 2.97Å
2L68.3Low79.3Confident151 Ų151115.4 Ų115.479%0.79162%0.62SS**  trans-58.8129164-89.2105.7000108.1L4L2-L4 HydrophobicContact CB-CD2 4.3Å; L2-L4 HydrophobicContact CB-CG 4.02Å; L2-L4 HydrophobicContact CD2-CD2 4.23Å; L2-L4 PolarHBondContact O-N 3.36Å
3G74Confident80.4Confident76 Ų76112.8 Ų112.878%0.78461%0.605SS**  trans-75.254.6175.900000112.1M1 K5M1-G3 PolarHBondContact O-N 2.97Å; G3-K5 PolarHBondContact O-N 3.31Å
4L68Low81.3Confident148 Ų148104.8 Ų104.878%0.77556%0.562SS**  trans-61.5127.2175.3-61.1179.3000108.8L2L2-L4 HydrophobicContact CB-CD2 4.3Å; L2-L4 HydrophobicContact CB-CG 4.02Å; L2-L4 HydrophobicContact CD2-CD2 4.23Å; L2-L4 PolarHBondContact O-N 3.36Å
5K71.1Confident82.1Confident202 Ų202104.5 Ų104.588%0.87857%0.565SS**  trans-89.3-47.8-176.6-65.3-174.1177.4-176.30112.3G3G3-K5 PolarHBondContact O-N 3.31Å
6Q82.3Confident82.8Confident157 Ų157102.8 Ų102.873%0.73456%0.555SS**  trans-164.1168.7-178.364.5-170.938.500110.2H8Q6-H8 PolarHBondContact O-N 3.25Å
7V81.1Confident83.6Confident108 Ų10897.7 Ų97.766%0.65553%0.527SS*.  trans-68.9120.6162.6178.10000107.4I10V7-I10 HydrophobicContact CG1-CG1 3.95Å
8H87.2Confident84.2Confident121 Ų12195.7 Ų95.756%0.5653%0.526SS*.  trans-80.2-39.2-179.1179.7-102.7000112.4Q6 Y54Q6-H8 PolarHBondContact O-N 3.25Å; H8-Y54 AromaticContact CE1-CD1 3.97Å; H8-Y54 AromaticContact CE1-CE1 3.92Å
9H92Very high84.8Confident62 Ų6294.5 Ų94.529%0.28752%0.521SS..  trans-167.2171.9167.454.8-98.4000109.2Y54 V55 E57H9-Y54 HydrophobicContact CB-CD1 4.08Å; H9-Y54 HydrophobicContact CB-CE1 3.64Å; H9-Y54 HydrophobicContact CB-CE2 4.32Å; H9-Y54 AromaticContact CG-CE1 3.69Å; H9-Y54 AromaticContact CG-CZ 3.89Å; H9-Y54 AromaticContact ND1-CE1 3.3Å; H9-Y54 VanDerWaalsContact ND1-CE1 3.3Å; H9-Y54 WeakPolarHBondContact ND1-CE1 3.38Å; H9-Y54 AromaticContact ND1-CZ 3.89Å; H9-V55 CarbonylContact C-O 3.51Å; H9-V55 WeakPolarHBondContact CA-O 3.46Å; H9-V55 WeakPolarHBondContact CB-O 3.27Å; H9-E57 IonicContact NE2-OE1 3.23Å
10I93Very high85.4Confident51 Ų5189.8 Ų89.826%0.26250%0.495SS..EExtended strand (participates in β ladder)trans-121.3123.1173.4-57.8179.4000107.3V7 I12 V55 I56 E57 L79V7-I10 HydrophobicContact CG1-CG1 3.95Å; I10-I12 HydrophobicContact CG2-CG1 4.48Å; I10-V55 PolarHBondContact N-O 2.87Å; I10-I56 WeakPolarHBondContact O-CA 3.34Å; I10-E57 PolarHBondContact O-N 2.94Å; I10-L79 HydrophobicContact CD1-CD2 3.49Å; I10-L79 VanDerWaalsContact CD1-CD2 3.49Å; I10-L79 HydrophobicContact CG2-CD1 4.05Å; I10-L79 HydrophobicContact CG2-CD2 3.93Å
11A93.6Very high85.9Confident58 Ų5888.1 Ų88.148%0.47948%0.483SS..EExtended strand (participates in β ladder)trans-84.7129.7177.600000110.8E57 F59A11-E57 CarbonylContact C-O 3.53Å; A11-E57 WeakPolarHBondContact CA-O 3.29Å; A11-E57 HydrophobicContact CB-CB 4.39Å; A11-F59 HydrophobicContact CB-CD2 4.27Å; A11-F59 HydrophobicContact CB-CE2 4.06Å
12I93.4Very high88.3Confident9 Ų978.4 Ų78.45%0.04644%0.441CS..EExtended strand (participates in β ladder)trans-122.1133.3177.6-57.3-179.8000107.9I10 Y24 I56 E57 L58 F59 L79 L122I10-I12 HydrophobicContact CG2-CG1 4.48Å; I12-Y24 HydrophobicContact CD1-CE1 4.25Å; I12-Y24 HydrophobicContact CD1-CE2 4.38Å; I12-Y24 VanDerWaalsContact CD1-OH 3.23Å; I12-Y24 WeakPolarHBondContact CD1-OH 3.18Å; I12-I56 HydrophobicContact CB-CG2 4.4Å; I12-I56 HydrophobicContact CD1-CD1 3.97Å; I12-I56 HydrophobicContact CD1-CG1 4.23Å; I12-I56 HydrophobicContact CD1-CG2 3.73Å; I12-I56 HydrophobicContact CG1-CG2 4.06Å; I12-E57 PolarHBondContact N-O 3.46Å; I12-L58 HydrophobicContact CB-CD1 4.17Å; I12-L58 HydrophobicContact CG2-CD1 4.11Å; I12-F59 PolarHBondContact O-N 2.87Å; I12-L79 HydrophobicContact CD1-CD1 3.59Å; I12-L79 HydrophobicContact CG1-CD1 4.27Å; I12-L122 HydrophobicContact CD1-CD2 3.87Å; I12-L122 HydrophobicContact CG1-CD2 4.21Å; I12-L122 HydrophobicContact CG2-CD2 4.15Å
13I93.6Very high89.7Confident82 Ų8271.7 Ų71.742%0.42141%0.406SS..EExtended strand (participates in β ladder)trans-104.1122.5176.8-60.9175.6000108.2F59 F61 P64I13-F59 CarbonylContact C-O 3.54Å; I13-F59 WeakPolarHBondContact CA-O 3.49Å; I13-F59 HydrophobicContact CG1-CB 4.39Å; I13-F61 HydrophobicContact CD1-CD2 4.19Å; I13-F61 HydrophobicContact CD1-CE2 3.9Å; I13-F61 HydrophobicContact CG1-CD2 4.35Å; I13-F61 HydrophobicContact CG1-CE2 4.05Å; I13-F61 HydrophobicContact CG2-CD2 3.76Å; I13-F61 HydrophobicContact CG2-CE2 4.3Å; I13-P64 HydrophobicContact CG2-CB 3.51Å; I13-P64 HydrophobicContact CG2-CG 4.43Å
14A93.6Very high90.7Very high0 Ų068 Ų680%037%0.368CS..EExtended strand (participates in β ladder)trans-100.7143.3176.500000111.7S20 L58 F59 S60 D120A14-S20 WeakPolarHBondContact CB-OG 3.45Å; A14-L58 HydrophobicContact CB-CD1 4.07Å; A14-F59 PolarHBondContact N-O 3.45Å; A14-S60 WeakPolarHBondContact O-CA 3.25Å; A14-D120 VanDerWaalsContact CA-OD2 3.22Å; A14-D120 WeakPolarHBondContact CA-OD2 3.17Å; A14-D120 WeakPolarHBondContact CB-OD2 3.01Å
15T92.9Very high92.1Very high100 Ų10062 Ų6261%0.61334%0.338SS*.SBendtrans-73.5-35.8168.659.60000111.5P64 D120T15-P64 HydrophobicContact CG2-CG 3.78Å; T15-D120 WeakPolarHBondContact CB-OD1 3.41Å; T15-D120 WeakPolarHBondContact CG2-OD1 3.48Å; T15-D120 PolarHBondContact N-OD1 2.72Å; T15-D120 PolarHBondContact N-OD2 3.38Å; T15-D120 PolarHBondContact OG1-OD1 3.04Å
16D93.9Very high93.3Very high77 Ų7758.3 Ų58.341%0.41233%0.328SS..SBendtrans-127.2111.1173.9-174.5-33.6000109.9A18 V19 S20D16-A18 VanDerWaalsContact C-N 3.32Å; D16-A18 PolarHBondContact O-N 3.46Å; D16-A18 WeakPolarHBondContact OD1-CB 3.42Å; D16-A18 PolarHBondContact OD1-N 3Å; D16-V19 HydrophobicContact CB-CB 4.02Å; D16-V19 HydrophobicContact CB-CG2 4.01Å; D16-V19 VanDerWaalsContact CG-CG2 3.49Å; D16-V19 PolarHBondContact O-N 3.38Å; D16-V19 PolarHBondContact OD1-N 3.34Å; D16-V19 VanDerWaalsContact OD1-N 3.16Å; D16-V19 WeakPolarHBondContact OD2-CG2 3.45Å; D16-S20 PolarHBondContact O-N 3.3Å; D16-S20 PolarHBondContact O-OG 2.96Å
17Y95.1Very high93.9Very high17 Ų1752.2 Ų52.27%0.06730%0.3CS..Hα-helixtrans-61-39.6-178.3-175.2-109.1000112.7K21 E35 W44 G46 L58Y17-K21 HydrophobicContact CE1-CD 4Å; Y17-K21 WeakPolarHBondContact O-CB 3.2Å; Y17-K21 PolarHBondContact O-N 3.16Å; Y17-E35 WeakPolarHBondContact OH-CB 3.46Å; Y17-W44 HydrophobicContact CD1-CB 3.61Å; Y17-W44 AromaticContact CD1-CD2 3.98Å; Y17-W44 HydrophobicContact CD1-CD2 3.98Å; Y17-W44 HydrophobicContact CD1-CE3 4.42Å; Y17-W44 AromaticContact CD1-CG 3.6Å; Y17-W44 HydrophobicContact CD1-CG 3.6Å; Y17-W44 HydrophobicContact CD2-CB 3.46Å; Y17-W44 VanDerWaalsContact CD2-CB 3.46Å; Y17-W44 HydrophobicContact CD2-CG 4.33Å; Y17-W44 HydrophobicContact CE1-CB 3.83Å; Y17-W44 HydrophobicContact CE1-CD2 4.07Å; Y17-W44 HydrophobicContact CE1-CE3 4.04Å; Y17-W44 AromaticContact CE1-CG 4Å; Y17-W44 HydrophobicContact CE1-CG 4Å; Y17-W44 HydrophobicContact CE2-CB 3.7Å; Y17-W44 HydrophobicContact CG-CB 3.41Å; Y17-W44 VanDerWaalsContact CG-CB 3.41Å; Y17-W44 AromaticContact CG-CG 3.78Å; Y17-W44 HydrophobicContact CG-CG 3.78Å; Y17-G46 WeakPolarHBondContact OH-CA 3.38Å; Y17-G46 PolarHBondContact OH-N 2.86Å; Y17-L58 HydrophobicContact CD2-CD2 4.13Å; Y17-L58 HydrophobicContact CD2-CG 4.25Å; Y17-L58 HydrophobicContact CE2-CB 4.38Å; Y17-L58 HydrophobicContact CE2-CD2 3.98Å; Y17-L58 HydrophobicContact CE2-CG 4.13Å
18A95.3Very high94.5Very high62 Ų6248.9 Ų48.951%0.51228%0.278SS..Hα-helixtrans-70.5-41.8-175.500000110.8D16 A22D16-A18 VanDerWaalsContact C-N 3.32Å; D16-A18 PolarHBondContact O-N 3.46Å; D16-A18 WeakPolarHBondContact OD1-CB 3.42Å; D16-A18 PolarHBondContact OD1-N 3Å; A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 2.87Å
19V96Very high94.9Very high72 Ų7245.4 Ų45.444%0.43628%0.276SS..Hα-helixtrans-65.1-47.9177.4175.90000110.9D16 A22 F23 P119D16-V19 HydrophobicContact CB-CB 4.02Å; D16-V19 HydrophobicContact CB-CG2 4.01Å; D16-V19 VanDerWaalsContact CG-CG2 3.49Å; D16-V19 PolarHBondContact O-N 3.38Å; D16-V19 PolarHBondContact OD1-N 3.34Å; D16-V19 VanDerWaalsContact OD1-N 3.16Å; D16-V19 WeakPolarHBondContact OD2-CG2 3.45Å; V19-A22 PolarHBondContact O-N 3.05Å; V19-F23 PolarHBondContact O-N 2.98Å; V19-P119 HydrophobicContact CG1-CB 3.68Å; V19-P119 HydrophobicContact CG1-CG 3.87Å
20S96.2Very high95Very high1 Ų142.9 Ų42.91%0.00726%0.264CS..Hα-helixtrans-70.2-35-179.4-59.40000111.7A14 D16 F23 Y24 D120A14-S20 WeakPolarHBondContact CB-OG 3.45Å; D16-S20 PolarHBondContact O-N 3.3Å; D16-S20 PolarHBondContact O-OG 2.96Å; S20-F23 PolarHBondContact O-N 2.99Å; S20-Y24 WeakPolarHBondContact O-CD2 3.45Å; S20-Y24 PolarHBondContact O-N 3.06Å; S20-D120 PolarHBondContact OG-OD2 2.63Å
21K96.4Very high95.1Very high55 Ų5544.5 Ų44.524%0.23928%0.276CS..Hα-helixtrans-60.4-48.3171.8-173.9173.185167.20111.6Y17 F23 Y24 C25 L32 E35 L58Y17-K21 HydrophobicContact CE1-CD 4Å; Y17-K21 WeakPolarHBondContact O-CB 3.2Å; Y17-K21 PolarHBondContact O-N 3.16Å; K21-F23 VanDerWaalsContact C-N 3.31Å; K21-F23 PolarHBondContact O-N 3.36Å; K21-Y24 PolarHBondContact O-N 2.53Å; K21-C25 VanDerWaalsContact O-CB 3.27Å; K21-C25 WeakPolarHBondContact O-CB 3.39Å; K21-C25 PolarHBondContact O-N 3.3Å; K21-L32 HydrophobicContact CD-CD1 4.45Å; K21-L32 HydrophobicContact CD-CD2 4.03Å; K21-E35 IonicContact NZ-OE1 3.77Å; K21-E35 PolarHBondContact NZ-OE1 2.91Å; K21-E35 IonicContact NZ-OE2 3.74Å; K21-E35 PolarHBondContact NZ-OE2 2.71Å; K21-L58 HydrophobicContact CB-CD2 4.25Å
22A96.6Very high95.2Very high37 Ų3744.3 Ų44.331%0.30627%0.267SS..Hα-helixtrans-61.1-40.6177.400000111.7A18 V19 D26 I27A18-A22 WeakPolarHBondContact O-CB 3.48Å; A18-A22 PolarHBondContact O-N 2.87Å; V19-A22 PolarHBondContact O-N 3.05Å; A22-D26 WeakPolarHBondContact CA-OD2 3.39Å; A22-D26 WeakPolarHBondContact O-CA 3.31Å; A22-D26 WeakPolarHBondContact O-CB 3.29Å; A22-D26 PolarHBondContact O-N 2.67Å; A22-I27 PolarHBondContact O-N 3.19Å
23F97.5Very high95.3Very high10 Ų1048.7 Ų48.74%0.04429%0.287CS..Iπ-helixtrans-61.2-51.6176.1177.8-92.6000112.7V19 S20 K21 I27 L28 V98 F116 D118 P119 L124V19-F23 PolarHBondContact O-N 2.98Å; S20-F23 PolarHBondContact O-N 2.99Å; K21-F23 VanDerWaalsContact C-N 3.31Å; K21-F23 PolarHBondContact O-N 3.36Å; F23-I27 HydrophobicContact CD2-CD1 3.92Å; F23-I27 VanDerWaalsContact O-CB 3.32Å; F23-I27 WeakPolarHBondContact O-CB 3.11Å; F23-I27 PolarHBondContact O-N 3.4Å; F23-L28 HydrophobicContact CD1-CD1 4.13Å; F23-L28 HydrophobicContact CD1-CG 4.44Å; F23-L28 HydrophobicContact CE1-CD1 3.5Å; F23-L28 HydrophobicContact CE1-CG 4.03Å; F23-L28 HydrophobicContact CZ-CD1 4.12Å; F23-L28 HydrophobicContact CZ-CG 4.37Å; F23-L28 PolarHBondContact O-N 3.31Å; F23-V98 HydrophobicContact CD2-CG2 4.37Å; F23-V98 HydrophobicContact CE2-CG1 4.25Å; F23-V98 HydrophobicContact CE2-CG2 3.86Å; F23-F116 HydrophobicContact CZ-CD2 4.15Å; F23-F116 AromaticContact CZ-CE2 3.77Å; F23-F116 HydrophobicContact CZ-CE2 3.77Å; F23-D118 HydrophobicContact CD1-CB 4.1Å; F23-D118 HydrophobicContact CE1-CB 3.64Å; F23-D118 HydrophobicContact CZ-CB 4.09Å; F23-P119 HydrophobicContact CB-CG 3.62Å; F23-P119 HydrophobicContact CD1-CG 4.43Å; F23-P119 HydrophobicContact CD2-CG 3.99Å; F23-P119 VanDerWaalsContact CG-CD 3.49Å; F23-P119 HydrophobicContact CG-CG 3.78Å; F23-L124 HydrophobicContact CE1-CD1 3.71Å; F23-L124 HydrophobicContact CZ-CD1 3.99Å
24Y96.7Very high95.3Very high0 Ų047 Ų470%028%0.283CS..Iπ-helixtrans-69.9-40.6-178.7-74.5-71.3000112.5I12 S20 K21 L28 G29 F30 L48 I56 L58 D118 L124I12-Y24 HydrophobicContact CD1-CE1 4.25Å; I12-Y24 HydrophobicContact CD1-CE2 4.38Å; I12-Y24 VanDerWaalsContact CD1-OH 3.23Å; I12-Y24 WeakPolarHBondContact CD1-OH 3.18Å; S20-Y24 WeakPolarHBondContact O-CD2 3.45Å; S20-Y24 PolarHBondContact O-N 3.06Å; K21-Y24 PolarHBondContact O-N 2.53Å; Y24-L28 HydrophobicContact CD1-CD1 3.87Å; Y24-L28 HydrophobicContact CE1-CD1 4.08Å; Y24-L28 CarbonylContact O-C 3.59Å; Y24-L28 WeakPolarHBondContact O-CB 3.35Å; Y24-G29 PolarHBondContact O-N 2.93Å; Y24-F30 HydrophobicContact CD1-CD2 4.39Å; Y24-F30 HydrophobicContact CD1-CE2 4.35Å; Y24-F30 WeakPolarHBondContact O-CB 3.24Å; Y24-F30 WeakPolarHBondContact O-CD2 3.2Å; Y24-F30 PolarHBondContact O-N 3.39Å; Y24-L48 HydrophobicContact CD2-CD1 4.2Å; Y24-L48 HydrophobicContact CG-CD1 3.93Å; Y24-I56 HydrophobicContact CD1-CD1 3.77Å; Y24-I56 HydrophobicContact CE1-CD1 3.67Å; Y24-L58 HydrophobicContact CD2-CD1 4.23Å; Y24-L58 HydrophobicContact CD2-CD2 4.37Å; Y24-L58 HydrophobicContact CE2-CD1 4.05Å; Y24-D118 PolarHBondContact OH-OD2 3.19Å; Y24-D118 VanDerWaalsContact OH-OD2 3.09Å; Y24-L124 HydrophobicContact CE1-CD1 4.47Å
25C96.4Very high95.4Very high22 Ų2251.1 Ų51.115%0.14930%0.302CS..Iπ-helixtrans-81.1-51.8-176.7-69.80000113.2K21 G29 F30K21-C25 VanDerWaalsContact O-CB 3.27Å; K21-C25 WeakPolarHBondContact O-CB 3.39Å; K21-C25 PolarHBondContact O-N 3.3Å; C25-G29 VanDerWaalsContact O-CA 3.24Å; C25-G29 WeakPolarHBondContact O-CA 3.49Å; C25-G29 PolarHBondContact O-N 2.88Å; C25-F30 VanDerWaalsContact CA-O 3.25Å; C25-F30 WeakPolarHBondContact CA-O 3.37Å; C25-F30 WeakPolarHBondContact CB-O 3.35Å; C25-F30 PolarHBondContact SG-O 3.37Å
26D95.6Very high95.5Very high123 Ų12350.2 Ų50.266%0.65830%0.296SS*.Iπ-helixtrans-86.8-31.7-168.8-51.5-32.7000112A22A22-D26 WeakPolarHBondContact CA-OD2 3.39Å; A22-D26 WeakPolarHBondContact O-CA 3.31Å; A22-D26 WeakPolarHBondContact O-CB 3.29Å; A22-D26 PolarHBondContact O-N 2.67Å
27I95.9Very high95.6Very high30 Ų3051.4 Ų51.415%0.15430%0.296CS..Iπ-helixtrans-95-50.4-179.1-53.5176.2000111.2A22 F23 H92 L93 H96 V98A22-I27 PolarHBondContact O-N 3.19Å; F23-I27 HydrophobicContact CD2-CD1 3.92Å; F23-I27 VanDerWaalsContact O-CB 3.32Å; F23-I27 WeakPolarHBondContact O-CB 3.11Å; F23-I27 PolarHBondContact O-N 3.4Å; I27-H92 PolarHBondContact O-NE2 2.92Å; I27-L93 HydrophobicContact CG2-CD2 3.84Å; I27-H96 HydrophobicContact CD1-CB 3.92Å; I27-H96 HydrophobicContact CG1-CB 4.13Å; I27-H96 HydrophobicContact CG2-CB 4.07Å; I27-V98 HydrophobicContact CD1-CG2 4.26Å; I27-V98 HydrophobicContact CG2-CG2 4.47Å
28L94.7Very high95.5Very high37 Ų3753.2 Ų53.219%0.19430%0.302CS..SBendtrans-88.3-7.5-178.8-61.9-174.1000114.4F23 Y24 F30 L93 F116 L124F23-L28 HydrophobicContact CD1-CD1 4.13Å; F23-L28 HydrophobicContact CD1-CG 4.44Å; F23-L28 HydrophobicContact CE1-CD1 3.5Å; F23-L28 HydrophobicContact CE1-CG 4.03Å; F23-L28 HydrophobicContact CZ-CD1 4.12Å; F23-L28 HydrophobicContact CZ-CG 4.37Å; F23-L28 PolarHBondContact O-N 3.31Å; Y24-L28 HydrophobicContact CD1-CD1 3.87Å; Y24-L28 HydrophobicContact CE1-CD1 4.08Å; Y24-L28 CarbonylContact O-C 3.59Å; Y24-L28 WeakPolarHBondContact O-CB 3.35Å; L28-F30 HydrophobicContact CB-CD2 3.88Å; L28-F30 HydrophobicContact CB-CE2 4.01Å; L28-F30 HydrophobicContact CD1-CE2 4.47Å; L28-L93 HydrophobicContact CD2-CD2 3.96Å; L28-F116 HydrophobicContact CD1-CE2 4.39Å; L28-F116 HydrophobicContact CD1-CZ 4.44Å; L28-F116 HydrophobicContact CD2-CE2 3.96Å; L28-F116 HydrophobicContact CD2-CZ 4Å; L28-L124 HydrophobicContact CD1-CD1 3.99Å
29G93.9Very high95.4Very high49 Ų4958.2 Ų58.251%0.50532%0.315SS..  trans80.516.8172.800000115.7Y24 C25Y24-G29 PolarHBondContact O-N 2.93Å; C25-G29 VanDerWaalsContact O-CA 3.24Å; C25-G29 WeakPolarHBondContact O-CA 3.49Å; C25-G29 PolarHBondContact O-N 2.88Å
30F95.3Very high95.1Very high8 Ų860 Ų604%0.03534%0.337CS..  trans-69140.7174.8-75.5-110.9000111.4Y24 C25 L28 L48 A49 L50 V55 I56 F81Y24-F30 HydrophobicContact CD1-CD2 4.39Å; Y24-F30 HydrophobicContact CD1-CE2 4.35Å; Y24-F30 WeakPolarHBondContact O-CB 3.24Å; Y24-F30 WeakPolarHBondContact O-CD2 3.2Å; Y24-F30 PolarHBondContact O-N 3.39Å; C25-F30 VanDerWaalsContact CA-O 3.25Å; C25-F30 WeakPolarHBondContact CA-O 3.37Å; C25-F30 WeakPolarHBondContact CB-O 3.35Å; C25-F30 PolarHBondContact SG-O 3.37Å; L28-F30 HydrophobicContact CB-CD2 3.88Å; L28-F30 HydrophobicContact CB-CE2 4.01Å; L28-F30 HydrophobicContact CD1-CE2 4.47Å; F30-L48 HydrophobicContact CB-CB 4.16Å; F30-L48 HydrophobicContact CD1-CB 3.92Å; F30-L48 HydrophobicContact CG-CB 4.42Å; F30-A49 CarbonylContact C-O 3.26Å; F30-A49 WeakPolarHBondContact CA-O 3.43Å; F30-L50 HydrophobicContact CD1-CB 4.08Å; F30-L50 HydrophobicContact CD2-CD1 4.39Å; F30-L50 HydrophobicContact CE1-CB 3.73Å; F30-L50 HydrophobicContact CE2-CD1 4.16Å; F30-L50 HydrophobicContact CZ-CB 4.12Å; F30-L50 HydrophobicContact CZ-CD1 4.22Å; F30-L50 HydrophobicContact CZ-CD2 4.22Å; F30-L50 HydrophobicContact CZ-CG 4.43Å; F30-V55 HydrophobicContact CE1-CB 4.3Å; F30-I56 HydrophobicContact CD1-CD1 4.26Å; F30-I56 HydrophobicContact CE1-CD1 3.53Å; F30-I56 HydrophobicContact CE1-CG1 3.92Å; F30-I56 HydrophobicContact CE2-CD1 4.37Å; F30-I56 HydrophobicContact CZ-CD1 3.61Å; F30-I56 HydrophobicContact CZ-CG1 4.41Å; F30-F81 HydrophobicContact CE2-CE1 4.34Å; F30-F81 HydrophobicContact CE2-CZ 4.38Å; F30-F81 HydrophobicContact CZ-CD1 4.36Å; F30-F81 AromaticContact CZ-CE1 3.64Å; F30-F81 HydrophobicContact CZ-CE1 3.64Å; F30-F81 AromaticContact CZ-CZ 3.91Å; F30-F81 HydrophobicContact CZ-CZ 3.91Å
31T95.4Very high94.7Very high86 Ų8667.5 Ų67.553%0.52837%0.365SS..EExtended strand (participates in β ladder)trans-88.4126.1172.2-55.80000110.4Q33 L48 A49T31-Q33 PolarHBondContact O-N 3.2Å; T31-L48 WeakPolarHBondContact O-CA 3.46Å; T31-A49 PolarHBondContact N-O 2.84Å; T31-A49 PolarHBondContact O-N 3.05Å
32L95.9Very high94.5Very high53 Ų5369 Ų6928%0.27738%0.376SS..EExtended strand (participates in β ladder)trans-71.6111.4170-176.567.3000110K21 S34 E35 L48K21-L32 HydrophobicContact CD-CD1 4.45Å; K21-L32 HydrophobicContact CD-CD2 4.03Å; L32-S34 WeakPolarHBondContact CD1-O 3.39Å; L32-E35 HydrophobicContact CD1-CB 4.27Å; L32-E35 HydrophobicContact CD2-CB 4.32Å; L32-E35 HydrophobicContact CD2-CG 4.17Å; L32-L48 HydrophobicContact CB-CD2 4.38Å; L32-L48 HydrophobicContact CD1-CD2 3.51Å
33Q93.6Very high94.4Very high102 Ų10267.3 Ų67.348%0.47736%0.361SS..EExtended strand (participates in β ladder)trans-85.6-40.1178.3-67-167.4-37.500112.6T31 D47 A49T31-Q33 PolarHBondContact O-N 3.2Å; Q33-D47 HydrophobicContact CB-CB 4.38Å; Q33-D47 PolarHBondContact N-O 3.3Å; Q33-A49 VanDerWaalsContact CD-CB 3.48Å; Q33-A49 HydrophobicContact CG-CB 3.65Å
34S94.5Very high94.4Very high47 Ų4771.5 Ų71.533%0.32938%0.377SS..EExtended strand (participates in β ladder)trans-151.9149177.493.20000110.3L32 G46 D47L32-S34 WeakPolarHBondContact CD1-O 3.39Å; S34-G46 CarbonylContact O-C 3.48Å; S34-G46 WeakPolarHBondContact O-CA 3.27Å; S34-D47 PolarHBondContact O-N 2.97Å; S34-D47 VanDerWaalsContact OG-CG 3.31Å; S34-D47 PolarHBondContact OG-OD2 3.36Å
35E95.5Very high94.3Very high86 Ų8673.7 Ų73.740%0.40239%0.387SS..EExtended strand (participates in β ladder)trans-138.3138.1167.165.6-175.5163.100110.9Y17 K21 L32 K45Y17-E35 WeakPolarHBondContact OH-CB 3.46Å; K21-E35 IonicContact NZ-OE1 3.77Å; K21-E35 PolarHBondContact NZ-OE1 2.91Å; K21-E35 IonicContact NZ-OE2 3.74Å; K21-E35 PolarHBondContact NZ-OE2 2.71Å; L32-E35 HydrophobicContact CD1-CB 4.27Å; L32-E35 HydrophobicContact CD2-CB 4.32Å; L32-E35 HydrophobicContact CD2-CG 4.17Å; E35-K45 CarbonylContact C-O 3.44Å; E35-K45 VanDerWaalsContact CA-O 3.25Å; E35-K45 WeakPolarHBondContact CA-O 3.41Å
36V95.2Very high94.3Very high80 Ų8072.6 Ų72.649%0.48538%0.379SS..EExtended strand (participates in β ladder)trans-140.7129.5-178.3-179.20000109.9K45V36-K45 PolarHBondContact N-O 2.99Å; V36-K45 PolarHBondContact O-N 3.43Å
37Y95.7Very high94.4Very high103 Ų10368 Ų6840%0.40436%0.355SS..EExtended strand (participates in β ladder)trans-82.8128165.7-177.3-108.3000110.5E39 D42 W44Y37-E39 HydrophobicContact CE1-CB 4.2Å; Y37-D42 PolarHBondContact OH-OD1 2.86Å; Y37-W44 AromaticContact CD2-CD1 3.94Å; Y37-W44 AromaticContact CD2-CD2 3.89Å; Y37-W44 HydrophobicContact CD2-CD2 3.89Å; Y37-W44 AromaticContact CD2-CE2 3.57Å; Y37-W44 HydrophobicContact CD2-CG 4.12Å; Y37-W44 AromaticContact CD2-CZ2 3.98Å; Y37-W44 HydrophobicContact CD2-CZ2 3.98Å; Y37-W44 AromaticContact CD2-NE1 3.6Å; Y37-W44 HydrophobicContact CG-CD2 4.49Å; Y37-W44 HydrophobicContact CG-CZ2 4.23Å
38R93.3Very high94.4Very high55 Ų5566.6 Ų66.621%0.20835%0.348CS..EExtended strand (participates in β ladder)trans-107.288.8-177.4-55.5-179.8-59.6-173.2-4.9109.5A40 R41 D42 S43 F59R38-A40 VanDerWaalsContact C-N 3.28Å; R38-A40 PolarHBondContact O-N 3.39Å; R38-R41 CarbonylContact O-C 3.57Å; R38-R41 PolarHBondContact O-N 3.05Å; R38-D42 PolarHBondContact O-N 3.3Å; R38-S43 WeakPolarHBondContact CB-O 3.25Å; R38-S43 VanDerWaalsContact CZ-OG 3.32Å; R38-S43 PolarHBondContact N-O 3.42Å; R38-S43 PolarHBondContact NE-OG 2.87Å; R38-S43 PolarHBondContact NH2-OG 3.41Å; R38-S43 PolarHBondContact O-N 3.22Å; R38-F59 VanDerWaalsContact CZ-CD1 3.45Å; R38-F59 VanDerWaalsContact CZ-CE1 3.4Å
39E92.2Very high94.2Very high167 Ų16764.9 Ų64.978%0.7834%0.338SS*.G310 helixtrans-50.8-43.7-175.9-171.4178.4-170.400113.2Y37 R41 D42Y37-E39 HydrophobicContact CE1-CB 4.2Å; E39-R41 PolarHBondContact O-N 2.81Å; E39-D42 PolarHBondContact O-N 2.71Å; E39-D42 VanDerWaalsContact O-N 3.15Å
40A90.7Very high93.9Very high108 Ų10865.1 Ų65.189%0.89333%0.328SS*.G310 helixtrans-62.5-14.6179.900000115R38R38-A40 VanDerWaalsContact C-N 3.28Å; R38-A40 PolarHBondContact O-N 3.39Å
41R88.7Confident93.3Very high159 Ų15971.4 Ų71.460%0.636%0.362SS*.G310 helixtrans-122.40.6179.8-70.2-170.1-179.3-155.20.9113R38 E39 S43R38-R41 CarbonylContact O-C 3.57Å; R38-R41 PolarHBondContact O-N 3.05Å; E39-R41 PolarHBondContact O-N 2.81Å; R41-S43 VanDerWaalsContact C-N 3.27Å; R41-S43 WeakPolarHBondContact CB-OG 3.15Å; R41-S43 PolarHBondContact O-N 2.81Å
42D92Very high92.6Very high88 Ų8870 Ų7047%0.47137%0.365SS..THydrogen-bonded Turntrans45.953.5-173.1-17018.3000111.2Y37 R38 E39 P62Y37-D42 PolarHBondContact OH-OD1 2.86Å; R38-D42 PolarHBondContact O-N 3.3Å; E39-D42 PolarHBondContact O-N 2.71Å; E39-D42 VanDerWaalsContact O-N 3.15Å; D42-P62 HydrophobicContact CB-CG 3.7Å; D42-P62 VanDerWaalsContact O-CD 3.29Å; D42-P62 WeakPolarHBondContact O-CD 3.22Å; D42-P62 WeakPolarHBondContact O-CG 3.43Å; D42-P62 VanDerWaalsContact OD2-CG 3.31Å; D42-P62 WeakPolarHBondContact OD2-CG 3.41Å
43S94.1Very high91.9Very high0 Ų074.4 Ų74.40%038%0.384CS..EExtended strand (participates in β ladder)trans-145.1144.1-168.255.50000113.1R38 R41 S60R38-S43 WeakPolarHBondContact CB-O 3.25Å; R38-S43 VanDerWaalsContact CZ-OG 3.32Å; R38-S43 PolarHBondContact N-O 3.42Å; R38-S43 PolarHBondContact NE-OG 2.87Å; R38-S43 PolarHBondContact NH2-OG 3.41Å; R38-S43 PolarHBondContact O-N 3.22Å; R41-S43 VanDerWaalsContact C-N 3.27Å; R41-S43 WeakPolarHBondContact CB-OG 3.15Å; R41-S43 PolarHBondContact O-N 2.81Å; S43-S60 WeakPolarHBondContact CA-O 3.47Å; S43-S60 WeakPolarHBondContact CB-O 3.33Å
44W96.4Very high91.6Very high98 Ų9871.8 Ų71.837%0.37137%0.37SS..EExtended strand (participates in β ladder)trans-88.9152.5167.1-71.392.3000111.3Y17 Y37 F59 S60Y17-W44 HydrophobicContact CD1-CB 3.61Å; Y17-W44 AromaticContact CD1-CD2 3.98Å; Y17-W44 HydrophobicContact CD1-CD2 3.98Å; Y17-W44 HydrophobicContact CD1-CE3 4.42Å; Y17-W44 AromaticContact CD1-CG 3.6Å; Y17-W44 HydrophobicContact CD1-CG 3.6Å; Y17-W44 HydrophobicContact CD2-CB 3.46Å; Y17-W44 VanDerWaalsContact CD2-CB 3.46Å; Y17-W44 HydrophobicContact CD2-CG 4.33Å; Y17-W44 HydrophobicContact CE1-CB 3.83Å; Y17-W44 HydrophobicContact CE1-CD2 4.07Å; Y17-W44 HydrophobicContact CE1-CE3 4.04Å; Y17-W44 AromaticContact CE1-CG 4Å; Y17-W44 HydrophobicContact CE1-CG 4Å; Y17-W44 HydrophobicContact CE2-CB 3.7Å; Y17-W44 HydrophobicContact CG-CB 3.41Å; Y17-W44 VanDerWaalsContact CG-CB 3.41Å; Y17-W44 AromaticContact CG-CG 3.78Å; Y17-W44 HydrophobicContact CG-CG 3.78Å; Y37-W44 AromaticContact CD2-CD1 3.94Å; Y37-W44 AromaticContact CD2-CD2 3.89Å; Y37-W44 HydrophobicContact CD2-CD2 3.89Å; Y37-W44 AromaticContact CD2-CE2 3.57Å; Y37-W44 HydrophobicContact CD2-CG 4.12Å; Y37-W44 AromaticContact CD2-CZ2 3.98Å; Y37-W44 HydrophobicContact CD2-CZ2 3.98Å; Y37-W44 AromaticContact CD2-NE1 3.6Å; Y37-W44 HydrophobicContact CG-CD2 4.49Å; Y37-W44 HydrophobicContact CG-CZ2 4.23Å; W44-F59 VanDerWaalsContact O-CA 3.31Å; W44-F59 WeakPolarHBondContact O-CA 3.32Å; W44-S60 PolarHBondContact N-OG 2.75Å; W44-S60 PolarHBondContact O-N 3.39Å; W44-S60 VanDerWaalsContact O-N 3.09Å
45K96Very high91.2Very high46 Ų4671.3 Ų71.320%0.237%0.365CS..EExtended strand (participates in β ladder)trans-131.6122.7167.8177.9-176.2-164.5-73.90107.9E35 V36 D47 E57 L58 F59E35-K45 CarbonylContact C-O 3.44Å; E35-K45 VanDerWaalsContact CA-O 3.25Å; E35-K45 WeakPolarHBondContact CA-O 3.41Å; V36-K45 PolarHBondContact N-O 2.99Å; V36-K45 PolarHBondContact O-N 3.43Å; K45-D47 IonicContact NZ-OD1 3.84Å; K45-D47 PolarHBondContact NZ-OD1 3.33Å; K45-D47 IonicContact NZ-OD2 2.85Å; K45-D47 PolarHBondContact NZ-OD2 2.8Å; K45-E57 VanDerWaalsContact CE-CD 3.41Å; K45-E57 WeakPolarHBondContact CE-OE2 3.45Å; K45-E57 HydrophobicContact CG-CG 4.29Å; K45-E57 IonicContact NZ-OE2 3.25Å; K45-E57 PolarHBondContact NZ-OE2 3.5Å; K45-L58 CarbonylContact C-O 3.43Å; K45-L58 WeakPolarHBondContact CA-O 3.35Å; K45-F59 HydrophobicContact CB-CD1 3.88Å; K45-F59 HydrophobicContact CB-CE1 3.68Å; K45-F59 HydrophobicContact CD-CE1 3.75Å; K45-F59 HydrophobicContact CD-CZ 4.26Å; K45-F59 HydrophobicContact CG-CD1 4.03Å; K45-F59 HydrophobicContact CG-CE1 3.43Å; K45-F59 VanDerWaalsContact CG-CE1 3.43Å; K45-F59 HydrophobicContact CG-CZ 4.14Å
46G96.3Very high91.2Very high0 Ų067.2 Ų67.20%035%0.346CS..EExtended strand (participates in β ladder)trans-119.4133.7171.500000111.3Y17 S34 E57 L58Y17-G46 WeakPolarHBondContact OH-CA 3.38Å; Y17-G46 PolarHBondContact OH-N 2.86Å; S34-G46 CarbonylContact O-C 3.48Å; S34-G46 WeakPolarHBondContact O-CA 3.27Å; G46-E57 CarbonylContact O-C 3.55Å; G46-L58 PolarHBondContact N-O 3.06Å; G46-L58 PolarHBondContact O-N 2.95Å
47D96.7Very high91.2Very high27 Ų2764.8 Ų64.814%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-99.9113.2175.2-62.7-14.9000108.5Q33 S34 K45 Y54Q33-D47 HydrophobicContact CB-CB 4.38Å; Q33-D47 PolarHBondContact N-O 3.3Å; S34-D47 PolarHBondContact O-N 2.97Å; S34-D47 VanDerWaalsContact OG-CG 3.31Å; S34-D47 PolarHBondContact OG-OD2 3.36Å; K45-D47 IonicContact NZ-OD1 3.84Å; K45-D47 PolarHBondContact NZ-OD1 3.33Å; K45-D47 IonicContact NZ-OD2 2.85Å; K45-D47 PolarHBondContact NZ-OD2 2.8Å; D47-Y54 HydrophobicContact CB-CD2 4.06Å; D47-Y54 HydrophobicContact CB-CE2 3.52Å; D47-Y54 PolarHBondContact OD1-OH 3.09Å
48L96.1Very high91.2Very high0 Ų059.9 Ų59.90%031%0.31CS..EExtended strand (participates in β ladder)trans-109.7130.4-174.1-50.1-176.5000110.5Y24 F30 T31 L32 V55 I56 L58Y24-L48 HydrophobicContact CD2-CD1 4.2Å; Y24-L48 HydrophobicContact CG-CD1 3.93Å; F30-L48 HydrophobicContact CB-CB 4.16Å; F30-L48 HydrophobicContact CD1-CB 3.92Å; F30-L48 HydrophobicContact CG-CB 4.42Å; T31-L48 WeakPolarHBondContact O-CA 3.46Å; L32-L48 HydrophobicContact CB-CD2 4.38Å; L32-L48 HydrophobicContact CD1-CD2 3.51Å; L48-V55 PolarHBondContact O-N 2.79Å; L48-I56 HydrophobicContact CB-CB 4.07Å; L48-I56 HydrophobicContact CD1-CB 4.32Å; L48-I56 HydrophobicContact CD1-CG2 4.02Å; L48-I56 HydrophobicContact CG-CG2 4.48Å; L48-I56 PolarHBondContact N-O 2.76Å; L48-I56 PolarHBondContact O-N 2.78Å; L48-L58 HydrophobicContact CD1-CB 4.14Å; L48-L58 HydrophobicContact CD1-CD2 4.37Å; L48-L58 HydrophobicContact CG-CB 4.47Å
49A91.3Very high91.3Very high0 Ų058.3 Ų58.30%031%0.305CS..EExtended strand (participates in β ladder)trans-109.2139.8177.300000112.5F30 T31 Q33 Q53F30-A49 CarbonylContact C-O 3.26Å; F30-A49 WeakPolarHBondContact CA-O 3.43Å; T31-A49 PolarHBondContact N-O 2.84Å; T31-A49 PolarHBondContact O-N 3.05Å; Q33-A49 VanDerWaalsContact CD-CB 3.48Å; Q33-A49 HydrophobicContact CG-CB 3.65Å; A49-Q53 CarbonylContact C-O 3.6Å; A49-Q53 WeakPolarHBondContact CA-O 3.31Å; A49-Q53 WeakPolarHBondContact CB-O 3.37Å
50L87.1Confident91.4Very high54 Ų5450.9 Ų50.928%0.28327%0.272SS..EExtended strand (participates in β ladder)trans-104.8121.7167.8-173.963.2000107.5F30 G52 Q53 V55 F81F30-L50 HydrophobicContact CD1-CB 4.08Å; F30-L50 HydrophobicContact CD2-CD1 4.39Å; F30-L50 HydrophobicContact CE1-CB 3.73Å; F30-L50 HydrophobicContact CE2-CD1 4.16Å; F30-L50 HydrophobicContact CZ-CB 4.12Å; F30-L50 HydrophobicContact CZ-CD1 4.22Å; F30-L50 HydrophobicContact CZ-CD2 4.22Å; F30-L50 HydrophobicContact CZ-CG 4.43Å; L50-G52 PolarHBondContact O-N 3.08Å; L50-Q53 PolarHBondContact N-O 3.01Å; L50-Q53 PolarHBondContact O-N 3.36Å; L50-V55 HydrophobicContact CB-CG2 4.08Å; L50-F81 HydrophobicContact CD2-CD1 4.29Å
51N83Confident91.4Very high140 Ų14048.4 Ų48.475%0.74924%0.241SC*.THydrogen-bonded Turntrans50.541.5-178.7-58.8-19.7000113.7Q53N51-Q53 PolarHBondContact O-N 2.81Å
52G79.4Confident91.3Very high58 Ų5843.6 Ų43.660%0.59823%0.23SC*.THydrogen-bonded Turntrans79.6-7.5179.600000115.6L50L50-G52 PolarHBondContact O-N 3.08Å
53Q81.6Confident91.2Very high145 Ų14548.6 Ų48.668%0.67825%0.248SC*.EExtended strand (participates in β ladder)trans-91.6130.5174-63.7-169.6-800110.3A49 L50 N51 V55A49-Q53 CarbonylContact C-O 3.6Å; A49-Q53 WeakPolarHBondContact CA-O 3.31Å; A49-Q53 WeakPolarHBondContact CB-O 3.37Å; L50-Q53 PolarHBondContact N-O 3.01Å; L50-Q53 PolarHBondContact O-N 3.36Å; N51-Q53 PolarHBondContact O-N 2.81Å; Q53-V55 HydrophobicContact CB-CG2 4.45Å; Q53-V55 WeakPolarHBondContact O-CG2 3.4Å; Q53-V55 PolarHBondContact O-N 2.94Å
54Y87Confident90.9Very high47 Ų4750 Ų5018%0.18426%0.257CS..EExtended strand (participates in β ladder)trans-67121.9174.2177.4-136.3000110.2H8 H9 D47 I56 E57H8-Y54 AromaticContact CE1-CD1 3.97Å; H8-Y54 AromaticContact CE1-CE1 3.92Å; H9-Y54 HydrophobicContact CB-CD1 4.08Å; H9-Y54 HydrophobicContact CB-CE1 3.64Å; H9-Y54 HydrophobicContact CB-CE2 4.32Å; H9-Y54 AromaticContact CG-CE1 3.69Å; H9-Y54 AromaticContact CG-CZ 3.89Å; H9-Y54 AromaticContact ND1-CE1 3.3Å; H9-Y54 VanDerWaalsContact ND1-CE1 3.3Å; H9-Y54 WeakPolarHBondContact ND1-CE1 3.38Å; H9-Y54 AromaticContact ND1-CZ 3.89Å; D47-Y54 HydrophobicContact CB-CD2 4.06Å; D47-Y54 HydrophobicContact CB-CE2 3.52Å; D47-Y54 PolarHBondContact OD1-OH 3.09Å; Y54-I56 WeakPolarHBondContact CE2-O 3.41Å; Y54-E57 VanDerWaalsContact OH-CB 3.23Å; Y54-E57 WeakPolarHBondContact OH-CB 3.42Å; Y54-E57 VanDerWaalsContact OH-CG 3.24Å; Y54-E57 WeakPolarHBondContact OH-CG 3.18Å; Y54-E57 PolarHBondContact OH-OE2 3.43Å
55V87.7Confident90.3Very high36 Ų3650.9 Ų50.922%0.21828%0.275CS..EExtended strand (participates in β ladder)trans-130.1-42.4-174.4-177.60000112.9H9 I10 F30 L48 L50 Q53H9-V55 CarbonylContact C-O 3.51Å; H9-V55 WeakPolarHBondContact CA-O 3.46Å; H9-V55 WeakPolarHBondContact CB-O 3.27Å; I10-V55 PolarHBondContact N-O 2.87Å; F30-V55 HydrophobicContact CE1-CB 4.3Å; L48-V55 PolarHBondContact O-N 2.79Å; L50-V55 HydrophobicContact CB-CG2 4.08Å; Q53-V55 HydrophobicContact CB-CG2 4.45Å; Q53-V55 WeakPolarHBondContact O-CG2 3.4Å; Q53-V55 PolarHBondContact O-N 2.94Å
56I94.2Very high89.6Confident1 Ų157.3 Ų57.31%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-117.9129.9-174.3-64.8174.8000110.6I10 I12 Y24 F30 L48 Y54 L58 F81I10-I56 WeakPolarHBondContact O-CA 3.34Å; I12-I56 HydrophobicContact CB-CG2 4.4Å; I12-I56 HydrophobicContact CD1-CD1 3.97Å; I12-I56 HydrophobicContact CD1-CG1 4.23Å; I12-I56 HydrophobicContact CD1-CG2 3.73Å; I12-I56 HydrophobicContact CG1-CG2 4.06Å; Y24-I56 HydrophobicContact CD1-CD1 3.77Å; Y24-I56 HydrophobicContact CE1-CD1 3.67Å; F30-I56 HydrophobicContact CD1-CD1 4.26Å; F30-I56 HydrophobicContact CE1-CD1 3.53Å; F30-I56 HydrophobicContact CE1-CG1 3.92Å; F30-I56 HydrophobicContact CE2-CD1 4.37Å; F30-I56 HydrophobicContact CZ-CD1 3.61Å; F30-I56 HydrophobicContact CZ-CG1 4.41Å; L48-I56 HydrophobicContact CB-CB 4.07Å; L48-I56 HydrophobicContact CD1-CB 4.32Å; L48-I56 HydrophobicContact CD1-CG2 4.02Å; L48-I56 HydrophobicContact CG-CG2 4.48Å; L48-I56 PolarHBondContact N-O 2.76Å; L48-I56 PolarHBondContact O-N 2.78Å; Y54-I56 WeakPolarHBondContact CE2-O 3.41Å; I56-L58 HydrophobicContact CG2-CB 4.48Å; I56-F81 HydrophobicContact CD1-CZ 4.2Å
57E96.2Very high88.6Confident28 Ų2860.5 Ų60.513%0.13132%0.318CS..EExtended strand (participates in β ladder)trans-102.4101167.9-161.9167.97600108.5H9 I10 A11 I12 K45 G46 Y54 F59H9-E57 IonicContact NE2-OE1 3.23Å; I10-E57 PolarHBondContact O-N 2.94Å; A11-E57 CarbonylContact C-O 3.53Å; A11-E57 WeakPolarHBondContact CA-O 3.29Å; A11-E57 HydrophobicContact CB-CB 4.39Å; I12-E57 PolarHBondContact N-O 3.46Å; K45-E57 VanDerWaalsContact CE-CD 3.41Å; K45-E57 WeakPolarHBondContact CE-OE2 3.45Å; K45-E57 HydrophobicContact CG-CG 4.29Å; K45-E57 IonicContact NZ-OE2 3.25Å; K45-E57 PolarHBondContact NZ-OE2 3.5Å; G46-E57 CarbonylContact O-C 3.55Å; Y54-E57 VanDerWaalsContact OH-CB 3.23Å; Y54-E57 WeakPolarHBondContact OH-CB 3.42Å; Y54-E57 VanDerWaalsContact OH-CG 3.24Å; Y54-E57 WeakPolarHBondContact OH-CG 3.18Å; Y54-E57 PolarHBondContact OH-OE2 3.43Å; E57-F59 HydrophobicContact CB-CE2 4.22Å; E57-F59 VanDerWaalsContact CD-CZ 3.43Å; E57-F59 HydrophobicContact CG-CD2 4.34Å; E57-F59 HydrophobicContact CG-CE1 4.31Å; E57-F59 HydrophobicContact CG-CE2 3.58Å; E57-F59 HydrophobicContact CG-CZ 3.59Å; E57-F59 WeakPolarHBondContact OE1-CE2 3.36Å; E57-F59 WeakPolarHBondContact OE1-CZ 3.16Å
58L96.2Very high87.3Confident0 Ų065.4 Ų65.40%035%0.352CS..EExtended strand (participates in β ladder)trans-88.7117.6-177.5-171.467.4000110.3I12 A14 Y17 K21 Y24 K45 G46 L48 I56I12-L58 HydrophobicContact CB-CD1 4.17Å; I12-L58 HydrophobicContact CG2-CD1 4.11Å; A14-L58 HydrophobicContact CB-CD1 4.07Å; Y17-L58 HydrophobicContact CD2-CD2 4.13Å; Y17-L58 HydrophobicContact CD2-CG 4.25Å; Y17-L58 HydrophobicContact CE2-CB 4.38Å; Y17-L58 HydrophobicContact CE2-CD2 3.98Å; Y17-L58 HydrophobicContact CE2-CG 4.13Å; K21-L58 HydrophobicContact CB-CD2 4.25Å; Y24-L58 HydrophobicContact CD2-CD1 4.23Å; Y24-L58 HydrophobicContact CD2-CD2 4.37Å; Y24-L58 HydrophobicContact CE2-CD1 4.05Å; K45-L58 CarbonylContact C-O 3.43Å; K45-L58 WeakPolarHBondContact CA-O 3.35Å; G46-L58 PolarHBondContact N-O 3.06Å; G46-L58 PolarHBondContact O-N 2.95Å; L48-L58 HydrophobicContact CD1-CB 4.14Å; L48-L58 HydrophobicContact CD1-CD2 4.37Å; L48-L58 HydrophobicContact CG-CB 4.47Å; I56-L58 HydrophobicContact CG2-CB 4.48Å
59F95.1Very high85.9Confident22 Ų2267.6 Ų67.610%0.09637%0.367CS..EExtended strand (participates in β ladder)trans-109.5153.7175.9-69.5-66.6000111.7A11 I12 I13 A14 R38 W44 K45 E57 F61A11-F59 HydrophobicContact CB-CD2 4.27Å; A11-F59 HydrophobicContact CB-CE2 4.06Å; I12-F59 PolarHBondContact O-N 2.87Å; I13-F59 CarbonylContact C-O 3.54Å; I13-F59 WeakPolarHBondContact CA-O 3.49Å; I13-F59 HydrophobicContact CG1-CB 4.39Å; A14-F59 PolarHBondContact N-O 3.45Å; R38-F59 VanDerWaalsContact CZ-CD1 3.45Å; R38-F59 VanDerWaalsContact CZ-CE1 3.4Å; W44-F59 VanDerWaalsContact O-CA 3.31Å; W44-F59 WeakPolarHBondContact O-CA 3.32Å; K45-F59 HydrophobicContact CB-CD1 3.88Å; K45-F59 HydrophobicContact CB-CE1 3.68Å; K45-F59 HydrophobicContact CD-CE1 3.75Å; K45-F59 HydrophobicContact CD-CZ 4.26Å; K45-F59 HydrophobicContact CG-CD1 4.03Å; K45-F59 HydrophobicContact CG-CE1 3.43Å; K45-F59 VanDerWaalsContact CG-CE1 3.43Å; K45-F59 HydrophobicContact CG-CZ 4.14Å; E57-F59 HydrophobicContact CB-CE2 4.22Å; E57-F59 VanDerWaalsContact CD-CZ 3.43Å; E57-F59 HydrophobicContact CG-CD2 4.34Å; E57-F59 HydrophobicContact CG-CE1 4.31Å; E57-F59 HydrophobicContact CG-CE2 3.58Å; E57-F59 HydrophobicContact CG-CZ 3.59Å; E57-F59 WeakPolarHBondContact OE1-CE2 3.36Å; E57-F59 WeakPolarHBondContact OE1-CZ 3.16Å; F59-F61 HydrophobicContact CB-CE2 3.98Å; F59-F61 HydrophobicContact CB-CZ 4.48Å
60S93.2Very high84.6Confident12 Ų1275.5 Ų75.58%0.08440%0.396CS..EExtended strand (participates in β ladder)trans-120.4157.6157.465.60000110.7A14 S43 W44A14-S60 WeakPolarHBondContact O-CA 3.25Å; S43-S60 WeakPolarHBondContact CA-O 3.47Å; S43-S60 WeakPolarHBondContact CB-O 3.33Å; W44-S60 PolarHBondContact N-OG 2.75Å; W44-S60 PolarHBondContact O-N 3.39Å; W44-S60 VanDerWaalsContact O-N 3.09Å
61F90.3Very high83.2Confident56 Ų5678 Ų7825%0.24642%0.416CS..  trans-138.6159.8167.7-66.1-78.3000108.2I13 F59 F63 P64I13-F61 HydrophobicContact CD1-CD2 4.19Å; I13-F61 HydrophobicContact CD1-CE2 3.9Å; I13-F61 HydrophobicContact CG1-CD2 4.35Å; I13-F61 HydrophobicContact CG1-CE2 4.05Å; I13-F61 HydrophobicContact CG2-CD2 3.76Å; I13-F61 HydrophobicContact CG2-CE2 4.3Å; F59-F61 HydrophobicContact CB-CE2 3.98Å; F59-F61 HydrophobicContact CB-CZ 4.48Å; F61-F63 VanDerWaalsContact C-N 3.26Å; F61-F63 PolarHBondContact O-N 2.76Å; F61-P64 HydrophobicContact CB-CB 4.49Å; F61-P64 WeakPolarHBondContact O-CD 3.31Å
62P87.8Confident82.4Confident58 Ų5877.2 Ų77.238%0.37741%0.408SS..SBendtrans-64.8-30.6-177.9-2536.5000113.5D42D42-P62 HydrophobicContact CB-CG 3.7Å; D42-P62 VanDerWaalsContact O-CD 3.29Å; D42-P62 WeakPolarHBondContact O-CD 3.22Å; D42-P62 WeakPolarHBondContact O-CG 3.43Å; D42-P62 VanDerWaalsContact OD2-CG 3.31Å; D42-P62 WeakPolarHBondContact OD2-CG 3.41Å
63F88.9Confident81.7Confident193 Ų19375.8 Ų75.885%0.84639%0.39SS*.SBendtrans-141.767.6-178.3-51-73.6000110.3F61F61-F63 VanDerWaalsContact C-N 3.26Å; F61-F63 PolarHBondContact O-N 2.76Å
64P87.6Confident81.2Confident28 Ų2875.7 Ų75.718%0.18240%0.404CS..PPolyproline II helixtrans-69.3139.8179.731.9-30.4000109I13 T15 F61I13-P64 HydrophobicContact CG2-CB 3.51Å; I13-P64 HydrophobicContact CG2-CG 4.43Å; T15-P64 HydrophobicContact CG2-CG 3.78Å; F61-P64 HydrophobicContact CB-CB 4.49Å; F61-P64 WeakPolarHBondContact O-CD 3.31Å
65P84.1Confident80.6Confident117 Ų11776.8 Ų76.876%0.7643%0.43SS*.PPolyproline II helixtrans-64140.5177.327.5-33.7000110.2
66E82Confident80.3Confident181 Ų18179.7 Ų79.785%0.84644%0.444SS*.PPolyproline II helixtrans-61.7149.1172.2-68.3-174.6178.100111P68E66-P68 WeakPolarHBondContact O-CD 2.81Å
67R74.7Confident79.7Confident68 Ų6884.8 Ų84.826%0.25746%0.463SS..PPolyproline II helixtrans-58.6122.5175.7-170.7176.2-171.1-129.64.5109.6S69 L76 R77R67-S69 VanDerWaalsContact C-N 3.26Å; R67-S69 PolarHBondContact O-N 2.85Å; R67-L76 PolarHBondContact NH2-O 2.76Å; R67-L76 VanDerWaalsContact NH2-O 3.15Å; R67-R77 PolarHBondContact NH2-O 3.02Å
68P70.8Confident79.3Confident130 Ų13085.4 Ų85.484%0.84447%0.466SS*.SBendtrans-60.1-22.2-169.5-28.234.6000117E66E66-P68 WeakPolarHBondContact O-CD 2.81Å
69S65.5Low79Confident45 Ų4586 Ų8632%0.31547%0.469SS..  trans-158.8158.7173.4660000114R67 E72 A73R67-S69 VanDerWaalsContact C-N 3.26Å; R67-S69 PolarHBondContact O-N 2.85Å; S69-E72 PolarHBondContact OG-O 3.27Å; S69-A73 WeakPolarHBondContact OG-CA 3.43Å; S69-A73 WeakPolarHBondContact OG-CB 3.15Å
70R64Low78.8Confident166 Ų16687.7 Ų87.763%0.62649%0.487SS*.SBendtrans-129.9154.5163.3-66.2-170.2-175.8172.27.6108.6G121R70-G121 VanDerWaalsContact NH2-CA 3.32Å
71P58.3Low78.7Confident106 Ų10688.6 Ų88.669%0.68849%0.489SS*.SBendcis-81.4-20.9-9.130.3-31.1000113.1
72E65.8Low78.3Confident124 Ų12490.3 Ų90.358%0.57951%0.508SS*.  trans-124.7124.7-173.3-60.9-173.5141.100110.5S69 R77S69-E72 PolarHBondContact OG-O 3.27Å; E72-R77 IonicContact OE1-CZ 3.96Å; E72-R77 IonicContact OE1-NE 2.75Å; E72-R77 PolarHBondContact OE1-NE 2.77Å; E72-R77 VanDerWaalsContact OE1-NE 3.15Å; E72-R77 IonicContact OE1-NH2 2.76Å; E72-R77 PolarHBondContact OE1-NH2 3.31Å
73A64.7Low77.9Confident28 Ų2889 Ų8923%0.23150%0.499CS..  trans-124145.9177.200000108.9S69 G75S69-A73 WeakPolarHBondContact OG-CA 3.43Å; S69-A73 WeakPolarHBondContact OG-CB 3.15Å; A73-G75 PolarHBondContact O-N 3.2Å
74C70.3Confident76.6Confident144 Ų14485.9 Ų85.997%0.97349%0.491SS*.SBendtrans-61.5124.3163.7-71.30000109.1
75G76.2Confident76.1Confident70 Ų7086.8 Ų86.872%0.72249%0.494SS*.SBendtrans128.4-145.3-176.400000112A73 R77A73-G75 PolarHBondContact O-N 3.2Å; G75-R77 PolarHBondContact O-N 3.15Å; G75-R77 VanDerWaalsContact O-N 3.09Å
76L79.9Confident76.2Confident97 Ų9781.2 Ų81.251%0.50846%0.458SS..  trans-69.6101.7172.7-178.165.8000109.7R67 L79R67-L76 PolarHBondContact NH2-O 2.76Å; R67-L76 VanDerWaalsContact NH2-O 3.15Å; L76-L79 HydrophobicContact CD1-CD2 3.92Å; L76-L79 HydrophobicContact CD2-CD2 4.08Å; L76-L79 HydrophobicContact CD2-CG 4.4Å; L76-L79 HydrophobicContact CG-CD2 4.49Å
77R81.4Confident76.5Confident107 Ų10775.9 Ų75.940%0.40444%0.435SS..  trans-67-48.4-179.6-175.9176176.4-102.19.2111.8R67 E72 G75R67-R77 PolarHBondContact NH2-O 3.02Å; E72-R77 IonicContact OE1-CZ 3.96Å; E72-R77 IonicContact OE1-NE 2.75Å; E72-R77 PolarHBondContact OE1-NE 2.77Å; E72-R77 VanDerWaalsContact OE1-NE 3.15Å; E72-R77 IonicContact OE1-NH2 2.76Å; E72-R77 PolarHBondContact OE1-NH2 3.31Å; G75-R77 PolarHBondContact O-N 3.15Å; G75-R77 VanDerWaalsContact O-N 3.09Å
78H89Confident77.1Confident42 Ų4275.2 Ų75.219%0.19445%0.445CS..  trans-165.2169.5-177.965.8-85.3000110.5F115 P123 E125H78-F115 HydrophobicContact CB-CE1 4Å; H78-F115 AromaticContact CD2-CE1 3.6Å; H78-F115 AromaticContact CE1-CZ 4Å; H78-F115 AromaticContact CG-CE1 3.64Å; H78-F115 AromaticContact ND1-CE1 3.93Å; H78-F115 AromaticContact NE2-CE1 3.86Å; H78-F115 AromaticContact NE2-CZ 3.86Å; H78-P123 WeakPolarHBondContact CA-O 3.39Å; H78-P123 HydrophobicContact CB-CB 3.87Å; H78-P123 VanDerWaalsContact CB-O 3.23Å; H78-P123 WeakPolarHBondContact CB-O 3.48Å; H78-E125 IonicContact CD2-OE2 2.72Å; H78-E125 PolarHBondContact CD2-OE2 2.79Å; H78-E125 IonicContact CE1-OE2 3.45Å; H78-E125 IonicContact NE2-OE2 3.64Å; H78-E125 PolarHBondContact NE2-OE2 2.83Å
79L90.5Very high78.1Confident12 Ų1270 Ų706%0.06341%0.412CS..EExtended strand (participates in β ladder)trans-110.8131.8167.8-63.1177.5000109.8I10 I12 L76 F81 L122 P123 L124 E125I10-L79 HydrophobicContact CD1-CD2 3.49Å; I10-L79 VanDerWaalsContact CD1-CD2 3.49Å; I10-L79 HydrophobicContact CG2-CD1 4.05Å; I10-L79 HydrophobicContact CG2-CD2 3.93Å; I12-L79 HydrophobicContact CD1-CD1 3.59Å; I12-L79 HydrophobicContact CG1-CD1 4.27Å; L76-L79 HydrophobicContact CD1-CD2 3.92Å; L76-L79 HydrophobicContact CD2-CD2 4.08Å; L76-L79 HydrophobicContact CD2-CG 4.4Å; L76-L79 HydrophobicContact CG-CD2 4.49Å; L79-F81 HydrophobicContact CB-CZ 4.45Å; L79-L122 HydrophobicContact CD1-CD2 3.83Å; L79-L122 HydrophobicContact CG-CD2 4.33Å; L79-P123 PolarHBondContact N-O 2.8Å; L79-P123 VanDerWaalsContact N-O 3.08Å; L79-L124 HydrophobicContact CB-CD2 3.76Å; L79-L124 HydrophobicContact CD1-CD2 4.35Å; L79-L124 HydrophobicContact CG-CD2 4.44Å; L79-L124 CarbonylContact O-C 3.55Å; L79-L124 WeakPolarHBondContact O-CA 3.18Å; L79-E125 PolarHBondContact O-N 3.44Å
80A90.7Very high79.4Confident58 Ų5868.5 Ų68.548%0.47940%0.401SS..EExtended strand (participates in β ladder)trans-109.8136.9-178.700000111.2E125A80-E125 CarbonylContact C-O 3.58Å; A80-E125 WeakPolarHBondContact CA-O 3.38Å; A80-E125 HydrophobicContact CB-CB 3.9Å; A80-E125 HydrophobicContact CB-CG 4.26Å; A80-E125 WeakPolarHBondContact CB-OE2 3.38Å
81F90.7Very high80.9Confident31 Ų3163.3 Ų63.314%0.13639%0.394CS..EExtended strand (participates in β ladder)trans-121.4139.9174.1-56.7-70.2000109.3F30 L50 I56 L79 L124 E125 L126 Y127F30-F81 HydrophobicContact CE2-CE1 4.34Å; F30-F81 HydrophobicContact CE2-CZ 4.38Å; F30-F81 HydrophobicContact CZ-CD1 4.36Å; F30-F81 AromaticContact CZ-CE1 3.64Å; F30-F81 HydrophobicContact CZ-CE1 3.64Å; F30-F81 AromaticContact CZ-CZ 3.91Å; F30-F81 HydrophobicContact CZ-CZ 3.91Å; L50-F81 HydrophobicContact CD2-CD1 4.29Å; I56-F81 HydrophobicContact CD1-CZ 4.2Å; L79-F81 HydrophobicContact CB-CZ 4.45Å; F81-L124 HydrophobicContact CE2-CD1 4.32Å; F81-L124 HydrophobicContact CE2-CD2 4.06Å; F81-E125 PolarHBondContact N-O 3.23Å; F81-L126 HydrophobicContact CB-CD2 4.24Å; F81-L126 CarbonylContact O-C 3.54Å; F81-L126 VanDerWaalsContact O-CA 3.31Å; F81-L126 WeakPolarHBondContact O-CA 3.45Å; F81-Y127 PolarHBondContact O-N 2.87Å
82S81Confident82.6Confident91 Ų9162.1 Ų62.164%0.63638%0.379SS*.EExtended strand (participates in β ladder)trans-83.5143.1174.353.20000111.3Y127S82-Y127 CarbonylContact C-O 3.53Å; S82-Y127 WeakPolarHBondContact CA-O 3.45Å
83V79.1Confident84.1Confident31 Ų3156.4 Ų56.419%0.18835%0.352CS..EExtended strand (participates in β ladder)trans-134.6152.5173.3-65.50000110.6I86 A89 L126 Y127 E128 H129V83-I86 HydrophobicContact CG2-CB 4.18Å; V83-I86 HydrophobicContact CG2-CG1 4.32Å; V83-A89 HydrophobicContact CB-CB 4.28Å; V83-A89 HydrophobicContact CG1-CB 4.11Å; V83-A89 HydrophobicContact CG2-CB 4.22Å; V83-L126 HydrophobicContact CG1-CB 4.45Å; V83-L126 HydrophobicContact CG1-CD1 4.24Å; V83-L126 HydrophobicContact CG1-CD2 3.88Å; V83-L126 HydrophobicContact CG1-CG 4.41Å; V83-L126 HydrophobicContact CG2-CB 4.01Å; V83-L126 HydrophobicContact CG2-CD1 4.47Å; V83-Y127 PolarHBondContact N-O 3.07Å; V83-E128 VanDerWaalsContact O-CA 3.31Å; V83-E128 WeakPolarHBondContact O-CA 3.42Å; V83-H129 PolarHBondContact O-N 2.76Å
84D62.9Low85.6Confident127 Ų12760.5 Ų60.568%0.67937%0.367SS*.SBendtrans-76.4-39.1179.6-62.6-30.7000112.4
85D75.9Confident86.9Confident47 Ų4757.4 Ų57.425%0.25135%0.347SS..  trans-134.1106.4-179.5-177.4-24.8000108.5D87 A88 A89 R282D85-D87 VanDerWaalsContact C-N 3.29Å; D85-D87 PolarHBondContact O-N 2.84Å; D85-D87 WeakPolarHBondContact OD1-CA 3.33Å; D85-D87 WeakPolarHBondContact OD1-CB 3.36Å; D85-D87 PolarHBondContact OD1-N 2.95Å; D85-A88 HydrophobicContact CB-CB 3.91Å; D85-A88 PolarHBondContact O-N 2.95Å; D85-A88 PolarHBondContact OD1-N 2.94Å; D85-A89 WeakPolarHBondContact O-CB 3.34Å; D85-A89 PolarHBondContact O-N 3.37Å; D85-R282 IonicContact OD2-NH1 3.01Å
86I86.7Confident87.8Confident0 Ų058 Ų580%033%0.33CS..Hα-helixtrans-70.5-26.4-178.1-160.8165000112.6V83 V90 I103 R112 T114 L126V83-I86 HydrophobicContact CG2-CB 4.18Å; V83-I86 HydrophobicContact CG2-CG1 4.32Å; I86-V90 WeakPolarHBondContact O-CB 3.47Å; I86-V90 WeakPolarHBondContact O-CG2 3.23Å; I86-V90 PolarHBondContact O-N 2.77Å; I86-I103 HydrophobicContact CD1-CG2 4.26Å; I86-I103 HydrophobicContact CG1-CG1 4.42Å; I86-I103 HydrophobicContact CG2-CD1 4.07Å; I86-I103 HydrophobicContact CG2-CG1 4.44Å; I86-I103 HydrophobicContact CG2-CG2 3.99Å; I86-R112 HydrophobicContact CD1-CB 4.44Å; I86-R112 HydrophobicContact CG2-CB 3.96Å; I86-T114 HydrophobicContact CD1-CG2 3.96Å; I86-T114 HydrophobicContact CG1-CG2 4.02Å; I86-L126 HydrophobicContact CD1-CB 4.33Å; I86-L126 HydrophobicContact CG1-CB 4.32Å
87D89.2Confident88.6Confident69 Ų6960.6 Ų60.637%0.36935%0.345SS..Hα-helixtrans-70.8-44.2176.2-63.3-60.6000110.5D85 V90 A91 I103 R112D85-D87 VanDerWaalsContact C-N 3.29Å; D85-D87 PolarHBondContact O-N 2.84Å; D85-D87 WeakPolarHBondContact OD1-CA 3.33Å; D85-D87 WeakPolarHBondContact OD1-CB 3.36Å; D85-D87 PolarHBondContact OD1-N 2.95Å; D87-V90 PolarHBondContact O-N 2.73Å; D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 2.79Å; D87-I103 VanDerWaalsContact OD1-CD1 3.29Å; D87-I103 WeakPolarHBondContact OD1-CD1 3.34Å; D87-R112 IonicContact OD1-CZ 3.86Å; D87-R112 IonicContact OD1-NH2 3.57Å; D87-R112 PolarHBondContact OD1-NH2 3.17Å; D87-R112 IonicContact OD2-CZ 3.71Å; D87-R112 VanDerWaalsContact OD2-CZ 3.25Å; D87-R112 IonicContact OD2-NH1 3Å; D87-R112 PolarHBondContact OD2-NH1 2.9Å; D87-R112 IonicContact OD2-NH2 2.68Å; D87-R112 PolarHBondContact OD2-NH2 3.09Å
88A86.8Confident89.3Confident55 Ų5556.4 Ų56.446%0.45533%0.331SS..Hα-helixtrans-64.3-41.5175.600000111.6D85 A91 H92D85-A88 HydrophobicContact CB-CB 3.91Å; D85-A88 PolarHBondContact O-N 2.95Å; D85-A88 PolarHBondContact OD1-N 2.94Å; A88-A91 PolarHBondContact O-N 2.8Å; A88-H92 WeakPolarHBondContact O-CB 3.23Å; A88-H92 PolarHBondContact O-N 3.27Å
89A90.7Very high89.6Confident19 Ų1963.3 Ų63.316%0.15736%0.361CS..Hα-helixtrans-65.5-41.9177.300000112V83 D85 H92 L93 L126V83-A89 HydrophobicContact CB-CB 4.28Å; V83-A89 HydrophobicContact CG1-CB 4.11Å; V83-A89 HydrophobicContact CG2-CB 4.22Å; D85-A89 WeakPolarHBondContact O-CB 3.34Å; D85-A89 PolarHBondContact O-N 3.37Å; A89-H92 PolarHBondContact O-N 2.91Å; A89-L93 WeakPolarHBondContact O-CB 3.2Å; A89-L93 VanDerWaalsContact O-CG 3.31Å; A89-L93 WeakPolarHBondContact O-CG 3.35Å; A89-L93 PolarHBondContact O-N 2.81Å; A89-L126 HydrophobicContact CB-CD1 3.53Å
90V94.7Very high89.8Confident15 Ų1564 Ų649%0.09137%0.366CS..Hα-helixtrans-62-46.1173168.10000111I86 D87 H92 L93 E94 C100 I103 T114I86-V90 WeakPolarHBondContact O-CB 3.47Å; I86-V90 WeakPolarHBondContact O-CG2 3.23Å; I86-V90 PolarHBondContact O-N 2.77Å; D87-V90 PolarHBondContact O-N 2.73Å; V90-H92 VanDerWaalsContact C-N 3.31Å; V90-H92 PolarHBondContact O-N 3.22Å; V90-L93 PolarHBondContact O-N 2.75Å; V90-E94 HydrophobicContact CG1-CG 4.2Å; V90-E94 WeakPolarHBondContact O-CB 3.45Å; V90-E94 WeakPolarHBondContact O-CG 3.31Å; V90-E94 PolarHBondContact O-N 3.05Å; V90-C100 HydrophobicContact CG1-CB 4.08Å; V90-C100 HydrophobicContact CG2-CB 4.12Å; V90-I103 HydrophobicContact CG2-CD1 4.15Å; V90-I103 HydrophobicContact CG2-CG1 4.18Å; V90-T114 HydrophobicContact CG2-CG2 3.65Å
91A94.5Very high90.1Very high56 Ų5666 Ų6646%0.46337%0.366SS..Hα-helixtrans-61.1-39.417800000112.5D87 A88 S95D87-A91 WeakPolarHBondContact O-CB 3.2Å; D87-A91 PolarHBondContact O-N 2.79Å; A88-A91 PolarHBondContact O-N 2.8Å; A91-S95 WeakPolarHBondContact O-CB 3.36Å; A91-S95 PolarHBondContact O-N 2.88Å
92H95.1Very high90.3Very high81 Ų8168.4 Ų68.438%0.37539%0.391SS..Hα-helixtrans-63.2-46.8174177.475.7000111.7I27 A88 A89 V90 S95 H96I27-H92 PolarHBondContact O-NE2 2.92Å; A88-H92 WeakPolarHBondContact O-CB 3.23Å; A88-H92 PolarHBondContact O-N 3.27Å; A89-H92 PolarHBondContact O-N 2.91Å; V90-H92 VanDerWaalsContact C-N 3.31Å; V90-H92 PolarHBondContact O-N 3.22Å; H92-S95 PolarHBondContact O-N 3.08Å; H92-S95 PolarHBondContact O-OG 2.85Å; H92-H96 AromaticContact CE1-CE1 3.3Å; H92-H96 PolarHBondContact CE1-CE1 3Å; H92-H96 AromaticContact CE1-ND1 3.73Å; H92-H96 AromaticContact ND1-CE1 3.65Å; H92-H96 AromaticContact ND1-ND1 3.9Å; H92-H96 AromaticContact NE2-CE1 3.88Å; H92-H96 AromaticContact NE2-ND1 3.96Å; H92-H96 PolarHBondContact O-N 2.78Å; H92-H96 PolarHBondContact O-ND1 3.03Å
93L96.9Very high90.9Very high4 Ų466.8 Ų66.82%0.02137%0.374CS..Hα-helixtrans-60.6-46.4176.2-73.7175.5000111.8I27 L28 A89 V90 S95 H96 N97 V98 C100 F116 L126I27-L93 HydrophobicContact CG2-CD2 3.84Å; L28-L93 HydrophobicContact CD2-CD2 3.96Å; A89-L93 WeakPolarHBondContact O-CB 3.2Å; A89-L93 VanDerWaalsContact O-CG 3.31Å; A89-L93 WeakPolarHBondContact O-CG 3.35Å; A89-L93 PolarHBondContact O-N 2.81Å; V90-L93 PolarHBondContact O-N 2.75Å; L93-S95 VanDerWaalsContact C-N 3.32Å; L93-S95 PolarHBondContact O-N 3.15Å; L93-H96 CarbonylContact O-C 3.41Å; L93-H96 WeakPolarHBondContact O-CA 3.33Å; L93-H96 PolarHBondContact O-N 3.15Å; L93-N97 PolarHBondContact O-N 2.82Å; L93-V98 CarbonylContact C-O 3.47Å; L93-V98 HydrophobicContact CB-CB 4.05Å; L93-V98 HydrophobicContact CB-CG1 4.39Å; L93-V98 HydrophobicContact CD2-CB 4.2Å; L93-V98 HydrophobicContact CD2-CG1 4.17Å; L93-V98 HydrophobicContact CD2-CG2 4.39Å; L93-V98 WeakPolarHBondContact O-CB 3.02Å; L93-V98 PolarHBondContact O-N 3.26Å; L93-C100 VanDerWaalsContact CD1-SG 3.54Å; L93-F116 HydrophobicContact CD1-CD1 4.16Å; L93-F116 HydrophobicContact CD1-CD2 4.01Å; L93-F116 HydrophobicContact CD1-CE1 4.32Å; L93-F116 HydrophobicContact CD1-CE2 4.11Å; L93-F116 HydrophobicContact CD1-CG 4.01Å; L93-F116 HydrophobicContact CD1-CZ 4.28Å; L93-F116 HydrophobicContact CD2-CD2 4.35Å; L93-F116 HydrophobicContact CD2-CE2 4.13Å; L93-L126 HydrophobicContact CD1-CD1 3.8Å
94E96.3Very high91.5Very high115 Ų11570.5 Ų70.554%0.53739%0.385SS..Hα-helixtrans-62.8-37.1177.9-73-178.4161.500112.1V90 H96 N97V90-E94 HydrophobicContact CG1-CG 4.2Å; V90-E94 WeakPolarHBondContact O-CB 3.45Å; V90-E94 WeakPolarHBondContact O-CG 3.31Å; V90-E94 PolarHBondContact O-N 3.05Å; E94-H96 PolarHBondContact O-N 3.22Å; E94-N97 PolarHBondContact O-N 2.83Å
95S96.5Very high92.4Very high79 Ų7968.1 Ų68.155%0.55238%0.375SS*.Hα-helixtrans-64.2-22.3174.578.30000113.6A91 H92 L93A91-S95 WeakPolarHBondContact O-CB 3.36Å; A91-S95 PolarHBondContact O-N 2.88Å; H92-S95 PolarHBondContact O-N 3.08Å; H92-S95 PolarHBondContact O-OG 2.85Å; L93-S95 VanDerWaalsContact C-N 3.32Å; L93-S95 PolarHBondContact O-N 3.15Å
96H96.4Very high92.5Very high81 Ų8167.5 Ų67.538%0.37537%0.372SS..THydrogen-bonded Turntrans-98.217.4173-66.182.3000112.8I27 H92 L93 E94 V98I27-H96 HydrophobicContact CD1-CB 3.92Å; I27-H96 HydrophobicContact CG1-CB 4.13Å; I27-H96 HydrophobicContact CG2-CB 4.07Å; H92-H96 AromaticContact CE1-CE1 3.3Å; H92-H96 PolarHBondContact CE1-CE1 3Å; H92-H96 AromaticContact CE1-ND1 3.73Å; H92-H96 AromaticContact ND1-CE1 3.65Å; H92-H96 AromaticContact ND1-ND1 3.9Å; H92-H96 AromaticContact NE2-CE1 3.88Å; H92-H96 AromaticContact NE2-ND1 3.96Å; H92-H96 PolarHBondContact O-N 2.78Å; H92-H96 PolarHBondContact O-ND1 3.03Å; L93-H96 CarbonylContact O-C 3.41Å; L93-H96 WeakPolarHBondContact O-CA 3.33Å; L93-H96 PolarHBondContact O-N 3.15Å; E94-H96 PolarHBondContact O-N 3.22Å; H96-V98 PolarHBondContact O-N 3.41Å
97N95.4Very high91.7Very high153 Ų15371.9 Ų71.982%0.81840%0.4SS*.THydrogen-bonded Turntrans61.123.8-178.4-57.2-73.9000114.7L93 E94L93-N97 PolarHBondContact O-N 2.82Å; E94-N97 PolarHBondContact O-N 2.83Å
98V96Very high90.5Very high18 Ų1878.8 Ų78.811%0.10942%0.423CS..PPolyproline II helixtrans-89.6120.8172.9-177.20000108.8F23 I27 L93 H96 F116F23-V98 HydrophobicContact CD2-CG2 4.37Å; F23-V98 HydrophobicContact CE2-CG1 4.25Å; F23-V98 HydrophobicContact CE2-CG2 3.86Å; I27-V98 HydrophobicContact CD1-CG2 4.26Å; I27-V98 HydrophobicContact CG2-CG2 4.47Å; L93-V98 CarbonylContact C-O 3.47Å; L93-V98 HydrophobicContact CB-CB 4.05Å; L93-V98 HydrophobicContact CB-CG1 4.39Å; L93-V98 HydrophobicContact CD2-CB 4.2Å; L93-V98 HydrophobicContact CD2-CG1 4.17Å; L93-V98 HydrophobicContact CD2-CG2 4.39Å; L93-V98 WeakPolarHBondContact O-CB 3.02Å; L93-V98 PolarHBondContact O-N 3.26Å; H96-V98 PolarHBondContact O-N 3.41Å; V98-F116 HydrophobicContact CG1-CB 4.33Å; V98-F116 HydrophobicContact CG1-CD2 3.86Å
99K95.4Very high89.6Confident188 Ų18879.1 Ų79.182%0.81742%0.419SS*.PPolyproline II helixtrans-80126179.1-66.3-176.7-179.6179.70110.8
100C95.7Very high88.4Confident26 Ų2682.5 Ų82.518%0.17643%0.432CS..BIsolated β-bridgetrans-100.7148.4171.8-60.50000111.1V90 L93V90-C100 HydrophobicContact CG1-CB 4.08Å; V90-C100 HydrophobicContact CG2-CB 4.12Å; L93-C100 VanDerWaalsContact CD1-SG 3.54Å
101E95.4Very high87.1Confident101 Ų10184.2 Ų84.247%0.47244%0.438SS..PPolyproline II helixtrans-68.3166.9164.3-68.3-174.3-165.500110.4I103 R104 T114 F115E101-I103 PolarHBondContact O-N 2.85Å; E101-R104 IonicContact OE2-CZ 2.71Å; E101-R104 IonicContact OE2-NH1 2.91Å; E101-R104 IonicContact OE2-NH2 3.39Å; E101-R104 PolarHBondContact OE2-NH2 2.91Å; E101-T114 PolarHBondContact O-OG1 2.79Å; E101-F115 HydrophobicContact CB-CB 4.38Å; E101-F115 HydrophobicContact CG-CB 4.13Å; E101-F115 PolarHBondContact N-O 2.92Å
102A95Very high86.7Confident81 Ų8184.2 Ų84.267%0.66943%0.426SS*.PPolyproline II helixtrans-60.4136.5172.600000110.3R104A102-R104 PolarHBondContact O-N 2.98Å
103I93.5Very high86.5Confident56 Ų5681.4 Ų81.429%0.28741%0.413SS..PPolyproline II helixtrans-62.2124.5174.1-62160.6000108.6I86 D87 V90 E101 R112 F113I86-I103 HydrophobicContact CD1-CG2 4.26Å; I86-I103 HydrophobicContact CG1-CG1 4.42Å; I86-I103 HydrophobicContact CG2-CD1 4.07Å; I86-I103 HydrophobicContact CG2-CG1 4.44Å; I86-I103 HydrophobicContact CG2-CG2 3.99Å; D87-I103 VanDerWaalsContact OD1-CD1 3.29Å; D87-I103 WeakPolarHBondContact OD1-CD1 3.34Å; V90-I103 HydrophobicContact CG2-CD1 4.15Å; V90-I103 HydrophobicContact CG2-CG1 4.18Å; E101-I103 PolarHBondContact O-N 2.85Å; I103-R112 HydrophobicContact CG2-CB 4.05Å; I103-F113 WeakPolarHBondContact CA-O 3.26Å
104R92.1Very high86.4Confident109 Ų10981.2 Ų81.241%0.41141%0.412SS..EExtended strand (participates in β ladder)trans-112.6165.3178.3-70.9178.4-71-159.4-14.4109.8E101 A102 R112 F113E101-R104 IonicContact OE2-CZ 2.71Å; E101-R104 IonicContact OE2-NH1 2.91Å; E101-R104 IonicContact OE2-NH2 3.39Å; E101-R104 PolarHBondContact OE2-NH2 2.91Å; A102-R104 PolarHBondContact O-N 2.98Å; R104-R112 CarbonylContact O-C 3.37Å; R104-R112 VanDerWaalsContact O-CA 3.26Å; R104-R112 WeakPolarHBondContact O-CA 3.35Å; R104-F113 HydrophobicContact CB-CD1 4.28Å; R104-F113 HydrophobicContact CB-CE1 3.7Å; R104-F113 HydrophobicContact CB-CE2 3.98Å; R104-F113 HydrophobicContact CB-CZ 3.54Å; R104-F113 HydrophobicContact CG-CZ 4.44Å; R104-F113 PolarHBondContact N-O 2.85Å; R104-F113 PolarHBondContact O-N 2.99Å
105V82.1Confident86.4Confident77 Ų7776.7 Ų76.747%0.46739%0.39SS..EExtended strand (participates in β ladder)trans-114128.2171.8-179.70000108K111 R112V105-K111 WeakPolarHBondContact CA-O 3.11Å; V105-R112 HydrophobicContact CG2-CG 4.15Å
106D77.1Confident86.3Confident34 Ų3473 Ų7318%0.18237%0.365CS..  trans-70.2123.1176.9176.9-41.3000108.7Y108 T109 Q110 K111 F113 Y127D106-Y108 PolarHBondContact O-N 3.4Å; D106-Y108 WeakPolarHBondContact OD1-CA 3.5Å; D106-Y108 WeakPolarHBondContact OD1-CB 3.4Å; D106-Y108 PolarHBondContact OD1-N 3.41Å; D106-T109 VanDerWaalsContact CB-OG1 3.24Å; D106-T109 WeakPolarHBondContact CB-OG1 3.49Å; D106-T109 VanDerWaalsContact CG-OG1 3.27Å; D106-T109 PolarHBondContact OD1-N 3.27Å; D106-Q110 WeakPolarHBondContact O-CA 3.32Å; D106-Q110 PolarHBondContact O-N 2.86Å; D106-K111 PolarHBondContact N-O 3.03Å; D106-F113 HydrophobicContact CB-CD1 3.92Å; D106-F113 HydrophobicContact CB-CE1 3.85Å; D106-Y127 HydrophobicContact CB-CE2 4.45Å; D106-Y127 PolarHBondContact OD2-OH 2.88Å
107P70.1Confident86.2Confident93 Ų9372.2 Ų72.260%0.60436%0.363SS*.THydrogen-bonded Turntrans-67.1-19.5-173.526.6-33.9000113.6Q110P107-Q110 PolarHBondContact O-NE2 3.39Å
108Y65.2Low86.1Confident213 Ų21365.3 Ų65.384%0.83533%0.326SS*.THydrogen-bonded Turntrans-97.6-39.1-177.8-59.8-74.7000112.5D106D106-Y108 PolarHBondContact O-N 3.4Å; D106-Y108 WeakPolarHBondContact OD1-CA 3.5Å; D106-Y108 WeakPolarHBondContact OD1-CB 3.4Å; D106-Y108 PolarHBondContact OD1-N 3.41Å
109T67.1Low85.9Confident63 Ų6367.4 Ų67.439%0.38734%0.34SS..THydrogen-bonded Turntrans-95.3-14.5179.271.50000113.2D106 K111 Y127D106-T109 VanDerWaalsContact CB-OG1 3.24Å; D106-T109 WeakPolarHBondContact CB-OG1 3.49Å; D106-T109 VanDerWaalsContact CG-OG1 3.27Å; D106-T109 PolarHBondContact OD1-N 3.27Å; T109-K111 PolarHBondContact O-N 3.35Å; T109-K111 VanDerWaalsContact O-N 3.14Å; T109-K111 WeakPolarHBondContact OG1-CB 3.29Å; T109-K111 PolarHBondContact OG1-N 3.44Å; T109-Y127 WeakPolarHBondContact CB-OH 3.39Å; T109-Y127 VanDerWaalsContact CG2-OH 3.26Å; T109-Y127 WeakPolarHBondContact CG2-OH 3.26Å; T109-Y127 PolarHBondContact OG1-OH 2.82Å
110Q66.1Low85.7Confident90 Ų9060.3 Ų60.342%0.42131%0.311SS..  trans57.615.9-171.8-61-65.3-51.100113.8D106 P107 L277D106-Q110 WeakPolarHBondContact O-CA 3.32Å; D106-Q110 PolarHBondContact O-N 2.86Å; P107-Q110 PolarHBondContact O-NE2 3.39Å; Q110-L277 HydrophobicContact CB-CD1 3.82Å; Q110-L277 WeakPolarHBondContact O-CD1 3.49Å
111K66.7Low85.4Confident51 Ų5159.2 Ų59.222%0.22230%0.304CS..  trans-88.3144.2179.6-73.1170.3171.3175.10111.2V105 D106 T109 Y127 E128 H129V105-K111 WeakPolarHBondContact CA-O 3.11Å; D106-K111 PolarHBondContact N-O 3.03Å; T109-K111 PolarHBondContact O-N 3.35Å; T109-K111 VanDerWaalsContact O-N 3.14Å; T109-K111 WeakPolarHBondContact OG1-CB 3.29Å; T109-K111 PolarHBondContact OG1-N 3.44Å; K111-Y127 HydrophobicContact CB-CD1 4.16Å; K111-Y127 HydrophobicContact CB-CE1 3.61Å; K111-Y127 HydrophobicContact CD-CD1 3.89Å; K111-Y127 HydrophobicContact CD-CE1 3.34Å; K111-Y127 HydrophobicContact CG-CE1 4.13Å; K111-E128 WeakPolarHBondContact CD-O 3.25Å; K111-H129 PolarHBondContact NZ-CD2 3.09Å; K111-H129 PolarHBondContact NZ-NE2 3.28Å
112R86.1Confident85.1Confident55 Ų5555.5 Ų55.521%0.20829%0.287CS..EExtended strand (participates in β ladder)trans-74.5137.6174-62.3175.764-161.16.5109.2I86 D87 I103 R104 V105 E128I86-R112 HydrophobicContact CD1-CB 4.44Å; I86-R112 HydrophobicContact CG2-CB 3.96Å; D87-R112 IonicContact OD1-CZ 3.86Å; D87-R112 IonicContact OD1-NH2 3.57Å; D87-R112 PolarHBondContact OD1-NH2 3.17Å; D87-R112 IonicContact OD2-CZ 3.71Å; D87-R112 VanDerWaalsContact OD2-CZ 3.25Å; D87-R112 IonicContact OD2-NH1 3Å; D87-R112 PolarHBondContact OD2-NH1 2.9Å; D87-R112 IonicContact OD2-NH2 2.68Å; D87-R112 PolarHBondContact OD2-NH2 3.09Å; I103-R112 HydrophobicContact CG2-CB 4.05Å; R104-R112 CarbonylContact O-C 3.37Å; R104-R112 VanDerWaalsContact O-CA 3.26Å; R104-R112 WeakPolarHBondContact O-CA 3.35Å; V105-R112 HydrophobicContact CG2-CG 4.15Å; R112-E128 HydrophobicContact CB-CB 4.07Å; R112-E128 VanDerWaalsContact CD-OE2 3.28Å; R112-E128 WeakPolarHBondContact CD-OE2 3.38Å; R112-E128 IonicContact NH1-OE1 3.89Å; R112-E128 PolarHBondContact NH1-OE1 3.46Å; R112-E128 WeakPolarHBondContact O-CB 3.28Å; R112-E128 PolarHBondContact O-N 3.34Å
113F91.8Very high84.9Confident23 Ų2352.3 Ų52.310%0.10126%0.26CS..EExtended strand (participates in β ladder)trans-146.3155.9176.772.3-86.2000111I103 R104 D106 F115 E125 L126 Y127I103-F113 WeakPolarHBondContact CA-O 3.26Å; R104-F113 HydrophobicContact CB-CD1 4.28Å; R104-F113 HydrophobicContact CB-CE1 3.7Å; R104-F113 HydrophobicContact CB-CE2 3.98Å; R104-F113 HydrophobicContact CB-CZ 3.54Å; R104-F113 HydrophobicContact CG-CZ 4.44Å; R104-F113 PolarHBondContact N-O 2.85Å; R104-F113 PolarHBondContact O-N 2.99Å; D106-F113 HydrophobicContact CB-CD1 3.92Å; D106-F113 HydrophobicContact CB-CE1 3.85Å; F113-F115 AromaticContact CD2-CD2 3.91Å; F113-F115 HydrophobicContact CD2-CD2 3.91Å; F113-F115 AromaticContact CD2-CE2 3.59Å; F113-F115 HydrophobicContact CD2-CE2 3.59Å; F113-F115 AromaticContact CE2-CD2 3.94Å; F113-F115 HydrophobicContact CE2-CD2 3.94Å; F113-F115 AromaticContact CE2-CE2 3.52Å; F113-F115 HydrophobicContact CE2-CE2 3.52Å; F113-E125 HydrophobicContact CB-CG 4.38Å; F113-E125 VanDerWaalsContact CD2-OE1 3.32Å; F113-E125 WeakPolarHBondContact CD2-OE1 3.43Å; F113-L126 CarbonylContact C-O 3.59Å; F113-L126 WeakPolarHBondContact CA-O 3.45Å; F113-L126 WeakPolarHBondContact CB-O 3.31Å; F113-Y127 HydrophobicContact CB-CD2 3.37Å; F113-Y127 HydrophobicContact CB-CE2 3.74Å; F113-Y127 HydrophobicContact CB-CG 4.32Å; F113-Y127 HydrophobicContact CD1-CE2 4.19Å; F113-Y127 HydrophobicContact CG-CD2 4.19Å; F113-Y127 HydrophobicContact CG-CE2 4.12Å
114T95.3Very high84.9Confident0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-144.5154.8171.4-169.50000110I86 V90 E101 E125 L126I86-T114 HydrophobicContact CD1-CG2 3.96Å; I86-T114 HydrophobicContact CG1-CG2 4.02Å; V90-T114 HydrophobicContact CG2-CG2 3.65Å; E101-T114 PolarHBondContact O-OG1 2.79Å; T114-E125 CarbonylContact O-C 3.51Å; T114-E125 WeakPolarHBondContact O-CA 3.35Å; T114-L126 HydrophobicContact CG2-CB 4.19Å; T114-L126 PolarHBondContact N-O 3Å; T114-L126 PolarHBondContact O-N 3.06Å
115F94.8Very high85Confident19 Ų1945.5 Ų45.58%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-106.9148.3175.9-77.8-97.4000110.3H78 E101 F113 L124 E125H78-F115 HydrophobicContact CB-CE1 4Å; H78-F115 AromaticContact CD2-CE1 3.6Å; H78-F115 AromaticContact CE1-CZ 4Å; H78-F115 AromaticContact CG-CE1 3.64Å; H78-F115 AromaticContact ND1-CE1 3.93Å; H78-F115 AromaticContact NE2-CE1 3.86Å; H78-F115 AromaticContact NE2-CZ 3.86Å; E101-F115 HydrophobicContact CB-CB 4.38Å; E101-F115 HydrophobicContact CG-CB 4.13Å; E101-F115 PolarHBondContact N-O 2.92Å; F113-F115 AromaticContact CD2-CD2 3.91Å; F113-F115 HydrophobicContact CD2-CD2 3.91Å; F113-F115 AromaticContact CD2-CE2 3.59Å; F113-F115 HydrophobicContact CD2-CE2 3.59Å; F113-F115 AromaticContact CE2-CD2 3.94Å; F113-F115 HydrophobicContact CE2-CD2 3.94Å; F113-F115 AromaticContact CE2-CE2 3.52Å; F113-F115 HydrophobicContact CE2-CE2 3.52Å; F115-L124 CarbonylContact C-O 3.57Å; F115-L124 VanDerWaalsContact CA-O 3.27Å; F115-L124 WeakPolarHBondContact CA-O 3.42Å; F115-E125 HydrophobicContact CD1-CB 4.1Å; F115-E125 HydrophobicContact CE1-CB 3.84Å; F115-E125 HydrophobicContact CE1-CG 4.37Å; F115-E125 HydrophobicContact CE2-CB 4.48Å; F115-E125 HydrophobicContact CE2-CG 4.16Å; F115-E125 WeakPolarHBondContact CE2-OE1 2.94Å; F115-E125 HydrophobicContact CZ-CB 4.04Å; F115-E125 HydrophobicContact CZ-CG 4.07Å
116F95.1Very high85.6Confident3 Ų342.1 Ų42.11%0.01321%0.211CC..EExtended strand (participates in β ladder)trans-147.4179.8171.565.9-70.6000108F23 L28 L93 V98 L124 L126F23-F116 HydrophobicContact CZ-CD2 4.15Å; F23-F116 AromaticContact CZ-CE2 3.77Å; F23-F116 HydrophobicContact CZ-CE2 3.77Å; L28-F116 HydrophobicContact CD1-CE2 4.39Å; L28-F116 HydrophobicContact CD1-CZ 4.44Å; L28-F116 HydrophobicContact CD2-CE2 3.96Å; L28-F116 HydrophobicContact CD2-CZ 4Å; L93-F116 HydrophobicContact CD1-CD1 4.16Å; L93-F116 HydrophobicContact CD1-CD2 4.01Å; L93-F116 HydrophobicContact CD1-CE1 4.32Å; L93-F116 HydrophobicContact CD1-CE2 4.11Å; L93-F116 HydrophobicContact CD1-CG 4.01Å; L93-F116 HydrophobicContact CD1-CZ 4.28Å; L93-F116 HydrophobicContact CD2-CD2 4.35Å; L93-F116 HydrophobicContact CD2-CE2 4.13Å; V98-F116 HydrophobicContact CG1-CB 4.33Å; V98-F116 HydrophobicContact CG1-CD2 3.86Å; F116-L124 HydrophobicContact CD1-CB 3.88Å; F116-L124 WeakPolarHBondContact CD1-O 2.95Å; F116-L124 HydrophobicContact CD2-CB 4.19Å; F116-L124 HydrophobicContact CD2-CD1 4.29Å; F116-L124 HydrophobicContact CE1-CB 3.43Å; F116-L124 VanDerWaalsContact CE1-CB 3.43Å; F116-L124 HydrophobicContact CE2-CB 3.84Å; F116-L124 HydrophobicContact CE2-CD1 3.55Å; F116-L124 HydrophobicContact CE2-CG 4.28Å; F116-L124 HydrophobicContact CG-CB 4.23Å; F116-L124 HydrophobicContact CZ-CB 3.44Å; F116-L124 VanDerWaalsContact CZ-CB 3.44Å; F116-L124 HydrophobicContact CZ-CD1 3.69Å; F116-L124 HydrophobicContact CZ-CG 4.21Å; F116-L124 PolarHBondContact N-O 3.28Å; F116-L124 PolarHBondContact O-N 3.07Å; F116-L124 VanDerWaalsContact O-O 3.1Å; F116-L126 HydrophobicContact CD1-CG 4.13Å; F116-L126 HydrophobicContact CE1-CD1 4.4Å; F116-L126 HydrophobicContact CE1-CD2 3.59Å; F116-L126 HydrophobicContact CE1-CG 3.56Å; F116-L126 HydrophobicContact CZ-CD2 4Å; F116-L126 HydrophobicContact CZ-CG 4.36Å
117N93.6Very high85.9Confident64 Ų6442.4 Ų42.434%0.34221%0.21SC..EExtended strand (participates in β ladder)trans-125.5150.4178-63.1-59000110.9L122 P123N117-L122 WeakPolarHBondContact CA-O 3.38Å; N117-P123 WeakPolarHBondContact OD1-CA 3.33Å
118D93.5Very high86.3Confident8 Ų839 Ų394%0.04319%0.186CC..  trans-71.1175.1161.784.3-9.8000111.3F23 Y24 D120 G121 L122 L124F23-D118 HydrophobicContact CD1-CB 4.1Å; F23-D118 HydrophobicContact CE1-CB 3.64Å; F23-D118 HydrophobicContact CZ-CB 4.09Å; Y24-D118 PolarHBondContact OH-OD2 3.19Å; Y24-D118 VanDerWaalsContact OH-OD2 3.09Å; D118-D120 PolarHBondContact O-N 2.78Å; D118-D120 WeakPolarHBondContact OD1-CA 3.02Å; D118-D120 PolarHBondContact OD1-N 2.83Å; D118-G121 PolarHBondContact O-N 3.12Å; D118-G121 PolarHBondContact OD1-N 2.78Å; D118-L122 HydrophobicContact CB-CB 4.47Å; D118-L122 VanDerWaalsContact CG-CB 3.49Å; D118-L122 PolarHBondContact N-O 2.78Å; D118-L122 VanDerWaalsContact N-O 3.08Å; D118-L122 WeakPolarHBondContact OD1-CB 3.24Å; D118-L122 PolarHBondContact OD1-N 3.24Å; D118-L122 WeakPolarHBondContact OD2-CB 3.23Å; D118-L124 HydrophobicContact CB-CD1 4.1Å
119P93Very high86Confident62 Ų6231.7 Ų31.740%0.40316%0.159SC..THydrogen-bonded Turntrans-59.1-27.3-179.8-26.837.1000114.6V19 F23V19-P119 HydrophobicContact CG1-CB 3.68Å; V19-P119 HydrophobicContact CG1-CG 3.87Å; F23-P119 HydrophobicContact CB-CG 3.62Å; F23-P119 HydrophobicContact CD1-CG 4.43Å; F23-P119 HydrophobicContact CD2-CG 3.99Å; F23-P119 VanDerWaalsContact CG-CD 3.49Å; F23-P119 HydrophobicContact CG-CG 3.78Å
120D90.2Very high85.2Confident39 Ų3929 Ų2921%0.20914%0.143CC..THydrogen-bonded Turntrans-92.6-2.3-179.4-67.8-72.4000112.6A14 T15 S20 D118A14-D120 VanDerWaalsContact CA-OD2 3.22Å; A14-D120 WeakPolarHBondContact CA-OD2 3.17Å; A14-D120 WeakPolarHBondContact CB-OD2 3.01Å; T15-D120 WeakPolarHBondContact CB-OD1 3.41Å; T15-D120 WeakPolarHBondContact CG2-OD1 3.48Å; T15-D120 PolarHBondContact N-OD1 2.72Å; T15-D120 PolarHBondContact N-OD2 3.38Å; T15-D120 PolarHBondContact OG1-OD1 3.04Å; S20-D120 PolarHBondContact OG-OD2 2.63Å; D118-D120 PolarHBondContact O-N 2.78Å; D118-D120 WeakPolarHBondContact OD1-CA 3.02Å; D118-D120 PolarHBondContact OD1-N 2.83Å
121G88.8Confident84.9Confident3 Ų325.7 Ų25.73%0.03113%0.134CC..  trans84.718.7177.700000115.8R70 D118 P123R70-G121 VanDerWaalsContact NH2-CA 3.32Å; D118-G121 PolarHBondContact O-N 3.12Å; D118-G121 PolarHBondContact OD1-N 2.78Å; G121-P123 WeakPolarHBondContact O-CD 3.49Å
122L89.1Confident85.5Confident23 Ų2323.4 Ų23.412%0.1212%0.124CC..  trans-67.1122166.1-179.764.2000108.6I12 L79 N117 D118 L124I12-L122 HydrophobicContact CD1-CD2 3.87Å; I12-L122 HydrophobicContact CG1-CD2 4.21Å; I12-L122 HydrophobicContact CG2-CD2 4.15Å; L79-L122 HydrophobicContact CD1-CD2 3.83Å; L79-L122 HydrophobicContact CG-CD2 4.33Å; N117-L122 WeakPolarHBondContact CA-O 3.38Å; D118-L122 HydrophobicContact CB-CB 4.47Å; D118-L122 VanDerWaalsContact CG-CB 3.49Å; D118-L122 PolarHBondContact N-O 2.78Å; D118-L122 VanDerWaalsContact N-O 3.08Å; D118-L122 WeakPolarHBondContact OD1-CB 3.24Å; D118-L122 PolarHBondContact OD1-N 3.24Å; D118-L122 WeakPolarHBondContact OD2-CB 3.23Å; L122-L124 HydrophobicContact CD2-CD2 4.19Å; L122-L124 HydrophobicContact CG-CD2 4.25Å; L122-L124 PolarHBondContact O-N 3.27Å
123P91.2Very high85.5Confident14 Ų1422.3 Ų22.39%0.09112%0.122CC..EExtended strand (participates in β ladder)trans-67129.3176.1-20.433.4000110.3H78 L79 N117 G121H78-P123 WeakPolarHBondContact CA-O 3.39Å; H78-P123 HydrophobicContact CB-CB 3.87Å; H78-P123 VanDerWaalsContact CB-O 3.23Å; H78-P123 WeakPolarHBondContact CB-O 3.48Å; L79-P123 PolarHBondContact N-O 2.8Å; L79-P123 VanDerWaalsContact N-O 3.08Å; N117-P123 WeakPolarHBondContact OD1-CA 3.33Å; G121-P123 WeakPolarHBondContact O-CD 3.49Å
124L94.2Very high85.4Confident0 Ų025.4 Ų25.40%015%0.147CC..EExtended strand (participates in β ladder)trans-115.7146.8173.4-56.2-177.8000108.8F23 Y24 L28 L79 F81 F115 F116 D118 L122F23-L124 HydrophobicContact CE1-CD1 3.71Å; F23-L124 HydrophobicContact CZ-CD1 3.99Å; Y24-L124 HydrophobicContact CE1-CD1 4.47Å; L28-L124 HydrophobicContact CD1-CD1 3.99Å; L79-L124 HydrophobicContact CB-CD2 3.76Å; L79-L124 HydrophobicContact CD1-CD2 4.35Å; L79-L124 HydrophobicContact CG-CD2 4.44Å; L79-L124 CarbonylContact O-C 3.55Å; L79-L124 WeakPolarHBondContact O-CA 3.18Å; F81-L124 HydrophobicContact CE2-CD1 4.32Å; F81-L124 HydrophobicContact CE2-CD2 4.06Å; F115-L124 CarbonylContact C-O 3.57Å; F115-L124 VanDerWaalsContact CA-O 3.27Å; F115-L124 WeakPolarHBondContact CA-O 3.42Å; F116-L124 HydrophobicContact CD1-CB 3.88Å; F116-L124 WeakPolarHBondContact CD1-O 2.95Å; F116-L124 HydrophobicContact CD2-CB 4.19Å; F116-L124 HydrophobicContact CD2-CD1 4.29Å; F116-L124 HydrophobicContact CE1-CB 3.43Å; F116-L124 VanDerWaalsContact CE1-CB 3.43Å; F116-L124 HydrophobicContact CE2-CB 3.84Å; F116-L124 HydrophobicContact CE2-CD1 3.55Å; F116-L124 HydrophobicContact CE2-CG 4.28Å; F116-L124 HydrophobicContact CG-CB 4.23Å; F116-L124 HydrophobicContact CZ-CB 3.44Å; F116-L124 VanDerWaalsContact CZ-CB 3.44Å; F116-L124 HydrophobicContact CZ-CD1 3.69Å; F116-L124 HydrophobicContact CZ-CG 4.21Å; F116-L124 PolarHBondContact N-O 3.28Å; F116-L124 PolarHBondContact O-N 3.07Å; F116-L124 VanDerWaalsContact O-O 3.1Å; D118-L124 HydrophobicContact CB-CD1 4.1Å; L122-L124 HydrophobicContact CD2-CD2 4.19Å; L122-L124 HydrophobicContact CG-CD2 4.25Å; L122-L124 PolarHBondContact O-N 3.27Å
125E94.4Very high85.2Confident21 Ų2126 Ų2610%0.09815%0.15CC..EExtended strand (participates in β ladder)trans-120.3135.1177.6176.5177.1-137.100109.3H78 L79 A80 F81 F113 T114 F115 Y127H78-E125 IonicContact CD2-OE2 2.72Å; H78-E125 PolarHBondContact CD2-OE2 2.79Å; H78-E125 IonicContact CE1-OE2 3.45Å; H78-E125 IonicContact NE2-OE2 3.64Å; H78-E125 PolarHBondContact NE2-OE2 2.83Å; L79-E125 PolarHBondContact O-N 3.44Å; A80-E125 CarbonylContact C-O 3.58Å; A80-E125 WeakPolarHBondContact CA-O 3.38Å; A80-E125 HydrophobicContact CB-CB 3.9Å; A80-E125 HydrophobicContact CB-CG 4.26Å; A80-E125 WeakPolarHBondContact CB-OE2 3.38Å; F81-E125 PolarHBondContact N-O 3.23Å; F113-E125 HydrophobicContact CB-CG 4.38Å; F113-E125 VanDerWaalsContact CD2-OE1 3.32Å; F113-E125 WeakPolarHBondContact CD2-OE1 3.43Å; T114-E125 CarbonylContact O-C 3.51Å; T114-E125 WeakPolarHBondContact O-CA 3.35Å; F115-E125 HydrophobicContact CD1-CB 4.1Å; F115-E125 HydrophobicContact CE1-CB 3.84Å; F115-E125 HydrophobicContact CE1-CG 4.37Å; F115-E125 HydrophobicContact CE2-CB 4.48Å; F115-E125 HydrophobicContact CE2-CG 4.16Å; F115-E125 WeakPolarHBondContact CE2-OE1 2.94Å; F115-E125 HydrophobicContact CZ-CB 4.04Å; F115-E125 HydrophobicContact CZ-CG 4.07Å; E125-Y127 HydrophobicContact CG-CD2 4.39Å
126L93.8Very high85.1Confident7 Ų725 Ų254%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-99.5132.9162.2-60.2-173.3000108.7F81 V83 I86 A89 L93 F113 T114 F116F81-L126 HydrophobicContact CB-CD2 4.24Å; F81-L126 CarbonylContact O-C 3.54Å; F81-L126 VanDerWaalsContact O-CA 3.31Å; F81-L126 WeakPolarHBondContact O-CA 3.45Å; V83-L126 HydrophobicContact CG1-CB 4.45Å; V83-L126 HydrophobicContact CG1-CD1 4.24Å; V83-L126 HydrophobicContact CG1-CD2 3.88Å; V83-L126 HydrophobicContact CG1-CG 4.41Å; V83-L126 HydrophobicContact CG2-CB 4.01Å; V83-L126 HydrophobicContact CG2-CD1 4.47Å; I86-L126 HydrophobicContact CD1-CB 4.33Å; I86-L126 HydrophobicContact CG1-CB 4.32Å; A89-L126 HydrophobicContact CB-CD1 3.53Å; L93-L126 HydrophobicContact CD1-CD1 3.8Å; F113-L126 CarbonylContact C-O 3.59Å; F113-L126 WeakPolarHBondContact CA-O 3.45Å; F113-L126 WeakPolarHBondContact CB-O 3.31Å; T114-L126 HydrophobicContact CG2-CB 4.19Å; T114-L126 PolarHBondContact N-O 3Å; T114-L126 PolarHBondContact O-N 3.06Å; F116-L126 HydrophobicContact CD1-CG 4.13Å; F116-L126 HydrophobicContact CE1-CD1 4.4Å; F116-L126 HydrophobicContact CE1-CD2 3.59Å; F116-L126 HydrophobicContact CE1-CG 3.56Å; F116-L126 HydrophobicContact CZ-CD2 4Å; F116-L126 HydrophobicContact CZ-CG 4.36Å
127Y84.7Confident85.2Confident40 Ų4025.5 Ų25.516%0.15715%0.149CC..EExtended strand (participates in β ladder)trans-128.9123.8-176.8-150-101.7000110.7F81 S82 V83 D106 T109 K111 F113 E125F81-Y127 PolarHBondContact O-N 2.87Å; S82-Y127 CarbonylContact C-O 3.53Å; S82-Y127 WeakPolarHBondContact CA-O 3.45Å; V83-Y127 PolarHBondContact N-O 3.07Å; D106-Y127 HydrophobicContact CB-CE2 4.45Å; D106-Y127 PolarHBondContact OD2-OH 2.88Å; T109-Y127 WeakPolarHBondContact CB-OH 3.39Å; T109-Y127 VanDerWaalsContact CG2-OH 3.26Å; T109-Y127 WeakPolarHBondContact CG2-OH 3.26Å; T109-Y127 PolarHBondContact OG1-OH 2.82Å; K111-Y127 HydrophobicContact CB-CD1 4.16Å; K111-Y127 HydrophobicContact CB-CE1 3.61Å; K111-Y127 HydrophobicContact CD-CD1 3.89Å; K111-Y127 HydrophobicContact CD-CE1 3.34Å; K111-Y127 HydrophobicContact CG-CE1 4.13Å; F113-Y127 HydrophobicContact CB-CD2 3.37Å; F113-Y127 HydrophobicContact CB-CE2 3.74Å; F113-Y127 HydrophobicContact CB-CG 4.32Å; F113-Y127 HydrophobicContact CD1-CE2 4.19Å; F113-Y127 HydrophobicContact CG-CD2 4.19Å; F113-Y127 HydrophobicContact CG-CE2 4.12Å; E125-Y127 HydrophobicContact CG-CD2 4.39Å
128E77.2Confident85.3Confident21 Ų2123.8 Ų23.810%0.09814%0.139CC..EExtended strand (participates in β ladder)trans-77132.4-173.4-163.4178.3-110.800112.4V83 K111 R112V83-E128 VanDerWaalsContact O-CA 3.31Å; V83-E128 WeakPolarHBondContact O-CA 3.42Å; K111-E128 WeakPolarHBondContact CD-O 3.25Å; R112-E128 HydrophobicContact CB-CB 4.07Å; R112-E128 VanDerWaalsContact CD-OE2 3.28Å; R112-E128 WeakPolarHBondContact CD-OE2 3.38Å; R112-E128 IonicContact NH1-OE1 3.89Å; R112-E128 PolarHBondContact NH1-OE1 3.46Å; R112-E128 WeakPolarHBondContact O-CB 3.28Å; R112-E128 PolarHBondContact O-N 3.34Å
129H58.9Low85.4Confident59 Ų5924 Ų2427%0.27314%0.14SC..  trans-144.1133.7-178.9-139.9-71.2000111.2V83 K111 E285V83-H129 PolarHBondContact O-N 2.76Å; K111-H129 PolarHBondContact NZ-CD2 3.09Å; K111-H129 PolarHBondContact NZ-NE2 3.28Å; H129-E285 IonicContact CE1-OE2 2.73Å; H129-E285 IonicContact CG-OE2 3.93Å; H129-E285 IonicContact ND1-OE1 3.31Å; H129-E285 IonicContact ND1-OE2 3.67Å; H129-E285 PolarHBondContact ND1-OE2 3.2Å
130G50.2Low85.6Confident6 Ų624 Ų246%0.06213%0.134CC..  trans-162.3166.3179.700000118.2L132 W283 E285G130-L132 PolarHBondContact O-N 2.98Å; G130-W283 VanDerWaalsContact CA-CD1 3.42Å; G130-W283 PolarHBondContact O-NE1 3.28Å; G130-E285 WeakPolarHBondContact CA-OE2 3.27Å; G130-E285 PolarHBondContact N-OE2 3.2Å
131G59.7Low85.9Confident21 Ų2123.6 Ų23.622%0.21613%0.132CC..  trans-78.282.5171.900000117.5I284 E285G131-I284 CarbonylContact C-O 3.44Å; G131-I284 WeakPolarHBondContact CA-O 3.45Å; G131-I284 VanDerWaalsContact N-C 3.32Å; G131-I284 PolarHBondContact N-O 2.89Å; G131-E285 VanDerWaalsContact N-CA 3.34Å
132L79.9Confident86.3Confident4 Ų424 Ų242%0.02113%0.134CC..Hα-helixtrans-65.5-41-170.1175.464.1000117G130 S134 T135 V136 R269 L272 A273 A276 W283G130-L132 PolarHBondContact O-N 2.98Å; L132-S134 PolarHBondContact O-N 3.39Å; L132-T135 PolarHBondContact O-N 3.18Å; L132-V136 HydrophobicContact CD1-CG2 3.76Å; L132-V136 HydrophobicContact CG-CG2 4.22Å; L132-V136 WeakPolarHBondContact O-CG2 3.26Å; L132-V136 PolarHBondContact O-N 2.91Å; L132-V136 VanDerWaalsContact O-N 3.11Å; L132-R269 HydrophobicContact CD2-CG 4.15Å; L132-L272 HydrophobicContact CD2-CB 3.83Å; L132-L272 HydrophobicContact CG-CB 4.01Å; L132-A273 HydrophobicContact CD2-CB 3.75Å; L132-A276 HydrophobicContact CD1-CB 3.34Å; L132-W283 HydrophobicContact CD1-CD2 4.37Å; L132-W283 HydrophobicContact CD1-CE3 4.5Å; L132-W283 HydrophobicContact CD1-CH2 4.5Å; L132-W283 HydrophobicContact CD1-CZ2 4.33Å
133D86.7Confident86.6Confident32 Ų3226.7 Ų26.717%0.17115%0.146CC..Hα-helixtrans-70.7-42.9-155-39.7-37.8000113.1T135 V136 L137 A223 H225 L272D133-T135 PolarHBondContact O-N 2.94Å; D133-V136 PolarHBondContact O-N 3.24Å; D133-L137 PolarHBondContact O-N 2.98Å; D133-A223 HydrophobicContact CB-CB 4.04Å; D133-A223 WeakPolarHBondContact O-CB 3.35Å; D133-H225 IonicContact OD1-CD2 3.46Å; D133-H225 IonicContact OD1-NE2 2.74Å; D133-H225 IonicContact OD2-CD2 3.57Å; D133-H225 IonicContact OD2-NE2 2.73Å; D133-H225 PolarHBondContact OD2-NE2 3.14Å; D133-L272 HydrophobicContact CB-CD1 4.15Å
134S88.5Confident86.8Confident87 Ų8732 Ų3261%0.60816%0.164SC*.Hα-helixtrans-66.9-37.3-179.6-62.60000111.9L132 L138L132-S134 PolarHBondContact O-N 3.39Å; S134-L138 WeakPolarHBondContact O-CB 3.5Å; S134-L138 PolarHBondContact O-N 2.72Å
135T91.1Very high87Confident12 Ų1234.5 Ų34.57%0.07417%0.174CC..Hα-helixtrans-66.1-43.5176.6-62.10000111L132 D133 L138 H139 W180 L281 R282 W283L132-T135 PolarHBondContact O-N 3.18Å; D133-T135 PolarHBondContact O-N 2.94Å; T135-L138 PolarHBondContact O-N 3.47Å; T135-H139 VanDerWaalsContact O-CB 3.31Å; T135-H139 WeakPolarHBondContact O-CB 3.13Å; T135-H139 PolarHBondContact O-N 3.5Å; T135-W180 HydrophobicContact CG2-CH2 3.85Å; T135-L281 HydrophobicContact CG2-CB 3.91Å; T135-L281 HydrophobicContact CG2-CD1 4.12Å; T135-R282 WeakPolarHBondContact CG2-O 3.49Å; T135-W283 HydrophobicContact CG2-CB 4.11Å; T135-W283 VanDerWaalsContact OG1-CB 3.26Å; T135-W283 WeakPolarHBondContact OG1-CB 3.46Å
136V93.6Very high87Confident0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-62-47.3176.7172.60000111.2L132 D133 H139 Q140 L272 W275 A276L132-V136 HydrophobicContact CD1-CG2 3.76Å; L132-V136 HydrophobicContact CG-CG2 4.22Å; L132-V136 WeakPolarHBondContact O-CG2 3.26Å; L132-V136 PolarHBondContact O-N 2.91Å; L132-V136 VanDerWaalsContact O-N 3.11Å; D133-V136 PolarHBondContact O-N 3.24Å; V136-H139 PolarHBondContact O-N 3.15Å; V136-Q140 WeakPolarHBondContact O-CG 3.47Å; V136-Q140 PolarHBondContact O-N 3.31Å; V136-L272 HydrophobicContact CB-CD2 4.37Å; V136-L272 HydrophobicContact CG1-CD2 3.71Å; V136-L272 HydrophobicContact CG2-CB 4.32Å; V136-L272 WeakPolarHBondContact CG2-O 3.28Å; V136-W275 HydrophobicContact CG1-CB 4.23Å; V136-W275 HydrophobicContact CG1-CG 3.97Å; V136-A276 HydrophobicContact CG2-CB 3.84Å
137L96.1Very high87.1Confident13 Ų1344.9 Ų44.97%0.06823%0.229CC..Hα-helixtrans-59.4-50.6177.5177.263.1000111.5D133 H139 Q140 L141 V221 T222 A223 P263 L264D133-L137 PolarHBondContact O-N 2.98Å; L137-H139 VanDerWaalsContact C-N 3.33Å; L137-H139 PolarHBondContact O-N 2.94Å; L137-Q140 PolarHBondContact O-N 3.35Å; L137-L141 HydrophobicContact CD1-CD1 4.09Å; L137-L141 HydrophobicContact CD1-CG 4.21Å; L137-L141 HydrophobicContact CG-CD1 4.02Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 2.6Å; L137-V221 HydrophobicContact CD1-CG1 4.05Å; L137-V221 HydrophobicContact CD2-CG1 3.97Å; L137-T222 VanDerWaalsContact CD2-C 3.43Å; L137-A223 HydrophobicContact CB-CB 3.84Å; L137-A223 HydrophobicContact CD2-CB 3.77Å; L137-A223 HydrophobicContact CG-CB 4.44Å; L137-P263 HydrophobicContact CD1-CG 4.23Å; L137-L264 HydrophobicContact CB-CD1 3.83Å; L137-L264 HydrophobicContact CD1-CD1 4.38Å; L137-L264 HydrophobicContact CD1-CG 4.32Å
138L96Very high87.6Confident27 Ų2746 Ų4614%0.14124%0.238CC..Hα-helixtrans-61.2-44-177.9179.459.5000111S134 T135 Q140 L141 V142 L153 A155 V176 W180 V182S134-L138 WeakPolarHBondContact O-CB 3.5Å; S134-L138 PolarHBondContact O-N 2.72Å; T135-L138 PolarHBondContact O-N 3.47Å; L138-Q140 PolarHBondContact O-N 3.18Å; L138-L141 PolarHBondContact O-N 2.89Å; L138-V142 HydrophobicContact CD1-CG2 4.46Å; L138-V142 VanDerWaalsContact O-CG2 3.31Å; L138-V142 WeakPolarHBondContact O-CG2 3.34Å; L138-V142 PolarHBondContact O-N 2.94Å; L138-L153 HydrophobicContact CD1-CD2 4.18Å; L138-A155 HydrophobicContact CD1-CB 4.37Å; L138-V176 HydrophobicContact CD2-CG1 4.31Å; L138-W180 HydrophobicContact CB-CZ3 4.03Å; L138-W180 HydrophobicContact CD2-CE3 3.74Å; L138-W180 HydrophobicContact CD2-CZ3 3.72Å; L138-W180 HydrophobicContact CG-CE3 3.73Å; L138-W180 HydrophobicContact CG-CZ3 3.7Å; L138-V182 HydrophobicContact CD1-CG1 4.27Å; L138-V182 HydrophobicContact CD1-CG2 4.34Å
139H96.2Very high88.3Confident14 Ų1451 Ų517%0.06527%0.272CS..Hα-helixtrans-60.5-44.9176179.5-87.8000112T135 V136 L137 L141 V142 Q143 W180 W275 H279 L281T135-H139 VanDerWaalsContact O-CB 3.31Å; T135-H139 WeakPolarHBondContact O-CB 3.13Å; T135-H139 PolarHBondContact O-N 3.5Å; V136-H139 PolarHBondContact O-N 3.15Å; L137-H139 VanDerWaalsContact C-N 3.33Å; L137-H139 PolarHBondContact O-N 2.94Å; H139-L141 VanDerWaalsContact C-N 3.33Å; H139-L141 PolarHBondContact O-N 3.49Å; H139-V142 PolarHBondContact O-N 3.43Å; H139-Q143 PolarHBondContact NE2-NE2 3.37Å; H139-Q143 WeakPolarHBondContact O-CG 3.24Å; H139-Q143 PolarHBondContact O-N 2.88Å; H139-W180 HydrophobicContact CB-CH2 3.88Å; H139-W180 HydrophobicContact CB-CZ2 4.34Å; H139-W180 HydrophobicContact CB-CZ3 4.2Å; H139-W275 AromaticContact CE1-NE1 3.99Å; H139-W275 AromaticContact ND1-CE2 3.97Å; H139-W275 AromaticContact ND1-NE1 3.28Å; H139-W275 PolarHBondContact ND1-NE1 2.75Å; H139-H279 AromaticContact CE1-CD2 3.44Å; H139-H279 PolarHBondContact CE1-CD2 3.27Å; H139-H279 VanDerWaalsContact CE1-CD2 3.44Å; H139-H279 AromaticContact CE1-CG 3.66Å; H139-L281 HydrophobicContact CB-CD1 3.71Å; H139-L281 HydrophobicContact CB-CD2 4.27Å; H139-L281 WeakPolarHBondContact CD2-CD2 3.28Å
140Q96.9Very high89.8Confident60 Ų6052 Ų5228%0.2830%0.298SS..Hα-helixtrans-61.2-39.7176.2-76.6-174.5300112.4V136 L137 L138 V142 Q143 W144 W275V136-Q140 WeakPolarHBondContact O-CG 3.47Å; V136-Q140 PolarHBondContact O-N 3.31Å; L137-Q140 PolarHBondContact O-N 3.35Å; L138-Q140 PolarHBondContact O-N 3.18Å; Q140-V142 VanDerWaalsContact C-N 3.34Å; Q140-V142 PolarHBondContact O-N 3.17Å; Q140-Q143 PolarHBondContact O-N 2.88Å; Q140-W144 WeakPolarHBondContact O-CB 3.38Å; Q140-W144 PolarHBondContact O-N 3.02Å; Q140-W275 HydrophobicContact CG-CD2 4.33Å; Q140-W275 HydrophobicContact CG-CH2 4.14Å; Q140-W275 HydrophobicContact CG-CZ2 3.55Å
141L96.8Very high91.9Very high31 Ų3153.6 Ų53.616%0.16231%0.307CS..Hα-helixtrans-67.8-33.3176.3-69.1173.2000112.6L137 L138 H139 W144 R145 L153 V221L137-L141 HydrophobicContact CD1-CD1 4.09Å; L137-L141 HydrophobicContact CD1-CG 4.21Å; L137-L141 HydrophobicContact CG-CD1 4.02Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 2.6Å; L138-L141 PolarHBondContact O-N 2.89Å; H139-L141 VanDerWaalsContact C-N 3.33Å; H139-L141 PolarHBondContact O-N 3.49Å; L141-W144 HydrophobicContact CD2-CE3 4.14Å; L141-W144 PolarHBondContact O-N 2.79Å; L141-R145 WeakPolarHBondContact O-CB 3.13Å; L141-R145 PolarHBondContact O-N 3.35Å; L141-L153 HydrophobicContact CB-CD1 3.96Å; L141-L153 HydrophobicContact CB-CD2 3.71Å; L141-L153 HydrophobicContact CD1-CD1 3.94Å; L141-V221 HydrophobicContact CD1-CB 4.46Å; L141-V221 HydrophobicContact CD1-CG1 4.41Å
142V96.7Very high93.5Very high13 Ų1358.9 Ų58.98%0.07934%0.335CS..Hα-helixtrans-67.1-41.3173.61700000111.3L138 H139 Q140 R145 T146 L153 W180 V182L138-V142 HydrophobicContact CD1-CG2 4.46Å; L138-V142 VanDerWaalsContact O-CG2 3.31Å; L138-V142 WeakPolarHBondContact O-CG2 3.34Å; L138-V142 PolarHBondContact O-N 2.94Å; H139-V142 PolarHBondContact O-N 3.43Å; Q140-V142 VanDerWaalsContact C-N 3.34Å; Q140-V142 PolarHBondContact O-N 3.17Å; V142-R145 PolarHBondContact O-N 3.01Å; V142-T146 PolarHBondContact O-N 3.37Å; V142-T146 VanDerWaalsContact O-N 3.14Å; V142-T146 PolarHBondContact O-OG1 3.38Å; V142-L153 HydrophobicContact CG2-CD2 3.86Å; V142-W180 HydrophobicContact CG1-CB 4.31Å; V142-W180 HydrophobicContact CG2-CB 4Å; V142-W180 HydrophobicContact CG2-CE3 4.41Å; V142-V182 HydrophobicContact CG2-CG2 3.63Å
143Q96Very high94.3Very high79 Ų7959.9 Ų59.937%0.36934%0.34SS..Hα-helixtrans-61.9-48.2172.5-65.9-64.6-23.500110.7H139 Q140 R145 T146 E147H139-Q143 PolarHBondContact NE2-NE2 3.37Å; H139-Q143 WeakPolarHBondContact O-CG 3.24Å; H139-Q143 PolarHBondContact O-N 2.88Å; Q140-Q143 PolarHBondContact O-N 2.88Å; Q143-R145 PolarHBondContact O-N 3.21Å; Q143-T146 WeakPolarHBondContact O-CA 3.37Å; Q143-T146 VanDerWaalsContact O-CB 3.28Å; Q143-T146 WeakPolarHBondContact O-CB 3.48Å; Q143-T146 PolarHBondContact O-N 3.5Å; Q143-E147 PolarHBondContact O-N 3.14Å; Q143-E147 VanDerWaalsContact O-N 3.1Å
144W96.3Very high94.8Very high124 Ų12461.9 Ų61.947%0.4735%0.345SS..Hα-helixtrans-59.2-41.8177.417762.1000113.2Q140 L141 T146 E147 N148 V151Q140-W144 WeakPolarHBondContact O-CB 3.38Å; Q140-W144 PolarHBondContact O-N 3.02Å; L141-W144 HydrophobicContact CD2-CE3 4.14Å; L141-W144 PolarHBondContact O-N 2.79Å; W144-T146 VanDerWaalsContact C-N 3.25Å; W144-T146 PolarHBondContact O-N 2.98Å; W144-E147 PolarHBondContact O-N 3Å; W144-E147 VanDerWaalsContact O-N 3.17Å; W144-N148 PolarHBondContact NE1-ND2 2.77Å; W144-N148 WeakPolarHBondContact O-CB 3.1Å; W144-N148 PolarHBondContact O-N 3.24Å; W144-N148 PolarHBondContact O-ND2 2.89Å; W144-V151 HydrophobicContact CE3-CG1 3.91Å; W144-V151 HydrophobicContact CH2-CB 4.48Å; W144-V151 HydrophobicContact CH2-CG1 3.78Å; W144-V151 HydrophobicContact CH2-CG2 3.81Å; W144-V151 HydrophobicContact CZ2-CG2 4.01Å; W144-V151 HydrophobicContact CZ3-CB 4.44Å; W144-V151 HydrophobicContact CZ3-CG1 3.38Å; W144-V151 HydrophobicContact CZ3-CG2 4.23Å
145R96.7Very high95.1Very high53 Ų5358.5 Ų58.520%0.232%0.323CS..Hα-helixtrans-59.3-36.9173.4-179.1-175.566.9-179.1-0.3111.9L141 V142 Q143 E147 N148 V151 W180 Q181L141-R145 WeakPolarHBondContact O-CB 3.13Å; L141-R145 PolarHBondContact O-N 3.35Å; V142-R145 PolarHBondContact O-N 3.01Å; Q143-R145 PolarHBondContact O-N 3.21Å; R145-E147 VanDerWaalsContact C-N 3.33Å; R145-N148 CarbonylContact O-C 3.53Å; R145-N148 PolarHBondContact O-N 3.36Å; R145-V151 HydrophobicContact CB-CG1 4.45Å; R145-V151 HydrophobicContact CG-CB 4.49Å; R145-V151 HydrophobicContact CG-CG1 4.48Å; R145-V151 WeakPolarHBondContact CG-O 3.25Å; R145-W180 PolarHBondContact NH2-O 2.85Å; R145-Q181 PolarHBondContact NH1-O 2.98Å
146T94.8Very high95.3Very high100 Ų10060.3 Ų60.361%0.61333%0.332SS*.Hα-helixtrans-67.8-35.8178-55.10000111.2V142 Q143 W144V142-T146 PolarHBondContact O-N 3.37Å; V142-T146 VanDerWaalsContact O-N 3.14Å; V142-T146 PolarHBondContact O-OG1 3.38Å; Q143-T146 WeakPolarHBondContact O-CA 3.37Å; Q143-T146 VanDerWaalsContact O-CB 3.28Å; Q143-T146 WeakPolarHBondContact O-CB 3.48Å; Q143-T146 PolarHBondContact O-N 3.5Å; W144-T146 VanDerWaalsContact C-N 3.25Å; W144-T146 PolarHBondContact O-N 2.98Å
147E96.2Very high95.2Very high146 Ų14661.8 Ų61.868%0.68234%0.339SS*.Hα-helixtrans-77.6-19.1175.7-66.1175.9174.200113.8Q143 W144 R145 P149Q143-E147 PolarHBondContact O-N 3.14Å; Q143-E147 VanDerWaalsContact O-N 3.1Å; W144-E147 PolarHBondContact O-N 3Å; W144-E147 VanDerWaalsContact O-N 3.17Å; R145-E147 VanDerWaalsContact C-N 3.33Å; E147-P149 WeakPolarHBondContact O-CD 3.31Å
148N96.1Very high94.9Very high64 Ų6461.9 Ų61.934%0.34234%0.34SS..SBendtrans-126.481.3-173.6-65.9-94.3000111.6W144 R145 G150 V151W144-N148 PolarHBondContact NE1-ND2 2.77Å; W144-N148 WeakPolarHBondContact O-CB 3.1Å; W144-N148 PolarHBondContact O-N 3.24Å; W144-N148 PolarHBondContact O-ND2 2.89Å; R145-N148 CarbonylContact O-C 3.53Å; R145-N148 PolarHBondContact O-N 3.36Å; N148-G150 PolarHBondContact O-N 3.19Å; N148-V151 HydrophobicContact CB-CB 4.48Å; N148-V151 HydrophobicContact CB-CG2 3.65Å; N148-V151 WeakPolarHBondContact O-CB 3.42Å; N148-V151 WeakPolarHBondContact O-CG2 3.25Å; N148-V151 PolarHBondContact O-N 2.82Å; N148-V151 VanDerWaalsContact O-N 3.14Å
149P90Very high94.6Very high125 Ų12561.5 Ų61.581%0.81234%0.337SS*.THydrogen-bonded Turntrans-55129.6177.9-25.334.3000112.1E147E147-P149 WeakPolarHBondContact O-CD 3.31Å
150G90.8Very high93.8Very high80 Ų8062.8 Ų62.883%0.82534%0.343SS*.THydrogen-bonded Turntrans102.9-15.1-177.100000114.2N148 T152N148-G150 PolarHBondContact O-N 3.19Å; G150-T152 PolarHBondContact O-N 3.21Å
151V94.1Very high92.9Very high40 Ų4062.6 Ų62.624%0.24236%0.357CS..  trans-67.9128.4169.3172.30000109.6W144 R145 N148W144-V151 HydrophobicContact CE3-CG1 3.91Å; W144-V151 HydrophobicContact CH2-CB 4.48Å; W144-V151 HydrophobicContact CH2-CG1 3.78Å; W144-V151 HydrophobicContact CH2-CG2 3.81Å; W144-V151 HydrophobicContact CZ2-CG2 4.01Å; W144-V151 HydrophobicContact CZ3-CB 4.44Å; W144-V151 HydrophobicContact CZ3-CG1 3.38Å; W144-V151 HydrophobicContact CZ3-CG2 4.23Å; R145-V151 HydrophobicContact CB-CG1 4.45Å; R145-V151 HydrophobicContact CG-CB 4.49Å; R145-V151 HydrophobicContact CG-CG1 4.48Å; R145-V151 WeakPolarHBondContact CG-O 3.25Å; N148-V151 HydrophobicContact CB-CB 4.48Å; N148-V151 HydrophobicContact CB-CG2 3.65Å; N148-V151 WeakPolarHBondContact O-CB 3.42Å; N148-V151 WeakPolarHBondContact O-CG2 3.25Å; N148-V151 PolarHBondContact O-N 2.82Å; N148-V151 VanDerWaalsContact O-N 3.14Å
152T94.6Very high91.8Very high132 Ų13266 Ų6681%0.8138%0.375SS*.  trans-101.4144.3169580000109.4G150G150-T152 PolarHBondContact O-N 3.21Å
153L95.9Very high90.8Very high26 Ų2666.7 Ų66.714%0.13638%0.38CS..  trans-135.7135.8-178.1177.464.3000108.4L138 L141 V142 V182 P183L138-L153 HydrophobicContact CD1-CD2 4.18Å; L141-L153 HydrophobicContact CB-CD1 3.96Å; L141-L153 HydrophobicContact CB-CD2 3.71Å; L141-L153 HydrophobicContact CD1-CD1 3.94Å; V142-L153 HydrophobicContact CG2-CD2 3.86Å; L153-V182 HydrophobicContact CD2-CG1 4.49Å; L153-V182 HydrophobicContact CD2-CG2 4.05Å; L153-V182 HydrophobicContact CG-CG1 4.16Å; L153-P183 WeakPolarHBondContact O-CD 2.91Å
154R97.1Very high90Very high73 Ų7367.7 Ų67.728%0.27540%0.402SS..  trans-132153.1171.1-56.2-169-54.2135.82109.6P183 T213 E218R154-P183 WeakPolarHBondContact CA-O 3.45Å; R154-P183 HydrophobicContact CG-CB 4.2Å; R154-P183 HydrophobicContact CG-CG 4.38Å; R154-T213 PolarHBondContact NH2-O 3.16Å; R154-E218 IonicContact CZ-OE1 2.79Å; R154-E218 IonicContact CZ-OE2 3.41Å; R154-E218 IonicContact NE-OE1 3.15Å; R154-E218 PolarHBondContact NE-OE1 2.96Å; R154-E218 IonicContact NE-OE2 2.76Å; R154-E218 VanDerWaalsContact NH2-CD 3.31Å; R154-E218 IonicContact NH2-OE1 2.72Å; R154-E218 PolarHBondContact NH2-OE1 3.5Å; R154-E218 VanDerWaalsContact NH2-OE1 3.15Å; R154-E218 IonicContact NH2-OE2 3.39Å; R154-E218 PolarHBondContact NH2-OE2 3.43Å
155A95.7Very high89.1Confident17 Ų1764.6 Ų64.614%0.1439%0.394CS..EExtended strand (participates in β ladder)trans-112.3154.4174.100000110.1L138 V182 P183 L184 V185L138-A155 HydrophobicContact CD1-CB 4.37Å; A155-V182 HydrophobicContact CB-CG1 3.95Å; A155-P183 PolarHBondContact N-O 3.03Å; A155-L184 HydrophobicContact CB-CD1 3.83Å; A155-L184 WeakPolarHBondContact O-CA 3.03Å; A155-V185 PolarHBondContact O-N 3.11Å
156I94.4Very high88.3Confident49 Ų4962.3 Ų62.325%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-132.2134170.3179.3169.9000109.5V158 V185 E187 F210 T213I156-V158 HydrophobicContact CD1-CG2 4.25Å; I156-V158 HydrophobicContact CG1-CG2 4.26Å; I156-V185 CarbonylContact C-O 3.53Å; I156-V185 VanDerWaalsContact CA-O 3.26Å; I156-V185 WeakPolarHBondContact CA-O 3.26Å; I156-V185 HydrophobicContact CB-CB 4.49Å; I156-V185 HydrophobicContact CG1-CB 4.4Å; I156-E187 HydrophobicContact CD1-CG 4.02Å; I156-F210 HydrophobicContact CD1-CD1 3.79Å; I156-F210 HydrophobicContact CD1-CE1 4.26Å; I156-F210 HydrophobicContact CG1-CD1 4.41Å; I156-F210 HydrophobicContact CG1-CE1 4.43Å; I156-F210 HydrophobicContact CG2-CD1 3.8Å; I156-F210 HydrophobicContact CG2-CE1 3.69Å; I156-T213 HydrophobicContact CD1-CG2 4.08Å; I156-T213 WeakPolarHBondContact CD1-OG1 3.22Å
157H92.4Very high87.9Confident32 Ų3262 Ų6215%0.14838%0.381CS..EExtended strand (participates in β ladder)trans-114.1134.1167-176.887.9000109.2C173 L184 V185 V186 E187H157-C173 HydrophobicContact CB-CB 4.35Å; H157-C173 PolarHBondContact ND1-SG 3.01Å; H157-C173 VanDerWaalsContact ND1-SG 3.36Å; H157-L184 HydrophobicContact CB-CD1 4.2Å; H157-V185 PolarHBondContact N-O 2.94Å; H157-V186 WeakPolarHBondContact O-CA 3.41Å; H157-E187 PolarHBondContact O-N 3.49Å
158V89.8Confident87.4Confident15 Ų1557.9 Ų57.99%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-109.8111.1178.2-176.20000108.9I156 H160 E187 V189 R206 A209 F210I156-V158 HydrophobicContact CD1-CG2 4.25Å; I156-V158 HydrophobicContact CG1-CG2 4.26Å; V158-H160 VanDerWaalsContact CG1-CE1 3.41Å; V158-H160 WeakPolarHBondContact CG1-CE1 3.28Å; V158-E187 CarbonylContact C-O 3.56Å; V158-E187 WeakPolarHBondContact CA-O 3.36Å; V158-V189 HydrophobicContact CG1-CB 4.39Å; V158-V189 HydrophobicContact CG1-CG1 3.83Å; V158-V189 HydrophobicContact CG1-CG2 3.63Å; V158-R206 HydrophobicContact CG2-CG 4.23Å; V158-A209 HydrophobicContact CG1-CB 4.34Å; V158-A209 HydrophobicContact CG2-CB 4.01Å; V158-F210 HydrophobicContact CG2-CD1 4.19Å; V158-F210 HydrophobicContact CG2-CE1 3.7Å; V158-F210 HydrophobicContact CG2-CZ 4.49Å
159H89Confident86.8Confident19 Ų1956.2 Ų56.29%0.08836%0.361CS..EExtended strand (participates in β ladder)trans-86.6114.1176.8-179.1-54.4000109.1G161 A166 D167 V170 E187 R188 V189H159-G161 PolarHBondContact ND1-N 3.43Å; H159-A166 PolarHBondContact CD2-O 3.38Å; H159-A166 WeakPolarHBondContact NE2-CB 3.46Å; H159-D167 IonicContact CD2-OD1 3.81Å; H159-D167 PolarHBondContact CD2-OD1 2.99Å; H159-D167 IonicContact CE1-OD1 3.84Å; H159-D167 IonicContact NE2-OD1 3.95Å; H159-D167 PolarHBondContact NE2-OD1 3.48Å; H159-V170 HydrophobicContact CB-CG2 4.2Å; H159-E187 PolarHBondContact N-O 3.35Å; H159-R188 HydrophobicContact CB-CG 3.91Å; H159-V189 PolarHBondContact O-N 3.23Å
160H79.4Confident86.7Confident41 Ų4150.5 Ų50.519%0.1932%0.324CS..  trans-88.1-8.7-175.6-67.2-50.2000114.5V158 L162 V189 A202V158-H160 VanDerWaalsContact CG1-CE1 3.41Å; V158-H160 WeakPolarHBondContact CG1-CE1 3.28Å; H160-L162 HydrophobicContact CB-CD1 4.25Å; H160-L162 HydrophobicContact CB-CG 4.33Å; H160-L162 PolarHBondContact O-N 3.44Å; H160-V189 VanDerWaalsContact ND1-CG2 3.28Å; H160-V189 WeakPolarHBondContact ND1-CG2 3.41Å; H160-A202 PolarHBondContact CE1-O 3.3Å
161G77.3Confident86.7Confident55 Ų5550 Ų5057%0.56731%0.305SS*.SBendtrans68.814.4-178.500000115.7H159H159-G161 PolarHBondContact ND1-N 3.43Å
162L75.1Confident86.3Confident104 Ų10450.2 Ų50.255%0.54530%0.304SS..  trans-94-34.7-175-68.1170.9000114.4H160 L191 I198H160-L162 HydrophobicContact CB-CD1 4.25Å; H160-L162 HydrophobicContact CB-CG 4.33Å; H160-L162 PolarHBondContact O-N 3.44Å; L162-L191 HydrophobicContact CD1-CD1 3.57Å; L162-L191 HydrophobicContact CD2-CD1 3.87Å; L162-L191 HydrophobicContact CG-CD1 3.76Å; L162-I198 HydrophobicContact CD1-CG2 3.55Å; L162-I198 HydrophobicContact CD2-CG2 4.15Å
163S75.9Confident86Confident27 Ų2745 Ų4519%0.18927%0.272CS..SBendtrans-97.3144.7-177.2176.30000111.3N165 A166 W169S163-N165 PolarHBondContact O-N 3.28Å; S163-N165 PolarHBondContact OG-N 3.4Å; S163-A166 WeakPolarHBondContact O-CB 3.49Å; S163-A166 PolarHBondContact O-N 3.44Å; S163-A166 VanDerWaalsContact O-N 3.17Å; S163-W169 VanDerWaalsContact OG-CH2 3.28Å; S163-W169 WeakPolarHBondContact OG-CH2 3.36Å
164A77.8Confident85.9Confident99 Ų9948.2 Ų48.282%0.81829%0.286SS*.THydrogen-bonded Turntrans-60.8-26.2168.500000112.2
165N78.4Confident85.7Confident59 Ų5949.1 Ų49.132%0.31630%0.297SS..THydrogen-bonded Turntrans-89.1-0.2179.5-58.2-27.7000113S163 D167 A168 W169 E287S163-N165 PolarHBondContact O-N 3.28Å; S163-N165 PolarHBondContact OG-N 3.4Å; N165-D167 VanDerWaalsContact C-N 3.26Å; N165-D167 PolarHBondContact O-N 2.89Å; N165-A168 WeakPolarHBondContact O-CA 3.45Å; N165-A168 WeakPolarHBondContact O-CB 3.39Å; N165-A168 PolarHBondContact O-N 2.91Å; N165-W169 HydrophobicContact CB-CD2 4.4Å; N165-W169 HydrophobicContact CB-CZ2 3.8Å; N165-W169 PolarHBondContact O-N 3.1Å; N165-E287 PolarHBondContact ND2-OE1 2.92Å
166A80.5Confident85.4Confident5 Ų549 Ų494%0.04130%0.295CS..Hα-helixtrans-58.8-35.3-172.300000113.3H159 S163 W169 V170H159-A166 PolarHBondContact CD2-O 3.38Å; H159-A166 WeakPolarHBondContact NE2-CB 3.46Å; S163-A166 WeakPolarHBondContact O-CB 3.49Å; S163-A166 PolarHBondContact O-N 3.44Å; S163-A166 VanDerWaalsContact O-N 3.17Å; A166-W169 HydrophobicContact CB-CE3 4.36Å; A166-W169 PolarHBondContact O-N 3.34Å; A166-V170 PolarHBondContact O-N 2.97Å
167D85.9Confident85.3Confident93 Ų9347 Ų4750%0.49728%0.284SS..Hα-helixtrans-74.3-32.7175.7-69.4-37.1000112.8H159 N165 W169 V170 T171 R188H159-D167 IonicContact CD2-OD1 3.81Å; H159-D167 PolarHBondContact CD2-OD1 2.99Å; H159-D167 IonicContact CE1-OD1 3.84Å; H159-D167 IonicContact NE2-OD1 3.95Å; H159-D167 PolarHBondContact NE2-OD1 3.48Å; N165-D167 VanDerWaalsContact C-N 3.26Å; N165-D167 PolarHBondContact O-N 2.89Å; D167-W169 VanDerWaalsContact C-N 3.33Å; D167-V170 PolarHBondContact O-N 3.14Å; D167-T171 PolarHBondContact O-N 3.37Å; D167-T171 VanDerWaalsContact O-N 3.14Å; D167-T171 PolarHBondContact O-OG1 2.89Å; D167-T171 VanDerWaalsContact O-OG1 3.05Å; D167-R188 IonicContact OD1-NH2 2.75Å
168A84.9Confident85.4Confident60 Ų6052.6 Ų52.650%0.49631%0.311SS..Hα-helixtrans-66.5-37.4172.900000111.2N165 T171 H172N165-A168 WeakPolarHBondContact O-CA 3.45Å; N165-A168 WeakPolarHBondContact O-CB 3.39Å; N165-A168 PolarHBondContact O-N 2.91Å; A168-T171 WeakPolarHBondContact O-CB 3.42Å; A168-T171 PolarHBondContact O-N 3.46Å; A168-H172 PolarHBondContact O-N 3.36Å
169W84.6Confident85.7Confident30 Ų3058.9 Ų58.911%0.11434%0.339CS..Hα-helixtrans-63.4-40.7174.5-62.6-18.4000112.8S163 N165 A166 D167 T171 H172 C173 I284 E285 D286S163-W169 VanDerWaalsContact OG-CH2 3.28Å; S163-W169 WeakPolarHBondContact OG-CH2 3.36Å; N165-W169 HydrophobicContact CB-CD2 4.4Å; N165-W169 HydrophobicContact CB-CZ2 3.8Å; N165-W169 PolarHBondContact O-N 3.1Å; A166-W169 HydrophobicContact CB-CE3 4.36Å; A166-W169 PolarHBondContact O-N 3.34Å; D167-W169 VanDerWaalsContact C-N 3.33Å; W169-T171 VanDerWaalsContact C-N 3.33Å; W169-T171 PolarHBondContact O-N 3.17Å; W169-H172 PolarHBondContact O-N 3.35Å; W169-C173 PolarHBondContact O-N 2.99Å; W169-C173 PolarHBondContact O-SG 3.32Å; W169-C173 VanDerWaalsContact O-SG 3.35Å; W169-I284 HydrophobicContact CB-CD1 3.48Å; W169-I284 VanDerWaalsContact CB-CD1 3.48Å; W169-I284 HydrophobicContact CD2-CD1 4.46Å; W169-I284 HydrophobicContact CG-CD1 3.63Å; W169-E285 WeakPolarHBondContact CZ2-O 3.3Å; W169-D286 HydrophobicContact CH2-CB 3.84Å; W169-D286 VanDerWaalsContact CH2-CG 3.4Å; W169-D286 VanDerWaalsContact CH2-OD1 3.23Å; W169-D286 WeakPolarHBondContact CH2-OD1 3.3Å; W169-D286 HydrophobicContact CZ2-CB 4.32Å; W169-D286 HydrophobicContact CZ3-CB 4.16Å
170V88.3Confident85.9Confident4 Ų459.8 Ų59.82%0.02434%0.342CS..Hα-helixtrans-58.1-48.7172.1168.70000110.6H159 A166 D167 H172 C173 E174 V186H159-V170 HydrophobicContact CB-CG2 4.2Å; A166-V170 PolarHBondContact O-N 2.97Å; D167-V170 PolarHBondContact O-N 3.14Å; V170-H172 VanDerWaalsContact C-N 3.31Å; V170-H172 PolarHBondContact O-N 3.35Å; V170-C173 PolarHBondContact O-N 3.28Å; V170-C173 VanDerWaalsContact O-N 3.15Å; V170-E174 HydrophobicContact CG1-CG 4.33Å; V170-E174 WeakPolarHBondContact O-CG 3.28Å; V170-E174 PolarHBondContact O-N 2.99Å; V170-V186 HydrophobicContact CG1-CG1 3.88Å; V170-V186 HydrophobicContact CG1-CG2 4.14Å; V170-V186 HydrophobicContact CG2-CG1 3.8Å
171T89.5Confident86.7Confident71 Ų7165.5 Ų65.544%0.43637%0.369SS..Hα-helixtrans-59.5-42.3179.2-53.90000111.5D167 A168 W169 E174 N175D167-T171 PolarHBondContact O-N 3.37Å; D167-T171 VanDerWaalsContact O-N 3.14Å; D167-T171 PolarHBondContact O-OG1 2.89Å; D167-T171 VanDerWaalsContact O-OG1 3.05Å; A168-T171 WeakPolarHBondContact O-CB 3.42Å; A168-T171 PolarHBondContact O-N 3.46Å; W169-T171 VanDerWaalsContact C-N 3.33Å; W169-T171 PolarHBondContact O-N 3.17Å; T171-E174 PolarHBondContact O-N 2.92Å; T171-N175 VanDerWaalsContact O-CG 3.23Å; T171-N175 PolarHBondContact O-N 3.18Å; T171-N175 PolarHBondContact O-ND2 3.36Å
172H86.2Confident87.7Confident44 Ų4463.3 Ų63.320%0.20434%0.344CS..Hα-helixtrans-60.9-48.2174.517688.3000111.9A168 W169 V170 E174 N175 V176 I284A168-H172 PolarHBondContact O-N 3.36Å; W169-H172 PolarHBondContact O-N 3.35Å; V170-H172 VanDerWaalsContact C-N 3.31Å; V170-H172 PolarHBondContact O-N 3.35Å; H172-E174 VanDerWaalsContact C-N 3.32Å; H172-E174 PolarHBondContact O-N 3.03Å; H172-N175 PolarHBondContact O-N 3.46Å; H172-V176 WeakPolarHBondContact O-CG2 3.41Å; H172-V176 PolarHBondContact O-N 2.96Å; H172-I284 HydrophobicContact CB-CG2 3.75Å; H172-I284 VanDerWaalsContact CD2-CG2 3.45Å; H172-I284 WeakPolarHBondContact CD2-CG2 3.48Å
173C89Confident88.7Confident23 Ų2362 Ų6216%0.15534%0.342CS..Hα-helixtrans-61.2-40.3178.2-70.50000112.2H157 W169 V170 C177 L184H157-C173 HydrophobicContact CB-CB 4.35Å; H157-C173 PolarHBondContact ND1-SG 3.01Å; H157-C173 VanDerWaalsContact ND1-SG 3.36Å; W169-C173 PolarHBondContact O-N 2.99Å; W169-C173 PolarHBondContact O-SG 3.32Å; W169-C173 VanDerWaalsContact O-SG 3.35Å; V170-C173 PolarHBondContact O-N 3.28Å; V170-C173 VanDerWaalsContact O-N 3.15Å; C173-C177 VanDerWaalsContact O-CB 3.25Å; C173-C177 WeakPolarHBondContact O-CB 3.2Å; C173-C177 PolarHBondContact O-N 2.93Å; C173-C177 PolarHBondContact O-SG 2.77Å; C173-L184 HydrophobicContact CB-CD2 3.93Å
174E92.8Very high89.7Confident92 Ų9262.9 Ų62.943%0.4334%0.344SS..Hα-helixtrans-59.8-48.2175-74.3173.7169.100111.2V170 T171 H172 C177 Q178 L184V170-E174 HydrophobicContact CG1-CG 4.33Å; V170-E174 WeakPolarHBondContact O-CG 3.28Å; V170-E174 PolarHBondContact O-N 2.99Å; T171-E174 PolarHBondContact O-N 2.92Å; H172-E174 VanDerWaalsContact C-N 3.32Å; H172-E174 PolarHBondContact O-N 3.03Å; E174-C177 PolarHBondContact O-N 3.3Å; E174-Q178 VanDerWaalsContact O-CB 3.29Å; E174-Q178 WeakPolarHBondContact O-CB 3.23Å; E174-Q178 PolarHBondContact O-N 3.17Å; E174-L184 HydrophobicContact CB-CD2 4.35Å; E174-L184 HydrophobicContact CG-CD2 3.76Å
175N92.1Very high90.6Very high92 Ų9259.9 Ų59.949%0.49232%0.316SS..Hα-helixtrans-61-47.1178.4-70.3-26.9000112.3T171 H172 Q178 Q179T171-N175 VanDerWaalsContact O-CG 3.23Å; T171-N175 PolarHBondContact O-N 3.18Å; T171-N175 PolarHBondContact O-ND2 3.36Å; H172-N175 PolarHBondContact O-N 3.46Å; N175-Q178 PolarHBondContact O-N 3.22Å; N175-Q179 WeakPolarHBondContact O-CB 3.22Å; N175-Q179 PolarHBondContact O-N 2.96Å
176V90.2Very high91.4Very high16 Ų1658.9 Ų58.910%0.09731%0.311CS..Hα-helixtrans-62.8-45.7178.8170.90000111L138 H172 Q179 W180L138-V176 HydrophobicContact CD2-CG1 4.31Å; H172-V176 WeakPolarHBondContact O-CG2 3.41Å; H172-V176 PolarHBondContact O-N 2.96Å; V176-Q179 PolarHBondContact O-N 2.9Å; V176-W180 HydrophobicContact CG1-CD2 3.93Å; V176-W180 HydrophobicContact CG1-CE3 3.42Å; V176-W180 VanDerWaalsContact CG1-CE3 3.42Å; V176-W180 HydrophobicContact CG1-CH2 3.63Å; V176-W180 HydrophobicContact CG1-CZ2 4.08Å; V176-W180 HydrophobicContact CG1-CZ3 3.27Å; V176-W180 PolarHBondContact O-N 2.89Å
177C92.5Very high92Very high5 Ų560.5 Ų60.53%0.03432%0.318CS..Hα-helixtrans-66.3-38.7179.4-71.20000112.1C173 E174 W180 Q181 V182 L184C173-C177 VanDerWaalsContact O-CB 3.25Å; C173-C177 WeakPolarHBondContact O-CB 3.2Å; C173-C177 PolarHBondContact O-N 2.93Å; C173-C177 PolarHBondContact O-SG 2.77Å; E174-C177 PolarHBondContact O-N 3.3Å; C177-W180 CarbonylContact O-C 3.52Å; C177-W180 PolarHBondContact O-N 3.22Å; C177-Q181 PolarHBondContact O-N 2.9Å; C177-V182 WeakPolarHBondContact CB-O 3.38Å; C177-V182 PolarHBondContact O-N 2.75Å; C177-L184 HydrophobicContact CB-CB 3.88Å; C177-L184 HydrophobicContact CB-CD2 4.37Å
178Q95.2Very high92.4Very high150 Ų15063 Ų6370%0.70132%0.321SS*.Hα-helixtrans-63.8-46.1174-174.6177.86.300111.4E174 N175 W180 Q181E174-Q178 VanDerWaalsContact O-CB 3.29Å; E174-Q178 WeakPolarHBondContact O-CB 3.23Å; E174-Q178 PolarHBondContact O-N 3.17Å; N175-Q178 PolarHBondContact O-N 3.22Å; Q178-W180 VanDerWaalsContact C-N 3.28Å; Q178-W180 PolarHBondContact O-N 2.84Å; Q178-Q181 PolarHBondContact O-N 3.01Å; Q178-Q181 VanDerWaalsContact O-N 3.17Å
179Q94.4Very high92.5Very high148 Ų14861 Ų6169%0.69230%0.302SS*.Hα-helixtrans-59.1-38.7178-175.4-179.86.500112.1N175 V176N175-Q179 WeakPolarHBondContact O-CB 3.22Å; N175-Q179 PolarHBondContact O-N 2.96Å; V176-Q179 PolarHBondContact O-N 2.9Å
180W95.1Very high92.4Very high38 Ų3868.6 Ų68.614%0.14434%0.339CS..THydrogen-bonded Turntrans-93.97.2179.7-61.9-21.4000114.4T135 L138 H139 V142 R145 V176 C177 Q178 V182 L281T135-W180 HydrophobicContact CG2-CH2 3.85Å; L138-W180 HydrophobicContact CB-CZ3 4.03Å; L138-W180 HydrophobicContact CD2-CE3 3.74Å; L138-W180 HydrophobicContact CD2-CZ3 3.72Å; L138-W180 HydrophobicContact CG-CE3 3.73Å; L138-W180 HydrophobicContact CG-CZ3 3.7Å; H139-W180 HydrophobicContact CB-CH2 3.88Å; H139-W180 HydrophobicContact CB-CZ2 4.34Å; H139-W180 HydrophobicContact CB-CZ3 4.2Å; V142-W180 HydrophobicContact CG1-CB 4.31Å; V142-W180 HydrophobicContact CG2-CB 4Å; V142-W180 HydrophobicContact CG2-CE3 4.41Å; R145-W180 PolarHBondContact NH2-O 2.85Å; V176-W180 HydrophobicContact CG1-CD2 3.93Å; V176-W180 HydrophobicContact CG1-CE3 3.42Å; V176-W180 VanDerWaalsContact CG1-CE3 3.42Å; V176-W180 HydrophobicContact CG1-CH2 3.63Å; V176-W180 HydrophobicContact CG1-CZ2 4.08Å; V176-W180 HydrophobicContact CG1-CZ3 3.27Å; V176-W180 PolarHBondContact O-N 2.89Å; C177-W180 CarbonylContact O-C 3.52Å; C177-W180 PolarHBondContact O-N 3.22Å; Q178-W180 VanDerWaalsContact C-N 3.28Å; Q178-W180 PolarHBondContact O-N 2.84Å; W180-V182 VanDerWaalsContact C-N 3.32Å; W180-V182 HydrophobicContact CB-CG2 4.2Å; W180-V182 PolarHBondContact O-N 3.46Å; W180-L281 HydrophobicContact CH2-CD2 4.44Å; W180-L281 HydrophobicContact CZ2-CD2 3.99Å
181Q96Very high92Very high161 Ų16170.3 Ų70.375%0.75235%0.348SS*.THydrogen-bonded Turntrans52.348.2-178.9-55.8-176.4-44.500112.6R145 C177 Q178R145-Q181 PolarHBondContact NH1-O 2.98Å; C177-Q181 PolarHBondContact O-N 2.9Å; Q178-Q181 PolarHBondContact O-N 3.01Å; Q178-Q181 VanDerWaalsContact O-N 3.17Å
182V96.6Very high90.9Very high9 Ų969.1 Ų69.16%0.05535%0.346CS..  trans-113123.9176.4-179.50000108.6L138 V142 L153 A155 C177 W180 L184L138-V182 HydrophobicContact CD1-CG1 4.27Å; L138-V182 HydrophobicContact CD1-CG2 4.34Å; V142-V182 HydrophobicContact CG2-CG2 3.63Å; L153-V182 HydrophobicContact CD2-CG1 4.49Å; L153-V182 HydrophobicContact CD2-CG2 4.05Å; L153-V182 HydrophobicContact CG-CG1 4.16Å; A155-V182 HydrophobicContact CB-CG1 3.95Å; C177-V182 WeakPolarHBondContact CB-O 3.38Å; C177-V182 PolarHBondContact O-N 2.75Å; W180-V182 VanDerWaalsContact C-N 3.32Å; W180-V182 HydrophobicContact CB-CG2 4.2Å; W180-V182 PolarHBondContact O-N 3.46Å; V182-L184 PolarHBondContact O-N 3.38Å
183P96.6Very high90Very high77 Ų7776.9 Ų76.950%0.538%0.382SS..  trans-59.2128.8170.9-22.933.4000111.1L153 R154 A155L153-P183 WeakPolarHBondContact O-CD 2.91Å; R154-P183 WeakPolarHBondContact CA-O 3.45Å; R154-P183 HydrophobicContact CG-CB 4.2Å; R154-P183 HydrophobicContact CG-CG 4.38Å; A155-P183 PolarHBondContact N-O 3.03Å
184L97Very high88.8Confident45 Ų4582.1 Ų82.124%0.23640%0.404CS..EExtended strand (participates in β ladder)trans-109.7130.3178.4178.664.5000110.6A155 H157 C173 E174 C177 V182 V186A155-L184 HydrophobicContact CB-CD1 3.83Å; A155-L184 WeakPolarHBondContact O-CA 3.03Å; H157-L184 HydrophobicContact CB-CD1 4.2Å; C173-L184 HydrophobicContact CB-CD2 3.93Å; E174-L184 HydrophobicContact CB-CD2 4.35Å; E174-L184 HydrophobicContact CG-CD2 3.76Å; C177-L184 HydrophobicContact CB-CB 3.88Å; C177-L184 HydrophobicContact CB-CD2 4.37Å; V182-L184 PolarHBondContact O-N 3.38Å; L184-V186 HydrophobicContact CD2-CG2 3.78Å; L184-V186 HydrophobicContact CG-CG2 3.87Å
185V96.2Very high87.5Confident36 Ų3681.6 Ų81.622%0.21842%0.423CS..EExtended strand (participates in β ladder)trans-99.9128.5165.1-176.90000108.5A155 I156 H157 E187 T213A155-V185 PolarHBondContact O-N 3.11Å; I156-V185 CarbonylContact C-O 3.53Å; I156-V185 VanDerWaalsContact CA-O 3.26Å; I156-V185 WeakPolarHBondContact CA-O 3.26Å; I156-V185 HydrophobicContact CB-CB 4.49Å; I156-V185 HydrophobicContact CG1-CB 4.4Å; H157-V185 PolarHBondContact N-O 2.94Å; V185-E187 HydrophobicContact CG1-CG 4.11Å; V185-T213 HydrophobicContact CG1-CG2 3.88Å
186V95.2Very high86.1Confident37 Ų3782.4 Ų82.422%0.22443%0.427CS..EExtended strand (participates in β ladder)trans-111.9107.2175.3-177.10000108.8H157 V170 L184H157-V186 WeakPolarHBondContact O-CA 3.41Å; V170-V186 HydrophobicContact CG1-CG1 3.88Å; V170-V186 HydrophobicContact CG1-CG2 4.14Å; V170-V186 HydrophobicContact CG2-CG1 3.8Å; L184-V186 HydrophobicContact CD2-CG2 3.78Å; L184-V186 HydrophobicContact CG-CG2 3.87Å
187E94.4Very high85.3Confident40 Ų4083.9 Ų83.919%0.18745%0.445CS..EExtended strand (participates in β ladder)trans-98.2118.9177.9-75.4-65.3158.200110.2I156 H157 V158 H159 V185 A209 R212 T213I156-E187 HydrophobicContact CD1-CG 4.02Å; H157-E187 PolarHBondContact O-N 3.49Å; V158-E187 CarbonylContact C-O 3.56Å; V158-E187 WeakPolarHBondContact CA-O 3.36Å; H159-E187 PolarHBondContact N-O 3.35Å; V185-E187 HydrophobicContact CG1-CG 4.11Å; E187-A209 HydrophobicContact CB-CB 4.06Å; E187-A209 HydrophobicContact CG-CB 4.29Å; E187-R212 IonicContact OE2-CZ 3.9Å; E187-R212 IonicContact OE2-NE 3.35Å; E187-R212 IonicContact OE2-NH2 3.47Å; E187-R212 PolarHBondContact OE2-NH2 3.45Å; E187-T213 HydrophobicContact CG-CG2 3.49Å; E187-T213 VanDerWaalsContact CG-CG2 3.49Å; E187-T213 WeakPolarHBondContact OE1-CG2 3.31Å
188R93.6Very high84.6Confident144 Ų14487.4 Ų87.454%0.54346%0.463SS..EExtended strand (participates in β ladder)trans-91.8112.1172.1-75.5177.916982.60.4108.8H159 D167H159-R188 HydrophobicContact CB-CG 3.91Å; D167-R188 IonicContact OD1-NH2 2.75Å
189V87.5Confident83.6Confident19 Ų1983 Ų8312%0.11544%0.442CS..  trans-104142.1-179.2-62.50000110.9V158 H159 H160 L191 A205 A209V158-V189 HydrophobicContact CG1-CB 4.39Å; V158-V189 HydrophobicContact CG1-CG1 3.83Å; V158-V189 HydrophobicContact CG1-CG2 3.63Å; H159-V189 PolarHBondContact O-N 3.23Å; H160-V189 VanDerWaalsContact ND1-CG2 3.28Å; H160-V189 WeakPolarHBondContact ND1-CG2 3.41Å; V189-L191 HydrophobicContact CG2-CD2 4.31Å; V189-A205 HydrophobicContact CB-CB 4.16Å; V189-A205 HydrophobicContact CG2-CB 4.01Å; V189-A209 HydrophobicContact CG1-CB 3.93Å
190Q82.1Confident82.8Confident190 Ų19078 Ų7889%0.88843%0.427SS*.PPolyproline II helixtrans-98129.5170.9-67-176.3-19.700109.2
191L79.8Confident82.2Confident40 Ų4077.7 Ų77.721%0.20943%0.427CS..PPolyproline II helixtrans-87.9118.2175.6-51.5-176.9000108.7L162 V189 I198 Q201 A202 A205L162-L191 HydrophobicContact CD1-CD1 3.57Å; L162-L191 HydrophobicContact CD2-CD1 3.87Å; L162-L191 HydrophobicContact CG-CD1 3.76Å; V189-L191 HydrophobicContact CG2-CD2 4.31Å; L191-I198 HydrophobicContact CD1-CG2 4.38Å; L191-Q201 HydrophobicContact CB-CG 4Å; L191-Q201 HydrophobicContact CD2-CG 3.99Å; L191-Q201 HydrophobicContact CG-CG 4.48Å; L191-A202 HydrophobicContact CD1-CB 4.23Å; L191-A202 HydrophobicContact CD2-CB 4.31Å; L191-A205 HydrophobicContact CD2-CB 3.82Å
192A67.6Low81.5Confident46 Ų4670.7 Ų70.738%0.3840%0.396SS..PPolyproline II helixtrans-83.3130.417900000112.9E194 Q201A192-E194 VanDerWaalsContact C-N 3.29Å; A192-E194 HydrophobicContact CB-CG 4.01Å; A192-E194 PolarHBondContact O-N 2.96Å; A192-Q201 VanDerWaalsContact C-NE2 3.31Å; A192-Q201 VanDerWaalsContact CA-NE2 3.33Å; A192-Q201 VanDerWaalsContact N-CD 3.26Å; A192-Q201 PolarHBondContact O-NE2 3.09Å; A192-Q201 PolarHBondContact O-OE1 3.46Å
193Q66.4Low80.9Confident206 Ų20674.2 Ų74.296%0.96341%0.409SS*.  trans-7276.2-178.1-62.4-177.84.200113.6
194E64.4Low80.4Confident134 Ų13474.8 Ų74.863%0.62640%0.404SS*.  trans-104.513-173.5-66.4-17517000113.4A192 L196A192-E194 VanDerWaalsContact C-N 3.29Å; A192-E194 HydrophobicContact CB-CG 4.01Å; A192-E194 PolarHBondContact O-N 2.96Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 3.25Å
195G64.2Low80Confident80 Ų8073 Ų7383%0.82540%0.397SS*.SBendtrans78.7-0.4171.200000116.8G197G195-G197 VanDerWaalsContact C-N 3.25Å; G195-G197 PolarHBondContact O-N 3Å
196L63.5Low79.7Confident110 Ų11075.4 Ų75.458%0.57640%0.402SS*.SBendtrans-77.7-2.1-179.7-69.8169.4000114.8E194 A200E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 3.25Å; L196-A200 HydrophobicContact CB-CB 4.16Å; L196-A200 VanDerWaalsContact O-CB 3.25Å; L196-A200 WeakPolarHBondContact O-CB 3.4Å
197G72.7Confident79.4Confident47 Ų4775.3 Ų75.349%0.48540%0.398SS..  trans82.4148.9-169.700000112.1G195 E199 A200 Q201G195-G197 VanDerWaalsContact C-N 3.25Å; G195-G197 PolarHBondContact O-N 3Å; G197-E199 PolarHBondContact O-N 3.46Å; G197-A200 PolarHBondContact O-N 3.26Å; G197-Q201 PolarHBondContact O-N 2.97Å; G197-Q201 VanDerWaalsContact O-N 3.15Å
198I77.3Confident79.3Confident78 Ų7878.9 Ų78.940%0.441%0.414SS..Hα-helixtrans-60.7-42.3-173-65.5167.1000111.5L162 L191 Q201 A202 Y294L162-I198 HydrophobicContact CD1-CG2 3.55Å; L162-I198 HydrophobicContact CD2-CG2 4.15Å; L191-I198 HydrophobicContact CD1-CG2 4.38Å; I198-Q201 PolarHBondContact O-N 2.97Å; I198-A202 VanDerWaalsContact O-CB 3.29Å; I198-A202 WeakPolarHBondContact O-CB 3.5Å; I198-A202 PolarHBondContact O-N 2.92Å; I198-Y294 HydrophobicContact CB-CE1 4.1Å
199E75.5Confident79.3Confident57 Ų5772 Ų7227%0.26639%0.389SS..Hα-helixtrans-61.8-47.5179.6-170.4-165.1164.300112.3G197 Q201 A202 R203 Y294 R296G197-E199 PolarHBondContact O-N 3.46Å; E199-Q201 VanDerWaalsContact C-N 3.27Å; E199-Q201 PolarHBondContact O-N 3Å; E199-A202 PolarHBondContact O-N 3.39Å; E199-R203 WeakPolarHBondContact O-CB 3.42Å; E199-R203 PolarHBondContact O-N 3.48Å; E199-Y294 HydrophobicContact CB-CD1 3.79Å; E199-Y294 HydrophobicContact CB-CE1 4.29Å; E199-Y294 HydrophobicContact CB-CG 4.36Å; E199-R296 WeakPolarHBondContact OE1-CB 3.18Å; E199-R296 IonicContact OE1-CZ 2.72Å; E199-R296 IonicContact OE1-NH1 3.47Å; E199-R296 PolarHBondContact OE1-NH1 3.06Å
200A76.6Confident79.6Confident45 Ų4572.3 Ų72.337%0.37239%0.388SS..Hα-helixtrans-63.2-39.7-17900000110.9L196 G197 Q204L196-A200 HydrophobicContact CB-CB 4.16Å; L196-A200 VanDerWaalsContact O-CB 3.25Å; L196-A200 WeakPolarHBondContact O-CB 3.4Å; G197-A200 PolarHBondContact O-N 3.26Å; A200-Q204 WeakPolarHBondContact O-CB 3.45Å; A200-Q204 PolarHBondContact O-N 3.23Å
201Q83.1Confident80.1Confident31 Ų3165.2 Ų65.215%0.14536%0.363CS..Hα-helixtrans-70.7-47.2177176.215754.400113.4L191 A192 G197 I198 E199 R203 Q204 A205L191-Q201 HydrophobicContact CB-CG 4Å; L191-Q201 HydrophobicContact CD2-CG 3.99Å; L191-Q201 HydrophobicContact CG-CG 4.48Å; A192-Q201 VanDerWaalsContact C-NE2 3.31Å; A192-Q201 VanDerWaalsContact CA-NE2 3.33Å; A192-Q201 VanDerWaalsContact N-CD 3.26Å; A192-Q201 PolarHBondContact O-NE2 3.09Å; A192-Q201 PolarHBondContact O-OE1 3.46Å; G197-Q201 PolarHBondContact O-N 2.97Å; G197-Q201 VanDerWaalsContact O-N 3.15Å; I198-Q201 PolarHBondContact O-N 2.97Å; E199-Q201 VanDerWaalsContact C-N 3.27Å; E199-Q201 PolarHBondContact O-N 3Å; Q201-R203 PolarHBondContact O-N 3.44Å; Q201-Q204 PolarHBondContact O-N 2.89Å; Q201-Q204 VanDerWaalsContact O-N 3.1Å; Q201-A205 WeakPolarHBondContact O-CB 3.45Å; Q201-A205 PolarHBondContact O-N 3.14Å
202A80.8Confident80.7Confident13 Ų1371.1 Ų71.111%0.10738%0.382CS..Hα-helixtrans-57.8-40.2175.800000110.3H160 L191 I198 E199 R206H160-A202 PolarHBondContact CE1-O 3.3Å; L191-A202 HydrophobicContact CD1-CB 4.23Å; L191-A202 HydrophobicContact CD2-CB 4.31Å; I198-A202 VanDerWaalsContact O-CB 3.29Å; I198-A202 WeakPolarHBondContact O-CB 3.5Å; I198-A202 PolarHBondContact O-N 2.92Å; E199-A202 PolarHBondContact O-N 3.39Å; A202-R206 WeakPolarHBondContact O-CB 3.4Å; A202-R206 PolarHBondContact O-N 2.97Å
203R84.3Confident81.9Confident84 Ų8470.1 Ų70.132%0.31737%0.371SS..Hα-helixtrans-60.3-51.4171.7-175177.4175.781.37111.8E199 Q201 R206 Y207E199-R203 WeakPolarHBondContact O-CB 3.42Å; E199-R203 PolarHBondContact O-N 3.48Å; Q201-R203 PolarHBondContact O-N 3.44Å; R203-R206 WeakPolarHBondContact O-CB 3.44Å; R203-R206 PolarHBondContact O-N 3.3Å; R203-Y207 HydrophobicContact CG-CD2 3.88Å; R203-Y207 HydrophobicContact CG-CE2 3.82Å; R203-Y207 PolarHBondContact NH2-OH 2.91Å; R203-Y207 VanDerWaalsContact O-CD2 3.25Å; R203-Y207 WeakPolarHBondContact O-CD2 3.4Å; R203-Y207 PolarHBondContact O-N 3.11Å
204Q85.8Confident83.2Confident88 Ų8861.8 Ų61.841%0.41133%0.333SS..Hα-helixtrans-61.4-47.7-179.9-177.7176.2-18.400112.1A200 Q201 R206 Y207 Q208A200-Q204 WeakPolarHBondContact O-CB 3.45Å; A200-Q204 PolarHBondContact O-N 3.23Å; Q201-Q204 PolarHBondContact O-N 2.89Å; Q201-Q204 VanDerWaalsContact O-N 3.1Å; Q204-R206 VanDerWaalsContact C-N 3.3Å; Q204-R206 PolarHBondContact O-N 2.99Å; Q204-Y207 PolarHBondContact O-N 2.62Å; Q204-Q208 HydrophobicContact CG-CG 4.49Å; Q204-Q208 WeakPolarHBondContact O-CG 3.45Å; Q204-Q208 PolarHBondContact O-N 3.14Å
205A88.7Confident84.6Confident9 Ų960 Ų607%0.07433%0.327CS..Hα-helixtrans-60.3-40.2177.700000111.7V189 L191 Q201 Q208 A209V189-A205 HydrophobicContact CB-CB 4.16Å; V189-A205 HydrophobicContact CG2-CB 4.01Å; L191-A205 HydrophobicContact CD2-CB 3.82Å; Q201-A205 WeakPolarHBondContact O-CB 3.45Å; Q201-A205 PolarHBondContact O-N 3.14Å; A205-Q208 PolarHBondContact O-N 3.05Å; A205-A209 WeakPolarHBondContact O-CB 3.23Å; A205-A209 PolarHBondContact O-N 3.19Å
206R89.8Confident85.9Confident86 Ų8662.7 Ų62.733%0.32533%0.33SS..Hα-helixtrans-59.8-50.1174-179.516949169.3-10.9112.3V158 A202 R203 Q204 Q208 A209 F210V158-R206 HydrophobicContact CG2-CG 4.23Å; A202-R206 WeakPolarHBondContact O-CB 3.4Å; A202-R206 PolarHBondContact O-N 2.97Å; R203-R206 WeakPolarHBondContact O-CB 3.44Å; R203-R206 PolarHBondContact O-N 3.3Å; Q204-R206 VanDerWaalsContact C-N 3.3Å; Q204-R206 PolarHBondContact O-N 2.99Å; R206-Q208 VanDerWaalsContact C-N 3.33Å; R206-Q208 PolarHBondContact O-N 3.03Å; R206-A209 WeakPolarHBondContact O-CB 3.21Å; R206-A209 PolarHBondContact O-N 2.65Å; R206-F210 HydrophobicContact CG-CD2 4.2Å; R206-F210 HydrophobicContact CG-CE1 3.94Å; R206-F210 HydrophobicContact CG-CE2 3.48Å; R206-F210 VanDerWaalsContact CG-CE2 3.48Å; R206-F210 HydrophobicContact CG-CZ 3.33Å; R206-F210 WeakPolarHBondContact O-CD2 3.39Å; R206-F210 VanDerWaalsContact O-CG 3.23Å; R206-F210 WeakPolarHBondContact O-CG 3.39Å; R206-F210 PolarHBondContact O-N 2.84Å
207Y89.7Confident87.1Confident34 Ų3461 Ų6113%0.13334%0.34CS..Hα-helixtrans-67-34178.3-81.1-79000112.1R203 Q204 F210 A211 F255 L260R203-Y207 HydrophobicContact CG-CD2 3.88Å; R203-Y207 HydrophobicContact CG-CE2 3.82Å; R203-Y207 PolarHBondContact NH2-OH 2.91Å; R203-Y207 VanDerWaalsContact O-CD2 3.25Å; R203-Y207 WeakPolarHBondContact O-CD2 3.4Å; R203-Y207 PolarHBondContact O-N 3.11Å; Q204-Y207 PolarHBondContact O-N 2.62Å; Y207-F210 HydrophobicContact CD1-CD2 4.09Å; Y207-F210 HydrophobicContact CG-CD2 4.5Å; Y207-F210 PolarHBondContact O-N 3.26Å; Y207-A211 WeakPolarHBondContact O-CB 3.41Å; Y207-A211 PolarHBondContact O-N 3.44Å; Y207-F255 HydrophobicContact CD1-CD2 4.14Å; Y207-F255 AromaticContact CD1-CE2 3.43Å; Y207-F255 HydrophobicContact CD1-CE2 3.43Å; Y207-F255 VanDerWaalsContact CD1-CE2 3.43Å; Y207-F255 AromaticContact CD1-CZ 3.81Å; Y207-F255 HydrophobicContact CD1-CZ 3.81Å; Y207-F255 HydrophobicContact CE1-CE2 4.26Å; Y207-F255 HydrophobicContact CG-CE2 4.24Å; Y207-F255 WeakPolarHBondContact O-CZ 3.11Å; Y207-L260 HydrophobicContact CE1-CD2 3.94Å
208Q92Very high88.2Confident115 Ų11561 Ų6154%0.53733%0.327SS..Hα-helixtrans-65.6-41.5172.7-73.3174.2-12.700112.1Q204 A205 R206 A211 R212Q204-Q208 HydrophobicContact CG-CG 4.49Å; Q204-Q208 WeakPolarHBondContact O-CG 3.45Å; Q204-Q208 PolarHBondContact O-N 3.14Å; A205-Q208 PolarHBondContact O-N 3.05Å; R206-Q208 VanDerWaalsContact C-N 3.33Å; R206-Q208 PolarHBondContact O-N 3.03Å; Q208-A211 PolarHBondContact O-N 3.04Å; Q208-R212 WeakPolarHBondContact O-CB 3.46Å; Q208-R212 PolarHBondContact O-N 2.93Å
209A93.2Very high89Confident1 Ų159.4 Ų59.41%0.00832%0.321CS..Hα-helixtrans-59.9-47.6173.900000110.8V158 E187 V189 A205 R206 A211 R212 T213V158-A209 HydrophobicContact CG1-CB 4.34Å; V158-A209 HydrophobicContact CG2-CB 4.01Å; E187-A209 HydrophobicContact CB-CB 4.06Å; E187-A209 HydrophobicContact CG-CB 4.29Å; V189-A209 HydrophobicContact CG1-CB 3.93Å; A205-A209 WeakPolarHBondContact O-CB 3.23Å; A205-A209 PolarHBondContact O-N 3.19Å; R206-A209 WeakPolarHBondContact O-CB 3.21Å; R206-A209 PolarHBondContact O-N 2.65Å; A209-A211 PolarHBondContact O-N 2.89Å; A209-R212 PolarHBondContact O-N 2.66Å; A209-T213 WeakPolarHBondContact O-CG2 3.18Å; A209-T213 PolarHBondContact O-N 3.22Å; A209-T213 VanDerWaalsContact O-N 3.09Å; A209-T213 PolarHBondContact O-OG1 3.21Å
210F93.7Very high90Very high24 Ų2457.4 Ų57.411%0.10531%0.312CS..Hα-helixtrans-55.3-50.3174.7-62-23.4000111.8I156 V158 R206 Y207 R212 T213 L214 L220 F255I156-F210 HydrophobicContact CD1-CD1 3.79Å; I156-F210 HydrophobicContact CD1-CE1 4.26Å; I156-F210 HydrophobicContact CG1-CD1 4.41Å; I156-F210 HydrophobicContact CG1-CE1 4.43Å; I156-F210 HydrophobicContact CG2-CD1 3.8Å; I156-F210 HydrophobicContact CG2-CE1 3.69Å; V158-F210 HydrophobicContact CG2-CD1 4.19Å; V158-F210 HydrophobicContact CG2-CE1 3.7Å; V158-F210 HydrophobicContact CG2-CZ 4.49Å; R206-F210 HydrophobicContact CG-CD2 4.2Å; R206-F210 HydrophobicContact CG-CE1 3.94Å; R206-F210 HydrophobicContact CG-CE2 3.48Å; R206-F210 VanDerWaalsContact CG-CE2 3.48Å; R206-F210 HydrophobicContact CG-CZ 3.33Å; R206-F210 WeakPolarHBondContact O-CD2 3.39Å; R206-F210 VanDerWaalsContact O-CG 3.23Å; R206-F210 WeakPolarHBondContact O-CG 3.39Å; R206-F210 PolarHBondContact O-N 2.84Å; Y207-F210 HydrophobicContact CD1-CD2 4.09Å; Y207-F210 HydrophobicContact CG-CD2 4.5Å; Y207-F210 PolarHBondContact O-N 3.26Å; F210-R212 VanDerWaalsContact C-N 3.3Å; F210-R212 PolarHBondContact O-N 3.15Å; F210-T213 PolarHBondContact O-N 3.43Å; F210-T213 PolarHBondContact O-OG1 2.93Å; F210-L214 WeakPolarHBondContact O-CB 3.11Å; F210-L214 PolarHBondContact O-N 3.02Å; F210-L214 VanDerWaalsContact O-N 3.16Å; F210-L220 HydrophobicContact CB-CD1 4.42Å; F210-L220 HydrophobicContact CB-CD2 3.92Å; F210-L220 HydrophobicContact CD2-CD1 4.39Å; F210-L220 HydrophobicContact CD2-CD2 3.72Å; F210-L220 HydrophobicContact CG-CD1 4.26Å; F210-L220 HydrophobicContact CG-CD2 4.06Å; F210-F255 HydrophobicContact CB-CE1 4.02Å; F210-F255 HydrophobicContact CB-CZ 4.07Å
211A93.3Very high91Very high42 Ų4257.4 Ų57.435%0.34731%0.307SS..Hα-helixtrans-60.1-38.2-179.800000112.7Y207 Q208 A209 F255 A256Y207-A211 WeakPolarHBondContact O-CB 3.41Å; Y207-A211 PolarHBondContact O-N 3.44Å; Q208-A211 PolarHBondContact O-N 3.04Å; A209-A211 PolarHBondContact O-N 2.89Å; A211-F255 HydrophobicContact CB-CE1 4.34Å; A211-F255 HydrophobicContact CB-CZ 4.06Å; A211-A256 HydrophobicContact CB-CB 3.78Å
212R93.3Very high91.6Very high164 Ų16456.5 Ų56.562%0.61930%0.304SS*.Hα-helixtrans-69.6-35.9179.5-179.3172.165.6-155.30.9113.2E187 Q208 A209 F210E187-R212 IonicContact OE2-CZ 3.9Å; E187-R212 IonicContact OE2-NE 3.35Å; E187-R212 IonicContact OE2-NH2 3.47Å; E187-R212 PolarHBondContact OE2-NH2 3.45Å; Q208-R212 WeakPolarHBondContact O-CB 3.46Å; Q208-R212 PolarHBondContact O-N 2.93Å; A209-R212 PolarHBondContact O-N 2.66Å; F210-R212 VanDerWaalsContact C-N 3.3Å; F210-R212 PolarHBondContact O-N 3.15Å
213T92.4Very high92.2Very high24 Ų2456.6 Ų56.615%0.14730%0.304CS..Hα-helixtrans-94.2-5.5-173.557.30000114.7R154 I156 V185 E187 A209 F210R154-T213 PolarHBondContact NH2-O 3.16Å; I156-T213 HydrophobicContact CD1-CG2 4.08Å; I156-T213 WeakPolarHBondContact CD1-OG1 3.22Å; V185-T213 HydrophobicContact CG1-CG2 3.88Å; E187-T213 HydrophobicContact CG-CG2 3.49Å; E187-T213 VanDerWaalsContact CG-CG2 3.49Å; E187-T213 WeakPolarHBondContact OE1-CG2 3.31Å; A209-T213 WeakPolarHBondContact O-CG2 3.18Å; A209-T213 PolarHBondContact O-N 3.22Å; A209-T213 VanDerWaalsContact O-N 3.09Å; A209-T213 PolarHBondContact O-OG1 3.21Å; F210-T213 PolarHBondContact O-N 3.43Å; F210-T213 PolarHBondContact O-OG1 2.93Å
214L93.4Very high92.7Very high32 Ų3253.8 Ų53.817%0.16830%0.295CS..PPolyproline II helixtrans-76.9127.5-177.3-16459.9000110F210 E218 L220 F255 A256 T258F210-L214 WeakPolarHBondContact O-CB 3.11Å; F210-L214 PolarHBondContact O-N 3.02Å; F210-L214 VanDerWaalsContact O-N 3.16Å; L214-E218 HydrophobicContact CD1-CB 3.88Å; L214-E218 HydrophobicContact CD1-CG 3.89Å; L214-E218 HydrophobicContact CG-CB 4.43Å; L214-L220 HydrophobicContact CD1-CB 4.43Å; L214-F255 HydrophobicContact CD2-CD1 4.27Å; L214-F255 HydrophobicContact CD2-CE1 4.38Å; L214-A256 HydrophobicContact CD2-CB 4.46Å; L214-T258 HydrophobicContact CD2-CG2 3.25Å; L214-T258 HydrophobicContact CG-CG2 4.17Å
215L93.4Very high93.1Very high96 Ų9649.7 Ų49.750%0.50328%0.276SS..PPolyproline II helixtrans-79.8149.9177.5-62.7174000110.6G217 E218L215-G217 PolarHBondContact O-N 3.09Å; L215-E218 HydrophobicContact CB-CB 4.21Å; L215-E218 PolarHBondContact N-OE2 2.77Å; L215-E218 VanDerWaalsContact O-CB 3.22Å; L215-E218 WeakPolarHBondContact O-CB 3.36Å; L215-E218 PolarHBondContact O-N 3.02Å
216P90.7Very high93.3Very high136 Ų13649.6 Ų49.688%0.88327%0.274SS*.THydrogen-bonded Turntrans-55.3125.3173.9-25.234.5000111.7E218P216-E218 VanDerWaalsContact C-N 3.33Å
217G89.7Confident93.4Very high76 Ų7646.9 Ų46.978%0.78427%0.266SS*.THydrogen-bonded Turntrans85.8-6-178.100000115.3L215L215-G217 PolarHBondContact O-N 3.09Å
218E95Very high93.5Very high47 Ų4746.3 Ų46.322%0.2227%0.265CS..  trans-76.1151.7173.5-166.8174-152.400111R154 L214 L215 P216 T258R154-E218 IonicContact CZ-OE1 2.79Å; R154-E218 IonicContact CZ-OE2 3.41Å; R154-E218 IonicContact NE-OE1 3.15Å; R154-E218 PolarHBondContact NE-OE1 2.96Å; R154-E218 IonicContact NE-OE2 2.76Å; R154-E218 VanDerWaalsContact NH2-CD 3.31Å; R154-E218 IonicContact NH2-OE1 2.72Å; R154-E218 PolarHBondContact NH2-OE1 3.5Å; R154-E218 VanDerWaalsContact NH2-OE1 3.15Å; R154-E218 IonicContact NH2-OE2 3.39Å; R154-E218 PolarHBondContact NH2-OE2 3.43Å; L214-E218 HydrophobicContact CD1-CB 3.88Å; L214-E218 HydrophobicContact CD1-CG 3.89Å; L214-E218 HydrophobicContact CG-CB 4.43Å; L215-E218 HydrophobicContact CB-CB 4.21Å; L215-E218 PolarHBondContact N-OE2 2.77Å; L215-E218 VanDerWaalsContact O-CB 3.22Å; L215-E218 WeakPolarHBondContact O-CB 3.36Å; L215-E218 PolarHBondContact O-N 3.02Å; P216-E218 VanDerWaalsContact C-N 3.33Å; E218-T258 WeakPolarHBondContact O-CB 3.43Å; E218-T258 VanDerWaalsContact O-CG2 3.26Å; E218-T258 WeakPolarHBondContact O-CG2 3.3Å; E218-T258 PolarHBondContact O-OG1 2.87Å
219V95Very high93.8Very high44 Ų4441.3 Ų41.327%0.26724%0.242SC..  trans-111.2131178.6174.10000108.8V221 R259 I261V219-V221 HydrophobicContact CG1-CG2 4.36Å; V219-R259 HydrophobicContact CG1-CB 4.26Å; V219-R259 WeakPolarHBondContact CG1-O 3.47Å; V219-I261 HydrophobicContact CG1-CB 4.45Å; V219-I261 HydrophobicContact CG1-CD1 3.54Å; V219-I261 HydrophobicContact CG1-CG1 3.64Å
220L97.1Very high93.9Very high14 Ų1441.3 Ų41.37%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-81.7130.9174-179.363.7000109.5F210 L214 T222 F255 R259 L260 I261F210-L220 HydrophobicContact CB-CD1 4.42Å; F210-L220 HydrophobicContact CB-CD2 3.92Å; F210-L220 HydrophobicContact CD2-CD1 4.39Å; F210-L220 HydrophobicContact CD2-CD2 3.72Å; F210-L220 HydrophobicContact CG-CD1 4.26Å; F210-L220 HydrophobicContact CG-CD2 4.06Å; L214-L220 HydrophobicContact CD1-CB 4.43Å; L220-T222 HydrophobicContact CG-CG2 4.45Å; L220-F255 HydrophobicContact CB-CD1 4.35Å; L220-F255 HydrophobicContact CD2-CD1 3.62Å; L220-F255 HydrophobicContact CD2-CE1 3.49Å; L220-F255 VanDerWaalsContact CD2-CE1 3.49Å; L220-F255 HydrophobicContact CD2-CG 4.39Å; L220-F255 HydrophobicContact CD2-CZ 4.19Å; L220-R259 PolarHBondContact N-O 3.35Å; L220-L260 HydrophobicContact CB-CD1 4.23Å; L220-L260 HydrophobicContact CD2-CD1 3.86Å; L220-L260 HydrophobicContact CG-CD1 3.81Å; L220-L260 CarbonylContact O-C 3.58Å; L220-L260 VanDerWaalsContact O-CA 3.28Å; L220-L260 WeakPolarHBondContact O-CA 3.18Å; L220-I261 PolarHBondContact O-N 3.38Å
221V97.2Very high94Very high45 Ų4540.2 Ų40.227%0.27324%0.237SC..EExtended strand (participates in β ladder)trans-122.4134177-167.60000109.2L137 L141 V219 I261 P263L137-V221 HydrophobicContact CD1-CG1 4.05Å; L137-V221 HydrophobicContact CD2-CG1 3.97Å; L141-V221 HydrophobicContact CD1-CB 4.46Å; L141-V221 HydrophobicContact CD1-CG1 4.41Å; V219-V221 HydrophobicContact CG1-CG2 4.36Å; V221-I261 WeakPolarHBondContact CA-O 3.18Å; V221-P263 VanDerWaalsContact CG1-CD 3.44Å; V221-P263 HydrophobicContact CG1-CG 3.6Å
222T95.5Very high94.1Very high12 Ų1239.3 Ų39.37%0.07423%0.227CC..  trans-127.6147.7-178.348.40000112.2L137 L220 Q224 L260 I261L137-T222 VanDerWaalsContact CD2-C 3.43Å; L220-T222 HydrophobicContact CG-CG2 4.45Å; T222-Q224 VanDerWaalsContact CB-OE1 3.25Å; T222-Q224 PolarHBondContact O-N 3.13Å; T222-Q224 VanDerWaalsContact O-N 3.14Å; T222-Q224 PolarHBondContact OG1-OE1 2.68Å; T222-L260 HydrophobicContact CG2-CD1 3.72Å; T222-L260 WeakPolarHBondContact OG1-CD1 3.22Å; T222-I261 PolarHBondContact N-O 3.38Å
223A93.8Very high94.3Very high15 Ų1532.7 Ų32.712%0.12420%0.203CC..  trans-85.229-174.600000113.7D133 L137 L264D133-A223 HydrophobicContact CB-CB 4.04Å; D133-A223 WeakPolarHBondContact O-CB 3.35Å; L137-A223 HydrophobicContact CB-CB 3.84Å; L137-A223 HydrophobicContact CD2-CB 3.77Å; L137-A223 HydrophobicContact CG-CB 4.44Å; A223-L264 HydrophobicContact CB-CD1 4.24Å
224Q94.3Very high94.5Very high25 Ų2532.7 Ų32.712%0.11720%0.202CC..  trans-68.5138.6175.3-70.4100.526.500110.4T222 D228 M249 R262 L264 L265T222-Q224 VanDerWaalsContact CB-OE1 3.25Å; T222-Q224 PolarHBondContact O-N 3.13Å; T222-Q224 VanDerWaalsContact O-N 3.14Å; T222-Q224 PolarHBondContact OG1-OE1 2.68Å; Q224-D228 WeakPolarHBondContact CA-OD2 3.46Å; Q224-D228 HydrophobicContact CB-CB 4.16Å; Q224-D228 HydrophobicContact CG-CB 4.34Å; Q224-M249 HydrophobicContact CB-CE 4.15Å; Q224-M249 HydrophobicContact CB-SD 4.37Å; Q224-M249 HydrophobicContact CG-CE 4.37Å; Q224-M249 HydrophobicContact CG-SD 4.19Å; Q224-R262 VanDerWaalsContact OE1-CD 3.25Å; Q224-L264 CarbonylContact O-C 3.52Å; Q224-L264 VanDerWaalsContact O-C 3.26Å; Q224-L265 WeakPolarHBondContact O-CA 3.47Å; Q224-L265 PolarHBondContact O-N 3.3Å
225H93.9Very high94.5Very high3 Ų332.1 Ų32.11%0.01420%0.199CC..  trans-127.6-170.6-173.268.687.1000112.1D133 D227 D228 Q229 L264 L265 R267 L272D133-H225 IonicContact OD1-CD2 3.46Å; D133-H225 IonicContact OD1-NE2 2.74Å; D133-H225 IonicContact OD2-CD2 3.57Å; D133-H225 IonicContact OD2-NE2 2.73Å; D133-H225 PolarHBondContact OD2-NE2 3.14Å; H225-D227 VanDerWaalsContact C-N 3.31Å; H225-D227 VanDerWaalsContact CE1-CB 3.43Å; H225-D227 WeakPolarHBondContact CE1-CB 3.3Å; H225-D227 IonicContact CE1-OD2 3.78Å; H225-D227 PolarHBondContact ND1-N 2.86Å; H225-D227 PolarHBondContact O-N 2.85Å; H225-D228 IonicContact CD2-OD2 3.58Å; H225-D228 PolarHBondContact CD2-OD2 3.45Å; H225-D228 VanDerWaalsContact CD2-OD2 3.28Å; H225-D228 IonicContact CG-OD2 3.49Å; H225-D228 PolarHBondContact N-OD2 3.4Å; H225-D228 IonicContact NE2-OD2 2.76Å; H225-D228 WeakPolarHBondContact O-CB 3.41Å; H225-D228 PolarHBondContact O-N 3.04Å; H225-Q229 PolarHBondContact O-N 2.92Å; H225-L264 VanDerWaalsContact CA-O 3.28Å; H225-L264 WeakPolarHBondContact CA-O 3.36Å; H225-L264 HydrophobicContact CB-CB 4.38Å; H225-L265 CarbonylContact C-O 3.48Å; H225-R267 WeakPolarHBondContact CB-O 3.28Å; H225-L272 HydrophobicContact CB-CD1 3.87Å
226L93.6Very high94.5Very high6 Ų627.5 Ų27.53%0.03118%0.175CC..Hα-helixtrans-60.1-36.6-171.7-175.967.1000114.1Q229 C230 L265 R267 T268 A315 E316 A319L226-Q229 WeakPolarHBondContact O-CB 3.14Å; L226-Q229 PolarHBondContact O-N 2.72Å; L226-C230 PolarHBondContact O-N 3.49Å; L226-L265 WeakPolarHBondContact CA-O 3.29Å; L226-L265 PolarHBondContact N-O 3.12Å; L226-R267 WeakPolarHBondContact CB-O 2.98Å; L226-R267 PolarHBondContact N-O 2.84Å; L226-T268 HydrophobicContact CD2-CG2 3.75Å; L226-A315 HydrophobicContact CD2-CB 4.05Å; L226-A315 HydrophobicContact CG-CB 4Å; L226-E316 HydrophobicContact CD2-CB 4.3Å; L226-E316 HydrophobicContact CD2-CG 3.42Å; L226-E316 VanDerWaalsContact CD2-CG 3.42Å; L226-A319 HydrophobicContact CD1-CB 3.36Å
227D90.4Very high94.8Very high29 Ų2925.7 Ų25.716%0.15516%0.157CC..Hα-helixtrans-70.6-38.1-179.1-56.22.1000110H225 Q229 C230 E231H225-D227 VanDerWaalsContact C-N 3.31Å; H225-D227 VanDerWaalsContact CE1-CB 3.43Å; H225-D227 WeakPolarHBondContact CE1-CB 3.3Å; H225-D227 IonicContact CE1-OD2 3.78Å; H225-D227 PolarHBondContact ND1-N 2.86Å; H225-D227 PolarHBondContact O-N 2.85Å; D227-Q229 PolarHBondContact O-N 3.28Å; D227-C230 WeakPolarHBondContact O-CB 3.35Å; D227-C230 PolarHBondContact O-N 3.37Å; D227-C230 VanDerWaalsContact O-N 3.1Å; D227-E231 VanDerWaalsContact O-CG 3.3Å; D227-E231 WeakPolarHBondContact O-CG 3.46Å; D227-E231 PolarHBondContact O-N 3.05Å
228D93.5Very high94.9Very high22 Ų2228.2 Ų28.212%0.11815%0.146CC..Hα-helixtrans-60.6-34.2172.6-60.1-64.9000111.7Q224 H225 T232 M249 R300Q224-D228 WeakPolarHBondContact CA-OD2 3.46Å; Q224-D228 HydrophobicContact CB-CB 4.16Å; Q224-D228 HydrophobicContact CG-CB 4.34Å; H225-D228 IonicContact CD2-OD2 3.58Å; H225-D228 PolarHBondContact CD2-OD2 3.45Å; H225-D228 VanDerWaalsContact CD2-OD2 3.28Å; H225-D228 IonicContact CG-OD2 3.49Å; H225-D228 PolarHBondContact N-OD2 3.4Å; H225-D228 IonicContact NE2-OD2 2.76Å; H225-D228 WeakPolarHBondContact O-CB 3.41Å; H225-D228 PolarHBondContact O-N 3.04Å; D228-T232 VanDerWaalsContact O-CB 3.27Å; D228-T232 WeakPolarHBondContact O-CB 3.49Å; D228-T232 PolarHBondContact O-N 3.25Å; D228-T232 PolarHBondContact O-OG1 2.92Å; D228-M249 HydrophobicContact CB-CE 3.65Å; D228-M249 WeakPolarHBondContact O-CE 3.16Å; D228-R300 IonicContact OD1-NH2 3.8Å; D228-R300 PolarHBondContact OD1-NH2 3.33Å
229Q96.6Very high94.6Very high11 Ų1133.7 Ų33.75%0.05117%0.165CC..Hα-helixtrans-68.2-42.5175.5-167.769.2-21.200111.2H225 L226 D227 T232 F233 A248 M249 L265 A319H225-Q229 PolarHBondContact O-N 2.92Å; L226-Q229 WeakPolarHBondContact O-CB 3.14Å; L226-Q229 PolarHBondContact O-N 2.72Å; D227-Q229 PolarHBondContact O-N 3.28Å; Q229-T232 PolarHBondContact O-N 3.31Å; Q229-F233 WeakPolarHBondContact O-CB 3.33Å; Q229-F233 PolarHBondContact O-N 3.09Å; Q229-A248 HydrophobicContact CG-CB 4.38Å; Q229-M249 HydrophobicContact CB-CE 4.46Å; Q229-M249 PolarHBondContact NE2-O 2.85Å; Q229-L265 HydrophobicContact CB-CD1 4.11Å; Q229-L265 HydrophobicContact CG-CD1 4.44Å; Q229-A319 HydrophobicContact CG-CB 4.19Å
230C96.6Very high94.2Very high0 Ų034.8 Ų34.80%019%0.185CC..Hα-helixtrans-62.7-46.9174.2-173.10000111.7L226 D227 T232 F233 L234 A315 T318L226-C230 PolarHBondContact O-N 3.49Å; D227-C230 WeakPolarHBondContact O-CB 3.35Å; D227-C230 PolarHBondContact O-N 3.37Å; D227-C230 VanDerWaalsContact O-N 3.1Å; C230-T232 PolarHBondContact O-N 3.48Å; C230-F233 WeakPolarHBondContact O-CB 3.16Å; C230-F233 PolarHBondContact O-N 2.98Å; C230-L234 WeakPolarHBondContact O-CG 3.4Å; C230-L234 PolarHBondContact O-N 3.21Å; C230-A315 HydrophobicContact CB-CB 4.01Å; C230-T318 HydrophobicContact CB-CG2 4.36Å
231E94.7Very high93.8Very high2 Ų235.8 Ų35.81%0.00919%0.193CC..Hα-helixtrans-58.6-47.2175.4-70.9164.3-156.700111.4D227 F233 L234 L235 R296 L299 R300D227-E231 VanDerWaalsContact O-CG 3.3Å; D227-E231 WeakPolarHBondContact O-CG 3.46Å; D227-E231 PolarHBondContact O-N 3.05Å; E231-F233 VanDerWaalsContact C-N 3.31Å; E231-F233 PolarHBondContact O-N 3.35Å; E231-L234 PolarHBondContact O-N 3.32Å; E231-L235 WeakPolarHBondContact O-CB 3.43Å; E231-L235 VanDerWaalsContact O-CG 3.26Å; E231-L235 WeakPolarHBondContact O-CG 3.47Å; E231-L235 PolarHBondContact O-N 2.95Å; E231-R296 HydrophobicContact CB-CG 4.4Å; E231-R296 HydrophobicContact CG-CG 4.48Å; E231-R296 VanDerWaalsContact OE2-CD 3.28Å; E231-R296 WeakPolarHBondContact OE2-CD 3.49Å; E231-R296 WeakPolarHBondContact OE2-CG 3.46Å; E231-R296 IonicContact OE2-NE 3.79Å; E231-L299 HydrophobicContact CG-CB 4.4Å; E231-R300 VanDerWaalsContact CD-NH2 3.35Å; E231-R300 IonicContact OE1-CZ 3.79Å; E231-R300 VanDerWaalsContact OE1-CZ 3.25Å; E231-R300 IonicContact OE1-NE 2.82Å; E231-R300 PolarHBondContact OE1-NE 3.27Å; E231-R300 IonicContact OE1-NH2 3.46Å; E231-R300 PolarHBondContact OE1-NH2 2.94Å; E231-R300 IonicContact OE2-CZ 2.63Å; E231-R300 IonicContact OE2-NE 3.92Å; E231-R300 IonicContact OE2-NH2 3.56Å; E231-R300 PolarHBondContact OE2-NH2 3.4Å
232T95.4Very high93.4Very high22 Ų2235.2 Ų35.214%0.13520%0.197CC..Hα-helixtrans-62.5-39.7179.2-61.50000111.5D228 Q229 C230 L235 A236 A248 M249D228-T232 VanDerWaalsContact O-CB 3.27Å; D228-T232 WeakPolarHBondContact O-CB 3.49Å; D228-T232 PolarHBondContact O-N 3.25Å; D228-T232 PolarHBondContact O-OG1 2.92Å; Q229-T232 PolarHBondContact O-N 3.31Å; C230-T232 PolarHBondContact O-N 3.48Å; T232-L235 PolarHBondContact O-N 3.16Å; T232-A236 WeakPolarHBondContact O-CB 3.23Å; T232-A236 PolarHBondContact O-N 3.29Å; T232-A248 HydrophobicContact CG2-CB 3.89Å; T232-M249 HydrophobicContact CG2-CG 4.17Å
233F97.6Very high93.3Very high26 Ų2637.7 Ų37.711%0.11421%0.212CC..Hα-helixtrans-62.8-48.1174.7-172.3-82.6000111.8Q229 C230 E231 L235 A236 L237 L246 A248 T318 A322Q229-F233 WeakPolarHBondContact O-CB 3.33Å; Q229-F233 PolarHBondContact O-N 3.09Å; C230-F233 WeakPolarHBondContact O-CB 3.16Å; C230-F233 PolarHBondContact O-N 2.98Å; E231-F233 VanDerWaalsContact C-N 3.31Å; E231-F233 PolarHBondContact O-N 3.35Å; F233-L235 VanDerWaalsContact C-N 3.34Å; F233-L235 PolarHBondContact O-N 2.95Å; F233-A236 WeakPolarHBondContact O-CB 3.37Å; F233-A236 PolarHBondContact O-N 3.43Å; F233-A236 VanDerWaalsContact O-N 3.11Å; F233-L237 HydrophobicContact CE1-CD1 4.3Å; F233-L237 WeakPolarHBondContact O-CB 3.49Å; F233-L237 PolarHBondContact O-N 3.01Å; F233-L246 HydrophobicContact CD1-CD2 4.46Å; F233-L246 HydrophobicContact CD2-CB 4.36Å; F233-L246 HydrophobicContact CD2-CD2 4.36Å; F233-L246 WeakPolarHBondContact CD2-O 3.47Å; F233-L246 HydrophobicContact CE1-CD2 4.14Å; F233-L246 HydrophobicContact CE2-CB 3.85Å; F233-L246 HydrophobicContact CE2-CD2 4.04Å; F233-L246 HydrophobicContact CE2-CG 4.44Å; F233-L246 WeakPolarHBondContact CE2-O 3.26Å; F233-L246 HydrophobicContact CZ-CB 4.37Å; F233-L246 HydrophobicContact CZ-CD2 3.92Å; F233-A248 HydrophobicContact CB-CB 4.49Å; F233-T318 HydrophobicContact CB-CG2 3.43Å; F233-T318 VanDerWaalsContact CB-CG2 3.43Å; F233-T318 HydrophobicContact CD1-CG2 3.51Å; F233-T318 HydrophobicContact CD2-CG2 3.97Å; F233-T318 HydrophobicContact CE1-CG2 4.23Å; F233-T318 HydrophobicContact CG-CG2 3.36Å; F233-A322 HydrophobicContact CD2-CB 3.99Å; F233-A322 HydrophobicContact CE2-CB 4.43Å
234L97.2Very high93.1Very high23 Ų2338.1 Ų38.112%0.1222%0.216CC..Hα-helixtrans-64.5-37.6178.7-69.1173.8000112C230 E231 A236 L237 K238 L299 V304 F314C230-L234 WeakPolarHBondContact O-CG 3.4Å; C230-L234 PolarHBondContact O-N 3.21Å; E231-L234 PolarHBondContact O-N 3.32Å; L234-A236 VanDerWaalsContact C-N 3.33Å; L234-L237 WeakPolarHBondContact O-CB 3.18Å; L234-L237 PolarHBondContact O-N 3.41Å; L234-K238 PolarHBondContact O-N 2.91Å; L234-L299 HydrophobicContact CB-CD1 3.87Å; L234-L299 HydrophobicContact CB-CD2 4.12Å; L234-L299 HydrophobicContact CD1-CD2 4.07Å; L234-V304 HydrophobicContact CD1-CG2 3.99Å; L234-F314 HydrophobicContact CD1-CE1 4.43Å
235L94.2Very high93Very high20 Ų2038.1 Ų38.111%0.10522%0.223CC..Hα-helixtrans-66.5-32.4172-69.8173.6000112.7E231 T232 F233 K238 R239 D295 R296 L299E231-L235 WeakPolarHBondContact O-CB 3.43Å; E231-L235 VanDerWaalsContact O-CG 3.26Å; E231-L235 WeakPolarHBondContact O-CG 3.47Å; E231-L235 PolarHBondContact O-N 2.95Å; T232-L235 PolarHBondContact O-N 3.16Å; F233-L235 VanDerWaalsContact C-N 3.34Å; F233-L235 PolarHBondContact O-N 2.95Å; L235-K238 WeakPolarHBondContact O-CG 3.11Å; L235-R239 VanDerWaalsContact O-CG 3.31Å; L235-R239 WeakPolarHBondContact O-CG 3.4Å; L235-R239 PolarHBondContact O-NE 2.55Å; L235-D295 HydrophobicContact CD2-CB 3.83Å; L235-R296 HydrophobicContact CD1-CB 4.4Å; L235-L299 HydrophobicContact CD2-CD1 3.68Å; L235-L299 HydrophobicContact CG-CD1 3.64Å
236A93.5Very high93.1Very high0 Ų039.2 Ų39.20%023%0.229CC..Hα-helixtrans-71.5-41.5172.600000111.1T232 F233 L234 R239 G240 S241 G245 L246T232-A236 WeakPolarHBondContact O-CB 3.23Å; T232-A236 PolarHBondContact O-N 3.29Å; F233-A236 WeakPolarHBondContact O-CB 3.37Å; F233-A236 PolarHBondContact O-N 3.43Å; F233-A236 VanDerWaalsContact O-N 3.11Å; L234-A236 VanDerWaalsContact C-N 3.33Å; A236-R239 PolarHBondContact O-N 3Å; A236-G240 PolarHBondContact O-N 3.14Å; A236-S241 WeakPolarHBondContact O-CB 3.42Å; A236-S241 PolarHBondContact O-N 2.82Å; A236-S241 PolarHBondContact O-OG 3.28Å; A236-G245 VanDerWaalsContact CB-O 3.24Å; A236-G245 WeakPolarHBondContact CB-O 3.46Å; A236-L246 HydrophobicContact CB-CD2 4.11Å
237L95.6Very high93.2Very high97 Ų9740 Ų4051%0.50823%0.234SC..Hα-helixtrans-59.9-50.2176.7-168.393.9000111.4F233 L234 R239 G240 L246F233-L237 HydrophobicContact CE1-CD1 4.3Å; F233-L237 WeakPolarHBondContact O-CB 3.49Å; F233-L237 PolarHBondContact O-N 3.01Å; L234-L237 WeakPolarHBondContact O-CB 3.18Å; L234-L237 PolarHBondContact O-N 3.41Å; L237-R239 PolarHBondContact O-N 3.26Å; L237-G240 PolarHBondContact O-N 3.02Å; L237-L246 HydrophobicContact CB-CD2 4.23Å; L237-L246 HydrophobicContact CD1-CD2 4.2Å
238K92.9Very high93.4Very high129 Ų12940 Ų4056%0.56124%0.238SC*.Hα-helixtrans-62.3-25.6179.381.292.3173.8-148.10113.3L234 L235 G240 D295L234-K238 PolarHBondContact O-N 2.91Å; L235-K238 WeakPolarHBondContact O-CG 3.11Å; K238-G240 VanDerWaalsContact C-N 3.28Å; K238-D295 IonicContact NZ-OD2 3.76Å; K238-D295 PolarHBondContact NZ-OD2 3.46Å
239R87.2Confident93.6Very high163 Ų16340.1 Ų40.162%0.61524%0.239SC*.THydrogen-bonded Turntrans-81.6-3.8175.3-73.3-176.9-70.4150.6-1.9113.2L235 A236 L237 S241L235-R239 VanDerWaalsContact O-CG 3.31Å; L235-R239 WeakPolarHBondContact O-CG 3.4Å; L235-R239 PolarHBondContact O-NE 2.55Å; A236-R239 PolarHBondContact O-N 3Å; L237-R239 PolarHBondContact O-N 3.26Å; R239-S241 VanDerWaalsContact C-N 3.35Å
240G86.6Confident93.5Very high66 Ų6642.2 Ų42.268%0.6826%0.258SS*.THydrogen-bonded Turntrans69.831.9-175.400000112.9A236 L237 K238A236-G240 PolarHBondContact O-N 3.14Å; L237-G240 PolarHBondContact O-N 3.02Å; K238-G240 VanDerWaalsContact C-N 3.28Å
241S88.5Confident93.5Very high35 Ų3548 Ų4825%0.24529%0.285CS..  trans-72.2144-179.5-50.10000111.3A236 R239A236-S241 WeakPolarHBondContact O-CB 3.42Å; A236-S241 PolarHBondContact O-N 2.82Å; A236-S241 PolarHBondContact O-OG 3.28Å; R239-S241 VanDerWaalsContact C-N 3.35Å
242G89.4Confident93.6Very high34 Ų3451.3 Ų51.335%0.35131%0.305SS..  trans-81.8-170.3171.500000113A244 G245 L246G242-A244 PolarHBondContact O-N 3.32Å; G242-G245 PolarHBondContact O-N 3.38Å; G242-L246 WeakPolarHBondContact O-CG 3.5Å; G242-L246 PolarHBondContact O-N 3.18Å
243P93.1Very high93.5Very high63 Ų6352 Ų5241%0.40931%0.311SS..Hα-helixtrans-49.4-48.2-176.4-28.935.4000114G245 L246 S247 C325 E329P243-G245 VanDerWaalsContact C-N 3.27Å; P243-G245 PolarHBondContact O-N 2.95Å; P243-G245 VanDerWaalsContact O-N 3.14Å; P243-L246 CarbonylContact O-C 3.55Å; P243-L246 WeakPolarHBondContact O-CA 3.28Å; P243-L246 PolarHBondContact O-N 3.47Å; P243-S247 PolarHBondContact O-N 3Å; P243-S247 PolarHBondContact O-OG 3.2Å; P243-C325 HydrophobicContact CB-CB 4.27Å; P243-E329 HydrophobicContact CB-CG 4.31Å
244A90.7Very high93.2Very high24 Ų2458.5 Ų58.520%0.19834%0.341CS..Hα-helixtrans-50-38173.300000115.8G242 E329G242-A244 PolarHBondContact O-N 3.32Å; A244-E329 HydrophobicContact CB-CG 4.13Å; A244-E329 PolarHBondContact N-OE1 3.29Å
245G91.5Very high93Very high25 Ų2558.9 Ų58.926%0.25834%0.342SS..Hα-helixtrans-85.3-29176.500000113.1A236 G242 P243 S247 A248A236-G245 VanDerWaalsContact CB-O 3.24Å; A236-G245 WeakPolarHBondContact CB-O 3.46Å; G242-G245 PolarHBondContact O-N 3.38Å; P243-G245 VanDerWaalsContact C-N 3.27Å; P243-G245 PolarHBondContact O-N 2.95Å; P243-G245 VanDerWaalsContact O-N 3.14Å; G245-S247 VanDerWaalsContact C-N 3.26Å; G245-S247 PolarHBondContact O-N 3.21Å; G245-A248 PolarHBondContact O-N 3.03Å
246L96.1Very high92.7Very high26 Ų2661.1 Ų61.114%0.13636%0.363CS..Hα-helixtrans-75.7-12.8175.6-65.9174.6000112.9F233 A236 L237 G242 P243 A248 A322 C325F233-L246 HydrophobicContact CD1-CD2 4.46Å; F233-L246 HydrophobicContact CD2-CB 4.36Å; F233-L246 HydrophobicContact CD2-CD2 4.36Å; F233-L246 WeakPolarHBondContact CD2-O 3.47Å; F233-L246 HydrophobicContact CE1-CD2 4.14Å; F233-L246 HydrophobicContact CE2-CB 3.85Å; F233-L246 HydrophobicContact CE2-CD2 4.04Å; F233-L246 HydrophobicContact CE2-CG 4.44Å; F233-L246 WeakPolarHBondContact CE2-O 3.26Å; F233-L246 HydrophobicContact CZ-CB 4.37Å; F233-L246 HydrophobicContact CZ-CD2 3.92Å; A236-L246 HydrophobicContact CB-CD2 4.11Å; L237-L246 HydrophobicContact CB-CD2 4.23Å; L237-L246 HydrophobicContact CD1-CD2 4.2Å; G242-L246 WeakPolarHBondContact O-CG 3.5Å; G242-L246 PolarHBondContact O-N 3.18Å; P243-L246 CarbonylContact O-C 3.55Å; P243-L246 WeakPolarHBondContact O-CA 3.28Å; P243-L246 PolarHBondContact O-N 3.47Å; L246-A248 PolarHBondContact O-N 2.66Å; L246-A248 VanDerWaalsContact O-N 3.1Å; L246-A322 WeakPolarHBondContact O-CA 3.36Å; L246-A322 WeakPolarHBondContact O-CB 3.34Å; L246-C325 HydrophobicContact CB-CB 4.38Å
247S96.2Very high92.5Very high22 Ų2265.5 Ų65.515%0.15441%0.408CS..THydrogen-bonded Turntrans-60.1-11.7166-57.10000113.6P243 G245 M249 A326P243-S247 PolarHBondContact O-N 3Å; P243-S247 PolarHBondContact O-OG 3.2Å; G245-S247 VanDerWaalsContact C-N 3.26Å; G245-S247 PolarHBondContact O-N 3.21Å; S247-M249 PolarHBondContact O-N 2.85Å; S247-A326 WeakPolarHBondContact OG-CA 3.28Å; S247-A326 PolarHBondContact OG-N 3.5Å
248A95.2Very high92.4Very high29 Ų2962.2 Ų62.224%0.2439%0.393CS..  trans53.7-126.3176.100000112.4Q229 T232 F233 G245 L246 A322Q229-A248 HydrophobicContact CG-CB 4.38Å; T232-A248 HydrophobicContact CG2-CB 3.89Å; F233-A248 HydrophobicContact CB-CB 4.49Å; G245-A248 PolarHBondContact O-N 3.03Å; L246-A248 PolarHBondContact O-N 2.66Å; L246-A248 VanDerWaalsContact O-N 3.1Å; A248-A322 HydrophobicContact CB-CB 4.17Å
249M96.1Very high92.5Very high26 Ų2662.7 Ų62.713%0.12839%0.391CS..  trans-96.5142.5177.2-55.8-179.2-82.100111.4Q224 D228 Q229 T232 S247 L265Q224-M249 HydrophobicContact CB-CE 4.15Å; Q224-M249 HydrophobicContact CB-SD 4.37Å; Q224-M249 HydrophobicContact CG-CE 4.37Å; Q224-M249 HydrophobicContact CG-SD 4.19Å; D228-M249 HydrophobicContact CB-CE 3.65Å; D228-M249 WeakPolarHBondContact O-CE 3.16Å; Q229-M249 HydrophobicContact CB-CE 4.46Å; Q229-M249 PolarHBondContact NE2-O 2.85Å; T232-M249 HydrophobicContact CG2-CG 4.17Å; S247-M249 PolarHBondContact O-N 2.85Å; M249-L265 HydrophobicContact CB-CD1 4.24Å; M249-L265 HydrophobicContact CB-CD2 4.34Å; M249-L265 HydrophobicContact CE-CD1 3.76Å
250A95.2Very high92.9Very high54 Ų5455 Ų5545%0.44636%0.362SS..  trans-87152.1167.400000111V252 R262A250-V252 VanDerWaalsContact C-N 3.28Å; A250-V252 WeakPolarHBondContact CB-O 3.29Å; A250-V252 PolarHBondContact O-N 3.21Å; A250-R262 PolarHBondContact O-NH1 3.15Å
251E96.5Very high93.4Very high121 Ų12153.7 Ų53.757%0.56534%0.339SS*.SBendtrans-62.4-38.6172.9-176.1176-153.700111.3I261 R262E251-I261 CarbonylContact O-C 3.48Å; E251-I261 VanDerWaalsContact O-CA 3.29Å; E251-I261 WeakPolarHBondContact O-CA 3.34Å; E251-R262 PolarHBondContact O-N 3.39Å
252V96.6Very high93.9Very high72 Ų7252.9 Ų52.944%0.43633%0.331SS..EExtended strand (participates in β ladder)trans-125.9129.1175.6-175.20000109.3A250 R259 L260 I261A250-V252 VanDerWaalsContact C-N 3.28Å; A250-V252 WeakPolarHBondContact CB-O 3.29Å; A250-V252 PolarHBondContact O-N 3.21Å; V252-R259 HydrophobicContact CG1-CB 4.28Å; V252-R259 HydrophobicContact CG1-CG 4.25Å; V252-L260 WeakPolarHBondContact CA-O 3.47Å; V252-I261 HydrophobicContact CG2-CG1 4.34Å
253S93.7Very high94.2Very high36 Ų3653.8 Ų53.825%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-138.7154.6176.152.30000110.8R259 L260 R262S253-R259 CarbonylContact O-C 3.48Å; S253-R259 WeakPolarHBondContact O-CA 3.14Å; S253-L260 PolarHBondContact N-O 2.67Å; S253-L260 PolarHBondContact O-N 2.59Å; S253-L260 PolarHBondContact OG-O 2.66Å; S253-R262 PolarHBondContact OG-NH1 3.03Å
254E92.3Very high94.4Very high163 Ų16350.9 Ų50.976%0.76231%0.311SS*.EExtended strand (participates in β ladder)trans-70.5142.1171.4-65.7-169.5170.800111.6T258E254-T258 CarbonylContact C-O 3.58Å; E254-T258 WeakPolarHBondContact CA-O 3.48Å
255F91.3Very high94.6Very high32 Ų3250.7 Ų50.714%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-156.3123.6179-179.8-102.4000110.8Y207 F210 A211 L214 L220 G257 T258 L260Y207-F255 HydrophobicContact CD1-CD2 4.14Å; Y207-F255 AromaticContact CD1-CE2 3.43Å; Y207-F255 HydrophobicContact CD1-CE2 3.43Å; Y207-F255 VanDerWaalsContact CD1-CE2 3.43Å; Y207-F255 AromaticContact CD1-CZ 3.81Å; Y207-F255 HydrophobicContact CD1-CZ 3.81Å; Y207-F255 HydrophobicContact CE1-CE2 4.26Å; Y207-F255 HydrophobicContact CG-CE2 4.24Å; Y207-F255 WeakPolarHBondContact O-CZ 3.11Å; F210-F255 HydrophobicContact CB-CE1 4.02Å; F210-F255 HydrophobicContact CB-CZ 4.07Å; A211-F255 HydrophobicContact CB-CE1 4.34Å; A211-F255 HydrophobicContact CB-CZ 4.06Å; L214-F255 HydrophobicContact CD2-CD1 4.27Å; L214-F255 HydrophobicContact CD2-CE1 4.38Å; L220-F255 HydrophobicContact CB-CD1 4.35Å; L220-F255 HydrophobicContact CD2-CD1 3.62Å; L220-F255 HydrophobicContact CD2-CE1 3.49Å; L220-F255 VanDerWaalsContact CD2-CE1 3.49Å; L220-F255 HydrophobicContact CD2-CG 4.39Å; L220-F255 HydrophobicContact CD2-CZ 4.19Å; F255-G257 VanDerWaalsContact C-N 3.26Å; F255-G257 PolarHBondContact O-N 3.06Å; F255-G257 VanDerWaalsContact O-N 3.12Å; F255-T258 PolarHBondContact N-O 2.68Å; F255-T258 CarbonylContact O-C 3.56Å; F255-T258 VanDerWaalsContact O-CG2 3.26Å; F255-T258 WeakPolarHBondContact O-CG2 3.25Å; F255-T258 PolarHBondContact O-N 3.21Å; F255-T258 VanDerWaalsContact O-O 3.1Å; F255-L260 HydrophobicContact CB-CB 3.64Å; F255-L260 HydrophobicContact CG-CB 4.29Å
256A89.5Confident94.8Very high66 Ų6653.3 Ų53.355%0.54533%0.326SS..THydrogen-bonded Turntrans48.440.5173.900000114.9A211 L214 T258A211-A256 HydrophobicContact CB-CB 3.78Å; L214-A256 HydrophobicContact CD2-CB 4.46Å; A256-T258 VanDerWaalsContact C-N 3.31Å; A256-T258 PolarHBondContact O-N 2.83Å
257G89Confident94.7Very high92 Ų9258.1 Ų58.195%0.94834%0.343SS*.THydrogen-bonded Turntrans80.15.3-178.900000115.3F255F255-G257 VanDerWaalsContact C-N 3.26Å; F255-G257 PolarHBondContact O-N 3.06Å; F255-G257 VanDerWaalsContact O-N 3.12Å
258T93Very high94.4Very high29 Ų2958.8 Ų58.818%0.17835%0.346CS..EExtended strand (participates in β ladder)trans-137.2-161.5175.6-173.20000110.7L214 E218 E254 F255 A256L214-T258 HydrophobicContact CD2-CG2 3.25Å; L214-T258 HydrophobicContact CG-CG2 4.17Å; E218-T258 WeakPolarHBondContact O-CB 3.43Å; E218-T258 VanDerWaalsContact O-CG2 3.26Å; E218-T258 WeakPolarHBondContact O-CG2 3.3Å; E218-T258 PolarHBondContact O-OG1 2.87Å; E254-T258 CarbonylContact C-O 3.58Å; E254-T258 WeakPolarHBondContact CA-O 3.48Å; F255-T258 PolarHBondContact N-O 2.68Å; F255-T258 CarbonylContact O-C 3.56Å; F255-T258 VanDerWaalsContact O-CG2 3.26Å; F255-T258 WeakPolarHBondContact O-CG2 3.25Å; F255-T258 PolarHBondContact O-N 3.21Å; F255-T258 VanDerWaalsContact O-O 3.1Å; A256-T258 VanDerWaalsContact C-N 3.31Å; A256-T258 PolarHBondContact O-N 2.83Å
259R95Very high93.8Very high138 Ų13861 Ų6152%0.52135%0.348SS..EExtended strand (participates in β ladder)trans-102.4144.4179.4-62.8180-65.8169.51.3111.7V219 L220 V252 S253 I261V219-R259 HydrophobicContact CG1-CB 4.26Å; V219-R259 WeakPolarHBondContact CG1-O 3.47Å; L220-R259 PolarHBondContact N-O 3.35Å; V252-R259 HydrophobicContact CG1-CB 4.28Å; V252-R259 HydrophobicContact CG1-CG 4.25Å; S253-R259 CarbonylContact O-C 3.48Å; S253-R259 WeakPolarHBondContact O-CA 3.14Å; R259-I261 HydrophobicContact CB-CG1 4.43Å
260L96Very high93.1Very high3 Ų362.2 Ų62.22%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-110.3117.3165.416757.3000108.7Y207 L220 T222 V252 S253 F255Y207-L260 HydrophobicContact CE1-CD2 3.94Å; L220-L260 HydrophobicContact CB-CD1 4.23Å; L220-L260 HydrophobicContact CD2-CD1 3.86Å; L220-L260 HydrophobicContact CG-CD1 3.81Å; L220-L260 CarbonylContact O-C 3.58Å; L220-L260 VanDerWaalsContact O-CA 3.28Å; L220-L260 WeakPolarHBondContact O-CA 3.18Å; T222-L260 HydrophobicContact CG2-CD1 3.72Å; T222-L260 WeakPolarHBondContact OG1-CD1 3.22Å; V252-L260 WeakPolarHBondContact CA-O 3.47Å; S253-L260 PolarHBondContact N-O 2.67Å; S253-L260 PolarHBondContact O-N 2.59Å; S253-L260 PolarHBondContact OG-O 2.66Å; F255-L260 HydrophobicContact CB-CB 3.64Å; F255-L260 HydrophobicContact CG-CB 4.29Å
261I97.8Very high92.6Very high38 Ų3863 Ų6320%0.19536%0.361CS..EExtended strand (participates in β ladder)trans-111.2140.2-176.1-53.8-174.1000110.8V219 L220 V221 T222 E251 V252 R259 P263V219-I261 HydrophobicContact CG1-CB 4.45Å; V219-I261 HydrophobicContact CG1-CD1 3.54Å; V219-I261 HydrophobicContact CG1-CG1 3.64Å; L220-I261 PolarHBondContact O-N 3.38Å; V221-I261 WeakPolarHBondContact CA-O 3.18Å; T222-I261 PolarHBondContact N-O 3.38Å; E251-I261 CarbonylContact O-C 3.48Å; E251-I261 VanDerWaalsContact O-CA 3.29Å; E251-I261 WeakPolarHBondContact O-CA 3.34Å; V252-I261 HydrophobicContact CG2-CG1 4.34Å; R259-I261 HydrophobicContact CB-CG1 4.43Å; I261-P263 HydrophobicContact CG2-CG 4.04Å
262R97.7Very high92.2Very high18 Ų1857.3 Ų57.37%0.06834%0.335CS..  trans-124.776.5179.6-58.1178.5-176.777.92.4111.4Q224 A250 E251 S253 L264 L265Q224-R262 VanDerWaalsContact OE1-CD 3.25Å; A250-R262 PolarHBondContact O-NH1 3.15Å; E251-R262 PolarHBondContact O-N 3.39Å; S253-R262 PolarHBondContact OG-NH1 3.03Å; R262-L264 PolarHBondContact O-N 3.21Å; R262-L265 HydrophobicContact CB-CB 4.07Å; R262-L265 HydrophobicContact CB-CD2 4.48Å; R262-L265 VanDerWaalsContact O-CB 3.25Å; R262-L265 WeakPolarHBondContact O-CB 3.27Å; R262-L265 PolarHBondContact O-N 3.43Å
263P96.5Very high91.4Very high52 Ų5255 Ų5534%0.33832%0.323SS..THydrogen-bonded Turntrans-64.5-27.6-172.1-20.932.9000113.8L137 V221 I261 L265L137-P263 HydrophobicContact CD1-CG 4.23Å; V221-P263 VanDerWaalsContact CG1-CD 3.44Å; V221-P263 HydrophobicContact CG1-CG 3.6Å; I261-P263 HydrophobicContact CG2-CG 4.04Å; P263-L265 VanDerWaalsContact C-N 3.32Å
264L96.2Very high90.8Very high3 Ų359.7 Ų59.72%0.01634%0.341CS..THydrogen-bonded Turntrans-87.71.8-176.4-55.9-177.9000113L137 A223 Q224 H225 R262 A266 R267 L272L137-L264 HydrophobicContact CB-CD1 3.83Å; L137-L264 HydrophobicContact CD1-CD1 4.38Å; L137-L264 HydrophobicContact CD1-CG 4.32Å; A223-L264 HydrophobicContact CB-CD1 4.24Å; Q224-L264 CarbonylContact O-C 3.52Å; Q224-L264 VanDerWaalsContact O-C 3.26Å; H225-L264 VanDerWaalsContact CA-O 3.28Å; H225-L264 WeakPolarHBondContact CA-O 3.36Å; H225-L264 HydrophobicContact CB-CB 4.38Å; R262-L264 PolarHBondContact O-N 3.21Å; L264-A266 PolarHBondContact O-N 2.81Å; L264-R267 HydrophobicContact CD2-CG 4.41Å; L264-R267 WeakPolarHBondContact O-CB 3.48Å; L264-R267 PolarHBondContact O-N 2.81Å; L264-L272 HydrophobicContact CB-CD2 4.5Å; L264-L272 HydrophobicContact CD1-CD1 4.48Å; L264-L272 HydrophobicContact CD1-CD2 3.79Å; L264-L272 HydrophobicContact CD2-CD2 4.03Å; L264-L272 HydrophobicContact CG-CD2 4.32Å
265L96.2Very high90.6Very high19 Ų1956 Ų5610%0.09932%0.32CS..THydrogen-bonded Turntrans-59-28.3-169.1-169.664.4000114.1Q224 H225 L226 Q229 M249 R262 P263Q224-L265 WeakPolarHBondContact O-CA 3.47Å; Q224-L265 PolarHBondContact O-N 3.3Å; H225-L265 CarbonylContact C-O 3.48Å; L226-L265 WeakPolarHBondContact CA-O 3.29Å; L226-L265 PolarHBondContact N-O 3.12Å; Q229-L265 HydrophobicContact CB-CD1 4.11Å; Q229-L265 HydrophobicContact CG-CD1 4.44Å; M249-L265 HydrophobicContact CB-CD1 4.24Å; M249-L265 HydrophobicContact CB-CD2 4.34Å; M249-L265 HydrophobicContact CE-CD1 3.76Å; R262-L265 HydrophobicContact CB-CB 4.07Å; R262-L265 HydrophobicContact CB-CD2 4.48Å; R262-L265 VanDerWaalsContact O-CB 3.25Å; R262-L265 WeakPolarHBondContact O-CB 3.27Å; R262-L265 PolarHBondContact O-N 3.43Å; P263-L265 VanDerWaalsContact C-N 3.32Å
266A94.7Very high90.3Very high81 Ų8154.5 Ų54.567%0.66931%0.314SS*.THydrogen-bonded Turntrans-94.6-0.7177.100000114L264L264-A266 PolarHBondContact O-N 2.81Å
267R94Very high89.7Confident127 Ų12754 Ų5448%0.47930%0.302SS..  trans-94.9136.5-176.1-56.7-57.8179.3168.1-3.2111.4H225 L226 L264 E271 L272H225-R267 WeakPolarHBondContact CB-O 3.28Å; L226-R267 WeakPolarHBondContact CB-O 2.98Å; L226-R267 PolarHBondContact N-O 2.84Å; L264-R267 HydrophobicContact CD2-CG 4.41Å; L264-R267 WeakPolarHBondContact O-CB 3.48Å; L264-R267 PolarHBondContact O-N 2.81Å; R267-E271 WeakPolarHBondContact CA-OE2 3.25Å; R267-E271 IonicContact NH1-OE1 3.38Å; R267-E271 PolarHBondContact NH1-OE1 3.1Å; R267-L272 HydrophobicContact CB-CD2 4.31Å
268T89.1Confident89.5Confident35 Ų3553.5 Ų53.522%0.21529%0.288CS..  trans-73.1153.1174.863.80000110.6L226 G270 E271 L272L226-T268 HydrophobicContact CD2-CG2 3.75Å; T268-G270 PolarHBondContact O-N 2.91Å; T268-E271 PolarHBondContact N-OE2 2.98Å; T268-E271 PolarHBondContact O-N 3.32Å; T268-E271 VanDerWaalsContact O-N 3.16Å; T268-E271 VanDerWaalsContact OG1-CG 3.3Å; T268-E271 WeakPolarHBondContact OG1-CG 3.35Å; T268-E271 PolarHBondContact OG1-N 2.87Å; T268-E271 VanDerWaalsContact OG1-N 3.09Å; T268-E271 PolarHBondContact OG1-OE2 3.06Å; T268-L272 PolarHBondContact O-N 3.39Å
269R84.2Confident89.2Confident77 Ų7756.1 Ų56.129%0.29130%0.298SS..Hα-helixtrans-59.8-29.4172.5-165.3175-175.7-84.50.9112.4L132 L272 A273L132-R269 HydrophobicContact CD2-CG 4.15Å; R269-L272 PolarHBondContact O-N 3.36Å; R269-A273 WeakPolarHBondContact O-CB 3.02Å; R269-A273 PolarHBondContact O-N 2.92Å
270G80.2Confident88.7Confident51 Ų5152.4 Ų52.453%0.52630%0.303SS..Hα-helixtrans-64.3-44.617400000113.3T268 L272 A273 Q274T268-G270 PolarHBondContact O-N 2.91Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 2.88Å; G270-A273 PolarHBondContact O-N 3.36Å; G270-Q274 PolarHBondContact O-N 3.36Å
271E85.8Confident88.2Confident69 Ų6953.1 Ų53.132%0.32231%0.307SS..Hα-helixtrans-61.5-40.6174.2-76.4167.3106.800111.7R267 T268 A273 Q274 W275R267-E271 WeakPolarHBondContact CA-OE2 3.25Å; R267-E271 IonicContact NH1-OE1 3.38Å; R267-E271 PolarHBondContact NH1-OE1 3.1Å; T268-E271 PolarHBondContact N-OE2 2.98Å; T268-E271 PolarHBondContact O-N 3.32Å; T268-E271 VanDerWaalsContact O-N 3.16Å; T268-E271 VanDerWaalsContact OG1-CG 3.3Å; T268-E271 WeakPolarHBondContact OG1-CG 3.35Å; T268-E271 PolarHBondContact OG1-N 2.87Å; T268-E271 VanDerWaalsContact OG1-N 3.09Å; T268-E271 PolarHBondContact OG1-OE2 3.06Å; E271-A273 VanDerWaalsContact C-N 3.34Å; E271-Q274 PolarHBondContact O-N 2.83Å; E271-W275 PolarHBondContact O-N 2.89Å
272L88.6Confident87.2Confident3 Ų359.3 Ų59.32%0.01633%0.328CS..Hα-helixtrans-62.6-43176.2-60.2-179.2000111.1L132 D133 V136 H225 L264 R267 T268 R269 G270 W275 A276L132-L272 HydrophobicContact CD2-CB 3.83Å; L132-L272 HydrophobicContact CG-CB 4.01Å; D133-L272 HydrophobicContact CB-CD1 4.15Å; V136-L272 HydrophobicContact CB-CD2 4.37Å; V136-L272 HydrophobicContact CG1-CD2 3.71Å; V136-L272 HydrophobicContact CG2-CB 4.32Å; V136-L272 WeakPolarHBondContact CG2-O 3.28Å; H225-L272 HydrophobicContact CB-CD1 3.87Å; L264-L272 HydrophobicContact CB-CD2 4.5Å; L264-L272 HydrophobicContact CD1-CD1 4.48Å; L264-L272 HydrophobicContact CD1-CD2 3.79Å; L264-L272 HydrophobicContact CD2-CD2 4.03Å; L264-L272 HydrophobicContact CG-CD2 4.32Å; R267-L272 HydrophobicContact CB-CD2 4.31Å; T268-L272 PolarHBondContact O-N 3.39Å; R269-L272 PolarHBondContact O-N 3.36Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 2.88Å; L272-W275 WeakPolarHBondContact O-CB 3.38Å; L272-W275 PolarHBondContact O-N 3.23Å; L272-A276 PolarHBondContact O-N 3.06Å
273A79.4Confident86.2Confident22 Ų2260.7 Ų60.718%0.18233%0.333CS..Hα-helixtrans-64.4-45.5-179.700000110.6L132 R269 G270 E271 W275 A276 L277L132-A273 HydrophobicContact CD2-CB 3.75Å; R269-A273 WeakPolarHBondContact O-CB 3.02Å; R269-A273 PolarHBondContact O-N 2.92Å; G270-A273 PolarHBondContact O-N 3.36Å; E271-A273 VanDerWaalsContact C-N 3.34Å; A273-W275 VanDerWaalsContact C-N 3.28Å; A273-W275 PolarHBondContact O-N 3.17Å; A273-A276 PolarHBondContact O-N 3.28Å; A273-L277 WeakPolarHBondContact O-CB 3.48Å; A273-L277 VanDerWaalsContact O-CG 3.25Å; A273-L277 WeakPolarHBondContact O-CG 3.39Å; A273-L277 PolarHBondContact O-N 3.16Å
274Q80.9Confident85Confident136 Ų13660.3 Ų60.364%0.63633%0.327SS*.Hα-helixtrans-58.1-42175.4-174-179.65.900111.7G270 E271 A278G270-Q274 PolarHBondContact O-N 3.36Å; E271-Q274 PolarHBondContact O-N 2.83Å; Q274-A278 VanDerWaalsContact O-CB 3.25Å; Q274-A278 WeakPolarHBondContact O-CB 3.34Å; Q274-A278 PolarHBondContact O-N 3.39Å
275W88.6Confident83.4Confident86 Ų8661.7 Ų61.733%0.32633%0.334SS..Hα-helixtrans-62.2-48176.8-178.2-78000112.2V136 H139 Q140 E271 L272 A273 L277 A278 H279V136-W275 HydrophobicContact CG1-CB 4.23Å; V136-W275 HydrophobicContact CG1-CG 3.97Å; H139-W275 AromaticContact CE1-NE1 3.99Å; H139-W275 AromaticContact ND1-CE2 3.97Å; H139-W275 AromaticContact ND1-NE1 3.28Å; H139-W275 PolarHBondContact ND1-NE1 2.75Å; Q140-W275 HydrophobicContact CG-CD2 4.33Å; Q140-W275 HydrophobicContact CG-CH2 4.14Å; Q140-W275 HydrophobicContact CG-CZ2 3.55Å; E271-W275 PolarHBondContact O-N 2.89Å; L272-W275 WeakPolarHBondContact O-CB 3.38Å; L272-W275 PolarHBondContact O-N 3.23Å; A273-W275 VanDerWaalsContact C-N 3.28Å; A273-W275 PolarHBondContact O-N 3.17Å; W275-L277 PolarHBondContact O-N 3.22Å; W275-A278 PolarHBondContact O-N 3.47Å; W275-H279 AromaticContact CD1-ND1 3.83Å; W275-H279 AromaticContact CD2-CE1 3.79Å; W275-H279 AromaticContact CD2-ND1 3.95Å; W275-H279 AromaticContact CE2-CE1 3.44Å; W275-H279 VanDerWaalsContact CE2-CE1 3.44Å; W275-H279 AromaticContact CE2-ND1 3.64Å; W275-H279 AromaticContact CH2-CE1 3.94Å; W275-H279 AromaticContact CZ2-CE1 3.52Å; W275-H279 AromaticContact CZ2-NE2 3.94Å; W275-H279 AromaticContact NE1-CE1 3.82Å; W275-H279 AromaticContact NE1-ND1 3.54Å; W275-H279 PolarHBondContact O-N 2.98Å; W275-H279 PolarHBondContact O-ND1 2.83Å
276A84Confident82.1Confident0 Ų063.2 Ų63.20%034%0.342CS..Hα-helixtrans-62.7-43.2-178.600000112L132 V136 L272 A273 H279 G280 L281 W283L132-A276 HydrophobicContact CD1-CB 3.34Å; V136-A276 HydrophobicContact CG2-CB 3.84Å; L272-A276 PolarHBondContact O-N 3.06Å; A273-A276 PolarHBondContact O-N 3.28Å; A276-H279 PolarHBondContact O-N 2.8Å; A276-G280 PolarHBondContact O-N 2.9Å; A276-G280 VanDerWaalsContact O-N 3.07Å; A276-L281 HydrophobicContact CB-CB 4.18Å; A276-L281 HydrophobicContact CB-CD1 4.21Å; A276-L281 HydrophobicContact CB-CG 4.42Å; A276-L281 PolarHBondContact O-N 3.21Å; A276-W283 HydrophobicContact CB-CE3 3.97Å; A276-W283 HydrophobicContact CB-CH2 4.21Å; A276-W283 HydrophobicContact CB-CZ3 3.59Å
277L78Confident80.8Confident56 Ų5664.4 Ų64.429%0.29333%0.334SS..Hα-helixtrans-64.3-44.9176.7-67.6167.1000111.8Q110 A273 W275 H279 G280 W283Q110-L277 HydrophobicContact CB-CD1 3.82Å; Q110-L277 WeakPolarHBondContact O-CD1 3.49Å; A273-L277 WeakPolarHBondContact O-CB 3.48Å; A273-L277 VanDerWaalsContact O-CG 3.25Å; A273-L277 WeakPolarHBondContact O-CG 3.39Å; A273-L277 PolarHBondContact O-N 3.16Å; W275-L277 PolarHBondContact O-N 3.22Å; L277-H279 PolarHBondContact O-N 3.47Å; L277-G280 PolarHBondContact O-N 2.77Å; L277-G280 VanDerWaalsContact O-N 3.12Å; L277-W283 HydrophobicContact CD2-CH2 4.44Å
278A83.1Confident79.4Confident80 Ų8061 Ų6166%0.66133%0.329SS*.Hα-helixtrans-61.1-27.5-179.900000113.3Q274 W275Q274-A278 VanDerWaalsContact O-CB 3.25Å; Q274-A278 WeakPolarHBondContact O-CB 3.34Å; Q274-A278 PolarHBondContact O-N 3.39Å; W275-A278 PolarHBondContact O-N 3.47Å
279H87.2Confident78.5Confident84 Ų8461.3 Ų61.339%0.38933%0.33SS..THydrogen-bonded Turntrans-105.26.8179.1-62.987.5000113.5H139 W275 A276 L277 L281H139-H279 AromaticContact CE1-CD2 3.44Å; H139-H279 PolarHBondContact CE1-CD2 3.27Å; H139-H279 VanDerWaalsContact CE1-CD2 3.44Å; H139-H279 AromaticContact CE1-CG 3.66Å; W275-H279 AromaticContact CD1-ND1 3.83Å; W275-H279 AromaticContact CD2-CE1 3.79Å; W275-H279 AromaticContact CD2-ND1 3.95Å; W275-H279 AromaticContact CE2-CE1 3.44Å; W275-H279 VanDerWaalsContact CE2-CE1 3.44Å; W275-H279 AromaticContact CE2-ND1 3.64Å; W275-H279 AromaticContact CH2-CE1 3.94Å; W275-H279 AromaticContact CZ2-CE1 3.52Å; W275-H279 AromaticContact CZ2-NE2 3.94Å; W275-H279 AromaticContact NE1-CE1 3.82Å; W275-H279 AromaticContact NE1-ND1 3.54Å; W275-H279 PolarHBondContact O-N 2.98Å; W275-H279 PolarHBondContact O-ND1 2.83Å; A276-H279 PolarHBondContact O-N 2.8Å; L277-H279 PolarHBondContact O-N 3.47Å; H279-L281 HydrophobicContact CB-CD2 3.73Å; H279-L281 HydrophobicContact CB-CG 3.9Å; H279-L281 PolarHBondContact O-N 3.1Å
280G84.6Confident77.7Confident61 Ų6163 Ų6363%0.62934%0.341SS*.THydrogen-bonded Turntrans57.935.4-179.900000113.5A276 L277A276-G280 PolarHBondContact O-N 2.9Å; A276-G280 VanDerWaalsContact O-N 3.07Å; L277-G280 PolarHBondContact O-N 2.77Å; L277-G280 VanDerWaalsContact O-N 3.12Å
281L84.8Confident77.5Confident17 Ų1763.7 Ų63.79%0.08933%0.332CS..  trans-71.5150.1-178.6-50.6-174.6000110.4T135 H139 W180 A276 H279 W283T135-L281 HydrophobicContact CG2-CB 3.91Å; T135-L281 HydrophobicContact CG2-CD1 4.12Å; H139-L281 HydrophobicContact CB-CD1 3.71Å; H139-L281 HydrophobicContact CB-CD2 4.27Å; H139-L281 WeakPolarHBondContact CD2-CD2 3.28Å; W180-L281 HydrophobicContact CH2-CD2 4.44Å; W180-L281 HydrophobicContact CZ2-CD2 3.99Å; A276-L281 HydrophobicContact CB-CB 4.18Å; A276-L281 HydrophobicContact CB-CD1 4.21Å; A276-L281 HydrophobicContact CB-CG 4.42Å; A276-L281 PolarHBondContact O-N 3.21Å; H279-L281 HydrophobicContact CB-CD2 3.73Å; H279-L281 HydrophobicContact CB-CG 3.9Å; H279-L281 PolarHBondContact O-N 3.1Å; L281-W283 HydrophobicContact CB-CE3 4.38Å; L281-W283 WeakPolarHBondContact O-CZ3 3.38Å
282R76.6Confident77.4Confident169 Ų16963.8 Ų63.864%0.63834%0.335SS*.  trans-115143.9172.2-60-178.7-176.1-159-3.1109D85 T135D85-R282 IonicContact OD2-NH1 3.01Å; T135-R282 WeakPolarHBondContact CG2-O 3.49Å
283W77.4Confident77Confident46 Ų4667.7 Ų67.717%0.17436%0.363CS..  trans-151.6163.9-173.863.681.1000111.7G130 L132 T135 A276 L277 L281G130-W283 VanDerWaalsContact CA-CD1 3.42Å; G130-W283 PolarHBondContact O-NE1 3.28Å; L132-W283 HydrophobicContact CD1-CD2 4.37Å; L132-W283 HydrophobicContact CD1-CE3 4.5Å; L132-W283 HydrophobicContact CD1-CH2 4.5Å; L132-W283 HydrophobicContact CD1-CZ2 4.33Å; T135-W283 HydrophobicContact CG2-CB 4.11Å; T135-W283 VanDerWaalsContact OG1-CB 3.26Å; T135-W283 WeakPolarHBondContact OG1-CB 3.46Å; A276-W283 HydrophobicContact CB-CE3 3.97Å; A276-W283 HydrophobicContact CB-CH2 4.21Å; A276-W283 HydrophobicContact CB-CZ3 3.59Å; L277-W283 HydrophobicContact CD2-CH2 4.44Å; L281-W283 HydrophobicContact CB-CE3 4.38Å; L281-W283 WeakPolarHBondContact O-CZ3 3.38Å
284I71.3Confident77.1Confident44 Ų4469.3 Ų69.323%0.22637%0.365CS..  trans-110.7142.6-177.148165.1000110.9G131 W169 H172G131-I284 CarbonylContact C-O 3.44Å; G131-I284 WeakPolarHBondContact CA-O 3.45Å; G131-I284 VanDerWaalsContact N-C 3.32Å; G131-I284 PolarHBondContact N-O 2.89Å; W169-I284 HydrophobicContact CB-CD1 3.48Å; W169-I284 VanDerWaalsContact CB-CD1 3.48Å; W169-I284 HydrophobicContact CD2-CD1 4.46Å; W169-I284 HydrophobicContact CG-CD1 3.63Å; H172-I284 HydrophobicContact CB-CG2 3.75Å; H172-I284 VanDerWaalsContact CD2-CG2 3.45Å; H172-I284 WeakPolarHBondContact CD2-CG2 3.48Å
285E62.5Low77.4Confident32 Ų3267 Ų6715%0.1536%0.356CS..  trans-101140166.9-141157.616400112.2H129 G130 G131 W169H129-E285 IonicContact CE1-OE2 2.73Å; H129-E285 IonicContact CG-OE2 3.93Å; H129-E285 IonicContact ND1-OE1 3.31Å; H129-E285 IonicContact ND1-OE2 3.67Å; H129-E285 PolarHBondContact ND1-OE2 3.2Å; G130-E285 WeakPolarHBondContact CA-OE2 3.27Å; G130-E285 PolarHBondContact N-OE2 3.2Å; G131-E285 VanDerWaalsContact N-CA 3.34Å; W169-E285 WeakPolarHBondContact CZ2-O 3.3Å
286D70Confident77.4Confident52 Ų5265 Ų6528%0.27835%0.349SS..  trans-82.4116.1167.6-172.6-26.7000109.2W169 S288 N289W169-D286 HydrophobicContact CH2-CB 3.84Å; W169-D286 VanDerWaalsContact CH2-CG 3.4Å; W169-D286 VanDerWaalsContact CH2-OD1 3.23Å; W169-D286 WeakPolarHBondContact CH2-OD1 3.3Å; W169-D286 HydrophobicContact CZ2-CB 4.32Å; W169-D286 HydrophobicContact CZ3-CB 4.16Å; D286-S288 PolarHBondContact O-N 3.12Å; D286-S288 VanDerWaalsContact O-N 3.14Å; D286-S288 VanDerWaalsContact OD1-CB 3.23Å; D286-S288 WeakPolarHBondContact OD1-CB 3.41Å; D286-S288 PolarHBondContact OD1-N 3.48Å; D286-S288 PolarHBondContact OD1-OG 2.83Å; D286-S288 PolarHBondContact OD2-OG 2.88Å; D286-N289 WeakPolarHBondContact O-CB 3.48Å; D286-N289 VanDerWaalsContact O-CG 3.27Å; D286-N289 PolarHBondContact O-N 3.03Å; D286-N289 PolarHBondContact O-ND2 3.34Å
287E65.6Low77.5Confident106 Ų10665.6 Ų65.650%0.49535%0.352SS..G310 helixtrans-56-28.6179.2-63.8178.2160.700112.6N165 N289 Q290N165-E287 PolarHBondContact ND2-OE1 2.92Å; E287-N289 PolarHBondContact O-N 3Å; E287-N289 VanDerWaalsContact O-N 3.11Å; E287-Q290 PolarHBondContact O-N 3.2Å
288S65.7Low78Confident55 Ų5567.1 Ų67.139%0.38536%0.357SS..G310 helixtrans-63.2-17.2177.770.60000112.8D286 Q290 D291 N297D286-S288 PolarHBondContact O-N 3.12Å; D286-S288 VanDerWaalsContact O-N 3.14Å; D286-S288 VanDerWaalsContact OD1-CB 3.23Å; D286-S288 WeakPolarHBondContact OD1-CB 3.41Å; D286-S288 PolarHBondContact OD1-N 3.48Å; D286-S288 PolarHBondContact OD1-OG 2.83Å; D286-S288 PolarHBondContact OD2-OG 2.88Å; S288-Q290 PolarHBondContact O-N 3.23Å; S288-D291 WeakPolarHBondContact O-CB 3.4Å; S288-D291 PolarHBondContact O-N 2.95Å; S288-D291 VanDerWaalsContact O-N 3.12Å; S288-N297 PolarHBondContact O-ND2 2.87Å
289N69.9Low78.4Confident41 Ų4164.3 Ų64.322%0.21933%0.331CS..G310 helixtrans-64.6-16.6173.5-67-39.1000113.2D286 E287D286-N289 WeakPolarHBondContact O-CB 3.48Å; D286-N289 VanDerWaalsContact O-CG 3.27Å; D286-N289 PolarHBondContact O-N 3.03Å; D286-N289 PolarHBondContact O-ND2 3.34Å; E287-N289 PolarHBondContact O-N 3Å; E287-N289 VanDerWaalsContact O-N 3.11Å
290Q67.3Low78.4Confident114 Ų11463.4 Ų63.453%0.53332%0.324SS..G310 helixtrans-92.6-4.1177.1-58-58.7-35.100113.2E287 S288 D292E287-Q290 PolarHBondContact O-N 3.2Å; S288-Q290 PolarHBondContact O-N 3.23Å; Q290-D292 PolarHBondContact O-N 2.93Å
291D76.5Confident78.4Confident64 Ų6463 Ų6334%0.34231%0.306SS..  trans-83.2102179.2-173-7.8000111.4S288 S293 Y294 N297S288-D291 WeakPolarHBondContact O-CB 3.4Å; S288-D291 PolarHBondContact O-N 2.95Å; S288-D291 VanDerWaalsContact O-N 3.12Å; D291-S293 PolarHBondContact O-N 2.94Å; D291-S293 WeakPolarHBondContact OD1-CB 3.4Å; D291-S293 PolarHBondContact OD1-N 3.38Å; D291-S293 PolarHBondContact OD1-OG 3.42Å; D291-S293 PolarHBondContact OD2-OG 2.77Å; D291-S293 VanDerWaalsContact OD2-OG 3.13Å; D291-Y294 HydrophobicContact CB-CD2 4.09Å; D291-Y294 HydrophobicContact CB-CE2 4.01Å; D291-Y294 WeakPolarHBondContact OD2-CE2 3.43Å; D291-N297 WeakPolarHBondContact O-CB 3.25Å; D291-N297 PolarHBondContact O-ND2 3.33Å
292D82.6Confident78.6Confident71 Ų7169.4 Ų69.438%0.3833%0.33SS..THydrogen-bonded Turntrans-60.2-18.8176.5172.8-61.2000113.8Q290 Y294 F298 R302Q290-D292 PolarHBondContact O-N 2.93Å; D292-Y294 PolarHBondContact O-N 3.01Å; D292-F298 WeakPolarHBondContact O-CB 3.26Å; D292-R302 WeakPolarHBondContact OD2-CD 3.45Å; D292-R302 WeakPolarHBondContact OD2-CG 3.34Å; D292-R302 IonicContact OD2-NE 3.69Å
293S80.5Confident79.5Confident85 Ų8563.2 Ų63.259%0.59431%0.311SS*.THydrogen-bonded Turntrans-63.8-17.8-174.269.40000114.7D291D291-S293 PolarHBondContact O-N 2.94Å; D291-S293 WeakPolarHBondContact OD1-CB 3.4Å; D291-S293 PolarHBondContact OD1-N 3.38Å; D291-S293 PolarHBondContact OD1-OG 3.42Å; D291-S293 PolarHBondContact OD2-OG 2.77Å; D291-S293 VanDerWaalsContact OD2-OG 3.13Å
294Y81.9Confident80.1Confident56 Ų5661.4 Ų61.422%0.2230%0.304CS..SBendtrans-93.1133.2177.4-56.6-72.1000111.7I198 E199 D291 D292 R296 N297 F298I198-Y294 HydrophobicContact CB-CE1 4.1Å; E199-Y294 HydrophobicContact CB-CD1 3.79Å; E199-Y294 HydrophobicContact CB-CE1 4.29Å; E199-Y294 HydrophobicContact CB-CG 4.36Å; D291-Y294 HydrophobicContact CB-CD2 4.09Å; D291-Y294 HydrophobicContact CB-CE2 4.01Å; D291-Y294 WeakPolarHBondContact OD2-CE2 3.43Å; D292-Y294 PolarHBondContact O-N 3.01Å; Y294-R296 PolarHBondContact O-N 2.97Å; Y294-N297 PolarHBondContact O-N 3.44Å; Y294-F298 PolarHBondContact O-N 2.72Å
295D88.3Confident80.8Confident87 Ų8761.5 Ų61.547%0.46531%0.308SS..Hα-helixtrans-45.7-44.1-178.6-89.4-9.5000112.7L235 K238 L299L235-D295 HydrophobicContact CD2-CB 3.83Å; K238-D295 IonicContact NZ-OD2 3.76Å; K238-D295 PolarHBondContact NZ-OD2 3.46Å; D295-L299 WeakPolarHBondContact O-CG 3.26Å; D295-L299 PolarHBondContact O-N 2.81Å
296R88Confident82.2Confident44 Ų4465.3 Ų65.317%0.16633%0.329CS..Hα-helixtrans-70.2-44.4-179.3-175.9173.1-89.7110.3-0.6112.3E199 E231 L235 Y294 L299 R300E199-R296 WeakPolarHBondContact OE1-CB 3.18Å; E199-R296 IonicContact OE1-CZ 2.72Å; E199-R296 IonicContact OE1-NH1 3.47Å; E199-R296 PolarHBondContact OE1-NH1 3.06Å; E231-R296 HydrophobicContact CB-CG 4.4Å; E231-R296 HydrophobicContact CG-CG 4.48Å; E231-R296 VanDerWaalsContact OE2-CD 3.28Å; E231-R296 WeakPolarHBondContact OE2-CD 3.49Å; E231-R296 WeakPolarHBondContact OE2-CG 3.46Å; E231-R296 IonicContact OE2-NE 3.79Å; L235-R296 HydrophobicContact CD1-CB 4.4Å; Y294-R296 PolarHBondContact O-N 2.97Å; R296-L299 WeakPolarHBondContact O-CB 3.46Å; R296-L299 PolarHBondContact O-N 2.77Å; R296-R300 PolarHBondContact O-N 3.47Å
297N85Confident83.4Confident13 Ų1364.3 Ų64.37%0.0732%0.323CS..Hα-helixtrans-66.7-40.7178.2-70.9-4.9000111.7S288 D291 Y294 L299 R300 L301S288-N297 PolarHBondContact O-ND2 2.87Å; D291-N297 WeakPolarHBondContact O-CB 3.25Å; D291-N297 PolarHBondContact O-ND2 3.33Å; Y294-N297 PolarHBondContact O-N 3.44Å; N297-L299 VanDerWaalsContact C-N 3.29Å; N297-L299 PolarHBondContact O-N 3.3Å; N297-R300 PolarHBondContact O-N 3.01Å; N297-R300 VanDerWaalsContact O-N 3.17Å; N297-L301 HydrophobicContact CB-CD1 4.49Å; N297-L301 WeakPolarHBondContact O-CB 3.41Å; N297-L301 VanDerWaalsContact O-CG 3.3Å; N297-L301 WeakPolarHBondContact O-CG 3.43Å; N297-L301 PolarHBondContact O-N 3.29Å
298F89.8Confident84.5Confident89 Ų8962.3 Ų62.339%0.3931%0.314SS..Hα-helixtrans-55.1-45172.6173.6-108.3000111.7D292 Y294 R302 V303D292-F298 WeakPolarHBondContact O-CB 3.26Å; Y294-F298 PolarHBondContact O-N 2.72Å; F298-R302 HydrophobicContact CD2-CB 3.94Å; F298-R302 HydrophobicContact CD2-CG 3.65Å; F298-R302 HydrophobicContact CE2-CB 3.76Å; F298-R302 HydrophobicContact CE2-CG 3.81Å; F298-R302 HydrophobicContact CZ-CB 4.4Å; F298-R302 WeakPolarHBondContact O-CA 3.26Å; F298-R302 VanDerWaalsContact O-CB 3.27Å; F298-R302 WeakPolarHBondContact O-CB 3.43Å; F298-R302 PolarHBondContact O-N 2.96Å; F298-V303 HydrophobicContact CD1-CG2 3.95Å; F298-V303 HydrophobicContact CE1-CG2 3.4Å; F298-V303 HydrophobicContact CZ-CG2 3.78Å; F298-V303 PolarHBondContact O-N 3.48Å
299L92Very high85.5Confident21 Ų2167.4 Ų67.411%0.1133%0.332CS..Iπ-helixtrans-60.7-50.4175.6-70.6173.5000111.2E231 L234 L235 D295 R296 N297 L301 V303 V304E231-L299 HydrophobicContact CG-CB 4.4Å; L234-L299 HydrophobicContact CB-CD1 3.87Å; L234-L299 HydrophobicContact CB-CD2 4.12Å; L234-L299 HydrophobicContact CD1-CD2 4.07Å; L235-L299 HydrophobicContact CD2-CD1 3.68Å; L235-L299 HydrophobicContact CG-CD1 3.64Å; D295-L299 WeakPolarHBondContact O-CG 3.26Å; D295-L299 PolarHBondContact O-N 2.81Å; R296-L299 WeakPolarHBondContact O-CB 3.46Å; R296-L299 PolarHBondContact O-N 2.77Å; N297-L299 VanDerWaalsContact C-N 3.29Å; N297-L299 PolarHBondContact O-N 3.3Å; L299-L301 PolarHBondContact O-N 3.26Å; L299-V303 HydrophobicContact CD2-CB 3.88Å; L299-V303 HydrophobicContact CD2-CG1 4.07Å; L299-V303 HydrophobicContact CD2-CG2 3.95Å; L299-V303 PolarHBondContact O-N 2.87Å; L299-V303 VanDerWaalsContact O-N 3.16Å; L299-V304 WeakPolarHBondContact O-CB 3.43Å; L299-V304 WeakPolarHBondContact O-CG2 3.46Å; L299-V304 PolarHBondContact O-N 3.45Å
300R86.3Confident86.6Confident65 Ų6574.5 Ų74.525%0.24536%0.355CS..Iπ-helixtrans-61.1-42.1-178.8-177.7175.3-67.4174.7-3.9113.6D228 E231 R296 N297 P305D228-R300 IonicContact OD1-NH2 3.8Å; D228-R300 PolarHBondContact OD1-NH2 3.33Å; E231-R300 VanDerWaalsContact CD-NH2 3.35Å; E231-R300 IonicContact OE1-CZ 3.79Å; E231-R300 VanDerWaalsContact OE1-CZ 3.25Å; E231-R300 IonicContact OE1-NE 2.82Å; E231-R300 PolarHBondContact OE1-NE 3.27Å; E231-R300 IonicContact OE1-NH2 3.46Å; E231-R300 PolarHBondContact OE1-NH2 2.94Å; E231-R300 IonicContact OE2-CZ 2.63Å; E231-R300 IonicContact OE2-NE 3.92Å; E231-R300 IonicContact OE2-NH2 3.56Å; E231-R300 PolarHBondContact OE2-NH2 3.4Å; R296-R300 PolarHBondContact O-N 3.47Å; N297-R300 PolarHBondContact O-N 3.01Å; N297-R300 VanDerWaalsContact O-N 3.17Å; R300-P305 WeakPolarHBondContact O-CD 3.36Å; R300-P305 WeakPolarHBondContact O-CG 3.38Å
301L84.7Confident88Confident51 Ų5176.3 Ų76.327%0.26736%0.358SS..Iπ-helixtrans-90-30.8-172.4-62.8173.7000113.2N297 L299N297-L301 HydrophobicContact CB-CD1 4.49Å; N297-L301 WeakPolarHBondContact O-CB 3.41Å; N297-L301 VanDerWaalsContact O-CG 3.3Å; N297-L301 WeakPolarHBondContact O-CG 3.43Å; N297-L301 PolarHBondContact O-N 3.29Å; L299-L301 PolarHBondContact O-N 3.26Å
302R89.3Confident88.4Confident152 Ų15277.4 Ų77.457%0.57437%0.368SS*.Iπ-helixtrans-116.8-49.4-170.1-47.6-61.1-73.4179-6.6113D292 F298 L306D292-R302 WeakPolarHBondContact OD2-CD 3.45Å; D292-R302 WeakPolarHBondContact OD2-CG 3.34Å; D292-R302 IonicContact OD2-NE 3.69Å; F298-R302 HydrophobicContact CD2-CB 3.94Å; F298-R302 HydrophobicContact CD2-CG 3.65Å; F298-R302 HydrophobicContact CE2-CB 3.76Å; F298-R302 HydrophobicContact CE2-CG 3.81Å; F298-R302 HydrophobicContact CZ-CB 4.4Å; F298-R302 WeakPolarHBondContact O-CA 3.26Å; F298-R302 VanDerWaalsContact O-CB 3.27Å; F298-R302 WeakPolarHBondContact O-CB 3.43Å; F298-R302 PolarHBondContact O-N 2.96Å; R302-L306 VanDerWaalsContact O-CB 3.28Å; R302-L306 WeakPolarHBondContact O-CB 3.49Å
303V94Very high88.8Confident40 Ų4080.1 Ų80.124%0.24238%0.378CS..Iπ-helixtrans-83.8-53.9-169.6-179.10000112F298 L299 L306 L307F298-V303 HydrophobicContact CD1-CG2 3.95Å; F298-V303 HydrophobicContact CE1-CG2 3.4Å; F298-V303 HydrophobicContact CZ-CG2 3.78Å; F298-V303 PolarHBondContact O-N 3.48Å; L299-V303 HydrophobicContact CD2-CB 3.88Å; L299-V303 HydrophobicContact CD2-CG1 4.07Å; L299-V303 HydrophobicContact CD2-CG2 3.95Å; L299-V303 PolarHBondContact O-N 2.87Å; L299-V303 VanDerWaalsContact O-N 3.16Å; V303-L306 PolarHBondContact O-N 2.92Å; V303-L307 HydrophobicContact CG1-CD1 3.83Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 WeakPolarHBondContact O-CG 3.34Å; V303-L307 PolarHBondContact O-N 2.93Å
304V90.2Very high89.5Confident7 Ų778.3 Ų78.34%0.04236%0.359CS..Hα-helixtrans-60.3-45.1-178.9177.30000111.5L234 L299 L306 L307 Q308L234-V304 HydrophobicContact CD1-CG2 3.99Å; L299-V304 WeakPolarHBondContact O-CB 3.43Å; L299-V304 WeakPolarHBondContact O-CG2 3.46Å; L299-V304 PolarHBondContact O-N 3.45Å; V304-L306 VanDerWaalsContact C-N 3.33Å; V304-L306 PolarHBondContact O-N 3.35Å; V304-L307 PolarHBondContact O-N 3.46Å; V304-Q308 HydrophobicContact CG1-CG 4.29Å; V304-Q308 WeakPolarHBondContact O-CB 3.3Å; V304-Q308 WeakPolarHBondContact O-CG 3.21Å; V304-Q308 PolarHBondContact O-N 3.43Å
305P86.4Confident90Very high46 Ų4675.8 Ų75.830%0.29935%0.35SS..Hα-helixtrans-62.1-39.4176.3-2637.7000112.6R300 L307 Q308 Q309R300-P305 WeakPolarHBondContact O-CD 3.36Å; R300-P305 WeakPolarHBondContact O-CG 3.38Å; P305-L307 VanDerWaalsContact C-N 3.35Å; P305-L307 PolarHBondContact O-N 3.39Å; P305-Q308 PolarHBondContact O-N 3.49Å; P305-Q309 WeakPolarHBondContact O-CG 3.27Å; P305-Q309 PolarHBondContact O-N 2.86Å
306L92.7Very high90.3Very high112 Ų11275.3 Ų75.359%0.58635%0.345SS*.Hα-helixtrans-63.2-40.9176.4-175.2155.8000111.6R302 V303 V304 Q309R302-L306 VanDerWaalsContact O-CB 3.28Å; R302-L306 WeakPolarHBondContact O-CB 3.49Å; V303-L306 PolarHBondContact O-N 2.92Å; V304-L306 VanDerWaalsContact C-N 3.33Å; V304-L306 PolarHBondContact O-N 3.35Å; L306-Q309 WeakPolarHBondContact O-CB 3.41Å; L306-Q309 PolarHBondContact O-N 3.29Å
307L94Very high90.8Very high32 Ų3275.3 Ų75.317%0.16835%0.354CS..Hα-helixtrans-66.3-42.2175.8-67167.4000111.3V303 V304 P305 Q309 R310 W311 F314V303-L307 HydrophobicContact CG1-CD1 3.83Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 WeakPolarHBondContact O-CG 3.34Å; V303-L307 PolarHBondContact O-N 2.93Å; V304-L307 PolarHBondContact O-N 3.46Å; P305-L307 VanDerWaalsContact C-N 3.35Å; P305-L307 PolarHBondContact O-N 3.39Å; L307-Q309 VanDerWaalsContact C-N 3.28Å; L307-Q309 PolarHBondContact O-N 3Å; L307-R310 PolarHBondContact O-N 3.39Å; L307-W311 HydrophobicContact CD2-CE3 4.17Å; L307-W311 HydrophobicContact CD2-CZ3 3.83Å; L307-W311 PolarHBondContact O-N 3.15Å; L307-F314 HydrophobicContact CB-CB 4.47Å; L307-F314 HydrophobicContact CB-CD1 4.1Å; L307-F314 HydrophobicContact CB-CD2 4.18Å; L307-F314 HydrophobicContact CB-CE1 4.46Å; L307-F314 HydrophobicContact CB-CG 3.97Å; L307-F314 HydrophobicContact CD1-CD1 3.96Å; L307-F314 HydrophobicContact CD1-CE1 3.51Å; L307-F314 HydrophobicContact CD1-CE2 4.14Å; L307-F314 HydrophobicContact CD1-CG 4.48Å; L307-F314 HydrophobicContact CD1-CZ 3.62Å; L307-F314 HydrophobicContact CD2-CE2 4.4Å
308Q89Confident91.4Very high63 Ų6375 Ų7529%0.29435%0.353SS..Hα-helixtrans-64.8-27.4178.8-76.2174.9-20.800113.5V304 P305 R310 W311 P312 F314V304-Q308 HydrophobicContact CG1-CG 4.29Å; V304-Q308 WeakPolarHBondContact O-CB 3.3Å; V304-Q308 WeakPolarHBondContact O-CG 3.21Å; V304-Q308 PolarHBondContact O-N 3.43Å; P305-Q308 PolarHBondContact O-N 3.49Å; Q308-R310 PolarHBondContact O-N 3.04Å; Q308-W311 WeakPolarHBondContact CA-O 3.5Å; Q308-W311 CarbonylContact O-C 3.54Å; Q308-P312 WeakPolarHBondContact O-CA 3.35Å; Q308-F314 HydrophobicContact CG-CB 4.38Å
309Q87.3Confident91.7Very high162 Ų16271.8 Ų71.876%0.75734%0.343SS*.Hα-helixtrans-57.6-34.7173.7-74.4174.213.400113P305 L306 L307P305-Q309 WeakPolarHBondContact O-CG 3.27Å; P305-Q309 PolarHBondContact O-N 2.86Å; L306-Q309 WeakPolarHBondContact O-CB 3.41Å; L306-Q309 PolarHBondContact O-N 3.29Å; L307-Q309 VanDerWaalsContact C-N 3.28Å; L307-Q309 PolarHBondContact O-N 3Å
310R92.8Very high91.9Very high191 Ų19178.8 Ų78.872%0.72137%0.368SS*.Hα-helixtrans-99.2-34.8177.2-179.557.766.4-165.32.3112.6L307 Q308L307-R310 PolarHBondContact O-N 3.39Å; Q308-R310 PolarHBondContact O-N 3.04Å
311W96.1Very high92.5Very high152 Ų15278.3 Ų78.358%0.57638%0.375SS*.  trans-125.884.2-178-58.1-69.7000109.8L307 Q308 H313 F314L307-W311 HydrophobicContact CD2-CE3 4.17Å; L307-W311 HydrophobicContact CD2-CZ3 3.83Å; L307-W311 PolarHBondContact O-N 3.15Å; Q308-W311 WeakPolarHBondContact CA-O 3.5Å; Q308-W311 CarbonylContact O-C 3.54Å; W311-H313 PolarHBondContact O-N 2.92Å; W311-F314 HydrophobicContact CB-CB 4.22Å; W311-F314 HydrophobicContact CB-CD2 4.49Å; W311-F314 HydrophobicContact CE3-CD2 4.46Å; W311-F314 VanDerWaalsContact O-CB 3.26Å; W311-F314 WeakPolarHBondContact O-CB 3.31Å; W311-F314 PolarHBondContact O-N 3.48Å
312P84.9Confident93.1Very high86 Ų8676 Ų7656%0.55836%0.362SS*.THydrogen-bonded Turntrans-52.5-34.4-173.3-2935.5000114Q308 F314Q308-P312 WeakPolarHBondContact O-CA 3.35Å; P312-F314 PolarHBondContact O-N 3.29Å
313H92.2Very high93.4Very high129 Ų12971.6 Ų71.660%0.59736%0.359SS*.THydrogen-bonded Turntrans-9525.7-178.4-56.7-62.4000113.6W311 A315 E316 A317W311-H313 PolarHBondContact O-N 2.92Å; H313-A315 VanDerWaalsContact C-N 3.33Å; H313-A315 PolarHBondContact O-N 3.3Å; H313-E316 WeakPolarHBondContact CA-OE2 3.41Å; H313-E316 WeakPolarHBondContact CB-OE2 3.44Å; H313-E316 IonicContact CE1-OE2 2.86Å; H313-E316 IonicContact CG-OE2 3.49Å; H313-E316 VanDerWaalsContact CG-OE2 3.23Å; H313-E316 IonicContact ND1-OE1 3.15Å; H313-E316 IonicContact ND1-OE2 2.83Å; H313-E316 PolarHBondContact ND1-OE2 2.9Å; H313-E316 PolarHBondContact O-N 2.91Å; H313-A317 PolarHBondContact O-N 3.32Å
314F95Very high93.6Very high46 Ų4674 Ų7420%0.20237%0.37CS..Hα-helixtrans-59.4-41.4-175.5-176.1-93.7000112.8L234 L307 Q308 W311 P312 A317 T318L234-F314 HydrophobicContact CD1-CE1 4.43Å; L307-F314 HydrophobicContact CB-CB 4.47Å; L307-F314 HydrophobicContact CB-CD1 4.1Å; L307-F314 HydrophobicContact CB-CD2 4.18Å; L307-F314 HydrophobicContact CB-CE1 4.46Å; L307-F314 HydrophobicContact CB-CG 3.97Å; L307-F314 HydrophobicContact CD1-CD1 3.96Å; L307-F314 HydrophobicContact CD1-CE1 3.51Å; L307-F314 HydrophobicContact CD1-CE2 4.14Å; L307-F314 HydrophobicContact CD1-CG 4.48Å; L307-F314 HydrophobicContact CD1-CZ 3.62Å; L307-F314 HydrophobicContact CD2-CE2 4.4Å; Q308-F314 HydrophobicContact CG-CB 4.38Å; W311-F314 HydrophobicContact CB-CB 4.22Å; W311-F314 HydrophobicContact CB-CD2 4.49Å; W311-F314 HydrophobicContact CE3-CD2 4.46Å; W311-F314 VanDerWaalsContact O-CB 3.26Å; W311-F314 WeakPolarHBondContact O-CB 3.31Å; W311-F314 PolarHBondContact O-N 3.48Å; P312-F314 PolarHBondContact O-N 3.29Å; F314-A317 PolarHBondContact O-N 3.35Å; F314-T318 WeakPolarHBondContact CE1-OG1 3.45Å; F314-T318 WeakPolarHBondContact O-CB 3.46Å; F314-T318 PolarHBondContact O-N 3.08Å; F314-T318 PolarHBondContact O-OG1 2.98Å
315A92.6Very high93.9Very high3 Ų374.9 Ų74.93%0.02538%0.376CS..Hα-helixtrans-65.4-41.8179.500000111.6L226 C230 H313 T318 A319L226-A315 HydrophobicContact CD2-CB 4.05Å; L226-A315 HydrophobicContact CG-CB 4Å; C230-A315 HydrophobicContact CB-CB 4.01Å; H313-A315 VanDerWaalsContact C-N 3.33Å; H313-A315 PolarHBondContact O-N 3.3Å; A315-T318 WeakPolarHBondContact O-CB 3.21Å; A315-T318 PolarHBondContact O-N 3.44Å; A315-A319 PolarHBondContact O-N 2.81Å
316E95Very high94.4Very high78 Ų7874.8 Ų74.836%0.36438%0.379SS..Hα-helixtrans-64.1-43.1176.5-63.5157.9105.100111.6L226 H313 T318 A319 R320L226-E316 HydrophobicContact CD2-CB 4.3Å; L226-E316 HydrophobicContact CD2-CG 3.42Å; L226-E316 VanDerWaalsContact CD2-CG 3.42Å; H313-E316 WeakPolarHBondContact CA-OE2 3.41Å; H313-E316 WeakPolarHBondContact CB-OE2 3.44Å; H313-E316 IonicContact CE1-OE2 2.86Å; H313-E316 IonicContact CG-OE2 3.49Å; H313-E316 VanDerWaalsContact CG-OE2 3.23Å; H313-E316 IonicContact ND1-OE1 3.15Å; H313-E316 IonicContact ND1-OE2 2.83Å; H313-E316 PolarHBondContact ND1-OE2 2.9Å; H313-E316 PolarHBondContact O-N 2.91Å; E316-T318 VanDerWaalsContact C-N 3.32Å; E316-T318 PolarHBondContact O-N 3.06Å; E316-A319 PolarHBondContact O-N 2.82Å; E316-R320 PolarHBondContact O-N 2.92Å
317A97.3Very high94.6Very high43 Ų4375.2 Ų75.236%0.35538%0.378SS..Hα-helixtrans-62.8-40.1174.600000111.8H313 F314 R320 S321H313-A317 PolarHBondContact O-N 3.32Å; F314-A317 PolarHBondContact O-N 3.35Å; A317-R320 WeakPolarHBondContact O-CB 3.43Å; A317-R320 PolarHBondContact O-N 2.83Å; A317-S321 PolarHBondContact O-N 3.1Å; A317-S321 PolarHBondContact O-OG 3.41Å
318T97.5Very high94.7Very high8 Ų878.6 Ų78.65%0.04939%0.393CS..Hα-helixtrans-63.8-45.6177.5-57.50000111.5C230 F233 F314 A315 E316 R320 S321 A322C230-T318 HydrophobicContact CB-CG2 4.36Å; F233-T318 HydrophobicContact CB-CG2 3.43Å; F233-T318 VanDerWaalsContact CB-CG2 3.43Å; F233-T318 HydrophobicContact CD1-CG2 3.51Å; F233-T318 HydrophobicContact CD2-CG2 3.97Å; F233-T318 HydrophobicContact CE1-CG2 4.23Å; F233-T318 HydrophobicContact CG-CG2 3.36Å; F314-T318 WeakPolarHBondContact CE1-OG1 3.45Å; F314-T318 WeakPolarHBondContact O-CB 3.46Å; F314-T318 PolarHBondContact O-N 3.08Å; F314-T318 PolarHBondContact O-OG1 2.98Å; A315-T318 WeakPolarHBondContact O-CB 3.21Å; A315-T318 PolarHBondContact O-N 3.44Å; E316-T318 VanDerWaalsContact C-N 3.32Å; E316-T318 PolarHBondContact O-N 3.06Å; T318-R320 VanDerWaalsContact C-N 3.29Å; T318-R320 PolarHBondContact O-N 3.11Å; T318-S321 WeakPolarHBondContact O-CB 3.24Å; T318-S321 PolarHBondContact O-N 3.5Å; T318-S321 VanDerWaalsContact O-N 3.15Å; T318-A322 PolarHBondContact O-N 2.83Å
319A96.1Very high95Very high21 Ų2176.7 Ų76.717%0.17438%0.384CS..Hα-helixtrans-62.8-35.5176.100000112.4L226 Q229 A315 E316 A322 A323L226-A319 HydrophobicContact CD1-CB 3.36Å; Q229-A319 HydrophobicContact CG-CB 4.19Å; A315-A319 PolarHBondContact O-N 2.81Å; E316-A319 PolarHBondContact O-N 2.82Å; A319-A322 WeakPolarHBondContact O-CB 3.36Å; A319-A322 PolarHBondContact O-N 3.04Å; A319-A323 PolarHBondContact O-N 2.98Å
320R96.7Very high95.3Very high168 Ų16872.6 Ų72.663%0.63437%0.374SS*.Hα-helixtrans-62-44172.1-164.4-174.8-55.3146.76.1111.8E316 A317 T318 A322 A323 L324E316-R320 PolarHBondContact O-N 2.92Å; A317-R320 WeakPolarHBondContact O-CB 3.43Å; A317-R320 PolarHBondContact O-N 2.83Å; T318-R320 VanDerWaalsContact C-N 3.29Å; T318-R320 PolarHBondContact O-N 3.11Å; R320-A322 VanDerWaalsContact C-N 3.34Å; R320-A323 PolarHBondContact O-N 3.21Å; R320-L324 WeakPolarHBondContact O-CG 3.45Å; R320-L324 PolarHBondContact O-N 3.34Å
321S97.9Very high95.5Very high55 Ų5567 Ų6739%0.38536%0.358SS..Hα-helixtrans-63.9-37.8174.5-67.80000112.8A317 T318 L324 C325A317-S321 PolarHBondContact O-N 3.1Å; A317-S321 PolarHBondContact O-OG 3.41Å; T318-S321 WeakPolarHBondContact O-CB 3.24Å; T318-S321 PolarHBondContact O-N 3.5Å; T318-S321 VanDerWaalsContact O-N 3.15Å; S321-L324 PolarHBondContact O-N 2.87Å; S321-C325 PolarHBondContact O-N 3.18Å; S321-C325 PolarHBondContact O-SG 3.44Å
322A97.6Very high95.5Very high1 Ų162.9 Ų62.91%0.00835%0.347CS..Hα-helixtrans-62.6-45174.300000111.6F233 L246 A248 T318 A319 R320 L324 C325 A326F233-A322 HydrophobicContact CD2-CB 3.99Å; F233-A322 HydrophobicContact CE2-CB 4.43Å; L246-A322 WeakPolarHBondContact O-CA 3.36Å; L246-A322 WeakPolarHBondContact O-CB 3.34Å; A248-A322 HydrophobicContact CB-CB 4.17Å; T318-A322 PolarHBondContact O-N 2.83Å; A319-A322 WeakPolarHBondContact O-CB 3.36Å; A319-A322 PolarHBondContact O-N 3.04Å; R320-A322 VanDerWaalsContact C-N 3.34Å; A322-L324 PolarHBondContact O-N 2.99Å; A322-C325 WeakPolarHBondContact O-CB 3.37Å; A322-C325 PolarHBondContact O-N 2.96Å; A322-A326 PolarHBondContact O-N 3.44Å
323A96.7Very high96Very high60 Ų6062.6 Ų62.650%0.49634%0.34SS..Hα-helixtrans-61.1-43.9176.200000112.2A319 R320 C325 A326 E327A319-A323 PolarHBondContact O-N 2.98Å; R320-A323 PolarHBondContact O-N 3.21Å; A323-C325 VanDerWaalsContact C-N 3.34Å; A323-C325 PolarHBondContact O-N 3.22Å; A323-A326 WeakPolarHBondContact O-CB 3.42Å; A323-A326 PolarHBondContact O-N 3.4Å; A323-E327 PolarHBondContact O-N 3.05Å
324L97.4Very high96.2Very high92 Ų9263.4 Ų63.448%0.48234%0.344SS..Hα-helixtrans-61.2-40.4174.2-69.5169.9000111.9R320 S321 A322 A326 E327 Q328R320-L324 WeakPolarHBondContact O-CG 3.45Å; R320-L324 PolarHBondContact O-N 3.34Å; S321-L324 PolarHBondContact O-N 2.87Å; A322-L324 PolarHBondContact O-N 2.99Å; L324-A326 VanDerWaalsContact C-N 3.34Å; L324-A326 PolarHBondContact O-N 2.89Å; L324-E327 PolarHBondContact O-N 2.85Å; L324-Q328 VanDerWaalsContact O-CG 3.31Å; L324-Q328 WeakPolarHBondContact O-CG 3.15Å; L324-Q328 PolarHBondContact O-N 3.49Å
325C97.3Very high96.3Very high24 Ų2466.5 Ų66.516%0.16236%0.362CS..Hα-helixtrans-63.2-41175-68.20000111.9P243 L246 S321 A322 A323 Q328 E329P243-C325 HydrophobicContact CB-CB 4.27Å; L246-C325 HydrophobicContact CB-CB 4.38Å; S321-C325 PolarHBondContact O-N 3.18Å; S321-C325 PolarHBondContact O-SG 3.44Å; A322-C325 WeakPolarHBondContact O-CB 3.37Å; A322-C325 PolarHBondContact O-N 2.96Å; A323-C325 VanDerWaalsContact C-N 3.34Å; A323-C325 PolarHBondContact O-N 3.22Å; C325-Q328 PolarHBondContact O-N 3.2Å; C325-E329 WeakPolarHBondContact O-CG 3.48Å; C325-E329 PolarHBondContact O-N 2.99Å
326A95.9Very high96.5Very high45 Ų4567 Ų6737%0.37236%0.364SS..Hα-helixtrans-64.2-42.7176.100000112.2S247 A322 A323 L324 Q328 E329 S330S247-A326 WeakPolarHBondContact OG-CA 3.28Å; S247-A326 PolarHBondContact OG-N 3.5Å; A322-A326 PolarHBondContact O-N 3.44Å; A323-A326 WeakPolarHBondContact O-CB 3.42Å; A323-A326 PolarHBondContact O-N 3.4Å; L324-A326 VanDerWaalsContact C-N 3.34Å; L324-A326 PolarHBondContact O-N 2.89Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 2.92Å; A326-E329 PolarHBondContact O-N 3.22Å; A326-S330 PolarHBondContact O-N 3.45Å
327E96.5Very high96.5Very high120 Ų12065.7 Ų65.756%0.56137%0.367SS*.Hα-helixtrans-58-45.3174.6-175.5179.1-174.700111.4A323 L324 E329 S330 L331A323-E327 PolarHBondContact O-N 3.05Å; L324-E327 PolarHBondContact O-N 2.85Å; E327-E329 PolarHBondContact O-N 3.12Å; E327-S330 PolarHBondContact O-N 3.03Å; E327-L331 PolarHBondContact O-N 2.85Å
328Q96.6Very high96.5Very high104 Ų10470.3 Ų70.349%0.48639%0.386SS..Hα-helixtrans-65-37.1177-65.7-57.5107.900113L324 C325 A326 L332L324-Q328 VanDerWaalsContact O-CG 3.31Å; L324-Q328 WeakPolarHBondContact O-CG 3.15Å; L324-Q328 PolarHBondContact O-N 3.49Å; C325-Q328 PolarHBondContact O-N 3.2Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 2.92Å; Q328-L332 WeakPolarHBondContact O-CG 3.49Å; Q328-L332 PolarHBondContact O-N 2.84Å
329E94.9Very high96.4Very high23 Ų2371.6 Ų71.611%0.10739%0.392CS..Hα-helixtrans-70.3-37175.9-70.6-74.415000111.8P243 A244 C325 A326 E327 L332 D333 R368 R369P243-E329 HydrophobicContact CB-CG 4.31Å; A244-E329 HydrophobicContact CB-CG 4.13Å; A244-E329 PolarHBondContact N-OE1 3.29Å; C325-E329 WeakPolarHBondContact O-CG 3.48Å; C325-E329 PolarHBondContact O-N 2.99Å; A326-E329 PolarHBondContact O-N 3.22Å; E327-E329 PolarHBondContact O-N 3.12Å; E329-L332 WeakPolarHBondContact O-CB 3.36Å; E329-L332 PolarHBondContact O-N 3.06Å; E329-D333 VanDerWaalsContact O-CG 3.27Å; E329-D333 PolarHBondContact O-N 3.44Å; E329-R368 IonicContact OE1-NH1 3.88Å; E329-R369 PolarHBondContact O-NH2 3.46Å; E329-R369 IonicContact OE2-CZ 3.1Å; E329-R369 IonicContact OE2-NH1 2.99Å; E329-R369 IonicContact OE2-NH2 3.77Å; E329-R369 PolarHBondContact OE2-NH2 3.39Å
330S94.7Very high96.4Very high76 Ų7672.3 Ų72.353%0.53139%0.393SS..Hα-helixtrans-64.4-40.2173.3-173.50000111.9A326 E327 L332 D333 E334A326-S330 PolarHBondContact O-N 3.45Å; E327-S330 PolarHBondContact O-N 3.03Å; S330-L332 VanDerWaalsContact C-N 3.29Å; S330-L332 PolarHBondContact O-N 2.84Å; S330-D333 WeakPolarHBondContact O-CB 3.31Å; S330-D333 PolarHBondContact O-N 3.24Å; S330-E334 PolarHBondContact O-N 3.25Å
331L97Very high96.4Very high74 Ų7467.8 Ų67.839%0.38739%0.391SS..Hα-helixtrans-62.2-39.3173.217763.4000111.2E327 D333 E334 L335E327-L331 PolarHBondContact O-N 2.85Å; L331-D333 VanDerWaalsContact C-N 3.32Å; L331-E334 PolarHBondContact O-N 2.89Å; L331-L335 HydrophobicContact CD1-CD1 4.19Å; L331-L335 HydrophobicContact CD1-CG 4.24Å; L331-L335 HydrophobicContact CG-CD1 4Å; L331-L335 HydrophobicContact CG-CG 4.44Å; L331-L335 WeakPolarHBondContact O-CB 3.46Å; L331-L335 VanDerWaalsContact O-CG 3.28Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 3.48Å
332L95.6Very high96.3Very high65 Ų6571.4 Ų71.434%0.3440%0.402SS..Hα-helixtrans-67-33.5174.3-73.3178.3000112.4Q328 E329 S330 L336Q328-L332 WeakPolarHBondContact O-CG 3.49Å; Q328-L332 PolarHBondContact O-N 2.84Å; E329-L332 WeakPolarHBondContact O-CB 3.36Å; E329-L332 PolarHBondContact O-N 3.06Å; S330-L332 VanDerWaalsContact C-N 3.29Å; S330-L332 PolarHBondContact O-N 2.84Å; L332-L336 WeakPolarHBondContact O-CB 3.31Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 2.74Å
333D94.8Very high96.2Very high80 Ų8071.3 Ų71.343%0.42840%0.402SS..Hα-helixtrans-64.4-41.6174.4-65.5-23.4000111.1E329 S330 L331 A337 R369E329-D333 VanDerWaalsContact O-CG 3.27Å; E329-D333 PolarHBondContact O-N 3.44Å; S330-D333 WeakPolarHBondContact O-CB 3.31Å; S330-D333 PolarHBondContact O-N 3.24Å; L331-D333 VanDerWaalsContact C-N 3.32Å; D333-A337 PolarHBondContact O-N 3.26Å; D333-A337 VanDerWaalsContact O-N 3.17Å; D333-R369 WeakPolarHBondContact OD1-CG 3.34Å; D333-R369 IonicContact OD1-CZ 2.9Å; D333-R369 IonicContact OD1-NE 3.73Å; D333-R369 PolarHBondContact OD1-NE 3.43Å; D333-R369 IonicContact OD1-NH2 3.83Å; D333-R369 PolarHBondContact OD1-NH2 3.31Å
334E96.4Very high96.2Very high145 Ų14571.7 Ų71.768%0.67839%0.393SS*.Hα-helixtrans-61.4-53.6172.7-177-174.6155.900111.6S330 L331 L336 A337S330-E334 PolarHBondContact O-N 3.25Å; L331-E334 PolarHBondContact O-N 2.89Å; E334-L336 PolarHBondContact O-N 2.9Å; E334-A337 WeakPolarHBondContact O-CB 3.23Å; E334-A337 PolarHBondContact O-N 3.01Å
335L97.3Very high96.1Very high112 Ų11268.3 Ų68.359%0.58638%0.376SS*.Hα-helixtrans-66.8-23-175.3-70175.1000114L331L331-L335 HydrophobicContact CD1-CD1 4.19Å; L331-L335 HydrophobicContact CD1-CG 4.24Å; L331-L335 HydrophobicContact CG-CD1 4Å; L331-L335 HydrophobicContact CG-CG 4.44Å; L331-L335 WeakPolarHBondContact O-CB 3.46Å; L331-L335 VanDerWaalsContact O-CG 3.28Å; L331-L335 WeakPolarHBondContact O-CG 3.43Å; L331-L335 PolarHBondContact O-N 3.48Å
336L97Very high95.9Very high13 Ų1372.9 Ų72.97%0.06841%0.408CS..THydrogen-bonded Turntrans-104.72.4-178.2-62.1176.9000113.1L332 E334 D338 D339 L340 R362 A365 I366L332-L336 WeakPolarHBondContact O-CB 3.31Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 2.74Å; E334-L336 PolarHBondContact O-N 2.9Å; L336-D338 VanDerWaalsContact C-N 3.35Å; L336-D338 PolarHBondContact O-N 3.41Å; L336-D339 PolarHBondContact O-N 3.18Å; L336-L340 VanDerWaalsContact O-CB 3.31Å; L336-L340 WeakPolarHBondContact O-CB 3.45Å; L336-L340 PolarHBondContact O-N 2.88Å; L336-R362 HydrophobicContact CD2-CG 4.18Å; L336-A365 HydrophobicContact CD1-CB 3.51Å; L336-I366 HydrophobicContact CB-CD1 3.91Å; L336-I366 HydrophobicContact CD1-CD1 4.36Å; L336-I366 HydrophobicContact CD2-CD1 4.3Å; L336-I366 HydrophobicContact CG-CD1 4.42Å
337A96.1Very high95.7Very high50 Ų5076.7 Ų76.741%0.41342%0.418SS..Hα-helixtrans-56.5-46.8-177.800000112.2D333 E334 L340 A341D333-A337 PolarHBondContact O-N 3.26Å; D333-A337 VanDerWaalsContact O-N 3.17Å; E334-A337 WeakPolarHBondContact O-CB 3.23Å; E334-A337 PolarHBondContact O-N 3.01Å; A337-L340 PolarHBondContact O-N 3.17Å; A337-A341 WeakPolarHBondContact O-CB 3.49Å; A337-A341 PolarHBondContact O-N 3.5Å
338D96.2Very high95.6Very high141 Ų14171.6 Ų71.675%0.75440%0.399SS*.Hα-helixtrans-66.4-44179.4-70.2-20.2000112.3L336 L340 A341 H342L336-D338 VanDerWaalsContact C-N 3.35Å; L336-D338 PolarHBondContact O-N 3.41Å; D338-L340 VanDerWaalsContact C-N 3.31Å; D338-L340 PolarHBondContact O-N 3Å; D338-A341 PolarHBondContact O-N 2.94Å; D338-H342 WeakPolarHBondContact O-CB 3.3Å; D338-H342 PolarHBondContact O-N 3.15Å
339D96.4Very high95.6Very high35 Ų3566.8 Ų66.819%0.18738%0.376CS..Hα-helixtrans-60.7-43.8176.1-81.7-32.3000110.7L336 H342 C343 M358 R362 I366L336-D339 PolarHBondContact O-N 3.18Å; D339-H342 PolarHBondContact O-N 2.83Å; D339-C343 WeakPolarHBondContact O-CB 3.29Å; D339-C343 PolarHBondContact O-N 3.49Å; D339-C343 PolarHBondContact O-SG 2.98Å; D339-M358 HydrophobicContact CB-CE 4.35Å; D339-R362 IonicContact OD1-NH1 2.92Å; D339-R362 IonicContact OD2-CZ 2.67Å; D339-R362 IonicContact OD2-NE 3.77Å; D339-R362 IonicContact OD2-NH1 3.04Å; D339-R362 PolarHBondContact OD2-NH1 3.43Å; D339-I366 HydrophobicContact CB-CD1 3.6Å; D339-I366 HydrophobicContact CB-CG1 4.44Å
340L96.1Very high95.8Very high35 Ų3565.7 Ų65.718%0.18337%0.371CS..Hα-helixtrans-66.1-46.2179.5-174.465.5000110.7L336 A337 D338 H342 C343 Q344 I366 R369 W370L336-L340 VanDerWaalsContact O-CB 3.31Å; L336-L340 WeakPolarHBondContact O-CB 3.45Å; L336-L340 PolarHBondContact O-N 2.88Å; A337-L340 PolarHBondContact O-N 3.17Å; D338-L340 VanDerWaalsContact C-N 3.31Å; D338-L340 PolarHBondContact O-N 3Å; L340-H342 VanDerWaalsContact C-N 3.29Å; L340-H342 PolarHBondContact O-N 3.44Å; L340-C343 PolarHBondContact O-N 2.95Å; L340-Q344 WeakPolarHBondContact O-CB 3.28Å; L340-Q344 PolarHBondContact O-N 3.23Å; L340-I366 HydrophobicContact CB-CD1 4.18Å; L340-I366 HydrophobicContact CD1-CG2 4.1Å; L340-R369 HydrophobicContact CD1-CB 4.32Å; L340-R369 HydrophobicContact CD2-CB 3.93Å; L340-W370 HydrophobicContact CD1-CB 4.23Å
341A95.5Very high95.9Very high73 Ų7364.6 Ų64.660%0.60336%0.357SS*.Hα-helixtrans-61.9-36.217700000112.5A337 D338A337-A341 WeakPolarHBondContact O-CB 3.49Å; A337-A341 PolarHBondContact O-N 3.5Å; D338-A341 PolarHBondContact O-N 2.94Å
342H95.6Very high95.9Very high131 Ų13161.4 Ų61.461%0.60634%0.341SS*.Hα-helixtrans-71.9-36.5175.9-177.165.2000112.8D338 D339 L340D338-H342 WeakPolarHBondContact O-CB 3.3Å; D338-H342 PolarHBondContact O-N 3.15Å; D339-H342 PolarHBondContact O-N 2.83Å; L340-H342 VanDerWaalsContact C-N 3.29Å; L340-H342 PolarHBondContact O-N 3.44Å
343C96.9Very high95.9Very high0 Ų061.2 Ų61.20%035%0.349CS..Hα-helixtrans-84.1-30.6-178.8-62.80000112.8D339 L340 L350 Q351 M355D339-C343 WeakPolarHBondContact O-CB 3.29Å; D339-C343 PolarHBondContact O-N 3.49Å; D339-C343 PolarHBondContact O-SG 2.98Å; L340-C343 PolarHBondContact O-N 2.95Å; C343-L350 HydrophobicContact CB-CD1 3.63Å; C343-L350 HydrophobicContact CB-CG 4.39Å; C343-Q351 WeakPolarHBondContact O-CB 3.37Å; C343-Q351 VanDerWaalsContact O-CG 3.31Å; C343-Q351 WeakPolarHBondContact O-CG 3.2Å; C343-Q351 PolarHBondContact O-N 2.73Å; C343-M355 HydrophobicContact CB-CG 4.47Å; C343-M355 HydrophobicContact CB-SD 4.48Å
344Q96.6Very high96Very high67 Ų6759.2 Ų59.231%0.31334%0.34SS..BIsolated β-bridgetrans-84.1134.2-175.9-169.7171.49.900111.1L340 T349L340-Q344 WeakPolarHBondContact O-CB 3.28Å; L340-Q344 PolarHBondContact O-N 3.23Å; Q344-T349 WeakPolarHBondContact CA-O 3.42Å
345T95.6Very high96Very high22 Ų2252.4 Ų52.414%0.13531%0.308CS..  trans-91.5165.1178.370.80000112Q347 G348 T349 Q351T345-Q347 PolarHBondContact O-N 3.44Å; T345-Q347 PolarHBondContact OG1-N 3.14Å; T345-Q347 PolarHBondContact OG1-OE1 2.9Å; T345-G348 PolarHBondContact O-N 3.23Å; T345-T349 WeakPolarHBondContact CB-OG1 3.47Å; T345-T349 WeakPolarHBondContact CG2-OG1 3.4Å; T345-T349 PolarHBondContact N-O 3.29Å; T345-T349 PolarHBondContact OG1-N 3.04Å; T345-T349 VanDerWaalsContact OG1-N 3.07Å; T345-T349 PolarHBondContact OG1-O 3.2Å; T345-T349 PolarHBondContact OG1-OG1 3.22Å; T345-Q351 HydrophobicContact CG2-CG 3.88Å
346S92.9Very high96Very high119 Ų11951.7 Ų51.783%0.83231%0.305SS*.THydrogen-bonded Turntrans-63-18.2171.355.60000113.6G348S346-G348 VanDerWaalsContact C-N 3.3Å
347Q91.9Very high95.9Very high125 Ų12555.9 Ų55.958%0.58434%0.341SS*.THydrogen-bonded Turntrans-84.6-0.8173.8-61.280.918.300113.3T345 T349T345-Q347 PolarHBondContact O-N 3.44Å; T345-Q347 PolarHBondContact OG1-N 3.14Å; T345-Q347 PolarHBondContact OG1-OE1 2.9Å; Q347-T349 VanDerWaalsContact C-N 3.35Å; Q347-T349 HydrophobicContact CB-CG2 4.25Å
348G94.2Very high95.9Very high14 Ų1454.8 Ų54.814%0.14433%0.328CS..SBendtrans78.516.5-175.900000114.1T345 S346 W370T345-G348 PolarHBondContact O-N 3.23Å; S346-G348 VanDerWaalsContact C-N 3.3Å; G348-W370 PolarHBondContact O-NE1 3.22Å
349T96.5Very high96Very high3 Ų351.4 Ų51.42%0.01832%0.315CS..  trans-93.6166.9175.569.40000110.9Q344 T345 Q347 Q415 L416 W417Q344-T349 WeakPolarHBondContact CA-O 3.42Å; T345-T349 WeakPolarHBondContact CB-OG1 3.47Å; T345-T349 WeakPolarHBondContact CG2-OG1 3.4Å; T345-T349 PolarHBondContact N-O 3.29Å; T345-T349 PolarHBondContact OG1-N 3.04Å; T345-T349 VanDerWaalsContact OG1-N 3.07Å; T345-T349 PolarHBondContact OG1-O 3.2Å; T345-T349 PolarHBondContact OG1-OG1 3.22Å; Q347-T349 VanDerWaalsContact C-N 3.35Å; Q347-T349 HydrophobicContact CB-CG2 4.25Å; T349-Q415 PolarHBondContact OG1-OE1 2.94Å; T349-L416 WeakPolarHBondContact CA-O 3.26Å; T349-L416 VanDerWaalsContact CB-O 3.31Å; T349-L416 WeakPolarHBondContact CB-O 3.24Å; T349-W417 HydrophobicContact CG2-CD2 3.42Å; T349-W417 VanDerWaalsContact CG2-CD2 3.42Å; T349-W417 HydrophobicContact CG2-CE3 3.57Å; T349-W417 HydrophobicContact CG2-CG 4Å; T349-W417 HydrophobicContact CG2-CH2 3.9Å; T349-W417 HydrophobicContact CG2-CZ2 3.76Å; T349-W417 HydrophobicContact CG2-CZ3 3.8Å
350L97.8Very high96Very high0 Ų054.3 Ų54.30%033%0.331CS..EExtended strand (participates in β ladder)trans-117120.4179.7-165.471000111.3C343 M355 I366 I367 W370 Q415 L416C343-L350 HydrophobicContact CB-CD1 3.63Å; C343-L350 HydrophobicContact CB-CG 4.39Å; L350-M355 HydrophobicContact CD1-SD 4.46Å; L350-M355 HydrophobicContact CD2-CE 4.21Å; L350-M355 HydrophobicContact CD2-SD 3.66Å; L350-M355 HydrophobicContact CG-SD 3.87Å; L350-I366 HydrophobicContact CD1-CG2 3.97Å; L350-I366 HydrophobicContact CD2-CG2 4.15Å; L350-I367 HydrophobicContact CD2-CG1 3.99Å; L350-W370 HydrophobicContact CB-CD2 3.79Å; L350-W370 HydrophobicContact CB-CE3 4.24Å; L350-W370 HydrophobicContact CB-CG 4Å; L350-W370 HydrophobicContact CB-CZ2 4.35Å; L350-W370 HydrophobicContact CD1-CB 4.07Å; L350-W370 HydrophobicContact CD1-CG 4.07Å; L350-W370 HydrophobicContact CD2-CB 4.11Å; L350-W370 HydrophobicContact CD2-CD2 4.01Å; L350-W370 HydrophobicContact CD2-CE3 3.93Å; L350-W370 HydrophobicContact CD2-CG 4.09Å; L350-W370 HydrophobicContact CG-CD2 4.38Å; L350-W370 HydrophobicContact CG-CG 4.29Å; L350-Q415 CarbonylContact O-C 3.49Å; L350-Q415 VanDerWaalsContact O-CA 3.24Å; L350-Q415 WeakPolarHBondContact O-CA 3.35Å; L350-L416 HydrophobicContact CB-CB 4.28Å; L350-L416 HydrophobicContact CD2-CD1 4.47Å; L350-L416 PolarHBondContact N-O 2.89Å; L350-L416 PolarHBondContact O-N 3.18Å
351Q97.5Very high96Very high52 Ų5255.5 Ų55.524%0.24335%0.345CS..EExtended strand (participates in β ladder)trans-67.3128.2178.6-65.6-68.6-21.800111.3C343 T345 P354 Q415C343-Q351 WeakPolarHBondContact O-CB 3.37Å; C343-Q351 VanDerWaalsContact O-CG 3.31Å; C343-Q351 WeakPolarHBondContact O-CG 3.2Å; C343-Q351 PolarHBondContact O-N 2.73Å; T345-Q351 HydrophobicContact CG2-CG 3.88Å; Q351-P354 HydrophobicContact CB-CG 4.07Å; Q351-Q415 VanDerWaalsContact NE2-CD 3.32Å
352I96.9Very high96Very high7 Ų757.4 Ų57.44%0.03634%0.337CS..SBendtrans-79.6-39.1-179.6-63.8169.2000111.2M355 L356 W388 A392 R411 S414 L416I352-M355 PolarHBondContact O-N 2.92Å; I352-L356 HydrophobicContact CG2-CD2 4.31Å; I352-L356 HydrophobicContact CG2-CG 4.49Å; I352-L356 PolarHBondContact O-N 3.07Å; I352-W388 HydrophobicContact CG2-CH2 4.1Å; I352-W388 HydrophobicContact CG2-CZ3 4.36Å; I352-A392 HydrophobicContact CD1-CB 4.11Å; I352-A392 HydrophobicContact CG1-CB 4.22Å; I352-A392 HydrophobicContact CG2-CB 4.28Å; I352-R411 HydrophobicContact CD1-CG 3.68Å; I352-S414 WeakPolarHBondContact CB-O 3.38Å; I352-S414 WeakPolarHBondContact CG1-O 3.37Å; I352-S414 PolarHBondContact N-O 3.37Å; I352-L416 HydrophobicContact CD1-CD2 4.15Å; I352-L416 HydrophobicContact CD1-CG 4.26Å; I352-L416 HydrophobicContact CG1-CD2 4.48Å; I352-L416 HydrophobicContact CG1-CG 4.07Å
353A96.2Very high96.1Very high62 Ų6252.5 Ų52.551%0.51231%0.313SS..G310 helixtrans-58.1-46.1-170.300000114.2M355 L356A353-M355 PolarHBondContact O-N 3.2Å; A353-L356 PolarHBondContact O-N 3.42Å
354P95.8Very high96.1Very high38 Ų3852.8 Ų52.825%0.24732%0.316CS..G310 helixtrans-63.9-25.3177.7-20.933.7000113.5Q351Q351-P354 HydrophobicContact CB-CG 4.07Å
355M97.3Very high96Very high1 Ų150.2 Ų50.21%0.00531%0.305CS..G310 helixtrans-86.4-12.1-175.2-61-177.569.800113.8C343 L350 I352 A353 A357 M358 R363 I366 I367 W388C343-M355 HydrophobicContact CB-CG 4.47Å; C343-M355 HydrophobicContact CB-SD 4.48Å; L350-M355 HydrophobicContact CD1-SD 4.46Å; L350-M355 HydrophobicContact CD2-CE 4.21Å; L350-M355 HydrophobicContact CD2-SD 3.66Å; L350-M355 HydrophobicContact CG-SD 3.87Å; I352-M355 PolarHBondContact O-N 2.92Å; A353-M355 PolarHBondContact O-N 3.2Å; M355-A357 VanDerWaalsContact C-N 3.27Å; M355-A357 PolarHBondContact O-N 3.06Å; M355-M358 HydrophobicContact CB-SD 4.22Å; M355-M358 HydrophobicContact CG-CE 4.35Å; M355-M358 HydrophobicContact CG-SD 4.07Å; M355-M358 WeakPolarHBondContact O-CB 3.35Å; M355-M358 PolarHBondContact O-N 3.3Å; M355-R363 HydrophobicContact CB-CG 4.34Å; M355-R363 HydrophobicContact CE-CB 4.04Å; M355-R363 HydrophobicContact CE-CG 4.06Å; M355-R363 WeakPolarHBondContact O-CD 3.48Å; M355-R363 PolarHBondContact O-NH1 3.46Å; M355-I366 HydrophobicContact CE-CB 3.77Å; M355-I366 HydrophobicContact CE-CG2 3.66Å; M355-I366 HydrophobicContact SD-CG2 4.02Å; M355-I367 HydrophobicContact CE-CD1 4.48Å; M355-I367 HydrophobicContact CE-CG1 3.99Å; M355-W388 HydrophobicContact CB-CH2 3.55Å; M355-W388 HydrophobicContact CB-CZ3 3.71Å; M355-W388 HydrophobicContact CE-CZ3 4.3Å; M355-W388 HydrophobicContact SD-CZ3 4.32Å
356L96.3Very high96.1Very high98 Ų9849.2 Ų49.251%0.51330%0.299SS..THydrogen-bonded Turntrans-60.3-36.6-179-72171.7000112.5I352 A353 R363 W388 L393I352-L356 HydrophobicContact CG2-CD2 4.31Å; I352-L356 HydrophobicContact CG2-CG 4.49Å; I352-L356 PolarHBondContact O-N 3.07Å; A353-L356 PolarHBondContact O-N 3.42Å; L356-R363 PolarHBondContact O-NH1 3.04Å; L356-W388 HydrophobicContact CD2-CH2 4.32Å; L356-W388 HydrophobicContact CD2-CZ2 4.02Å; L356-L393 HydrophobicContact CD2-CD2 3.95Å
357A95.7Very high96.3Very high100 Ų10043.5 Ų43.583%0.82626%0.26SS*.THydrogen-bonded Turntrans-83.9-9.2-179.400000113.9M355M355-A357 VanDerWaalsContact C-N 3.27Å; M355-A357 PolarHBondContact O-N 3.06Å
358M97Very high96.4Very high28 Ų2839 Ų3914%0.13824%0.237CC..SBendtrans-74.7164.9-177.2-62.8-175.4179.700111.8D339 M355 R362 R363D339-M358 HydrophobicContact CB-CE 4.35Å; M355-M358 HydrophobicContact CB-SD 4.22Å; M355-M358 HydrophobicContact CG-CE 4.35Å; M355-M358 HydrophobicContact CG-SD 4.07Å; M355-M358 WeakPolarHBondContact O-CB 3.35Å; M355-M358 PolarHBondContact O-N 3.3Å; M358-R362 HydrophobicContact CB-CB 4.25Å; M358-R362 HydrophobicContact CB-CG 4.32Å; M358-R362 HydrophobicContact CG-CG 4.36Å; M358-R362 HydrophobicContact SD-CG 3.85Å; M358-R363 HydrophobicContact CB-CG 3.88Å; M358-R363 VanDerWaalsContact O-CZ 3.31Å; M358-R363 PolarHBondContact O-NH1 2.83Å
359S97.2Very high96.5Very high70 Ų7039.5 Ų39.549%0.4924%0.235SC..  trans-76.8161.3168.6680000111.4A361 R362 R363S359-A361 PolarHBondContact O-N 2.92Å; S359-R362 PolarHBondContact O-N 3.38Å; S359-R362 PolarHBondContact OG-N 3.12Å; S359-R363 WeakPolarHBondContact O-CG 3.49Å; S359-R363 PolarHBondContact O-N 3.22Å
360D96.5Very high96.5Very high96 Ų9639.3 Ų39.351%0.51323%0.234SC..Hα-helixtrans-57.7-37.6176.1-69-46.1000112.8R363 A364D360-R363 IonicContact OD1-CZ 3.44Å; D360-R363 IonicContact OD1-NE 3.02Å; D360-R363 IonicContact OD1-NH2 2.96Å; D360-R363 PolarHBondContact OD1-NH2 3.07Å; D360-A364 VanDerWaalsContact O-CB 3.29Å; D360-A364 WeakPolarHBondContact O-CB 3.5Å; D360-A364 PolarHBondContact O-N 3.27Å
361A95.5Very high96.4Very high59 Ų5939.4 Ų39.449%0.48823%0.234SC..Hα-helixtrans-64.1-46.8177.500000111.7S359 A364 A365S359-A361 PolarHBondContact O-N 2.92Å; A361-A364 PolarHBondContact O-N 2.86Å; A361-A365 WeakPolarHBondContact O-CB 3.46Å; A361-A365 PolarHBondContact O-N 2.78Å
362R96.5Very high96.1Very high114 Ų11439.3 Ų39.343%0.4324%0.242SC..Hα-helixtrans-64.7-44.5178.7-173.5175.9-73.2-129.20.6111L336 D339 M358 S359 A364 A365 I366L336-R362 HydrophobicContact CD2-CG 4.18Å; D339-R362 IonicContact OD1-NH1 2.92Å; D339-R362 IonicContact OD2-CZ 2.67Å; D339-R362 IonicContact OD2-NE 3.77Å; D339-R362 IonicContact OD2-NH1 3.04Å; D339-R362 PolarHBondContact OD2-NH1 3.43Å; M358-R362 HydrophobicContact CB-CB 4.25Å; M358-R362 HydrophobicContact CB-CG 4.32Å; M358-R362 HydrophobicContact CG-CG 4.36Å; M358-R362 HydrophobicContact SD-CG 3.85Å; S359-R362 PolarHBondContact O-N 3.38Å; S359-R362 PolarHBondContact OG-N 3.12Å; R362-A364 PolarHBondContact O-N 2.84Å; R362-A365 WeakPolarHBondContact O-CB 3.43Å; R362-A365 PolarHBondContact O-N 2.98Å; R362-I366 WeakPolarHBondContact O-CG1 3.18Å; R362-I366 PolarHBondContact O-N 2.93Å
363R97.4Very high95.9Very high27 Ų2741.6 Ų41.610%0.10227%0.267CS..Hα-helixtrans-57.9-50.6175.2-73.1-167.5-78.5-92.8-4.3113.1M355 L356 M358 S359 D360 A365 I366 I367 W388M355-R363 HydrophobicContact CB-CG 4.34Å; M355-R363 HydrophobicContact CE-CB 4.04Å; M355-R363 HydrophobicContact CE-CG 4.06Å; M355-R363 WeakPolarHBondContact O-CD 3.48Å; M355-R363 PolarHBondContact O-NH1 3.46Å; L356-R363 PolarHBondContact O-NH1 3.04Å; M358-R363 HydrophobicContact CB-CG 3.88Å; M358-R363 VanDerWaalsContact O-CZ 3.31Å; M358-R363 PolarHBondContact O-NH1 2.83Å; S359-R363 WeakPolarHBondContact O-CG 3.49Å; S359-R363 PolarHBondContact O-N 3.22Å; D360-R363 IonicContact OD1-CZ 3.44Å; D360-R363 IonicContact OD1-NE 3.02Å; D360-R363 IonicContact OD1-NH2 2.96Å; D360-R363 PolarHBondContact OD1-NH2 3.07Å; R363-A365 VanDerWaalsContact C-N 3.26Å; R363-A365 PolarHBondContact O-N 2.93Å; R363-I366 PolarHBondContact O-N 2.88Å; R363-I367 VanDerWaalsContact O-CG1 3.3Å; R363-I367 WeakPolarHBondContact O-CG1 3.36Å; R363-I367 PolarHBondContact O-N 2.94Å; R363-W388 VanDerWaalsContact CD-CH2 3.5Å; R363-W388 HydrophobicContact CG-CH2 4.49Å; R363-W388 HydrophobicContact CG-CZ3 4.49Å
364A96.2Very high95.6Very high7 Ų741.7 Ų41.76%0.05826%0.257CS..Hα-helixtrans-63.9-35-179.200000111.8D360 A361 R362 R368 L384D360-A364 VanDerWaalsContact O-CB 3.29Å; D360-A364 WeakPolarHBondContact O-CB 3.5Å; D360-A364 PolarHBondContact O-N 3.27Å; A361-A364 PolarHBondContact O-N 2.86Å; R362-A364 PolarHBondContact O-N 2.84Å; A364-R368 VanDerWaalsContact O-CB 3.31Å; A364-R368 WeakPolarHBondContact O-CB 3.08Å; A364-R368 PolarHBondContact O-N 2.87Å; A364-L384 HydrophobicContact CB-CB 4.19Å; A364-L384 HydrophobicContact CB-CD1 4.22Å
365A95.6Very high95.3Very high12 Ų1246.1 Ų46.110%0.09928%0.279CS..Hα-helixtrans-63.5-48.9173.200000111.4L336 A361 R362 R363 R368 R369L336-A365 HydrophobicContact CD1-CB 3.51Å; A361-A365 WeakPolarHBondContact O-CB 3.46Å; A361-A365 PolarHBondContact O-N 2.78Å; R362-A365 WeakPolarHBondContact O-CB 3.43Å; R362-A365 PolarHBondContact O-N 2.98Å; R363-A365 VanDerWaalsContact C-N 3.26Å; R363-A365 PolarHBondContact O-N 2.93Å; A365-R368 WeakPolarHBondContact O-CB 3.49Å; A365-R368 PolarHBondContact O-N 3.46Å; A365-R369 WeakPolarHBondContact O-CD 3.44Å; A365-R369 PolarHBondContact O-N 2.86Å; A365-R369 VanDerWaalsContact O-N 3.09Å
366I96.8Very high94.9Very high1 Ų146.8 Ų46.81%0.00529%0.285CS..Hα-helixtrans-61.7-47.7177.6-65.8-67.5000111.8L336 D339 L340 L350 M355 R362 R363 R368 R369 W370L336-I366 HydrophobicContact CB-CD1 3.91Å; L336-I366 HydrophobicContact CD1-CD1 4.36Å; L336-I366 HydrophobicContact CD2-CD1 4.3Å; L336-I366 HydrophobicContact CG-CD1 4.42Å; D339-I366 HydrophobicContact CB-CD1 3.6Å; D339-I366 HydrophobicContact CB-CG1 4.44Å; L340-I366 HydrophobicContact CB-CD1 4.18Å; L340-I366 HydrophobicContact CD1-CG2 4.1Å; L350-I366 HydrophobicContact CD1-CG2 3.97Å; L350-I366 HydrophobicContact CD2-CG2 4.15Å; M355-I366 HydrophobicContact CE-CB 3.77Å; M355-I366 HydrophobicContact CE-CG2 3.66Å; M355-I366 HydrophobicContact SD-CG2 4.02Å; R362-I366 WeakPolarHBondContact O-CG1 3.18Å; R362-I366 PolarHBondContact O-N 2.93Å; R363-I366 PolarHBondContact O-N 2.88Å; I366-R368 PolarHBondContact O-N 2.64Å; I366-R369 PolarHBondContact O-N 2.85Å; I366-W370 WeakPolarHBondContact O-CB 3.34Å; I366-W370 PolarHBondContact O-N 2.88Å
367I96.9Very high94.4Very high0 Ų046.1 Ų46.10%029%0.286CS..Hα-helixtrans-58.9-39.9178.1-66167.2000110.6L350 M355 R363 W370 L371 L384 I387 W388L350-I367 HydrophobicContact CD2-CG1 3.99Å; M355-I367 HydrophobicContact CE-CD1 4.48Å; M355-I367 HydrophobicContact CE-CG1 3.99Å; R363-I367 VanDerWaalsContact O-CG1 3.3Å; R363-I367 WeakPolarHBondContact O-CG1 3.36Å; R363-I367 PolarHBondContact O-N 2.94Å; I367-W370 HydrophobicContact CG2-CE3 4.31Å; I367-L371 HydrophobicContact CG2-CD1 3.96Å; I367-L371 HydrophobicContact CG2-CG 4.44Å; I367-L371 WeakPolarHBondContact O-CB 3.45Å; I367-L371 WeakPolarHBondContact O-CG 3.37Å; I367-L371 PolarHBondContact O-N 2.81Å; I367-L384 HydrophobicContact CB-CD2 4.04Å; I367-L384 HydrophobicContact CG2-CD2 3.57Å; I367-I387 HydrophobicContact CD1-CG2 4.19Å; I367-I387 HydrophobicContact CG2-CD1 3.99Å; I367-I387 HydrophobicContact CG2-CG2 4.17Å; I367-W388 HydrophobicContact CD1-CB 4.43Å; I367-W388 HydrophobicContact CD1-CE3 4.18Å
368R95.5Very high93.9Very high30 Ų3046.9 Ų46.911%0.11327%0.274CS..Hα-helixtrans-62.3-47.1177-178.7-179-66.9156.6-1.8112E329 A364 A365 I366 L371 A372 M378 L384E329-R368 IonicContact OE1-NH1 3.88Å; A364-R368 VanDerWaalsContact O-CB 3.31Å; A364-R368 WeakPolarHBondContact O-CB 3.08Å; A364-R368 PolarHBondContact O-N 2.87Å; A365-R368 WeakPolarHBondContact O-CB 3.49Å; A365-R368 PolarHBondContact O-N 3.46Å; I366-R368 PolarHBondContact O-N 2.64Å; R368-L371 PolarHBondContact O-N 3.02Å; R368-A372 WeakPolarHBondContact O-CB 3.39Å; R368-A372 PolarHBondContact O-N 3.22Å; R368-M378 HydrophobicContact CG-SD 3.77Å; R368-L384 HydrophobicContact CB-CD1 4.26Å; R368-L384 HydrophobicContact CB-CD2 4.3Å
369R95.1Very high93.5Very high24 Ų2446.3 Ų46.39%0.09127%0.273CS..Hα-helixtrans-66-41.7178.9-82.680.9-179.1164.513.6111.8E329 D333 L340 A365 I366 L371 A372 G373E329-R369 PolarHBondContact O-NH2 3.46Å; E329-R369 IonicContact OE2-CZ 3.1Å; E329-R369 IonicContact OE2-NH1 2.99Å; E329-R369 IonicContact OE2-NH2 3.77Å; E329-R369 PolarHBondContact OE2-NH2 3.39Å; D333-R369 WeakPolarHBondContact OD1-CG 3.34Å; D333-R369 IonicContact OD1-CZ 2.9Å; D333-R369 IonicContact OD1-NE 3.73Å; D333-R369 PolarHBondContact OD1-NE 3.43Å; D333-R369 IonicContact OD1-NH2 3.83Å; D333-R369 PolarHBondContact OD1-NH2 3.31Å; L340-R369 HydrophobicContact CD1-CB 4.32Å; L340-R369 HydrophobicContact CD2-CB 3.93Å; A365-R369 WeakPolarHBondContact O-CD 3.44Å; A365-R369 PolarHBondContact O-N 2.86Å; A365-R369 VanDerWaalsContact O-N 3.09Å; I366-R369 PolarHBondContact O-N 2.85Å; R369-L371 PolarHBondContact O-N 2.77Å; R369-A372 WeakPolarHBondContact O-CB 3.45Å; R369-A372 PolarHBondContact O-N 3.07Å; R369-G373 PolarHBondContact O-N 3.34Å
370W96.7Very high93Very high0 Ų046.4 Ų46.40%027%0.273CS..Hα-helixtrans-57.2-48.8174.116860.1000111.5L340 G348 L350 I366 I367 A372 G373 Q374 I409 L416 W418L340-W370 HydrophobicContact CD1-CB 4.23Å; G348-W370 PolarHBondContact O-NE1 3.22Å; L350-W370 HydrophobicContact CB-CD2 3.79Å; L350-W370 HydrophobicContact CB-CE3 4.24Å; L350-W370 HydrophobicContact CB-CG 4Å; L350-W370 HydrophobicContact CB-CZ2 4.35Å; L350-W370 HydrophobicContact CD1-CB 4.07Å; L350-W370 HydrophobicContact CD1-CG 4.07Å; L350-W370 HydrophobicContact CD2-CB 4.11Å; L350-W370 HydrophobicContact CD2-CD2 4.01Å; L350-W370 HydrophobicContact CD2-CE3 3.93Å; L350-W370 HydrophobicContact CD2-CG 4.09Å; L350-W370 HydrophobicContact CG-CD2 4.38Å; L350-W370 HydrophobicContact CG-CG 4.29Å; I366-W370 WeakPolarHBondContact O-CB 3.34Å; I366-W370 PolarHBondContact O-N 2.88Å; I367-W370 HydrophobicContact CG2-CE3 4.31Å; W370-A372 VanDerWaalsContact C-N 3.34Å; W370-A372 PolarHBondContact O-N 3.14Å; W370-G373 PolarHBondContact O-N 3.38Å; W370-Q374 WeakPolarHBondContact O-CG 3.49Å; W370-Q374 PolarHBondContact O-N 3.33Å; W370-I409 HydrophobicContact CH2-CG2 4.4Å; W370-I409 HydrophobicContact CZ3-CD1 4.32Å; W370-L416 HydrophobicContact CH2-CB 3.78Å; W370-L416 HydrophobicContact CZ2-CB 4.39Å; W370-L416 WeakPolarHBondContact CZ2-O 3.48Å; W370-L416 HydrophobicContact CZ3-CB 4.09Å; W370-L416 HydrophobicContact CZ3-CD1 4.49Å; W370-W418 HydrophobicContact CH2-CB 3.97Å; W370-W418 HydrophobicContact CZ2-CB 3.86Å
371L95.3Very high92.6Very high2 Ų247.6 Ų47.61%0.0127%0.27CS..Hα-helixtrans-63.5-38.4177-74173000112.7I367 R368 R369 G373 Q374 N375 A376 P379 I387 I409 W418I367-L371 HydrophobicContact CG2-CD1 3.96Å; I367-L371 HydrophobicContact CG2-CG 4.44Å; I367-L371 WeakPolarHBondContact O-CB 3.45Å; I367-L371 WeakPolarHBondContact O-CG 3.37Å; I367-L371 PolarHBondContact O-N 2.81Å; R368-L371 PolarHBondContact O-N 3.02Å; R369-L371 PolarHBondContact O-N 2.77Å; L371-G373 VanDerWaalsContact C-N 3.34Å; L371-G373 PolarHBondContact O-N 3.13Å; L371-Q374 PolarHBondContact O-N 3.12Å; L371-Q374 VanDerWaalsContact O-N 3.15Å; L371-N375 PolarHBondContact O-N 3.47Å; L371-A376 HydrophobicContact CB-CB 4Å; L371-A376 HydrophobicContact CD2-CB 4.09Å; L371-A376 WeakPolarHBondContact O-CB 3.29Å; L371-A376 PolarHBondContact O-N 3.3Å; L371-P379 HydrophobicContact CD1-CB 4.33Å; L371-P379 HydrophobicContact CD1-CG 3.82Å; L371-I387 HydrophobicContact CD1-CD1 3.96Å; L371-I409 HydrophobicContact CD1-CD1 4.08Å; L371-I409 HydrophobicContact CD2-CD1 3.79Å; L371-I409 HydrophobicContact CD2-CG1 4.47Å; L371-W418 HydrophobicContact CD2-CB 4.39Å; L371-W418 HydrophobicContact CD2-CD2 3.94Å; L371-W418 HydrophobicContact CD2-CE3 3.55Å; L371-W418 HydrophobicContact CD2-CG 4.31Å; L371-W418 HydrophobicContact CD2-CZ3 4.1Å
372A92.3Very high92.4Very high49 Ų4949.5 Ų49.541%0.40527%0.272SS..Hα-helixtrans-60.8-42.4174.300000111.8R368 R369 W370 Q374 N375R368-A372 WeakPolarHBondContact O-CB 3.39Å; R368-A372 PolarHBondContact O-N 3.22Å; R369-A372 WeakPolarHBondContact O-CB 3.45Å; R369-A372 PolarHBondContact O-N 3.07Å; W370-A372 VanDerWaalsContact C-N 3.34Å; W370-A372 PolarHBondContact O-N 3.14Å; A372-Q374 PolarHBondContact O-N 3.36Å; A372-N375 WeakPolarHBondContact O-CA 3.46Å; A372-N375 PolarHBondContact O-N 3.4Å
373G91.7Very high92.2Very high55 Ų5544.5 Ų44.557%0.56726%0.255SS*.Hα-helixtrans-64.6-23.4175.100000114.3R369 W370 L371 N375R369-G373 PolarHBondContact O-N 3.34Å; W370-G373 PolarHBondContact O-N 3.38Å; L371-G373 VanDerWaalsContact C-N 3.34Å; L371-G373 PolarHBondContact O-N 3.13Å; G373-N375 VanDerWaalsContact C-N 3.25Å; G373-N375 PolarHBondContact O-N 2.97Å
374Q91Very high92.1Very high64 Ų6443.3 Ų43.330%0.29925%0.251SS..THydrogen-bonded Turntrans-86.59.1171.8-57.6-59.8106.900113.1W370 L371 A372 A376 W418W370-Q374 WeakPolarHBondContact O-CG 3.49Å; W370-Q374 PolarHBondContact O-N 3.33Å; L371-Q374 PolarHBondContact O-N 3.12Å; L371-Q374 VanDerWaalsContact O-N 3.15Å; A372-Q374 PolarHBondContact O-N 3.36Å; Q374-A376 PolarHBondContact O-N 3.05Å; Q374-W418 HydrophobicContact CB-CG 4.14Å; Q374-W418 HydrophobicContact CG-CB 4.28Å; Q374-W418 HydrophobicContact CG-CG 4.4Å
375N87.8Confident92Very high131 Ų13146.3 Ų46.370%0.70127%0.268SS*.THydrogen-bonded Turntrans52.332.2-172.7-67.7-26.3000113.3L371 A372 G373L371-N375 PolarHBondContact O-N 3.47Å; A372-N375 WeakPolarHBondContact O-CA 3.46Å; A372-N375 PolarHBondContact O-N 3.4Å; G373-N375 VanDerWaalsContact C-N 3.25Å; G373-N375 PolarHBondContact O-N 2.97Å
376A89.6Confident92Very high16 Ų1650.3 Ų50.313%0.13228%0.281CS..PPolyproline II helixtrans-74.1150.1178.200000111.1L371 Q374 M378 W418L371-A376 HydrophobicContact CB-CB 4Å; L371-A376 HydrophobicContact CD2-CB 4.09Å; L371-A376 WeakPolarHBondContact O-CB 3.29Å; L371-A376 PolarHBondContact O-N 3.3Å; Q374-A376 PolarHBondContact O-N 3.05Å; A376-M378 PolarHBondContact O-N 3.28Å; A376-W418 HydrophobicContact CB-CD2 4.15Å; A376-W418 HydrophobicContact CB-CE3 4.46Å; A376-W418 HydrophobicContact CB-CH2 3.75Å; A376-W418 HydrophobicContact CB-CZ2 3.37Å; A376-W418 HydrophobicContact CB-CZ3 4.3Å
377P85Confident92Very high84 Ų8450.2 Ų50.255%0.54528%0.28SS..PPolyproline II helixtrans-59.1137.6170.126.1-33.9000110.2P379 W418P377-P379 WeakPolarHBondContact O-CD 3.47Å; P377-P379 VanDerWaalsContact O-N 3.13Å; P377-W418 HydrophobicContact CG-CH2 4.48Å
378M85.3Confident92.1Very high116 Ų11650.8 Ų50.857%0.57128%0.282SS*.PPolyproline II helixtrans-55.5118.4-176.6-175.363.96900110.8R368 A376R368-M378 HydrophobicContact CG-SD 3.77Å; A376-M378 PolarHBondContact O-N 3.28Å
379P88.8Confident92.1Very high16 Ų1654 Ų5410%0.10430%0.299CS..PPolyproline II helixtrans-73149.1-178.330-36.9000111.5L371 P377 A383 L384L371-P379 HydrophobicContact CD1-CB 4.33Å; L371-P379 HydrophobicContact CD1-CG 3.82Å; P377-P379 WeakPolarHBondContact O-CD 3.47Å; P377-P379 VanDerWaalsContact O-N 3.13Å; P379-A383 HydrophobicContact CB-CB 4.06Å; P379-L384 HydrophobicContact CB-CD2 4.11Å; P379-L384 HydrophobicContact CB-CG 4.23Å; P379-L384 HydrophobicContact CG-CD1 4.46Å; P379-L384 HydrophobicContact CG-CD2 3.51Å; P379-L384 HydrophobicContact CG-CG 3.93Å
380S87.3Confident92.1Very high71 Ų7157.2 Ų57.250%0.49732%0.315SS..PPolyproline II helixtrans-65.2160.4167.873.40000110.7D382 A383 L384S380-D382 PolarHBondContact O-N 3.25Å; S380-A383 WeakPolarHBondContact O-CB 3.27Å; S380-A383 PolarHBondContact O-N 2.99Å; S380-A383 WeakPolarHBondContact OG-CB 3.3Å; S380-A383 PolarHBondContact OG-N 2.86Å; S380-L384 PolarHBondContact O-N 3.18Å; S380-L384 VanDerWaalsContact O-N 3.14Å
381R88.9Confident92.1Very high122 Ų12257.2 Ų57.246%0.4632%0.315SS..Hα-helixtrans-59.9-38.6175.8-17860-179.3-168.94.7111.6L384 V385R381-L384 PolarHBondContact O-N 3.09Å; R381-V385 PolarHBondContact O-N 2.73Å
382D90.4Very high92.1Very high99 Ų9957.1 Ų57.153%0.52932%0.315SS..Hα-helixtrans-63.8-43.8175.3-176.369.8000111.7S380 L384 V385 R386S380-D382 PolarHBondContact O-N 3.25Å; D382-L384 VanDerWaalsContact C-N 3.28Å; D382-L384 PolarHBondContact O-N 3.35Å; D382-V385 WeakPolarHBondContact O-CB 3.37Å; D382-V385 PolarHBondContact O-N 3.17Å; D382-R386 WeakPolarHBondContact O-CG 3.37Å; D382-R386 PolarHBondContact O-N 3.01Å; D382-R386 WeakPolarHBondContact OD2-CD 3.2Å
383A92.6Very high92.2Very high8 Ų858.8 Ų58.87%0.06632%0.316CS..Hα-helixtrans-57.4-40.917600000112P379 S380 V385 R386 I387 L404P379-A383 HydrophobicContact CB-CB 4.06Å; S380-A383 WeakPolarHBondContact O-CB 3.27Å; S380-A383 PolarHBondContact O-N 2.99Å; S380-A383 WeakPolarHBondContact OG-CB 3.3Å; S380-A383 PolarHBondContact OG-N 2.86Å; A383-V385 VanDerWaalsContact C-N 3.33Å; A383-V385 PolarHBondContact O-N 2.88Å; A383-R386 PolarHBondContact O-N 3.18Å; A383-I387 WeakPolarHBondContact O-CD1 3.43Å; A383-I387 WeakPolarHBondContact O-CG1 3.13Å; A383-I387 PolarHBondContact O-N 3.24Å; A383-L404 HydrophobicContact CB-CD2 4.2Å
384L94.7Very high92.3Very high2 Ų257.3 Ų57.31%0.0130%0.298CS..Hα-helixtrans-61.2-39.4175.2-65.4172.3000112.7A364 I367 R368 P379 S380 R381 D382 I387 W388A364-L384 HydrophobicContact CB-CB 4.19Å; A364-L384 HydrophobicContact CB-CD1 4.22Å; I367-L384 HydrophobicContact CB-CD2 4.04Å; I367-L384 HydrophobicContact CG2-CD2 3.57Å; R368-L384 HydrophobicContact CB-CD1 4.26Å; R368-L384 HydrophobicContact CB-CD2 4.3Å; P379-L384 HydrophobicContact CB-CD2 4.11Å; P379-L384 HydrophobicContact CB-CG 4.23Å; P379-L384 HydrophobicContact CG-CD1 4.46Å; P379-L384 HydrophobicContact CG-CD2 3.51Å; P379-L384 HydrophobicContact CG-CG 3.93Å; S380-L384 PolarHBondContact O-N 3.18Å; S380-L384 VanDerWaalsContact O-N 3.14Å; R381-L384 PolarHBondContact O-N 3.09Å; D382-L384 VanDerWaalsContact C-N 3.28Å; D382-L384 PolarHBondContact O-N 3.35Å; L384-I387 HydrophobicContact CD2-CD1 4.48Å; L384-W388 PolarHBondContact O-N 3.29Å
385V95.3Very high92.2Very high70 Ų7063.5 Ų63.542%0.42432%0.319SS..Hα-helixtrans-65.7-46.8176174.90000110.2R381 D382 A383 I387 W388 Q389R381-V385 PolarHBondContact O-N 2.73Å; D382-V385 WeakPolarHBondContact O-CB 3.37Å; D382-V385 PolarHBondContact O-N 3.17Å; A383-V385 VanDerWaalsContact C-N 3.33Å; A383-V385 PolarHBondContact O-N 2.88Å; V385-I387 PolarHBondContact O-N 2.96Å; V385-W388 PolarHBondContact O-N 3.28Å; V385-W388 VanDerWaalsContact O-N 3.17Å; V385-Q389 HydrophobicContact CG1-CG 4.09Å; V385-Q389 WeakPolarHBondContact O-CG 3.35Å; V385-Q389 PolarHBondContact O-N 3.46Å
386R96Very high91.7Very high96 Ų9660.5 Ų60.536%0.36230%0.301SS..Hα-helixtrans-63.4-40.3-180-66.2-179.962-157.6-6.9112.6D382 A383 W388 Q389 E390 L402D382-R386 WeakPolarHBondContact O-CG 3.37Å; D382-R386 PolarHBondContact O-N 3.01Å; D382-R386 WeakPolarHBondContact OD2-CD 3.2Å; A383-R386 PolarHBondContact O-N 3.18Å; R386-W388 PolarHBondContact O-N 3.08Å; R386-Q389 PolarHBondContact O-N 3.49Å; R386-E390 HydrophobicContact CB-CG 4.42Å; R386-E390 VanDerWaalsContact CG-OE1 3.3Å; R386-E390 WeakPolarHBondContact CG-OE1 3.28Å; R386-E390 IonicContact CZ-OE1 3.81Å; R386-E390 IonicContact CZ-OE2 2.65Å; R386-E390 IonicContact NE-OE1 2.66Å; R386-E390 PolarHBondContact NE-OE1 3.47Å; R386-E390 IonicContact NE-OE2 3.41Å; R386-E390 PolarHBondContact NE-OE2 3.3Å; R386-E390 IonicContact NH2-OE1 3.52Å; R386-E390 IonicContact NH2-OE2 3.44Å; R386-E390 PolarHBondContact NH2-OE2 3.17Å; R386-E390 VanDerWaalsContact NH2-OE2 3.1Å; R386-E390 WeakPolarHBondContact O-CA 3.49Å; R386-E390 VanDerWaalsContact O-CB 3.22Å; R386-E390 WeakPolarHBondContact O-CB 3.44Å; R386-E390 PolarHBondContact O-N 2.76Å; R386-L402 HydrophobicContact CB-CD2 4.1Å
387I96.6Very high91.3Very high0 Ų066 Ų660%033%0.328CS..Iπ-helixtrans-53.7-46.4173.4-70.5162.1000110.4I367 L371 A383 L384 V385 V391 A392 L402 L404 I409 L416I367-I387 HydrophobicContact CD1-CG2 4.19Å; I367-I387 HydrophobicContact CG2-CD1 3.99Å; I367-I387 HydrophobicContact CG2-CG2 4.17Å; L371-I387 HydrophobicContact CD1-CD1 3.96Å; A383-I387 WeakPolarHBondContact O-CD1 3.43Å; A383-I387 WeakPolarHBondContact O-CG1 3.13Å; A383-I387 PolarHBondContact O-N 3.24Å; L384-I387 HydrophobicContact CD2-CD1 4.48Å; V385-I387 PolarHBondContact O-N 2.96Å; I387-V391 WeakPolarHBondContact O-CA 3.44Å; I387-V391 VanDerWaalsContact O-CB 3.22Å; I387-V391 WeakPolarHBondContact O-CB 3.48Å; I387-V391 PolarHBondContact O-N 2.87Å; I387-A392 PolarHBondContact O-N 2.83Å; I387-L402 HydrophobicContact CB-CD2 4.46Å; I387-L402 HydrophobicContact CG1-CD2 3.52Å; I387-L404 HydrophobicContact CD1-CD1 4.3Å; I387-I409 HydrophobicContact CD1-CD1 3.34Å; I387-I409 HydrophobicContact CG1-CD1 3.67Å; I387-I409 HydrophobicContact CG2-CD1 4.4Å; I387-I409 HydrophobicContact CG2-CG2 4.11Å; I387-L416 HydrophobicContact CG2-CD1 3.84Å
388W97.3Very high91.2Very high11 Ų1165.4 Ų65.44%0.04233%0.33CS..Iπ-helixtrans-70.9-50.8-179.4-172.4-102000112.4I352 M355 L356 R363 I367 L384 V385 R386 A392 L393I352-W388 HydrophobicContact CG2-CH2 4.1Å; I352-W388 HydrophobicContact CG2-CZ3 4.36Å; M355-W388 HydrophobicContact CB-CH2 3.55Å; M355-W388 HydrophobicContact CB-CZ3 3.71Å; M355-W388 HydrophobicContact CE-CZ3 4.3Å; M355-W388 HydrophobicContact SD-CZ3 4.32Å; L356-W388 HydrophobicContact CD2-CH2 4.32Å; L356-W388 HydrophobicContact CD2-CZ2 4.02Å; R363-W388 VanDerWaalsContact CD-CH2 3.5Å; R363-W388 HydrophobicContact CG-CH2 4.49Å; R363-W388 HydrophobicContact CG-CZ3 4.49Å; I367-W388 HydrophobicContact CD1-CB 4.43Å; I367-W388 HydrophobicContact CD1-CE3 4.18Å; L384-W388 PolarHBondContact O-N 3.29Å; V385-W388 PolarHBondContact O-N 3.28Å; V385-W388 VanDerWaalsContact O-N 3.17Å; R386-W388 PolarHBondContact O-N 3.08Å; W388-A392 HydrophobicContact CD2-CB 3.9Å; W388-A392 HydrophobicContact CE3-CB 3.5Å; W388-A392 VanDerWaalsContact CE3-CB 3.5Å; W388-A392 HydrophobicContact CG-CB 4.48Å; W388-A392 HydrophobicContact CZ3-CB 3.87Å; W388-A392 WeakPolarHBondContact O-CB 3.3Å; W388-A392 PolarHBondContact O-N 2.86Å; W388-L393 HydrophobicContact CZ2-CD2 4.23Å; W388-L393 PolarHBondContact O-N 2.74Å
389Q96.1Very high91.2Very high97 Ų9762.7 Ų62.745%0.45332%0.323SS..Iπ-helixtrans-73.4-44-172.8-62.8-63.3-24.800113V385 R386V385-Q389 HydrophobicContact CG1-CG 4.09Å; V385-Q389 WeakPolarHBondContact O-CG 3.35Å; V385-Q389 PolarHBondContact O-N 3.46Å; R386-Q389 PolarHBondContact O-N 3.49Å
390E95.4Very high91.2Very high92 Ų9262.5 Ų62.543%0.4332%0.321SS..Iπ-helixtrans-90.4-20.6-174.2-57.1173.8-160.700112.7R386 A394R386-E390 HydrophobicContact CB-CG 4.42Å; R386-E390 VanDerWaalsContact CG-OE1 3.3Å; R386-E390 WeakPolarHBondContact CG-OE1 3.28Å; R386-E390 IonicContact CZ-OE1 3.81Å; R386-E390 IonicContact CZ-OE2 2.65Å; R386-E390 IonicContact NE-OE1 2.66Å; R386-E390 PolarHBondContact NE-OE1 3.47Å; R386-E390 IonicContact NE-OE2 3.41Å; R386-E390 PolarHBondContact NE-OE2 3.3Å; R386-E390 IonicContact NH2-OE1 3.52Å; R386-E390 IonicContact NH2-OE2 3.44Å; R386-E390 PolarHBondContact NH2-OE2 3.17Å; R386-E390 VanDerWaalsContact NH2-OE2 3.1Å; R386-E390 WeakPolarHBondContact O-CA 3.49Å; R386-E390 VanDerWaalsContact O-CB 3.22Å; R386-E390 WeakPolarHBondContact O-CB 3.44Å; R386-E390 PolarHBondContact O-N 2.76Å; E390-A394 WeakPolarHBondContact O-CB 3.33Å
391V96.2Very high91.5Very high1 Ų161.9 Ų61.91%0.00632%0.316CS..Iπ-helixtrans-117.7-56.4-177.2-168.40000112.9I387 A394 P400 L402 I409 R411 L416I387-V391 WeakPolarHBondContact O-CA 3.44Å; I387-V391 VanDerWaalsContact O-CB 3.22Å; I387-V391 WeakPolarHBondContact O-CB 3.48Å; I387-V391 PolarHBondContact O-N 2.87Å; V391-A394 PolarHBondContact O-N 3.05Å; V391-P400 HydrophobicContact CG1-CB 4.2Å; V391-P400 HydrophobicContact CG1-CG 4.16Å; V391-L402 HydrophobicContact CG2-CB 3.67Å; V391-I409 HydrophobicContact CG1-CG2 4.33Å; V391-R411 HydrophobicContact CG1-CB 4.02Å; V391-R411 WeakPolarHBondContact O-CD 3.31Å; V391-L416 HydrophobicContact CB-CD2 4.3Å; V391-L416 HydrophobicContact CG1-CD2 3.82Å
392A95.9Very high91.7Very high0 Ų056.5 Ų56.50%030%0.297CS..Iπ-helixtrans-66.1-42.7-176.400000112.2I352 I387 W388 R411 L416I352-A392 HydrophobicContact CD1-CB 4.11Å; I352-A392 HydrophobicContact CG1-CB 4.22Å; I352-A392 HydrophobicContact CG2-CB 4.28Å; I387-A392 PolarHBondContact O-N 2.83Å; W388-A392 HydrophobicContact CD2-CB 3.9Å; W388-A392 HydrophobicContact CE3-CB 3.5Å; W388-A392 VanDerWaalsContact CE3-CB 3.5Å; W388-A392 HydrophobicContact CG-CB 4.48Å; W388-A392 HydrophobicContact CZ3-CB 3.87Å; W388-A392 WeakPolarHBondContact O-CB 3.3Å; W388-A392 PolarHBondContact O-N 2.86Å; A392-R411 PolarHBondContact O-NH1 3.33Å; A392-L416 HydrophobicContact CB-CD1 4.37Å; A392-L416 HydrophobicContact CB-CD2 4.07Å
393L95.1Very high91.8Very high83 Ų8359.8 Ų59.844%0.43530%0.302SS..SBendtrans-86.4-12.4179.7-63.5-176.4000114.3L356 W388L356-L393 HydrophobicContact CD2-CD2 3.95Å; W388-L393 HydrophobicContact CZ2-CD2 4.23Å; W388-L393 PolarHBondContact O-N 2.74Å
394A93.3Very high91.7Very high24 Ų2461.3 Ų61.320%0.19831%0.309CS..SBendtrans-66.7149.5176.300000111.7E390 V391 P400 R411E390-A394 WeakPolarHBondContact O-CB 3.33Å; V391-A394 PolarHBondContact O-N 3.05Å; A394-P400 HydrophobicContact CB-CB 3.59Å; A394-P400 HydrophobicContact CB-CG 3.87Å; A394-R411 PolarHBondContact O-NH1 2.97Å
395R88.4Confident91.2Very high195 Ų19564.4 Ų64.474%0.73634%0.341SS*.  trans-65.7138.2176.3-57.4-177.7176.8171.9-0.1110D397 A398R395-D397 VanDerWaalsContact C-N 3.26Å; R395-D397 WeakPolarHBondContact CB-OD1 3.47Å; R395-D397 PolarHBondContact O-N 3.15Å; R395-A398 WeakPolarHBondContact O-CB 3.43Å; R395-A398 PolarHBondContact O-N 3.09Å; R395-A398 VanDerWaalsContact O-N 3.12Å
396E78.3Confident91Very high67 Ų6764.2 Ų64.231%0.31335%0.347SS..G310 helixtrans-64.3-30.8-176.9-67.8-169.6-175.200113.5A398 S399 R411 S414E396-A398 PolarHBondContact O-N 2.83Å; E396-S399 PolarHBondContact O-N 3.1Å; E396-S399 VanDerWaalsContact O-N 3.12Å; E396-R411 HydrophobicContact CG-CG 4.03Å; E396-R411 IonicContact OE1-CZ 2.64Å; E396-R411 IonicContact OE1-NE 3.25Å; E396-R411 PolarHBondContact OE1-NE 3.5Å; E396-R411 IonicContact OE1-NH2 3.79Å; E396-R411 PolarHBondContact OE1-NH2 3.19Å; E396-S414 WeakPolarHBondContact OE1-CA 3.4Å; E396-S414 PolarHBondContact OE1-N 2.93Å
397D81Confident90.9Very high133 Ų13363 Ų6371%0.71134%0.344SS*.G310 helixtrans-67-20.9177.463.3-22.1000113R395 S399R395-D397 VanDerWaalsContact C-N 3.26Å; R395-D397 WeakPolarHBondContact CB-OD1 3.47Å; R395-D397 PolarHBondContact O-N 3.15Å; D397-S399 PolarHBondContact O-N 3.02Å
398A82.8Confident90.8Very high71 Ų7163.1 Ų63.159%0.58735%0.345SS*.G310 helixtrans-76.5-6.6173.700000113.7R395 E396R395-A398 WeakPolarHBondContact O-CB 3.43Å; R395-A398 PolarHBondContact O-N 3.09Å; R395-A398 VanDerWaalsContact O-N 3.12Å; E396-A398 PolarHBondContact O-N 2.83Å
399S84.6Confident90.7Very high59 Ų5962.6 Ų62.641%0.41334%0.343SS..  trans50.155.9-177.3-55.50000112.9E396 D397 C401E396-S399 PolarHBondContact O-N 3.1Å; E396-S399 VanDerWaalsContact O-N 3.12Å; D397-S399 PolarHBondContact O-N 3.02Å; S399-C401 PolarHBondContact O-N 2.92Å
400P89.6Confident90.7Very high12 Ų1260.2 Ų60.28%0.07833%0.33CS..  trans-64.5139.5-17130.5-37.5000111.4V391 A394 R410 R411V391-P400 HydrophobicContact CG1-CB 4.2Å; V391-P400 HydrophobicContact CG1-CG 4.16Å; A394-P400 HydrophobicContact CB-CB 3.59Å; A394-P400 HydrophobicContact CB-CG 3.87Å; P400-R410 WeakPolarHBondContact O-CA 3.35Å; P400-R411 HydrophobicContact CG-CB 3.61Å
401C92.6Very high90.7Very high58 Ų5858 Ų5839%0.39232%0.317SS..EExtended strand (participates in β ladder)trans-146.3122.6-173.31770000110.3S399 I409 R410S399-C401 PolarHBondContact O-N 2.92Å; C401-I409 WeakPolarHBondContact CA-O 2.91Å; C401-R410 HydrophobicContact CB-CG 4.06Å
402L94.3Very high90.7Very high8 Ų859 Ų594%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-111.6115.7169-176.470.1000109.2R386 I387 V391 E408 I409R386-L402 HydrophobicContact CB-CD2 4.1Å; I387-L402 HydrophobicContact CB-CD2 4.46Å; I387-L402 HydrophobicContact CG1-CD2 3.52Å; V391-L402 HydrophobicContact CG2-CB 3.67Å; L402-E408 CarbonylContact O-C 3.48Å; L402-E408 VanDerWaalsContact O-CA 3.27Å; L402-E408 WeakPolarHBondContact O-CA 3.45Å; L402-I409 PolarHBondContact N-O 2.78Å; L402-I409 PolarHBondContact O-N 2.85Å
403R92.9Very high90.5Very high168 Ų16863.6 Ų63.663%0.63434%0.342SS*.EExtended strand (participates in β ladder)trans-83.1130.8177.9-173.7173.3-73.2174.4-4.3110.8G405R403-G405 WeakPolarHBondContact CG-O 3.31Å
404L88.7Confident90.4Very high41 Ų4162 Ų6222%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-130.284.6179.1-68.8169.2000108.5A383 I387 A406 F407 I409 W418A383-L404 HydrophobicContact CB-CD2 4.2Å; I387-L404 HydrophobicContact CD1-CD1 4.3Å; L404-A406 PolarHBondContact O-N 2.81Å; L404-F407 CarbonylContact C-O 3.47Å; L404-F407 PolarHBondContact N-O 2.64Å; L404-F407 PolarHBondContact O-N 2.97Å; L404-I409 HydrophobicContact CD1-CD1 3.63Å; L404-I409 HydrophobicContact CD1-CG1 4.26Å; L404-W418 HydrophobicContact CB-CH2 4.37Å; L404-W418 HydrophobicContact CB-CZ3 4.16Å; L404-W418 HydrophobicContact CD1-CZ3 3.98Å
405G86Confident90.6Very high67 Ų6762 Ų6269%0.69133%0.334SS*.THydrogen-bonded Turntrans67.1-127.8-17400000112.1R403 F407R403-G405 WeakPolarHBondContact CG-O 3.31Å; G405-F407 PolarHBondContact O-N 2.85Å
406A89.3Confident91Very high66 Ų6652.7 Ų52.755%0.54530%0.299SS..THydrogen-bonded Turntrans-77.3-3.1176.600000113.9L404 S421L404-A406 PolarHBondContact O-N 2.81Å; A406-S421 WeakPolarHBondContact O-CB 3.18Å; A406-S421 PolarHBondContact O-N 3.4Å
407F93.9Very high91.9Very high70 Ų7052 Ų5231%0.30729%0.294SS..EExtended strand (participates in β ladder)trans-117.6168.2-177-64.5-94.3000110.8L404 G405 W418 I419 K420L404-F407 CarbonylContact C-O 3.47Å; L404-F407 PolarHBondContact N-O 2.64Å; L404-F407 PolarHBondContact O-N 2.97Å; G405-F407 PolarHBondContact O-N 2.85Å; F407-W418 HydrophobicContact CB-CD2 4.33Å; F407-W418 HydrophobicContact CB-CE3 4.24Å; F407-W418 HydrophobicContact CB-CH2 3.21Å; F407-W418 HydrophobicContact CB-CZ2 3.27Å; F407-W418 HydrophobicContact CB-CZ3 3.72Å; F407-W418 HydrophobicContact CD1-CD2 4.47Å; F407-W418 AromaticContact CD1-CE2 3.59Å; F407-W418 HydrophobicContact CD1-CH2 4.4Å; F407-W418 AromaticContact CD1-CZ2 3.55Å; F407-W418 HydrophobicContact CD1-CZ2 3.55Å; F407-W418 AromaticContact CD1-NE1 3.64Å; F407-W418 HydrophobicContact CD2-CH2 4.13Å; F407-W418 AromaticContact CD2-CZ2 3.65Å; F407-W418 HydrophobicContact CD2-CZ2 3.65Å; F407-W418 HydrophobicContact CE1-CZ2 4.27Å; F407-W418 AromaticContact CE1-NE1 3.95Å; F407-W418 HydrophobicContact CE2-CZ2 4.35Å; F407-W418 AromaticContact CG-CE2 3.74Å; F407-W418 AromaticContact CG-CH2 3.7Å; F407-W418 HydrophobicContact CG-CH2 3.7Å; F407-W418 AromaticContact CG-CZ2 3.21Å; F407-W418 HydrophobicContact CG-CZ2 3.21Å; F407-I419 CarbonylContact C-O 3.39Å; F407-I419 VanDerWaalsContact CA-O 3.28Å; F407-I419 WeakPolarHBondContact CA-O 3.18Å; F407-I419 WeakPolarHBondContact CB-O 3.33Å; F407-K420 HydrophobicContact CD1-CB 4.22Å; F407-K420 HydrophobicContact CE1-CB 4.13Å
408E95.2Very high92.6Very high3 Ų347 Ų471%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-147.1149.7177.657-169.9-149.100111.1L402 R410 I419 S421L402-E408 CarbonylContact O-C 3.48Å; L402-E408 VanDerWaalsContact O-CA 3.27Å; L402-E408 WeakPolarHBondContact O-CA 3.45Å; E408-R410 VanDerWaalsContact CD-NE 3.34Å; E408-R410 VanDerWaalsContact CD-NH2 3.31Å; E408-R410 HydrophobicContact CG-CG 4.49Å; E408-R410 IonicContact OE1-CZ 3.88Å; E408-R410 IonicContact OE1-NE 3.6Å; E408-R410 PolarHBondContact OE1-NE 3.33Å; E408-R410 IonicContact OE1-NH2 3.87Å; E408-R410 PolarHBondContact OE1-NH2 3.2Å; E408-R410 IonicContact OE2-NE 2.69Å; E408-R410 IonicContact OE2-NH2 2.72Å; E408-R410 PolarHBondContact OE2-NH2 3.29Å; E408-I419 HydrophobicContact CG-CD1 3.97Å; E408-I419 HydrophobicContact CG-CG1 3.54Å; E408-I419 PolarHBondContact N-O 2.9Å; E408-I419 PolarHBondContact O-N 3.26Å; E408-I419 WeakPolarHBondContact OE1-CD1 3.28Å; E408-S421 WeakPolarHBondContact OE2-CB 3.42Å; E408-S421 PolarHBondContact OE2-OG 3.09Å
409I96.4Very high93.1Very high0 Ų044.9 Ų44.90%024%0.244CC..EExtended strand (participates in β ladder)trans-107.1127.5172.7-64.5169.7000108.8W370 L371 I387 V391 C401 L402 L404 L416 W417 W418W370-I409 HydrophobicContact CH2-CG2 4.4Å; W370-I409 HydrophobicContact CZ3-CD1 4.32Å; L371-I409 HydrophobicContact CD1-CD1 4.08Å; L371-I409 HydrophobicContact CD2-CD1 3.79Å; L371-I409 HydrophobicContact CD2-CG1 4.47Å; I387-I409 HydrophobicContact CD1-CD1 3.34Å; I387-I409 HydrophobicContact CG1-CD1 3.67Å; I387-I409 HydrophobicContact CG2-CD1 4.4Å; I387-I409 HydrophobicContact CG2-CG2 4.11Å; V391-I409 HydrophobicContact CG1-CG2 4.33Å; C401-I409 WeakPolarHBondContact CA-O 2.91Å; L402-I409 PolarHBondContact N-O 2.78Å; L402-I409 PolarHBondContact O-N 2.85Å; L404-I409 HydrophobicContact CD1-CD1 3.63Å; L404-I409 HydrophobicContact CD1-CG1 4.26Å; I409-L416 HydrophobicContact CG2-CB 4.41Å; I409-L416 HydrophobicContact CG2-CD2 4.21Å; I409-W417 VanDerWaalsContact CA-O 3.24Å; I409-W417 WeakPolarHBondContact CA-O 3.15Å; I409-W418 HydrophobicContact CD1-CE3 3.98Å; I409-W418 HydrophobicContact CD1-CZ3 4.22Å; I409-W418 HydrophobicContact CG1-CE3 3.56Å; I409-W418 HydrophobicContact CG1-CZ3 4.05Å
410R95.4Very high93.5Very high47 Ų4748 Ų4818%0.17725%0.25CC..EExtended strand (participates in β ladder)trans-130.8158.8-179.3-62.5-167.8179.8-157.68.6111.8P400 C401 E408 L416 W417 I419 W498P400-R410 WeakPolarHBondContact O-CA 3.35Å; C401-R410 HydrophobicContact CB-CG 4.06Å; E408-R410 VanDerWaalsContact CD-NE 3.34Å; E408-R410 VanDerWaalsContact CD-NH2 3.31Å; E408-R410 HydrophobicContact CG-CG 4.49Å; E408-R410 IonicContact OE1-CZ 3.88Å; E408-R410 IonicContact OE1-NE 3.6Å; E408-R410 PolarHBondContact OE1-NE 3.33Å; E408-R410 IonicContact OE1-NH2 3.87Å; E408-R410 PolarHBondContact OE1-NH2 3.2Å; E408-R410 IonicContact OE2-NE 2.69Å; E408-R410 IonicContact OE2-NH2 2.72Å; E408-R410 PolarHBondContact OE2-NH2 3.29Å; R410-L416 WeakPolarHBondContact O-CA 3.46Å; R410-W417 PolarHBondContact N-O 2.78Å; R410-W417 VanDerWaalsContact N-O 3.09Å; R410-W417 PolarHBondContact O-N 3.31Å; R410-I419 HydrophobicContact CG-CD1 4.44Å; R410-W498 HydrophobicContact CB-CE3 3.93Å; R410-W498 HydrophobicContact CB-CH2 4.28Å; R410-W498 HydrophobicContact CB-CZ3 3.54Å; R410-W498 HydrophobicContact CG-CE3 4.25Å; R410-W498 HydrophobicContact CG-CZ3 4.36Å
411R95.7Very high93.6Very high46 Ų4648.9 Ų48.917%0.17426%0.256CS..EExtended strand (participates in β ladder)trans-101.3129.5172.6-175.6179.1167174.1-1.2111I352 V391 A392 A394 E396 P400 Q415I352-R411 HydrophobicContact CD1-CG 3.68Å; V391-R411 HydrophobicContact CG1-CB 4.02Å; V391-R411 WeakPolarHBondContact O-CD 3.31Å; A392-R411 PolarHBondContact O-NH1 3.33Å; A394-R411 PolarHBondContact O-NH1 2.97Å; E396-R411 HydrophobicContact CG-CG 4.03Å; E396-R411 IonicContact OE1-CZ 2.64Å; E396-R411 IonicContact OE1-NE 3.25Å; E396-R411 PolarHBondContact OE1-NE 3.5Å; E396-R411 IonicContact OE1-NH2 3.79Å; E396-R411 PolarHBondContact OE1-NH2 3.19Å; P400-R411 HydrophobicContact CG-CB 3.61Å; R411-Q415 WeakPolarHBondContact CA-O 3.48Å
412Y94.6Very high93.6Very high22 Ų2248.9 Ų48.99%0.08625%0.254CS..EExtended strand (participates in β ladder)trans-153.6133.4170.4-177.1-118.3000110.8S414 Q415 W417 G494 P496 P497 W498Y412-S414 PolarHBondContact O-N 2.72Å; Y412-Q415 PolarHBondContact N-O 2.69Å; Y412-Q415 WeakPolarHBondContact O-CB 3.24Å; Y412-Q415 PolarHBondContact O-N 2.86Å; Y412-Q415 VanDerWaalsContact O-N 3.12Å; Y412-W417 HydrophobicContact CD1-CZ2 4.31Å; Y412-W417 PolarHBondContact O-NE1 2.85Å; Y412-G494 WeakPolarHBondContact CE1-O 3.25Å; Y412-G494 WeakPolarHBondContact OH-CA 3.46Å; Y412-G494 PolarHBondContact OH-O 2.96Å; Y412-G494 VanDerWaalsContact OH-O 3.06Å; Y412-P496 HydrophobicContact CD1-CB 3.89Å; Y412-P496 HydrophobicContact CD1-CG 3.86Å; Y412-P496 HydrophobicContact CE1-CB 4.1Å; Y412-P496 HydrophobicContact CE1-CG 3.83Å; Y412-P496 HydrophobicContact CG-CB 4.34Å; Y412-P497 HydrophobicContact CD2-CG 4.24Å; Y412-W498 HydrophobicContact CG-CH2 4.38Å
413Q92.6Very high93.5Very high95 Ų9553.6 Ų53.644%0.44428%0.284SS..THydrogen-bonded Turntrans53.448.4-178.9-64.9-179.4-4.800113Q415Q413-Q415 WeakPolarHBondContact O-CG 3.46Å; Q413-Q415 PolarHBondContact O-N 2.86Å; Q413-Q415 VanDerWaalsContact O-N 3.15Å
414S93.5Very high93.5Very high50 Ų5047.1 Ų47.135%0.3527%0.269SS..THydrogen-bonded Turntrans55.726-177.1-60.40000115I352 E396 Y412I352-S414 WeakPolarHBondContact CB-O 3.38Å; I352-S414 WeakPolarHBondContact CG1-O 3.37Å; I352-S414 PolarHBondContact N-O 3.37Å; E396-S414 WeakPolarHBondContact OE1-CA 3.4Å; E396-S414 PolarHBondContact OE1-N 2.93Å; Y412-S414 PolarHBondContact O-N 2.72Å
415Q96.1Very high93.8Very high23 Ų2346 Ų4611%0.10726%0.263CS..EExtended strand (participates in β ladder)trans-127.9150179.1-64.8162.328.100111.3T349 L350 Q351 R411 Y412 Q413T349-Q415 PolarHBondContact OG1-OE1 2.94Å; L350-Q415 CarbonylContact O-C 3.49Å; L350-Q415 VanDerWaalsContact O-CA 3.24Å; L350-Q415 WeakPolarHBondContact O-CA 3.35Å; Q351-Q415 VanDerWaalsContact NE2-CD 3.32Å; R411-Q415 WeakPolarHBondContact CA-O 3.48Å; Y412-Q415 PolarHBondContact N-O 2.69Å; Y412-Q415 WeakPolarHBondContact O-CB 3.24Å; Y412-Q415 PolarHBondContact O-N 2.86Å; Y412-Q415 VanDerWaalsContact O-N 3.12Å; Q413-Q415 WeakPolarHBondContact O-CG 3.46Å; Q413-Q415 PolarHBondContact O-N 2.86Å; Q413-Q415 VanDerWaalsContact O-N 3.15Å
416L97.1Very high94.2Very high1 Ų145.1 Ų45.11%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-89.1135.1166.6-62.8177.1000110.2T349 L350 I352 W370 I387 V391 A392 I409 R410T349-L416 WeakPolarHBondContact CA-O 3.26Å; T349-L416 VanDerWaalsContact CB-O 3.31Å; T349-L416 WeakPolarHBondContact CB-O 3.24Å; L350-L416 HydrophobicContact CB-CB 4.28Å; L350-L416 HydrophobicContact CD2-CD1 4.47Å; L350-L416 PolarHBondContact N-O 2.89Å; L350-L416 PolarHBondContact O-N 3.18Å; I352-L416 HydrophobicContact CD1-CD2 4.15Å; I352-L416 HydrophobicContact CD1-CG 4.26Å; I352-L416 HydrophobicContact CG1-CD2 4.48Å; I352-L416 HydrophobicContact CG1-CG 4.07Å; W370-L416 HydrophobicContact CH2-CB 3.78Å; W370-L416 HydrophobicContact CZ2-CB 4.39Å; W370-L416 WeakPolarHBondContact CZ2-O 3.48Å; W370-L416 HydrophobicContact CZ3-CB 4.09Å; W370-L416 HydrophobicContact CZ3-CD1 4.49Å; I387-L416 HydrophobicContact CG2-CD1 3.84Å; V391-L416 HydrophobicContact CB-CD2 4.3Å; V391-L416 HydrophobicContact CG1-CD2 3.82Å; A392-L416 HydrophobicContact CB-CD1 4.37Å; A392-L416 HydrophobicContact CB-CD2 4.07Å; I409-L416 HydrophobicContact CG2-CB 4.41Å; I409-L416 HydrophobicContact CG2-CD2 4.21Å; R410-L416 WeakPolarHBondContact O-CA 3.46Å
417W96.9Very high94.4Very high51 Ų5148.5 Ų48.519%0.19325%0.25CS..EExtended strand (participates in β ladder)trans-119130.8-179.1-68.371.4000109.4T349 I409 R410 Y412 I419 W498T349-W417 HydrophobicContact CG2-CD2 3.42Å; T349-W417 VanDerWaalsContact CG2-CD2 3.42Å; T349-W417 HydrophobicContact CG2-CE3 3.57Å; T349-W417 HydrophobicContact CG2-CG 4Å; T349-W417 HydrophobicContact CG2-CH2 3.9Å; T349-W417 HydrophobicContact CG2-CZ2 3.76Å; T349-W417 HydrophobicContact CG2-CZ3 3.8Å; I409-W417 VanDerWaalsContact CA-O 3.24Å; I409-W417 WeakPolarHBondContact CA-O 3.15Å; R410-W417 PolarHBondContact N-O 2.78Å; R410-W417 VanDerWaalsContact N-O 3.09Å; R410-W417 PolarHBondContact O-N 3.31Å; Y412-W417 HydrophobicContact CD1-CZ2 4.31Å; Y412-W417 PolarHBondContact O-NE1 2.85Å; W417-I419 HydrophobicContact CB-CG2 4.29Å; W417-W498 HydrophobicContact CB-CH2 3.69Å; W417-W498 HydrophobicContact CB-CZ2 3.86Å; W417-W498 AromaticContact CD1-CH2 3.66Å; W417-W498 AromaticContact CD2-CH2 3.72Å; W417-W498 HydrophobicContact CD2-CH2 3.72Å; W417-W498 AromaticContact CD2-CZ2 3.54Å; W417-W498 HydrophobicContact CD2-CZ2 3.54Å; W417-W498 HydrophobicContact CE3-CH2 4.36Å; W417-W498 AromaticContact CE3-CZ2 3.71Å; W417-W498 HydrophobicContact CE3-CZ2 3.71Å; W417-W498 AromaticContact CG-CH2 3.4Å; W417-W498 HydrophobicContact CG-CH2 3.4Å; W417-W498 AromaticContact CG-CZ2 3.64Å; W417-W498 HydrophobicContact CG-CZ2 3.64Å; W417-W498 HydrophobicContact CZ3-CZ2 4.45Å
418W96.3Very high94.5Very high28 Ų2847.4 Ų47.411%0.10625%0.249CC..EExtended strand (participates in β ladder)trans-99.6116.2168.4172-102.7000108.5W370 L371 Q374 A376 P377 L404 F407 I409W370-W418 HydrophobicContact CH2-CB 3.97Å; W370-W418 HydrophobicContact CZ2-CB 3.86Å; L371-W418 HydrophobicContact CD2-CB 4.39Å; L371-W418 HydrophobicContact CD2-CD2 3.94Å; L371-W418 HydrophobicContact CD2-CE3 3.55Å; L371-W418 HydrophobicContact CD2-CG 4.31Å; L371-W418 HydrophobicContact CD2-CZ3 4.1Å; Q374-W418 HydrophobicContact CB-CG 4.14Å; Q374-W418 HydrophobicContact CG-CB 4.28Å; Q374-W418 HydrophobicContact CG-CG 4.4Å; A376-W418 HydrophobicContact CB-CD2 4.15Å; A376-W418 HydrophobicContact CB-CE3 4.46Å; A376-W418 HydrophobicContact CB-CH2 3.75Å; A376-W418 HydrophobicContact CB-CZ2 3.37Å; A376-W418 HydrophobicContact CB-CZ3 4.3Å; P377-W418 HydrophobicContact CG-CH2 4.48Å; L404-W418 HydrophobicContact CB-CH2 4.37Å; L404-W418 HydrophobicContact CB-CZ3 4.16Å; L404-W418 HydrophobicContact CD1-CZ3 3.98Å; F407-W418 HydrophobicContact CB-CD2 4.33Å; F407-W418 HydrophobicContact CB-CE3 4.24Å; F407-W418 HydrophobicContact CB-CH2 3.21Å; F407-W418 HydrophobicContact CB-CZ2 3.27Å; F407-W418 HydrophobicContact CB-CZ3 3.72Å; F407-W418 HydrophobicContact CD1-CD2 4.47Å; F407-W418 AromaticContact CD1-CE2 3.59Å; F407-W418 HydrophobicContact CD1-CH2 4.4Å; F407-W418 AromaticContact CD1-CZ2 3.55Å; F407-W418 HydrophobicContact CD1-CZ2 3.55Å; F407-W418 AromaticContact CD1-NE1 3.64Å; F407-W418 HydrophobicContact CD2-CH2 4.13Å; F407-W418 AromaticContact CD2-CZ2 3.65Å; F407-W418 HydrophobicContact CD2-CZ2 3.65Å; F407-W418 HydrophobicContact CE1-CZ2 4.27Å; F407-W418 AromaticContact CE1-NE1 3.95Å; F407-W418 HydrophobicContact CE2-CZ2 4.35Å; F407-W418 AromaticContact CG-CE2 3.74Å; F407-W418 AromaticContact CG-CH2 3.7Å; F407-W418 HydrophobicContact CG-CH2 3.7Å; F407-W418 AromaticContact CG-CZ2 3.21Å; F407-W418 HydrophobicContact CG-CZ2 3.21Å; I409-W418 HydrophobicContact CD1-CE3 3.98Å; I409-W418 HydrophobicContact CD1-CZ3 4.22Å; I409-W418 HydrophobicContact CG1-CE3 3.56Å; I409-W418 HydrophobicContact CG1-CZ3 4.05Å
419I94Very high94.6Very high28 Ų2852 Ų5214%0.14427%0.272CS..EExtended strand (participates in β ladder)trans-137.8151.4-174.561.5177.5000111.5F407 E408 R410 W417 S421 W498F407-I419 CarbonylContact C-O 3.39Å; F407-I419 VanDerWaalsContact CA-O 3.28Å; F407-I419 WeakPolarHBondContact CA-O 3.18Å; F407-I419 WeakPolarHBondContact CB-O 3.33Å; E408-I419 HydrophobicContact CG-CD1 3.97Å; E408-I419 HydrophobicContact CG-CG1 3.54Å; E408-I419 PolarHBondContact N-O 2.9Å; E408-I419 PolarHBondContact O-N 3.26Å; E408-I419 WeakPolarHBondContact OE1-CD1 3.28Å; R410-I419 HydrophobicContact CG-CD1 4.44Å; W417-I419 HydrophobicContact CB-CG2 4.29Å; I419-S421 PolarHBondContact O-N 2.96Å; I419-W498 HydrophobicContact CD1-CB 3.96Å; I419-W498 VanDerWaalsContact CD1-CD1 3.47Å; I419-W498 HydrophobicContact CD1-CD2 3.47Å; I419-W498 VanDerWaalsContact CD1-CD2 3.47Å; I419-W498 HydrophobicContact CD1-CE3 4.15Å; I419-W498 HydrophobicContact CD1-CG 3.37Å; I419-W498 HydrophobicContact CD1-CZ2 4.35Å; I419-W498 HydrophobicContact CG2-CZ2 4.41Å
420K92.3Very high94.6Very high124 Ų12453.1 Ų53.154%0.53928%0.28SS..EExtended strand (participates in β ladder)trans-67128.2167.9-172172.8-177.6175.40108.5F407 V422F407-K420 HydrophobicContact CD1-CB 4.22Å; F407-K420 HydrophobicContact CE1-CB 4.13Å; K420-V422 PolarHBondContact O-N 2.89Å
421S92.2Very high94.7Very high30 Ų3055.1 Ų55.121%0.2130%0.299CS..  trans-69.4129.4179.2-164.20000109A406 E408 I419A406-S421 WeakPolarHBondContact O-CB 3.18Å; A406-S421 PolarHBondContact O-N 3.4Å; E408-S421 WeakPolarHBondContact OE2-CB 3.42Å; E408-S421 PolarHBondContact OE2-OG 3.09Å; I419-S421 PolarHBondContact O-N 2.96Å
422V92Very high94.7Very high58 Ų5853.3 Ų53.335%0.35229%0.292SS..  trans-127.8134.3177.2-177.60000108.4K420 G424 L445 T502K420-V422 PolarHBondContact O-N 2.89Å; V422-G424 PolarHBondContact O-N 2.89Å; V422-L445 HydrophobicContact CG1-CD2 3.91Å; V422-T502 HydrophobicContact CB-CG2 4.47Å; V422-T502 HydrophobicContact CG1-CG2 3.96Å
423T91.6Very high94.4Very high108 Ų10860.9 Ų60.966%0.66333%0.328SS*.  trans-71127177.4-49.70000110.1Q425T423-Q425 PolarHBondContact O-NE2 3.28Å
424G92.7Very high94.3Very high31 Ų3160.6 Ų60.632%0.3233%0.333SS..  trans-56.3144.6176.700000112.9V422 D501V422-G424 PolarHBondContact O-N 2.89Å; G424-D501 WeakPolarHBondContact CA-OD2 3.22Å
425Q96Very high94.1Very high19 Ų1961.6 Ų61.69%0.08933%0.329CS..  trans-115.619.9-174.3-61.8-59.3-48.600112.6T423 E427 T428 P442 L445 F469 D501T423-Q425 PolarHBondContact O-NE2 3.28Å; Q425-E427 PolarHBondContact O-N 3.43Å; Q425-T428 WeakPolarHBondContact O-CB 3.47Å; Q425-T428 PolarHBondContact O-N 3.02Å; Q425-T428 PolarHBondContact OE1-OG1 3.29Å; Q425-P442 HydrophobicContact CG-CG 4.08Å; Q425-L445 HydrophobicContact CG-CD1 3.87Å; Q425-F469 HydrophobicContact CB-CB 4.08Å; Q425-F469 HydrophobicContact CB-CD1 4.04Å; Q425-F469 HydrophobicContact CB-CD2 3.36Å; Q425-F469 HydrophobicContact CB-CE1 4.34Å; Q425-F469 HydrophobicContact CB-CE2 3.72Å; Q425-F469 HydrophobicContact CB-CG 3.54Å; Q425-F469 HydrophobicContact CB-CZ 4.18Å; Q425-F469 HydrophobicContact CG-CD2 4.43Å; Q425-F469 HydrophobicContact CG-CE2 4.34Å; Q425-F469 HydrophobicContact CG-CZ 4.47Å; Q425-F469 WeakPolarHBondContact O-CB 3.47Å; Q425-F469 WeakPolarHBondContact O-CD2 3.43Å; Q425-D501 WeakPolarHBondContact CA-O 3.46Å; Q425-D501 WeakPolarHBondContact CB-O 3.46Å; Q425-D501 PolarHBondContact N-O 3.48Å
426S93.7Very high93.6Very high47 Ų4766.6 Ų66.633%0.32936%0.356SS..THydrogen-bonded Turntrans-57.7-28.6-169.164.70000115K470S426-K470 VanDerWaalsContact O-CB 3.24Å; S426-K470 WeakPolarHBondContact O-CB 3.37Å; S426-K470 WeakPolarHBondContact O-CD 3.3Å
427E94.8Very high93.4Very high138 Ų13872.4 Ų72.465%0.64538%0.383SS*.THydrogen-bonded Turntrans-99.50.1178.4-52.8-51.4133.500112.9Q425 K470Q425-E427 PolarHBondContact O-N 3.43Å; E427-K470 IonicContact OE1-NZ 3.15Å; E427-K470 PolarHBondContact OE1-NZ 3.43Å; E427-K470 IonicContact OE2-NZ 2.98Å; E427-K470 PolarHBondContact OE2-NZ 2.91Å
428T96.1Very high93.4Very high46 Ų4673 Ų7328%0.28239%0.394SS..  trans-83.7129.7179.6-51.80000110.6Q425 V430 P442Q425-T428 WeakPolarHBondContact O-CB 3.47Å; Q425-T428 PolarHBondContact O-N 3.02Å; Q425-T428 PolarHBondContact OE1-OG1 3.29Å; T428-V430 HydrophobicContact CG2-CG2 4Å; T428-P442 HydrophobicContact CG2-CG 4.04Å
429I96.8Very high93.4Very high99 Ų9972.8 Ų72.851%0.50839%0.394SS..EExtended strand (participates in β ladder)trans-120.8119.1171.5-59.7178.4000107.2P431 R468I429-P431 WeakPolarHBondContact O-CD 3.17Å; I429-R468 HydrophobicContact CB-CG 4.49Å; I429-R468 HydrophobicContact CG1-CG 4.13Å; I429-R468 HydrophobicContact CG2-CG 4.17Å
430V96.9Very high93.5Very high25 Ų2578 Ų7815%0.15242%0.418CS..EExtended strand (participates in β ladder)trans-106.2104.6178.2-166.60000108.4T428 L439 P442 S466 V467T428-V430 HydrophobicContact CG2-CG2 4Å; V430-L439 HydrophobicContact CB-CD2 4.19Å; V430-L439 HydrophobicContact CG1-CD1 3.87Å; V430-L439 HydrophobicContact CG1-CD2 3.76Å; V430-L439 HydrophobicContact CG1-CG 4.09Å; V430-P442 HydrophobicContact CG2-CG 4.38Å; V430-S466 WeakPolarHBondContact O-CA 3.46Å; V430-V467 HydrophobicContact CB-CB 4.48Å; V430-V467 PolarHBondContact N-O 3.41Å; V430-V467 PolarHBondContact O-N 3.27Å
431P96.8Very high93.7Very high89 Ų8972.7 Ų72.758%0.57840%0.395SS*.EExtended strand (participates in β ladder)trans-67.4138.2176.927.9-33.2000110.6I429I429-P431 WeakPolarHBondContact O-CD 3.17Å
432W96.1Very high93.8Very high8 Ų872.9 Ų72.93%0.0340%0.396CS..  trans-120.472.3-177-160.50.2000110.7T434 W435 Q437 L439 V448 L450 V465 V467 L506 F534W432-T434 VanDerWaalsContact C-N 3.29Å; W432-T434 PolarHBondContact NE1-O 3.03Å; W432-T434 PolarHBondContact O-N 3.22Å; W432-W435 HydrophobicContact CD2-CB 4.15Å; W432-W435 HydrophobicContact CG-CB 4.24Å; W432-Q437 WeakPolarHBondContact CZ2-O 3.37Å; W432-Q437 PolarHBondContact NE1-O 3.19Å; W432-L439 HydrophobicContact CB-CD2 4.06Å; W432-L439 HydrophobicContact CD2-CB 3.8Å; W432-L439 HydrophobicContact CD2-CD2 3.93Å; W432-L439 HydrophobicContact CD2-CG 4.41Å; W432-L439 VanDerWaalsContact CE2-CB 3.47Å; W432-L439 HydrophobicContact CE3-CB 4.45Å; W432-L439 HydrophobicContact CE3-CD2 4.19Å; W432-L439 HydrophobicContact CG-CB 4.07Å; W432-L439 HydrophobicContact CG-CD1 4.28Å; W432-L439 HydrophobicContact CG-CD2 3.9Å; W432-L439 HydrophobicContact CG-CG 4.32Å; W432-L439 HydrophobicContact CH2-CB 4.49Å; W432-L439 HydrophobicContact CZ2-CB 3.86Å; W432-V448 HydrophobicContact CH2-CB 4.31Å; W432-V448 HydrophobicContact CH2-CG2 3.86Å; W432-V448 WeakPolarHBondContact CH2-O 3.19Å; W432-V448 HydrophobicContact CZ2-CG2 4.47Å; W432-V448 VanDerWaalsContact CZ2-O 3.3Å; W432-V448 WeakPolarHBondContact CZ2-O 3.42Å; W432-V448 HydrophobicContact CZ3-CG2 3.91Å; W432-L450 HydrophobicContact CH2-CG 4.17Å; W432-L450 HydrophobicContact CZ3-CG 4.28Å; W432-V465 HydrophobicContact CB-CB 4.33Å; W432-V465 HydrophobicContact CB-CG1 4.13Å; W432-V465 HydrophobicContact CE3-CG1 4.03Å; W432-V465 PolarHBondContact N-O 3.37Å; W432-V467 HydrophobicContact CE3-CG2 3.82Å; W432-V467 HydrophobicContact CZ3-CG2 4.14Å; W432-L506 HydrophobicContact CE3-CD1 4.28Å; W432-L506 HydrophobicContact CZ3-CD1 4.11Å; W432-F534 HydrophobicContact CH2-CE2 4.41Å; W432-F534 HydrophobicContact CZ3-CD2 4.46Å; W432-F534 AromaticContact CZ3-CE2 3.93Å; W432-F534 HydrophobicContact CZ3-CE2 3.93Å
433Q89.1Confident93.7Very high180 Ų18073 Ų7384%0.84140%0.403SS*.THydrogen-bonded Turntrans-61.7-37-175.2-66.5-177.6-12.200112.6
434T89.3Confident93.6Very high89 Ų8970.7 Ų70.755%0.54640%0.401SS..THydrogen-bonded Turntrans-112.271.5178.7-46.80000110.1W432 L436 Q437W432-T434 VanDerWaalsContact C-N 3.29Å; W432-T434 PolarHBondContact NE1-O 3.03Å; W432-T434 PolarHBondContact O-N 3.22Å; T434-L436 PolarHBondContact O-N 3.47Å; T434-L436 VanDerWaalsContact O-N 3.08Å; T434-Q437 HydrophobicContact CG2-CB 4.35Å; T434-Q437 HydrophobicContact CG2-CG 3.93Å; T434-Q437 PolarHBondContact O-N 2.99Å
435W88.6Confident93.7Very high72 Ų7269.9 Ų69.927%0.27339%0.389SS..THydrogen-bonded Turntrans-63.4-13.2-177.760-99.6000114.9W432 Q437 L450 P459 V465W432-W435 HydrophobicContact CD2-CB 4.15Å; W432-W435 HydrophobicContact CG-CB 4.24Å; W435-Q437 PolarHBondContact O-N 3.46Å; W435-L450 HydrophobicContact CB-CD1 4.41Å; W435-L450 HydrophobicContact CE3-CD1 4.12Å; W435-P459 HydrophobicContact CD2-CG 3.54Å; W435-P459 HydrophobicContact CE3-CG 4.03Å; W435-P459 HydrophobicContact CG-CG 3.91Å; W435-P459 HydrophobicContact CH2-CG 4.23Å; W435-P459 HydrophobicContact CZ2-CG 3.76Å; W435-P459 HydrophobicContact CZ3-CG 4.35Å; W435-V465 HydrophobicContact CB-CB 4.37Å; W435-V465 HydrophobicContact CB-CG1 4.26Å; W435-V465 HydrophobicContact CB-CG2 4.33Å; W435-V465 HydrophobicContact CG-CG2 4.14Å
436L87.5Confident93.6Very high127 Ų12769.1 Ų69.167%0.66539%0.386SS*.THydrogen-bonded Turntrans-71.1-14170.8-73.3164.5000113.4T434T434-L436 PolarHBondContact O-N 3.47Å; T434-L436 VanDerWaalsContact O-N 3.08Å
437Q92.7Very high93.8Very high124 Ų12467.6 Ų67.658%0.57938%0.375SS*.SBendtrans-112.3148.6175.6-64.5-62.3-55.300109.8W432 T434 W435W432-Q437 WeakPolarHBondContact CZ2-O 3.37Å; W432-Q437 PolarHBondContact NE1-O 3.19Å; T434-Q437 HydrophobicContact CG2-CB 4.35Å; T434-Q437 HydrophobicContact CG2-CG 3.93Å; T434-Q437 PolarHBondContact O-N 2.99Å; W435-Q437 PolarHBondContact O-N 3.46Å
438P95.6Very high93.9Very high64 Ų6461 Ų6142%0.41635%0.345SS..  trans-54.5142.1173.5-24.834.1000112.5V448 Q449P438-V448 CarbonylContact C-O 3.49Å; P438-V448 VanDerWaalsContact CA-O 3.3Å; P438-V448 WeakPolarHBondContact CA-O 3.3Å; P438-Q449 HydrophobicContact CB-CB 4.32Å; P438-Q449 HydrophobicContact CG-CB 4.26Å
439L96.8Very high93.9Very high23 Ų2361.1 Ų61.112%0.1234%0.342CS..EExtended strand (participates in β ladder)trans-104.3122.6174.2-178.871000110.2V430 W432 S447 V448 V467V430-L439 HydrophobicContact CB-CD2 4.19Å; V430-L439 HydrophobicContact CG1-CD1 3.87Å; V430-L439 HydrophobicContact CG1-CD2 3.76Å; V430-L439 HydrophobicContact CG1-CG 4.09Å; W432-L439 HydrophobicContact CB-CD2 4.06Å; W432-L439 HydrophobicContact CD2-CB 3.8Å; W432-L439 HydrophobicContact CD2-CD2 3.93Å; W432-L439 HydrophobicContact CD2-CG 4.41Å; W432-L439 VanDerWaalsContact CE2-CB 3.47Å; W432-L439 HydrophobicContact CE3-CB 4.45Å; W432-L439 HydrophobicContact CE3-CD2 4.19Å; W432-L439 HydrophobicContact CG-CB 4.07Å; W432-L439 HydrophobicContact CG-CD1 4.28Å; W432-L439 HydrophobicContact CG-CD2 3.9Å; W432-L439 HydrophobicContact CG-CG 4.32Å; W432-L439 HydrophobicContact CH2-CB 4.49Å; W432-L439 HydrophobicContact CZ2-CB 3.86Å; L439-S447 CarbonylContact O-C 3.41Å; L439-S447 WeakPolarHBondContact O-CA 3.42Å; L439-V448 HydrophobicContact CB-CG2 3.94Å; L439-V448 HydrophobicContact CD2-CG2 4.27Å; L439-V448 PolarHBondContact N-O 3.24Å; L439-V448 PolarHBondContact O-N 2.64Å; L439-V467 HydrophobicContact CD2-CB 4.02Å; L439-V467 HydrophobicContact CD2-CG2 3.62Å
440E96.2Very high93.9Very high137 Ų13757.4 Ų57.464%0.6432%0.323SS*.EExtended strand (participates in β ladder)trans-70.8132.4168.8-72.9-61.8148.300110.9
441L96.3Very high93.7Very high12 Ų1258.6 Ų58.66%0.06333%0.33CS..PPolyproline II helixtrans-95.8153.4-179.3-62.8175.5000111.7L445 G446 V448 V467 F469 P504L441-L445 HydrophobicContact CB-CB 3.78Å; L441-L445 HydrophobicContact CD1-CB 3.99Å; L441-G446 VanDerWaalsContact CB-O 3.23Å; L441-G446 WeakPolarHBondContact CB-O 3.25Å; L441-G446 PolarHBondContact N-O 2.66Å; L441-V448 HydrophobicContact CD1-CG1 3.79Å; L441-V448 HydrophobicContact CD2-CG1 4.48Å; L441-V448 HydrophobicContact CD2-CG2 4.03Å; L441-V448 HydrophobicContact CG-CG1 4.35Å; L441-V448 HydrophobicContact CG-CG2 4.42Å; L441-V467 HydrophobicContact CD2-CB 4.46Å; L441-V467 HydrophobicContact CD2-CG1 3.85Å; L441-F469 HydrophobicContact CD2-CZ 4.33Å; L441-P504 HydrophobicContact CD1-CB 4.37Å; L441-P504 HydrophobicContact CD1-CG 3.48Å; L441-P504 VanDerWaalsContact CD1-CG 3.48Å
442P93.9Very high93.5Very high34 Ų3459.1 Ų59.122%0.22134%0.342CS..G310 helixtrans-64.6164.6177.229.8-39.5000112.6Q425 T428 V430 G444 L445 F469Q425-P442 HydrophobicContact CG-CG 4.08Å; T428-P442 HydrophobicContact CG2-CG 4.04Å; V430-P442 HydrophobicContact CG2-CG 4.38Å; P442-G444 PolarHBondContact O-N 3.45Å; P442-L445 WeakPolarHBondContact O-CB 3.39Å; P442-L445 VanDerWaalsContact O-CG 3.31Å; P442-L445 WeakPolarHBondContact O-CG 3.49Å; P442-L445 PolarHBondContact O-N 2.89Å; P442-L445 VanDerWaalsContact O-N 3.12Å; P442-F469 HydrophobicContact CG-CE2 4.18Å; P442-F469 HydrophobicContact CG-CZ 4.3Å
443A90.8Very high93Very high61 Ų6161.1 Ų61.150%0.50437%0.366SS..G310 helixtrans55.225.7171.500000115.4L445A443-L445 VanDerWaalsContact C-N 3.29Å; A443-L445 PolarHBondContact O-N 3.07Å
444G90Very high93Very high60 Ų6054.1 Ų54.162%0.61934%0.341SS*.G310 helixtrans67.928.418000000113.4P442 G446P442-G444 PolarHBondContact O-N 3.45Å; G444-G446 PolarHBondContact O-N 2.89Å
445L93.8Very high93.2Very high14 Ų1456 Ų567%0.07335%0.349CS..  trans-70.2-5.5174.4-70.4173.7000112.9V422 Q425 L441 P442 A443 F469 T502 W536V422-L445 HydrophobicContact CG1-CD2 3.91Å; Q425-L445 HydrophobicContact CG-CD1 3.87Å; L441-L445 HydrophobicContact CB-CB 3.78Å; L441-L445 HydrophobicContact CD1-CB 3.99Å; P442-L445 WeakPolarHBondContact O-CB 3.39Å; P442-L445 VanDerWaalsContact O-CG 3.31Å; P442-L445 WeakPolarHBondContact O-CG 3.49Å; P442-L445 PolarHBondContact O-N 2.89Å; P442-L445 VanDerWaalsContact O-N 3.12Å; A443-L445 VanDerWaalsContact C-N 3.29Å; A443-L445 PolarHBondContact O-N 3.07Å; L445-F469 HydrophobicContact CD1-CE1 3.71Å; L445-F469 HydrophobicContact CD1-CZ 3.87Å; L445-T502 HydrophobicContact CD2-CG2 4.32Å; L445-W536 HydrophobicContact CD2-CZ2 4.43Å; L445-W536 PolarHBondContact O-NE1 2.92Å
446G94.9Very high93.6Very high3 Ų353 Ų533%0.03134%0.338CS..  trans91.7-147.7-177.600000112L441 G444 Q537 T539L441-G446 VanDerWaalsContact CB-O 3.23Å; L441-G446 WeakPolarHBondContact CB-O 3.25Å; L441-G446 PolarHBondContact N-O 2.66Å; G444-G446 PolarHBondContact O-N 2.89Å; G446-Q537 CarbonylContact C-O 3.58Å; G446-Q537 VanDerWaalsContact CA-O 3.27Å; G446-Q537 WeakPolarHBondContact CA-O 3.32Å; G446-T539 WeakPolarHBondContact CA-OG1 3.24Å
447S96.6Very high93.9Very high14 Ų1448.9 Ų48.910%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-128.1156.6-176.667.20000112.5L439 Q537L439-S447 CarbonylContact O-C 3.41Å; L439-S447 WeakPolarHBondContact O-CA 3.42Å; S447-Q537 PolarHBondContact N-O 3.23Å; S447-Q537 PolarHBondContact O-N 2.96Å
448V97.3Very high94Very high0 Ų045.6 Ų45.60%030%0.303CS..EExtended strand (participates in β ladder)trans-125.2150.3173.6-68.70000111.3W432 P438 L439 L441 V467 P504 F534 V535 W536W432-V448 HydrophobicContact CH2-CB 4.31Å; W432-V448 HydrophobicContact CH2-CG2 3.86Å; W432-V448 WeakPolarHBondContact CH2-O 3.19Å; W432-V448 HydrophobicContact CZ2-CG2 4.47Å; W432-V448 VanDerWaalsContact CZ2-O 3.3Å; W432-V448 WeakPolarHBondContact CZ2-O 3.42Å; W432-V448 HydrophobicContact CZ3-CG2 3.91Å; P438-V448 CarbonylContact C-O 3.49Å; P438-V448 VanDerWaalsContact CA-O 3.3Å; P438-V448 WeakPolarHBondContact CA-O 3.3Å; L439-V448 HydrophobicContact CB-CG2 3.94Å; L439-V448 HydrophobicContact CD2-CG2 4.27Å; L439-V448 PolarHBondContact N-O 3.24Å; L439-V448 PolarHBondContact O-N 2.64Å; L441-V448 HydrophobicContact CD1-CG1 3.79Å; L441-V448 HydrophobicContact CD2-CG1 4.48Å; L441-V448 HydrophobicContact CD2-CG2 4.03Å; L441-V448 HydrophobicContact CG-CG1 4.35Å; L441-V448 HydrophobicContact CG-CG2 4.42Å; V448-V467 HydrophobicContact CG2-CG2 4.03Å; V448-P504 HydrophobicContact CG1-CB 4Å; V448-P504 HydrophobicContact CG1-CG 3.93Å; V448-F534 HydrophobicContact CB-CD2 4.46Å; V448-F534 HydrophobicContact CB-CE2 3.62Å; V448-F534 HydrophobicContact CB-CZ 4.19Å; V448-F534 HydrophobicContact CG1-CE2 3.96Å; V448-F534 HydrophobicContact CG1-CZ 4.05Å; V448-F534 HydrophobicContact CG2-CE2 3.94Å; V448-F534 HydrophobicContact CG2-CZ 4.4Å; V448-V535 VanDerWaalsContact CA-O 3.29Å; V448-V535 WeakPolarHBondContact CA-O 3.47Å; V448-W536 HydrophobicContact CG1-CB 4.01Å; V448-W536 HydrophobicContact CG1-CG 4.14Å
449Q96.9Very high93.9Very high49 Ų4943 Ų4323%0.22929%0.286CS..EExtended strand (participates in β ladder)trans-146.7152.6177.860178.74.200111.7P438 T451 V535P438-Q449 HydrophobicContact CB-CB 4.32Å; P438-Q449 HydrophobicContact CG-CB 4.26Å; Q449-T451 HydrophobicContact CG-CG2 4.06Å; Q449-V535 HydrophobicContact CG-CB 4.2Å; Q449-V535 PolarHBondContact N-O 3.38Å; Q449-V535 PolarHBondContact O-N 3.37Å
450L95.6Very high93.6Very high21 Ų2148.8 Ų48.811%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-98.6113168.1-64.6-179.8000108.9W432 W435 P459 L506 V532 S533 F534W432-L450 HydrophobicContact CH2-CG 4.17Å; W432-L450 HydrophobicContact CZ3-CG 4.28Å; W435-L450 HydrophobicContact CB-CD1 4.41Å; W435-L450 HydrophobicContact CE3-CD1 4.12Å; L450-P459 HydrophobicContact CD1-CG 4.45Å; L450-L506 HydrophobicContact CD2-CD2 3.83Å; L450-V532 HydrophobicContact CB-CB 4.47Å; L450-V532 HydrophobicContact CD2-CG2 4.16Å; L450-S533 WeakPolarHBondContact CA-O 3.28Å; L450-F534 HydrophobicContact CD2-CB 3.95Å; L450-F534 HydrophobicContact CD2-CD2 3.84Å; L450-F534 HydrophobicContact CD2-CG 4.28Å
451T93.7Very high93.1Very high49 Ų4948 Ų4830%0.30132%0.322SS..EExtended strand (participates in β ladder)trans-102145.1176.358.60000110.4Q449 V532 S533 V535Q449-T451 HydrophobicContact CG-CG2 4.06Å; T451-V532 CarbonylContact O-C 3.58Å; T451-V532 WeakPolarHBondContact O-CA 3.31Å; T451-V532 WeakPolarHBondContact O-CB 3.42Å; T451-S533 PolarHBondContact N-O 3.4Å; T451-S533 PolarHBondContact O-N 3.26Å; T451-V535 HydrophobicContact CG2-CG2 4.44Å
452A91.2Very high92.8Very high100 Ų10054 Ų5483%0.82636%0.355SS*.EExtended strand (participates in β ladder)trans-61.3142.2173.900000111.2
453G85.7Confident92.8Very high51 Ų5154.2 Ų54.253%0.52635%0.353SS..EExtended strand (participates in β ladder)trans87.6105.9-17600000111.9G531 S533G453-G531 CarbonylContact C-O 3.34Å; G453-G531 WeakPolarHBondContact CA-O 3.42Å; G453-G531 PolarHBondContact N-O 2.98Å; G453-S533 WeakPolarHBondContact O-CB 3.3Å
454G90.4Very high93Very high32 Ų3254.8 Ų54.833%0.3336%0.357SS..EExtended strand (participates in β ladder)trans167.4-179.317500000111.7G531 V532G454-G531 PolarHBondContact N-O 3.23Å; G454-G531 CarbonylContact O-C 3.6Å; G454-G531 WeakPolarHBondContact O-CA 3.5Å; G454-V532 CarbonylContact C-O 3.54Å; G454-V532 WeakPolarHBondContact CA-O 3.33Å
455D92.7Very high93.3Very high130 Ų13052.4 Ų52.470%0.69533%0.331SS*.EExtended strand (participates in β ladder)trans-92.44.4-174.3-59.1-47.3000113.7V525 A526D455-V525 CarbonylContact O-C 3.57Å; D455-V525 WeakPolarHBondContact O-CA 3.29Å; D455-A526 PolarHBondContact O-N 2.98Å
456I96.1Very high93.5Very high9 Ų952.1 Ų52.15%0.04633%0.33CS..EExtended strand (participates in β ladder)trans-96.1134.8-178.2-59.5169.2000109.7L506 I513 A514 V520 G524 G531 V532 F534I456-L506 HydrophobicContact CG2-CD2 4.37Å; I456-I513 HydrophobicContact CG2-CG2 3.34Å; I456-A514 HydrophobicContact CD1-CB 3.57Å; I456-A514 HydrophobicContact CG1-CB 4.28Å; I456-V520 HydrophobicContact CD1-CG2 4.12Å; I456-V520 HydrophobicContact CG1-CG1 3.98Å; I456-V520 HydrophobicContact CG1-CG2 3.75Å; I456-G524 CarbonylContact C-O 3.46Å; I456-G524 VanDerWaalsContact CA-O 3.25Å; I456-G524 WeakPolarHBondContact CA-O 3.35Å; I456-G531 CarbonylContact O-C 3.6Å; I456-G531 WeakPolarHBondContact O-CA 3.37Å; I456-V532 HydrophobicContact CB-CG2 4.1Å; I456-V532 VanDerWaalsContact CB-O 3.3Å; I456-V532 WeakPolarHBondContact CB-O 2.98Å; I456-V532 HydrophobicContact CG2-CG2 4.15Å; I456-V532 PolarHBondContact N-O 2.65Å; I456-V532 VanDerWaalsContact N-O 3.13Å; I456-V532 WeakPolarHBondContact O-CG2 3.17Å; I456-V532 PolarHBondContact O-N 3.18Å; I456-F534 HydrophobicContact CD1-CB 3.57Å
457R95.4Very high93.7Very high40 Ų4052 Ų5215%0.15133%0.329CS..PPolyproline II helixtrans-63.6137.6173.973.6-176.8-179.385.1-8.9110.8E463 Y508 E523 G524R457-E463 IonicContact CZ-OE1 3.68Å; R457-E463 IonicContact CZ-OE2 2.63Å; R457-E463 IonicContact NH1-OE1 3.57Å; R457-E463 PolarHBondContact NH1-OE1 3.39Å; R457-E463 VanDerWaalsContact NH1-OE1 3.15Å; R457-E463 IonicContact NH1-OE2 3.43Å; R457-E463 PolarHBondContact NH1-OE2 3.46Å; R457-E463 IonicContact NH2-OE1 2.76Å; R457-E463 PolarHBondContact NH2-OE1 2.85Å; R457-E463 IonicContact NH2-OE2 3.9Å; R457-Y508 HydrophobicContact CG-CE2 4.02Å; R457-Y508 VanDerWaalsContact O-CE2 3.29Å; R457-Y508 WeakPolarHBondContact O-CE2 3.47Å; R457-Y508 PolarHBondContact O-OH 3.2Å; R457-E523 WeakPolarHBondContact CD-O 3.38Å; R457-E523 PolarHBondContact NE-O 2.77Å; R457-G524 PolarHBondContact N-O 3.32Å
458P93.4Very high93.7Very high55 Ų5553 Ų5336%0.35733%0.331SS..PPolyproline II helixtrans-59.5150.2168.7-19.730.9000111N530 V532P458-N530 VanDerWaalsContact CG-O 3.28Å; P458-N530 WeakPolarHBondContact CG-O 3.33Å; P458-V532 HydrophobicContact CB-CG1 4.48Å; P458-V532 HydrophobicContact CG-CG1 4.23Å
459P93.4Very high93.8Very high10 Ų1053.1 Ų53.17%0.06533%0.331CS..PPolyproline II helixtrans-67.1143172.429.2-33.4000110.2W435 L450 V465 Y508W435-P459 HydrophobicContact CD2-CG 3.54Å; W435-P459 HydrophobicContact CE3-CG 4.03Å; W435-P459 HydrophobicContact CG-CG 3.91Å; W435-P459 HydrophobicContact CH2-CG 4.23Å; W435-P459 HydrophobicContact CZ2-CG 3.76Å; W435-P459 HydrophobicContact CZ3-CG 4.35Å; L450-P459 HydrophobicContact CD1-CG 4.45Å; P459-V465 HydrophobicContact CB-CG2 3.45Å; P459-V465 VanDerWaalsContact CB-CG2 3.45Å; P459-V465 HydrophobicContact CG-CG2 3.88Å; P459-Y508 HydrophobicContact CB-CD1 3.96Å; P459-Y508 HydrophobicContact CB-CD2 4.31Å; P459-Y508 HydrophobicContact CB-CE1 3.7Å; P459-Y508 HydrophobicContact CB-CE2 4.08Å; P459-Y508 HydrophobicContact CB-CG 4.28Å; P459-Y508 WeakPolarHBondContact CD-OH 3.48Å; P459-Y508 HydrophobicContact CG-CE1 4.27Å
460R91Very high93.7Very high144 Ų14456 Ų5654%0.54334%0.343SS..PPolyproline II helixtrans-76.1155.7171.5-59.8174.1-179.9164.41.7110D462 E463R460-D462 WeakPolarHBondContact CB-OD1 3.36Å; R460-D462 PolarHBondContact O-N 2.95Å; R460-D462 VanDerWaalsContact O-N 3.12Å; R460-E463 HydrophobicContact CB-CG 4.06Å; R460-E463 PolarHBondContact N-OE2 3.22Å; R460-E463 PolarHBondContact O-N 3.4Å
461A85.7Confident93.7Very high119 Ų11955.8 Ų55.898%0.98334%0.344SS*.THydrogen-bonded Turntrans-62-21.5-176.900000113.8
462D90.5Very high93.6Very high138 Ų13857.9 Ų57.974%0.73837%0.367SS*.THydrogen-bonded Turntrans-95.2-7.117862.3-36.6000113.9R460R460-D462 WeakPolarHBondContact CB-OD1 3.36Å; R460-D462 PolarHBondContact O-N 2.95Å; R460-D462 VanDerWaalsContact O-N 3.12Å
463E93.7Very high93.7Very high39 Ų3955.6 Ų55.618%0.18235%0.353CS..SBendtrans-88.4123.8179.4-72.9177.6138.700111.1R457 R460 V465R457-E463 IonicContact CZ-OE1 3.68Å; R457-E463 IonicContact CZ-OE2 2.63Å; R457-E463 IonicContact NH1-OE1 3.57Å; R457-E463 PolarHBondContact NH1-OE1 3.39Å; R457-E463 VanDerWaalsContact NH1-OE1 3.15Å; R457-E463 IonicContact NH1-OE2 3.43Å; R457-E463 PolarHBondContact NH1-OE2 3.46Å; R457-E463 IonicContact NH2-OE1 2.76Å; R457-E463 PolarHBondContact NH2-OE1 2.85Å; R457-E463 IonicContact NH2-OE2 3.9Å; R460-E463 HydrophobicContact CB-CG 4.06Å; R460-E463 PolarHBondContact N-OE2 3.22Å; R460-E463 PolarHBondContact O-N 3.4Å; E463-V465 PolarHBondContact O-N 2.87Å
464A95.2Very high94.1Very high73 Ų7358.8 Ų58.860%0.60336%0.357SS*.  trans-72.6111.217200000110.3G509A464-G509 PolarHBondContact O-N 3.37Å
465V97.3Very high94.3Very high10 Ų1058.1 Ų58.16%0.06135%0.346CS..EExtended strand (participates in β ladder)trans-80.7134.2177.6-172.10000110W432 W435 P459 E463 L506 F507 Y508W432-V465 HydrophobicContact CB-CB 4.33Å; W432-V465 HydrophobicContact CB-CG1 4.13Å; W432-V465 HydrophobicContact CE3-CG1 4.03Å; W432-V465 PolarHBondContact N-O 3.37Å; W435-V465 HydrophobicContact CB-CB 4.37Å; W435-V465 HydrophobicContact CB-CG1 4.26Å; W435-V465 HydrophobicContact CB-CG2 4.33Å; W435-V465 HydrophobicContact CG-CG2 4.14Å; P459-V465 HydrophobicContact CB-CG2 3.45Å; P459-V465 VanDerWaalsContact CB-CG2 3.45Å; P459-V465 HydrophobicContact CG-CG2 3.88Å; E463-V465 PolarHBondContact O-N 2.87Å; V465-L506 HydrophobicContact CG1-CD1 3.9Å; V465-F507 WeakPolarHBondContact CA-O 3.42Å; V465-Y508 HydrophobicContact CB-CD1 4.42Å; V465-Y508 HydrophobicContact CG1-CD1 4.07Å; V465-Y508 HydrophobicContact CG1-CE1 4.02Å; V465-Y508 HydrophobicContact CG2-CD1 3.95Å; V465-Y508 HydrophobicContact CG2-CE1 4.16Å
466S97.8Very high94.5Very high9 Ų955.6 Ų55.66%0.06333%0.33CS..EExtended strand (participates in β ladder)trans-145.1157.517462.70000111.9V430 R468 F507V430-S466 WeakPolarHBondContact O-CA 3.46Å; S466-R468 PolarHBondContact OG-NE 3.43Å; S466-F507 PolarHBondContact N-O 3.06Å; S466-F507 PolarHBondContact O-N 3.09Å; S466-F507 WeakPolarHBondContact OG-CB 3.37Å
467V97.9Very high94.5Very high0 Ų055.6 Ų55.60%033%0.33CS..EExtended strand (participates in β ladder)trans-109.8129.8169.3178.70000108.9V430 W432 L439 L441 V448 F469 P504 L505 F534V430-V467 HydrophobicContact CB-CB 4.48Å; V430-V467 PolarHBondContact N-O 3.41Å; V430-V467 PolarHBondContact O-N 3.27Å; W432-V467 HydrophobicContact CE3-CG2 3.82Å; W432-V467 HydrophobicContact CZ3-CG2 4.14Å; L439-V467 HydrophobicContact CD2-CB 4.02Å; L439-V467 HydrophobicContact CD2-CG2 3.62Å; L441-V467 HydrophobicContact CD2-CB 4.46Å; L441-V467 HydrophobicContact CD2-CG1 3.85Å; V448-V467 HydrophobicContact CG2-CG2 4.03Å; V467-F469 HydrophobicContact CG1-CZ 4.43Å; V467-P504 HydrophobicContact CG1-CB 3.83Å; V467-L505 WeakPolarHBondContact CA-O 3.17Å; V467-F534 HydrophobicContact CG2-CZ 4.47Å
468R98Very high94.4Very high35 Ų3557.6 Ų57.613%0.13235%0.346CS..EExtended strand (participates in β ladder)trans-131177.5179.1-47.5-175.5-170.3-172.6-3109.6I429 S466 L505 F507 G509 E510I429-R468 HydrophobicContact CB-CG 4.49Å; I429-R468 HydrophobicContact CG1-CG 4.13Å; I429-R468 HydrophobicContact CG2-CG 4.17Å; S466-R468 PolarHBondContact OG-NE 3.43Å; R468-L505 PolarHBondContact N-O 3.3Å; R468-L505 WeakPolarHBondContact O-CA 3.35Å; R468-L505 VanDerWaalsContact O-CB 3.24Å; R468-L505 WeakPolarHBondContact O-CB 3.33Å; R468-L505 PolarHBondContact O-N 3.38Å; R468-F507 HydrophobicContact CB-CD2 3.81Å; R468-F507 HydrophobicContact CB-CE2 3.7Å; R468-F507 HydrophobicContact CG-CD2 3.66Å; R468-F507 HydrophobicContact CG-CE2 3.97Å; R468-F507 HydrophobicContact CG-CG 4.2Å; R468-G509 PolarHBondContact NH2-O 3.26Å; R468-G509 VanDerWaalsContact NH2-O 3.08Å; R468-E510 IonicContact CZ-OE1 3.37Å; R468-E510 IonicContact CZ-OE2 3.74Å; R468-E510 IonicContact NH1-OE1 3.54Å; R468-E510 PolarHBondContact NH1-OE1 3.16Å; R468-E510 IonicContact NH1-OE2 3.6Å; R468-E510 PolarHBondContact NH1-OE2 2.63Å; R468-E510 IonicContact NH2-OE1 2.86Å; R468-E510 PolarHBondContact NH2-OE1 3.18Å; R468-E510 IonicContact NH2-OE2 2.84Å; R468-E510 PolarHBondContact NH2-OE2 2.91Å
469F97.4Very high94.4Very high3 Ų359.1 Ų59.11%0.01337%0.372CS..SBendtrans-131.316.4178.9-56-91.7000112.8Q425 L441 P442 L445 V467 T502 T503 P504Q425-F469 HydrophobicContact CB-CB 4.08Å; Q425-F469 HydrophobicContact CB-CD1 4.04Å; Q425-F469 HydrophobicContact CB-CD2 3.36Å; Q425-F469 HydrophobicContact CB-CE1 4.34Å; Q425-F469 HydrophobicContact CB-CE2 3.72Å; Q425-F469 HydrophobicContact CB-CG 3.54Å; Q425-F469 HydrophobicContact CB-CZ 4.18Å; Q425-F469 HydrophobicContact CG-CD2 4.43Å; Q425-F469 HydrophobicContact CG-CE2 4.34Å; Q425-F469 HydrophobicContact CG-CZ 4.47Å; Q425-F469 WeakPolarHBondContact O-CB 3.47Å; Q425-F469 WeakPolarHBondContact O-CD2 3.43Å; L441-F469 HydrophobicContact CD2-CZ 4.33Å; P442-F469 HydrophobicContact CG-CE2 4.18Å; P442-F469 HydrophobicContact CG-CZ 4.3Å; L445-F469 HydrophobicContact CD1-CE1 3.71Å; L445-F469 HydrophobicContact CD1-CZ 3.87Å; V467-F469 HydrophobicContact CG1-CZ 4.43Å; F469-T502 WeakPolarHBondContact CE1-O 3.41Å; F469-T503 WeakPolarHBondContact CD1-O 3.01Å; F469-P504 HydrophobicContact CE1-CG 4.29Å
470K96Very high94.3Very high108 Ų10861 Ų6147%0.4738%0.378SS..  trans-148.8144.6178.8-175.9-179.8-179-178.20108.9S426 E427 F507S426-K470 VanDerWaalsContact O-CB 3.24Å; S426-K470 WeakPolarHBondContact O-CB 3.37Å; S426-K470 WeakPolarHBondContact O-CD 3.3Å; E427-K470 IonicContact OE1-NZ 3.15Å; E427-K470 PolarHBondContact OE1-NZ 3.43Å; E427-K470 IonicContact OE2-NZ 2.98Å; E427-K470 PolarHBondContact OE2-NZ 2.91Å; K470-F507 WeakPolarHBondContact O-CZ 3.17Å
471A95Very high94.1Very high17 Ų1761.7 Ų61.714%0.1439%0.392CS..  trans-136.1138.4173.600000109.7L475 L486 L505 F507 L512A471-L475 HydrophobicContact CB-CD1 4.07Å; A471-L475 HydrophobicContact CB-CD2 4.49Å; A471-L486 HydrophobicContact CB-CD2 3.99Å; A471-L505 HydrophobicContact CB-CD1 4.23Å; A471-F507 HydrophobicContact CB-CZ 3.81Å; A471-L512 HydrophobicContact CB-CD2 3.97Å
472A92.9Very high94.3Very high94 Ų9458 Ų5878%0.77737%0.367SS*.  trans-98165.4177.100000111.1
473G91.7Very high94.4Very high52 Ų5252.4 Ų52.454%0.53634%0.341SS..SBendtrans83.5-169.8174.500000115.4
474L94.7Very high94.5Very high117 Ų11756.6 Ų56.661%0.61336%0.355SS*.  trans-93.5126.4173.1-67174.2000108.3K485L474-K485 HydrophobicContact CD2-CG 4.32Å
475L95Very high94.5Very high19 Ų1960.1 Ų60.110%0.09936%0.357CS..BIsolated β-bridgetrans-108.9136.2-177.1-55.3172.1000109.5A471 G483 R484 L486 I489 L512A471-L475 HydrophobicContact CB-CD1 4.07Å; A471-L475 HydrophobicContact CB-CD2 4.49Å; L475-G483 VanDerWaalsContact O-CA 3.29Å; L475-G483 WeakPolarHBondContact O-CA 3.45Å; L475-R484 PolarHBondContact N-O 2.76Å; L475-R484 PolarHBondContact O-N 3.17Å; L475-L486 HydrophobicContact CD1-CB 3.78Å; L475-L486 HydrophobicContact CD1-CD1 3.75Å; L475-L486 HydrophobicContact CD1-CG 4.34Å; L475-I489 HydrophobicContact CB-CD1 3.71Å; L475-I489 HydrophobicContact CD1-CD1 4.17Å; L475-L512 HydrophobicContact CD1-CD2 3.52Å; L475-L512 HydrophobicContact CD2-CB 4.27Å; L475-L512 HydrophobicContact CD2-CD2 3.81Å; L475-L512 HydrophobicContact CG-CD2 4.22Å
476H96.3Very high94.4Very high77 Ų7760.4 Ų60.436%0.35636%0.358SS..  trans-107.7119.9175.7-67.4-106.8000108.4G483 T521 Q522H476-G483 PolarHBondContact CE1-N 3.03Å; H476-T521 CarbonylContact O-C 3.5Å; H476-T521 VanDerWaalsContact O-CA 3.25Å; H476-T521 WeakPolarHBondContact O-CA 3.48Å; H476-T521 WeakPolarHBondContact O-CB 3.36Å; H476-Q522 HydrophobicContact CB-CB 4.31Å; H476-Q522 HydrophobicContact CB-CG 4.08Å; H476-Q522 PolarHBondContact O-N 3.23Å
477I95.8Very high94.2Very high9 Ų966.9 Ų66.95%0.04639%0.385CS..BIsolated β-bridgetrans-111.5154.2-177.565.8175.1000111.3R480 I489 L493 F519 V520I477-R480 HydrophobicContact CD1-CB 4.31Å; I477-R480 HydrophobicContact CG1-CB 3.77Å; I477-R480 PolarHBondContact O-N 3.33Å; I477-I489 HydrophobicContact CD1-CG2 3.97Å; I477-I489 HydrophobicContact CG2-CD1 3.99Å; I477-L493 HydrophobicContact CD1-CD1 4.31Å; I477-F519 HydrophobicContact CB-CD2 4.33Å; I477-F519 HydrophobicContact CG2-CB 4.43Å; I477-F519 HydrophobicContact CG2-CD2 3.48Å; I477-F519 VanDerWaalsContact CG2-CD2 3.48Å; I477-F519 HydrophobicContact CG2-CE2 3.83Å; I477-F519 HydrophobicContact CG2-CG 3.96Å; I477-V520 WeakPolarHBondContact CA-O 3.29Å
478V94Very high94Very high82 Ų8271.3 Ų71.350%0.49740%0.404SS..THydrogen-bonded Turntrans-61141174.9-179.40000110R480 V520 V525V478-R480 VanDerWaalsContact C-N 3.29Å; V478-R480 PolarHBondContact O-N 3.37Å; V478-V520 HydrophobicContact CG2-CB 4.25Å; V478-V520 HydrophobicContact CG2-CG1 4.42Å; V478-V520 PolarHBondContact N-O 2.99Å; V478-V525 HydrophobicContact CG2-CG2 3.32Å
479G92.3Very high93.9Very high87 Ų8769.7 Ų69.790%0.89740%0.398SS*.THydrogen-bonded Turntrans79.62.9179.500000115.2
480R91Very high93.8Very high48 Ų4869.8 Ų69.818%0.18140%0.398CS..  trans-134.7129.1-179.9-169.5-143.7170.3142.623.1112.6I477 V478 E492I477-R480 HydrophobicContact CD1-CB 4.31Å; I477-R480 HydrophobicContact CG1-CB 3.77Å; I477-R480 PolarHBondContact O-N 3.33Å; V478-R480 VanDerWaalsContact C-N 3.29Å; V478-R480 PolarHBondContact O-N 3.37Å; R480-E492 IonicContact CZ-OE1 3.89Å; R480-E492 IonicContact CZ-OE2 3.92Å; R480-E492 IonicContact NE-OE2 3.83Å; R480-E492 IonicContact NH1-OE1 3.28Å; R480-E492 IonicContact NH1-OE2 2.76Å; R480-E492 PolarHBondContact NH1-OE2 3.46Å; R480-E492 IonicContact NH2-OE1 2.72Å; R480-E492 PolarHBondContact NH2-OE1 2.91Å; R480-E492 IonicContact NH2-OE2 3.64Å; R480-E492 PolarHBondContact NH2-OE2 3.21Å
481N87.9Confident93.6Very high159 Ų15968.9 Ų68.985%0.8540%0.396SS*.  trans-80.4131.4170.8-72.3-20.5000111.8
482G90.5Very high93.5Very high43 Ų4372.2 Ų72.244%0.44341%0.408SS..SBendtrans90147.2175.500000114.9
483G92.7Very high93.6Very high19 Ų1971.5 Ų71.520%0.19639%0.391CS..  trans-85.1142-179.200000113.1L475 H476L475-G483 VanDerWaalsContact O-CA 3.29Å; L475-G483 WeakPolarHBondContact O-CA 3.45Å; H476-G483 PolarHBondContact CE1-N 3.03Å
484R94.3Very high93.7Very high128 Ų12870.2 Ų70.248%0.48338%0.378SS..BIsolated β-bridgetrans-138.7161171-65.2-62.9-171.2-175.3-1.5111.7L475 K488 I489L475-R484 PolarHBondContact N-O 2.76Å; L475-R484 PolarHBondContact O-N 3.17Å; R484-K488 HydrophobicContact CB-CB 4.17Å; R484-K488 HydrophobicContact CB-CG 4.3Å; R484-K488 HydrophobicContact CG-CG 4.2Å; R484-I489 HydrophobicContact CB-CG1 4.23Å
485K95.8Very high93.7Very high147 Ų14765.1 Ų65.164%0.63935%0.352SS*.  trans-63.8147.6169.2-63.7-174.2176.7-176.40110.7L474 K487 K488 I489L474-K485 HydrophobicContact CD2-CG 4.32Å; K485-K487 VanDerWaalsContact C-N 3.27Å; K485-K487 PolarHBondContact O-N 2.87Å; K485-K487 VanDerWaalsContact O-N 3.16Å; K485-K488 WeakPolarHBondContact O-CB 3.42Å; K485-K488 PolarHBondContact O-N 3.5Å; K485-I489 PolarHBondContact O-N 2.79Å
486L95.6Very high93.6Very high16 Ų1665 Ų658%0.08435%0.352CS..Hα-helixtrans-49.8-43.4180-173.666.7000113.2A471 L475 K488 I489 W490 L505 F519A471-L486 HydrophobicContact CB-CD2 3.99Å; L475-L486 HydrophobicContact CD1-CB 3.78Å; L475-L486 HydrophobicContact CD1-CD1 3.75Å; L475-L486 HydrophobicContact CD1-CG 4.34Å; L486-K488 PolarHBondContact O-N 2.95Å; L486-I489 WeakPolarHBondContact O-CB 3.45Å; L486-I489 PolarHBondContact O-N 3.4Å; L486-I489 VanDerWaalsContact O-N 3.11Å; L486-W490 HydrophobicContact CD1-CD2 4.24Å; L486-W490 HydrophobicContact CD1-CZ2 3.97Å; L486-W490 HydrophobicContact CD2-CZ2 4.32Å; L486-W490 HydrophobicContact CG-CD2 4.4Å; L486-W490 HydrophobicContact CG-CG 4.48Å; L486-W490 HydrophobicContact CG-CZ2 4.33Å; L486-W490 PolarHBondContact O-N 3.4Å; L486-L505 HydrophobicContact CD2-CD1 3.87Å; L486-F519 HydrophobicContact CD1-CE1 4.02Å; L486-F519 HydrophobicContact CD1-CZ 3.74Å
487K93.1Very high93.4Very high145 Ų14562.5 Ų62.563%0.6334%0.343SS*.Hα-helixtrans-53.4-39176.7-177.7178.6179.71780113K485 Q491K485-K487 VanDerWaalsContact C-N 3.27Å; K485-K487 PolarHBondContact O-N 2.87Å; K485-K487 VanDerWaalsContact O-N 3.16Å; K487-Q491 WeakPolarHBondContact O-CG 3.46Å; K487-Q491 PolarHBondContact O-N 2.85Å
488K93.6Very high93.3Very high92 Ų9263.4 Ų63.440%0.435%0.345SS..Hα-helixtrans-76.9-37-179.2-175.759.4177.3170.30111.3R484 K485 L486 Q491 E492R484-K488 HydrophobicContact CB-CB 4.17Å; R484-K488 HydrophobicContact CB-CG 4.3Å; R484-K488 HydrophobicContact CG-CG 4.2Å; K485-K488 WeakPolarHBondContact O-CB 3.42Å; K485-K488 PolarHBondContact O-N 3.5Å; L486-K488 PolarHBondContact O-N 2.95Å; K488-Q491 WeakPolarHBondContact O-CB 3.38Å; K488-Q491 PolarHBondContact O-N 3.32Å; K488-E492 HydrophobicContact CD-CG 4.49Å; K488-E492 VanDerWaalsContact CE-OE1 3.28Å; K488-E492 WeakPolarHBondContact CE-OE1 3.43Å; K488-E492 WeakPolarHBondContact O-CG 3.19Å; K488-E492 PolarHBondContact O-N 3.21Å
489I95.7Very high93.3Very high1 Ų162 Ų621%0.00534%0.335CS..Hα-helixtrans-60.4-48172.7-67.9168.2000110.3L475 I477 R484 K485 L486 Q491 E492 L493 F519L475-I489 HydrophobicContact CB-CD1 3.71Å; L475-I489 HydrophobicContact CD1-CD1 4.17Å; I477-I489 HydrophobicContact CD1-CG2 3.97Å; I477-I489 HydrophobicContact CG2-CD1 3.99Å; R484-I489 HydrophobicContact CB-CG1 4.23Å; K485-I489 PolarHBondContact O-N 2.79Å; L486-I489 WeakPolarHBondContact O-CB 3.45Å; L486-I489 PolarHBondContact O-N 3.4Å; L486-I489 VanDerWaalsContact O-N 3.11Å; I489-Q491 VanDerWaalsContact C-N 3.26Å; I489-Q491 PolarHBondContact O-N 2.98Å; I489-E492 PolarHBondContact O-N 2.97Å; I489-E492 VanDerWaalsContact O-N 3.16Å; I489-L493 HydrophobicContact CG2-CD1 3.68Å; I489-L493 HydrophobicContact CG2-CG 4.3Å; I489-L493 WeakPolarHBondContact O-CB 3.22Å; I489-L493 PolarHBondContact O-N 3.35Å; I489-F519 HydrophobicContact CG2-CD1 3.81Å; I489-F519 HydrophobicContact CG2-CE1 3.7Å; I489-F519 HydrophobicContact CG2-CZ 4.45Å
490W95.3Very high93.4Very high6 Ų660 Ų602%0.02330%0.3CS..Hα-helixtrans-56-38.7174.6-69.5154.2000113.6L486 G494 V495 R500 T503 L505 A515 V518 F519L486-W490 HydrophobicContact CD1-CD2 4.24Å; L486-W490 HydrophobicContact CD1-CZ2 3.97Å; L486-W490 HydrophobicContact CD2-CZ2 4.32Å; L486-W490 HydrophobicContact CG-CD2 4.4Å; L486-W490 HydrophobicContact CG-CG 4.48Å; L486-W490 HydrophobicContact CG-CZ2 4.33Å; L486-W490 PolarHBondContact O-N 3.4Å; W490-G494 PolarHBondContact O-N 2.86Å; W490-V495 HydrophobicContact CB-CB 4.2Å; W490-V495 HydrophobicContact CD2-CB 4.36Å; W490-V495 HydrophobicContact CD2-CG1 4.4Å; W490-V495 HydrophobicContact CD2-CG2 4.39Å; W490-V495 HydrophobicContact CE3-CB 4.01Å; W490-V495 HydrophobicContact CE3-CG1 4.23Å; W490-V495 HydrophobicContact CE3-CG2 3.56Å; W490-V495 HydrophobicContact CZ3-CG2 4.01Å; W490-V495 PolarHBondContact O-N 2.86Å; W490-R500 HydrophobicContact CB-CG 3.9Å; W490-R500 HydrophobicContact CD2-CG 4.42Å; W490-R500 HydrophobicContact CG-CB 4.24Å; W490-R500 HydrophobicContact CG-CG 3.73Å; W490-R500 PolarHBondContact NE1-O 2.67Å; W490-T503 HydrophobicContact CH2-CG2 4.03Å; W490-L505 HydrophobicContact CH2-CD2 3.95Å; W490-L505 HydrophobicContact CZ2-CD2 3.91Å; W490-A515 HydrophobicContact CH2-CB 3.6Å; W490-A515 HydrophobicContact CZ3-CB 4.04Å; W490-V518 HydrophobicContact CE3-CG1 4.28Å; W490-V518 HydrophobicContact CZ3-CB 3.97Å; W490-V518 HydrophobicContact CZ3-CG1 3.68Å; W490-V518 HydrophobicContact CZ3-CG2 4.16Å; W490-F519 HydrophobicContact CE3-CD1 4.49Å; W490-F519 AromaticContact CE3-CE1 3.99Å; W490-F519 HydrophobicContact CE3-CE1 3.99Å; W490-F519 AromaticContact CH2-CE1 3.84Å; W490-F519 HydrophobicContact CH2-CE1 3.84Å; W490-F519 AromaticContact CZ3-CD1 3.91Å; W490-F519 HydrophobicContact CZ3-CD1 3.91Å; W490-F519 AromaticContact CZ3-CE1 3.45Å; W490-F519 HydrophobicContact CZ3-CE1 3.45Å; W490-F519 VanDerWaalsContact CZ3-CE1 3.45Å
491Q92.7Very high93.6Very high89 Ų8960.2 Ų60.242%0.41631%0.305SS..Hα-helixtrans-68.3-44.2176.3-73.3172.6-22.100112.4K487 K488 I489 G494K487-Q491 WeakPolarHBondContact O-CG 3.46Å; K487-Q491 PolarHBondContact O-N 2.85Å; K488-Q491 WeakPolarHBondContact O-CB 3.38Å; K488-Q491 PolarHBondContact O-N 3.32Å; I489-Q491 VanDerWaalsContact C-N 3.26Å; I489-Q491 PolarHBondContact O-N 2.98Å; Q491-G494 PolarHBondContact O-N 3.39Å
492E93.5Very high94Very high86 Ų8652.8 Ų52.840%0.40227%0.266SS..Hα-helixtrans-68.4-35.6-178.1-71.4165.6171.400112.3R480 K488 I489 G494R480-E492 IonicContact CZ-OE1 3.89Å; R480-E492 IonicContact CZ-OE2 3.92Å; R480-E492 IonicContact NE-OE2 3.83Å; R480-E492 IonicContact NH1-OE1 3.28Å; R480-E492 IonicContact NH1-OE2 2.76Å; R480-E492 PolarHBondContact NH1-OE2 3.46Å; R480-E492 IonicContact NH2-OE1 2.72Å; R480-E492 PolarHBondContact NH2-OE1 2.91Å; R480-E492 IonicContact NH2-OE2 3.64Å; R480-E492 PolarHBondContact NH2-OE2 3.21Å; K488-E492 HydrophobicContact CD-CG 4.49Å; K488-E492 VanDerWaalsContact CE-OE1 3.28Å; K488-E492 WeakPolarHBondContact CE-OE1 3.43Å; K488-E492 WeakPolarHBondContact O-CG 3.19Å; K488-E492 PolarHBondContact O-N 3.21Å; I489-E492 PolarHBondContact O-N 2.97Å; I489-E492 VanDerWaalsContact O-N 3.16Å; E492-G494 VanDerWaalsContact C-N 3.25Å; E492-G494 PolarHBondContact O-N 2.93Å
493L94.7Very high94.3Very high79 Ų7951 Ų5141%0.41425%0.246SC..THydrogen-bonded Turntrans-84.85.8176.2-63.6178.4000113.5I477 I489 V495 V518 F519I477-L493 HydrophobicContact CD1-CD1 4.31Å; I489-L493 HydrophobicContact CG2-CD1 3.68Å; I489-L493 HydrophobicContact CG2-CG 4.3Å; I489-L493 WeakPolarHBondContact O-CB 3.22Å; I489-L493 PolarHBondContact O-N 3.35Å; L493-V495 VanDerWaalsContact C-N 3.29Å; L493-V495 HydrophobicContact CB-CG2 4.24Å; L493-V495 PolarHBondContact O-N 3.3Å; L493-V518 HydrophobicContact CB-CG1 4.34Å; L493-V518 HydrophobicContact CD1-CG1 3.71Å; L493-F519 HydrophobicContact CD1-CB 4.1Å; L493-F519 HydrophobicContact CD1-CD1 3.74Å; L493-F519 HydrophobicContact CD1-CG 4.35Å
494G93.6Very high94.5Very high25 Ų2550.1 Ų50.126%0.25824%0.237SC..THydrogen-bonded Turntrans68.424.2176.100000114.5Y412 W490 Q491 E492 P496Y412-G494 WeakPolarHBondContact CE1-O 3.25Å; Y412-G494 WeakPolarHBondContact OH-CA 3.46Å; Y412-G494 PolarHBondContact OH-O 2.96Å; Y412-G494 VanDerWaalsContact OH-O 3.06Å; W490-G494 PolarHBondContact O-N 2.86Å; Q491-G494 PolarHBondContact O-N 3.39Å; E492-G494 VanDerWaalsContact C-N 3.25Å; E492-G494 PolarHBondContact O-N 2.93Å; G494-P496 WeakPolarHBondContact O-CD 3.42Å
495V94Very high94.7Very high11 Ų1144 Ų447%0.06721%0.214CC..  trans-75.9120.5-180-177.90000110.2W490 L493 L499 R500 V518W490-V495 HydrophobicContact CB-CB 4.2Å; W490-V495 HydrophobicContact CD2-CB 4.36Å; W490-V495 HydrophobicContact CD2-CG1 4.4Å; W490-V495 HydrophobicContact CD2-CG2 4.39Å; W490-V495 HydrophobicContact CE3-CB 4.01Å; W490-V495 HydrophobicContact CE3-CG1 4.23Å; W490-V495 HydrophobicContact CE3-CG2 3.56Å; W490-V495 HydrophobicContact CZ3-CG2 4.01Å; W490-V495 PolarHBondContact O-N 2.86Å; L493-V495 VanDerWaalsContact C-N 3.29Å; L493-V495 HydrophobicContact CB-CG2 4.24Å; L493-V495 PolarHBondContact O-N 3.3Å; V495-L499 HydrophobicContact CG1-CB 3.94Å; V495-R500 HydrophobicContact CG1-CG 3.99Å; V495-R500 VanDerWaalsContact O-CZ 3.29Å; V495-R500 PolarHBondContact O-NE 2.91Å; V495-R500 PolarHBondContact O-NH2 3.17Å; V495-V518 HydrophobicContact CG2-CG1 3.8Å
496P93Very high94.8Very high15 Ų1537 Ų3710%0.09718%0.183CC..  trans-59.1144.7178-23.331.6000113.1Y412 G494 W498 L499 R500Y412-P496 HydrophobicContact CD1-CB 3.89Å; Y412-P496 HydrophobicContact CD1-CG 3.86Å; Y412-P496 HydrophobicContact CE1-CB 4.1Å; Y412-P496 HydrophobicContact CE1-CG 3.83Å; Y412-P496 HydrophobicContact CG-CB 4.34Å; G494-P496 WeakPolarHBondContact O-CD 3.42Å; P496-W498 VanDerWaalsContact C-N 3.31Å; P496-W498 HydrophobicContact CB-CD2 3.79Å; P496-W498 HydrophobicContact CB-CE3 4.11Å; P496-W498 HydrophobicContact CB-CG 4.47Å; P496-W498 HydrophobicContact CB-CH2 3.81Å; P496-W498 HydrophobicContact CB-CZ2 3.41Å; P496-W498 VanDerWaalsContact CB-CZ2 3.41Å; P496-W498 HydrophobicContact CB-CZ3 4.14Å; P496-W498 HydrophobicContact CG-CZ2 4.04Å; P496-W498 PolarHBondContact O-N 3.45Å; P496-L499 HydrophobicContact CG-CD1 4.19Å; P496-L499 PolarHBondContact O-N 3.27Å; P496-R500 WeakPolarHBondContact O-CG 3.41Å; P496-R500 PolarHBondContact O-N 2.8Å
497P93Very high94.9Very high26 Ų2636.6 Ų36.617%0.16918%0.181CC..G310 helixtrans-52.5-40.3-175.8-29.735.7000115.7Y412 L499 R500Y412-P497 HydrophobicContact CD2-CG 4.24Å; P497-L499 PolarHBondContact O-N 3.06Å; P497-R500 WeakPolarHBondContact O-CB 3.33Å; P497-R500 PolarHBondContact O-N 3.15Å
498W92.5Very high95.1Very high27 Ų2729.9 Ų29.910%0.10215%0.151CC..G310 helixtrans-71.8-11.6179.455.188.9000114.4R410 Y412 W417 I419 P496 T502R410-W498 HydrophobicContact CB-CE3 3.93Å; R410-W498 HydrophobicContact CB-CH2 4.28Å; R410-W498 HydrophobicContact CB-CZ3 3.54Å; R410-W498 HydrophobicContact CG-CE3 4.25Å; R410-W498 HydrophobicContact CG-CZ3 4.36Å; Y412-W498 HydrophobicContact CG-CH2 4.38Å; W417-W498 HydrophobicContact CB-CH2 3.69Å; W417-W498 HydrophobicContact CB-CZ2 3.86Å; W417-W498 AromaticContact CD1-CH2 3.66Å; W417-W498 AromaticContact CD2-CH2 3.72Å; W417-W498 HydrophobicContact CD2-CH2 3.72Å; W417-W498 AromaticContact CD2-CZ2 3.54Å; W417-W498 HydrophobicContact CD2-CZ2 3.54Å; W417-W498 HydrophobicContact CE3-CH2 4.36Å; W417-W498 AromaticContact CE3-CZ2 3.71Å; W417-W498 HydrophobicContact CE3-CZ2 3.71Å; W417-W498 AromaticContact CG-CH2 3.4Å; W417-W498 HydrophobicContact CG-CH2 3.4Å; W417-W498 AromaticContact CG-CZ2 3.64Å; W417-W498 HydrophobicContact CG-CZ2 3.64Å; W417-W498 HydrophobicContact CZ3-CZ2 4.45Å; I419-W498 HydrophobicContact CD1-CB 3.96Å; I419-W498 VanDerWaalsContact CD1-CD1 3.47Å; I419-W498 HydrophobicContact CD1-CD2 3.47Å; I419-W498 VanDerWaalsContact CD1-CD2 3.47Å; I419-W498 HydrophobicContact CD1-CE3 4.15Å; I419-W498 HydrophobicContact CD1-CG 3.37Å; I419-W498 HydrophobicContact CD1-CZ2 4.35Å; I419-W498 HydrophobicContact CG2-CZ2 4.41Å; P496-W498 VanDerWaalsContact C-N 3.31Å; P496-W498 HydrophobicContact CB-CD2 3.79Å; P496-W498 HydrophobicContact CB-CE3 4.11Å; P496-W498 HydrophobicContact CB-CG 4.47Å; P496-W498 HydrophobicContact CB-CH2 3.81Å; P496-W498 HydrophobicContact CB-CZ2 3.41Å; P496-W498 VanDerWaalsContact CB-CZ2 3.41Å; P496-W498 HydrophobicContact CB-CZ3 4.14Å; P496-W498 HydrophobicContact CG-CZ2 4.04Å; P496-W498 PolarHBondContact O-N 3.45Å; W498-T502 PolarHBondContact O-OG1 2.75Å
499L94.4Very high95.2Very high52 Ų5226.7 Ų26.727%0.27215%0.145SC..G310 helixtrans-93.5-15.5172.8-64-174.4000112.4V495 P496 P497 D501 T502 T503V495-L499 HydrophobicContact CG1-CB 3.94Å; P496-L499 HydrophobicContact CG-CD1 4.19Å; P496-L499 PolarHBondContact O-N 3.27Å; P497-L499 PolarHBondContact O-N 3.06Å; L499-D501 VanDerWaalsContact C-N 3.29Å; L499-D501 PolarHBondContact O-N 3.43Å; L499-T502 VanDerWaalsContact CA-OG1 3.3Å; L499-T502 WeakPolarHBondContact CA-OG1 3.44Å; L499-T502 PolarHBondContact O-N 3.12Å; L499-T503 VanDerWaalsContact O-CB 3.3Å; L499-T503 WeakPolarHBondContact O-CB 3.35Å; L499-T503 PolarHBondContact O-N 3.23Å; L499-T503 PolarHBondContact O-OG1 3.06Å
500R94.8Very high95.1Very high45 Ų4533.7 Ų33.717%0.1718%0.178CC..THydrogen-bonded Turntrans-72-22.9-170.2-65.3-178.9-173169.90.9114.1W490 V495 P496 P497W490-R500 HydrophobicContact CB-CG 3.9Å; W490-R500 HydrophobicContact CD2-CG 4.42Å; W490-R500 HydrophobicContact CG-CB 4.24Å; W490-R500 HydrophobicContact CG-CG 3.73Å; W490-R500 PolarHBondContact NE1-O 2.67Å; V495-R500 HydrophobicContact CG1-CG 3.99Å; V495-R500 VanDerWaalsContact O-CZ 3.29Å; V495-R500 PolarHBondContact O-NE 2.91Å; V495-R500 PolarHBondContact O-NH2 3.17Å; P496-R500 WeakPolarHBondContact O-CG 3.41Å; P496-R500 PolarHBondContact O-N 2.8Å; P497-R500 WeakPolarHBondContact O-CB 3.33Å; P497-R500 PolarHBondContact O-N 3.15Å
501D94.6Very high95.1Very high53 Ų5335.5 Ų35.528%0.28319%0.19SC..THydrogen-bonded Turntrans-115.511.7178.463-20.2000112.5G424 Q425 L499G424-D501 WeakPolarHBondContact CA-OD2 3.22Å; Q425-D501 WeakPolarHBondContact CA-O 3.46Å; Q425-D501 WeakPolarHBondContact CB-O 3.46Å; Q425-D501 PolarHBondContact N-O 3.48Å; L499-D501 VanDerWaalsContact C-N 3.29Å; L499-D501 PolarHBondContact O-N 3.43Å
502T95.9Very high95.3Very high4 Ų431.8 Ų31.83%0.02517%0.172CC..THydrogen-bonded Turntrans-130.4-6.2176.455.80000113.2V422 L445 F469 W498 L499 P504V422-T502 HydrophobicContact CB-CG2 4.47Å; V422-T502 HydrophobicContact CG1-CG2 3.96Å; L445-T502 HydrophobicContact CD2-CG2 4.32Å; F469-T502 WeakPolarHBondContact CE1-O 3.41Å; W498-T502 PolarHBondContact O-OG1 2.75Å; L499-T502 VanDerWaalsContact CA-OG1 3.3Å; L499-T502 WeakPolarHBondContact CA-OG1 3.44Å; L499-T502 PolarHBondContact O-N 3.12Å; T502-P504 WeakPolarHBondContact O-CD 3.38Å
503T97.2Very high95.5Very high5 Ų527.7 Ų27.73%0.03115%0.153CC..SBendtrans-78.3123.2171.8-60.50000110.1F469 W490 L499 L505 V518F469-T503 WeakPolarHBondContact CD1-O 3.01Å; W490-T503 HydrophobicContact CH2-CG2 4.03Å; L499-T503 VanDerWaalsContact O-CB 3.3Å; L499-T503 WeakPolarHBondContact O-CB 3.35Å; L499-T503 PolarHBondContact O-N 3.23Å; L499-T503 PolarHBondContact O-OG1 3.06Å; T503-L505 PolarHBondContact O-N 3.28Å; T503-V518 HydrophobicContact CG2-CG2 4.12Å
504P97.6Very high95.7Very high0 Ų024 Ų240%013%0.134CC..  trans-60.8129.4178.2-2535.8000112.5L441 V448 V467 F469 T502 A516 F534 W536L441-P504 HydrophobicContact CD1-CB 4.37Å; L441-P504 HydrophobicContact CD1-CG 3.48Å; L441-P504 VanDerWaalsContact CD1-CG 3.48Å; V448-P504 HydrophobicContact CG1-CB 4Å; V448-P504 HydrophobicContact CG1-CG 3.93Å; V467-P504 HydrophobicContact CG1-CB 3.83Å; F469-P504 HydrophobicContact CE1-CG 4.29Å; T502-P504 WeakPolarHBondContact O-CD 3.38Å; P504-A516 HydrophobicContact CB-CB 4.15Å; P504-A516 HydrophobicContact CG-CB 4.39Å; P504-A516 PolarHBondContact O-N 2.95Å; P504-F534 HydrophobicContact CB-CE1 4.17Å; P504-F534 HydrophobicContact CB-CZ 3.85Å; P504-W536 HydrophobicContact CG-CD2 4.01Å; P504-W536 HydrophobicContact CG-CE3 4.49Å; P504-W536 HydrophobicContact CG-CG 4.12Å
505L98.3Very high95.9Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-110.7122.6172.9-56.7-176.6000109.5V467 R468 A471 L486 W490 T503 F507 L512 A514 A515V467-L505 WeakPolarHBondContact CA-O 3.17Å; R468-L505 PolarHBondContact N-O 3.3Å; R468-L505 WeakPolarHBondContact O-CA 3.35Å; R468-L505 VanDerWaalsContact O-CB 3.24Å; R468-L505 WeakPolarHBondContact O-CB 3.33Å; R468-L505 PolarHBondContact O-N 3.38Å; A471-L505 HydrophobicContact CB-CD1 4.23Å; L486-L505 HydrophobicContact CD2-CD1 3.87Å; W490-L505 HydrophobicContact CH2-CD2 3.95Å; W490-L505 HydrophobicContact CZ2-CD2 3.91Å; T503-L505 PolarHBondContact O-N 3.28Å; L505-F507 HydrophobicContact CB-CD2 4.15Å; L505-F507 HydrophobicContact CB-CE2 3.69Å; L505-F507 HydrophobicContact CD1-CE2 4.27Å; L505-L512 HydrophobicContact CB-CD1 3.71Å; L505-L512 HydrophobicContact CD1-CD1 4.26Å; L505-L512 HydrophobicContact CD2-CD1 4.34Å; L505-L512 HydrophobicContact CG-CD1 4.33Å; L505-A514 CarbonylContact C-O 3.56Å; L505-A514 WeakPolarHBondContact CA-O 3.47Å; L505-A515 HydrophobicContact CD2-CB 3.55Å
506L98Very high96Very high0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-82.1127.2177.4-17565.6000110.1W432 L450 I456 V465 Y508 I513 A514 F534W432-L506 HydrophobicContact CE3-CD1 4.28Å; W432-L506 HydrophobicContact CZ3-CD1 4.11Å; L450-L506 HydrophobicContact CD2-CD2 3.83Å; I456-L506 HydrophobicContact CG2-CD2 4.37Å; V465-L506 HydrophobicContact CG1-CD1 3.9Å; L506-Y508 HydrophobicContact CD1-CE1 4.03Å; L506-Y508 HydrophobicContact CD2-CE1 3.83Å; L506-Y508 HydrophobicContact CG-CD1 4.44Å; L506-Y508 HydrophobicContact CG-CE1 3.83Å; L506-I513 HydrophobicContact CB-CB 4.3Å; L506-I513 HydrophobicContact CD2-CB 4.17Å; L506-I513 HydrophobicContact CD2-CG2 3.96Å; L506-I513 HydrophobicContact CG-CB 4.17Å; L506-I513 WeakPolarHBondContact O-CB 3.48Å; L506-I513 PolarHBondContact O-N 2.89Å; L506-A514 PolarHBondContact N-O 3.12Å; L506-F534 HydrophobicContact CB-CD1 3.95Å; L506-F534 HydrophobicContact CB-CE1 3.78Å; L506-F534 HydrophobicContact CB-CE2 4.46Å; L506-F534 HydrophobicContact CB-CG 4.37Å; L506-F534 HydrophobicContact CB-CZ 4.07Å; L506-F534 HydrophobicContact CD1-CE2 4.29Å; L506-F534 HydrophobicContact CD2-CB 4.41Å; L506-F534 HydrophobicContact CD2-CD2 4.43Å; L506-F534 HydrophobicContact CD2-CG 4.25Å
507F98.1Very high96Very high8 Ų826.1 Ų26.14%0.03516%0.16CC..EExtended strand (participates in β ladder)trans-122.8135.4176.7-80.8-101.2000111.1V465 S466 R468 K470 A471 L505 T511 L512V465-F507 WeakPolarHBondContact CA-O 3.42Å; S466-F507 PolarHBondContact N-O 3.06Å; S466-F507 PolarHBondContact O-N 3.09Å; S466-F507 WeakPolarHBondContact OG-CB 3.37Å; R468-F507 HydrophobicContact CB-CD2 3.81Å; R468-F507 HydrophobicContact CB-CE2 3.7Å; R468-F507 HydrophobicContact CG-CD2 3.66Å; R468-F507 HydrophobicContact CG-CE2 3.97Å; R468-F507 HydrophobicContact CG-CG 4.2Å; K470-F507 WeakPolarHBondContact O-CZ 3.17Å; A471-F507 HydrophobicContact CB-CZ 3.81Å; L505-F507 HydrophobicContact CB-CD2 4.15Å; L505-F507 HydrophobicContact CB-CE2 3.69Å; L505-F507 HydrophobicContact CD1-CE2 4.27Å; F507-T511 VanDerWaalsContact CA-O 3.26Å; F507-T511 WeakPolarHBondContact CA-O 3.47Å; F507-T511 WeakPolarHBondContact CD1-O 3.24Å; F507-L512 HydrophobicContact CD1-CB 4.46Å; F507-L512 HydrophobicContact CD2-CD1 4.1Å; F507-L512 HydrophobicContact CE1-CB 3.95Å; F507-L512 HydrophobicContact CE1-CD1 4.5Å; F507-L512 HydrophobicContact CE2-CD1 3.59Å; F507-L512 HydrophobicContact CZ-CB 4Å; F507-L512 HydrophobicContact CZ-CD1 3.82Å; F507-L512 HydrophobicContact CZ-CG 4.49Å
508Y96.6Very high96.2Very high3 Ų327.3 Ų27.31%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-110.2110.8165-59.4-18.4000107.7R457 P459 V465 L506 E510 T511 I513R457-Y508 HydrophobicContact CG-CE2 4.02Å; R457-Y508 VanDerWaalsContact O-CE2 3.29Å; R457-Y508 WeakPolarHBondContact O-CE2 3.47Å; R457-Y508 PolarHBondContact O-OH 3.2Å; P459-Y508 HydrophobicContact CB-CD1 3.96Å; P459-Y508 HydrophobicContact CB-CD2 4.31Å; P459-Y508 HydrophobicContact CB-CE1 3.7Å; P459-Y508 HydrophobicContact CB-CE2 4.08Å; P459-Y508 HydrophobicContact CB-CG 4.28Å; P459-Y508 WeakPolarHBondContact CD-OH 3.48Å; P459-Y508 HydrophobicContact CG-CE1 4.27Å; V465-Y508 HydrophobicContact CB-CD1 4.42Å; V465-Y508 HydrophobicContact CG1-CD1 4.07Å; V465-Y508 HydrophobicContact CG1-CE1 4.02Å; V465-Y508 HydrophobicContact CG2-CD1 3.95Å; V465-Y508 HydrophobicContact CG2-CE1 4.16Å; L506-Y508 HydrophobicContact CD1-CE1 4.03Å; L506-Y508 HydrophobicContact CD2-CE1 3.83Å; L506-Y508 HydrophobicContact CG-CD1 4.44Å; L506-Y508 HydrophobicContact CG-CE1 3.83Å; Y508-E510 PolarHBondContact O-N 2.9Å; Y508-T511 PolarHBondContact N-O 3.26Å; Y508-T511 PolarHBondContact O-N 2.83Å; Y508-T511 VanDerWaalsContact O-N 3.09Å; Y508-I513 HydrophobicContact CD1-CG1 3.97Å; Y508-I513 HydrophobicContact CD2-CD1 3.41Å; Y508-I513 VanDerWaalsContact CD2-CD1 3.41Å; Y508-I513 HydrophobicContact CD2-CG1 3.47Å; Y508-I513 VanDerWaalsContact CD2-CG1 3.47Å; Y508-I513 HydrophobicContact CE1-CG1 4.26Å; Y508-I513 HydrophobicContact CE2-CD1 3.94Å; Y508-I513 HydrophobicContact CE2-CG1 3.8Å; Y508-I513 HydrophobicContact CE2-CG2 4.05Å; Y508-I513 HydrophobicContact CG-CD1 3.84Å; Y508-I513 HydrophobicContact CG-CG1 3.55Å
509G95Very high96.4Very high26 Ų2627 Ų2727%0.26817%0.166SC..THydrogen-bonded Turntrans59.9-121.6-163.700000111A464 R468A464-G509 PolarHBondContact O-N 3.37Å; R468-G509 PolarHBondContact NH2-O 3.26Å; R468-G509 VanDerWaalsContact NH2-O 3.08Å
510E94.2Very high96.5Very high147 Ų14726 Ų2669%0.68716%0.163SC*.THydrogen-bonded Turntrans-99-1.6175.4-65.7-55.712700113.6R468 Y508R468-E510 IonicContact CZ-OE1 3.37Å; R468-E510 IonicContact CZ-OE2 3.74Å; R468-E510 IonicContact NH1-OE1 3.54Å; R468-E510 PolarHBondContact NH1-OE1 3.16Å; R468-E510 IonicContact NH1-OE2 3.6Å; R468-E510 PolarHBondContact NH1-OE2 2.63Å; R468-E510 IonicContact NH2-OE1 2.86Å; R468-E510 PolarHBondContact NH2-OE1 3.18Å; R468-E510 IonicContact NH2-OE2 2.84Å; R468-E510 PolarHBondContact NH2-OE2 2.91Å; Y508-E510 PolarHBondContact O-N 2.9Å
511T95.8Very high96.6Very high45 Ų4524.1 Ų24.128%0.27616%0.156SC..EExtended strand (participates in β ladder)trans-85.6126.2-179.6-66.80000110.7F507 Y508 I513 E523F507-T511 VanDerWaalsContact CA-O 3.26Å; F507-T511 WeakPolarHBondContact CA-O 3.47Å; F507-T511 WeakPolarHBondContact CD1-O 3.24Å; Y508-T511 PolarHBondContact N-O 3.26Å; Y508-T511 PolarHBondContact O-N 2.83Å; Y508-T511 VanDerWaalsContact O-N 3.09Å; T511-I513 HydrophobicContact CG2-CD1 3.94Å; T511-E523 HydrophobicContact CG2-CB 4.03Å; T511-E523 WeakPolarHBondContact CG2-OE2 3.49Å
512L97.5Very high96.6Very high10 Ų1026.2 Ų26.25%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-71.8131.2169.9177.669.7000109.6A471 L475 L505 F507 F519 T521A471-L512 HydrophobicContact CB-CD2 3.97Å; L475-L512 HydrophobicContact CD1-CD2 3.52Å; L475-L512 HydrophobicContact CD2-CB 4.27Å; L475-L512 HydrophobicContact CD2-CD2 3.81Å; L475-L512 HydrophobicContact CG-CD2 4.22Å; L505-L512 HydrophobicContact CB-CD1 3.71Å; L505-L512 HydrophobicContact CD1-CD1 4.26Å; L505-L512 HydrophobicContact CD2-CD1 4.34Å; L505-L512 HydrophobicContact CG-CD1 4.33Å; F507-L512 HydrophobicContact CD1-CB 4.46Å; F507-L512 HydrophobicContact CD2-CD1 4.1Å; F507-L512 HydrophobicContact CE1-CB 3.95Å; F507-L512 HydrophobicContact CE1-CD1 4.5Å; F507-L512 HydrophobicContact CE2-CD1 3.59Å; F507-L512 HydrophobicContact CZ-CB 4Å; F507-L512 HydrophobicContact CZ-CD1 3.82Å; F507-L512 HydrophobicContact CZ-CG 4.49Å; L512-F519 HydrophobicContact CD2-CE2 3.94Å; L512-F519 HydrophobicContact CD2-CZ 4.06Å; L512-T521 HydrophobicContact CB-CG2 4.32Å; L512-T521 HydrophobicContact CD2-CG2 3.85Å; L512-T521 HydrophobicContact CG-CG2 3.82Å; L512-T521 WeakPolarHBondContact O-CG2 3.41Å; L512-T521 PolarHBondContact O-OG1 3.27Å
513I97.5Very high96.5Very high0 Ų032 Ų320%019%0.191CC..EExtended strand (participates in β ladder)trans-106-53.3-177.6-57.2-61000110.8I456 L506 Y508 T511 T521I456-I513 HydrophobicContact CG2-CG2 3.34Å; L506-I513 HydrophobicContact CB-CB 4.3Å; L506-I513 HydrophobicContact CD2-CB 4.17Å; L506-I513 HydrophobicContact CD2-CG2 3.96Å; L506-I513 HydrophobicContact CG-CB 4.17Å; L506-I513 WeakPolarHBondContact O-CB 3.48Å; L506-I513 PolarHBondContact O-N 2.89Å; Y508-I513 HydrophobicContact CD1-CG1 3.97Å; Y508-I513 HydrophobicContact CD2-CD1 3.41Å; Y508-I513 VanDerWaalsContact CD2-CD1 3.41Å; Y508-I513 HydrophobicContact CD2-CG1 3.47Å; Y508-I513 VanDerWaalsContact CD2-CG1 3.47Å; Y508-I513 HydrophobicContact CE1-CG1 4.26Å; Y508-I513 HydrophobicContact CE2-CD1 3.94Å; Y508-I513 HydrophobicContact CE2-CG1 3.8Å; Y508-I513 HydrophobicContact CE2-CG2 4.05Å; Y508-I513 HydrophobicContact CG-CD1 3.84Å; Y508-I513 HydrophobicContact CG-CG1 3.55Å; T511-I513 HydrophobicContact CG2-CD1 3.94Å; I513-T521 WeakPolarHBondContact CA-OG1 3.44Å; I513-T521 WeakPolarHBondContact O-CB 3.31Å; I513-T521 PolarHBondContact O-N 3.11Å; I513-T521 PolarHBondContact O-OG1 3.41Å
514A97.7Very high96.4Very high2 Ų231.8 Ų31.82%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-155.3159.2-177.400000112.1I456 L505 L506 F519 V520 F534I456-A514 HydrophobicContact CD1-CB 3.57Å; I456-A514 HydrophobicContact CG1-CB 4.28Å; L505-A514 CarbonylContact C-O 3.56Å; L505-A514 WeakPolarHBondContact CA-O 3.47Å; L506-A514 PolarHBondContact N-O 3.12Å; A514-F519 CarbonylContact C-O 3.56Å; A514-F519 WeakPolarHBondContact CA-O 3.33Å; A514-F519 WeakPolarHBondContact CB-O 3.44Å; A514-V520 HydrophobicContact CB-CG2 4.24Å; A514-F534 HydrophobicContact CB-CD1 4.41Å
515A97.7Very high96.3Very high3 Ų334.7 Ų34.73%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-108.2123.8164.900000108.9W490 L505 G517 V518 F519W490-A515 HydrophobicContact CH2-CB 3.6Å; W490-A515 HydrophobicContact CZ3-CB 4.04Å; L505-A515 HydrophobicContact CD2-CB 3.55Å; A515-G517 PolarHBondContact O-N 3.12Å; A515-G517 VanDerWaalsContact O-N 3.12Å; A515-V518 HydrophobicContact CB-CB 4.06Å; A515-V518 PolarHBondContact O-N 3.3Å; A515-F519 HydrophobicContact CB-CD1 3.77Å; A515-F519 HydrophobicContact CB-CD2 4.26Å; A515-F519 HydrophobicContact CB-CE1 3.54Å; A515-F519 HydrophobicContact CB-CE2 4.04Å; A515-F519 HydrophobicContact CB-CG 4.12Å; A515-F519 HydrophobicContact CB-CZ 3.68Å; A515-F519 PolarHBondContact N-O 3.16Å; A515-F519 PolarHBondContact O-N 3.41Å
516A96.8Very high96Very high4 Ų435.5 Ų35.53%0.03321%0.214CC..THydrogen-bonded Turntrans-54.4117.8-172.400000112.3P504 V518 F534 W536P504-A516 HydrophobicContact CB-CB 4.15Å; P504-A516 HydrophobicContact CG-CB 4.39Å; P504-A516 PolarHBondContact O-N 2.95Å; A516-V518 PolarHBondContact O-N 3.31Å; A516-F534 HydrophobicContact CB-CD1 3.8Å; A516-F534 HydrophobicContact CB-CE1 3.58Å; A516-F534 HydrophobicContact CB-CZ 4.27Å; A516-W536 HydrophobicContact CB-CB 3.76Å; A516-W536 HydrophobicContact CB-CE3 4.45Å; A516-W536 HydrophobicContact CB-CG 4.46Å
517G93.7Very high95.3Very high88 Ų8844.6 Ų44.691%0.90726%0.257SS*.THydrogen-bonded Turntrans67.110179.800000115.7A515A515-G517 PolarHBondContact O-N 3.12Å; A515-G517 VanDerWaalsContact O-N 3.12Å
518V95.6Very high94.5Very high52 Ų5247 Ų4732%0.31528%0.283SS..THydrogen-bonded Turntrans-120-53.8-178.2-168.10000113.5W490 L493 V495 T503 A515 A516W490-V518 HydrophobicContact CE3-CG1 4.28Å; W490-V518 HydrophobicContact CZ3-CB 3.97Å; W490-V518 HydrophobicContact CZ3-CG1 3.68Å; W490-V518 HydrophobicContact CZ3-CG2 4.16Å; L493-V518 HydrophobicContact CB-CG1 4.34Å; L493-V518 HydrophobicContact CD1-CG1 3.71Å; V495-V518 HydrophobicContact CG2-CG1 3.8Å; T503-V518 HydrophobicContact CG2-CG2 4.12Å; A515-V518 HydrophobicContact CB-CB 4.06Å; A515-V518 PolarHBondContact O-N 3.3Å; A516-V518 PolarHBondContact O-N 3.31Å
519F96.8Very high93.6Very high19 Ų1956.1 Ų56.18%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-157.9161.9179.666.3-104.6000112.8I477 L486 I489 W490 L493 L512 A514 A515 T521I477-F519 HydrophobicContact CB-CD2 4.33Å; I477-F519 HydrophobicContact CG2-CB 4.43Å; I477-F519 HydrophobicContact CG2-CD2 3.48Å; I477-F519 VanDerWaalsContact CG2-CD2 3.48Å; I477-F519 HydrophobicContact CG2-CE2 3.83Å; I477-F519 HydrophobicContact CG2-CG 3.96Å; L486-F519 HydrophobicContact CD1-CE1 4.02Å; L486-F519 HydrophobicContact CD1-CZ 3.74Å; I489-F519 HydrophobicContact CG2-CD1 3.81Å; I489-F519 HydrophobicContact CG2-CE1 3.7Å; I489-F519 HydrophobicContact CG2-CZ 4.45Å; W490-F519 HydrophobicContact CE3-CD1 4.49Å; W490-F519 AromaticContact CE3-CE1 3.99Å; W490-F519 HydrophobicContact CE3-CE1 3.99Å; W490-F519 AromaticContact CH2-CE1 3.84Å; W490-F519 HydrophobicContact CH2-CE1 3.84Å; W490-F519 AromaticContact CZ3-CD1 3.91Å; W490-F519 HydrophobicContact CZ3-CD1 3.91Å; W490-F519 AromaticContact CZ3-CE1 3.45Å; W490-F519 HydrophobicContact CZ3-CE1 3.45Å; W490-F519 VanDerWaalsContact CZ3-CE1 3.45Å; L493-F519 HydrophobicContact CD1-CB 4.1Å; L493-F519 HydrophobicContact CD1-CD1 3.74Å; L493-F519 HydrophobicContact CD1-CG 4.35Å; L512-F519 HydrophobicContact CD2-CE2 3.94Å; L512-F519 HydrophobicContact CD2-CZ 4.06Å; A514-F519 CarbonylContact C-O 3.56Å; A514-F519 WeakPolarHBondContact CA-O 3.33Å; A514-F519 WeakPolarHBondContact CB-O 3.44Å; A515-F519 HydrophobicContact CB-CD1 3.77Å; A515-F519 HydrophobicContact CB-CD2 4.26Å; A515-F519 HydrophobicContact CB-CE1 3.54Å; A515-F519 HydrophobicContact CB-CE2 4.04Å; A515-F519 HydrophobicContact CB-CG 4.12Å; A515-F519 HydrophobicContact CB-CZ 3.68Å; A515-F519 PolarHBondContact N-O 3.16Å; A515-F519 PolarHBondContact O-N 3.41Å; F519-T521 HydrophobicContact CD2-CG2 4.43Å; F519-T521 HydrophobicContact CE2-CG2 4Å
520V96.9Very high93.1Very high32 Ų3261.9 Ų61.919%0.19435%0.351CS..EExtended strand (participates in β ladder)trans-115.6140.3167.5-177.70000108.7I456 I477 V478 A514 V525I456-V520 HydrophobicContact CD1-CG2 4.12Å; I456-V520 HydrophobicContact CG1-CG1 3.98Å; I456-V520 HydrophobicContact CG1-CG2 3.75Å; I477-V520 WeakPolarHBondContact CA-O 3.29Å; V478-V520 HydrophobicContact CG2-CB 4.25Å; V478-V520 HydrophobicContact CG2-CG1 4.42Å; V478-V520 PolarHBondContact N-O 2.99Å; A514-V520 HydrophobicContact CB-CG2 4.24Å; V520-V525 HydrophobicContact CG1-CG2 4.47Å
521T97.1Very high93Very high5 Ų555 Ų553%0.03132%0.32CS..BIsolated β-bridgetrans-80157.7174.664.10000110.9H476 L512 I513 F519 E523 G524 V525H476-T521 CarbonylContact O-C 3.5Å; H476-T521 VanDerWaalsContact O-CA 3.25Å; H476-T521 WeakPolarHBondContact O-CA 3.48Å; H476-T521 WeakPolarHBondContact O-CB 3.36Å; L512-T521 HydrophobicContact CB-CG2 4.32Å; L512-T521 HydrophobicContact CD2-CG2 3.85Å; L512-T521 HydrophobicContact CG-CG2 3.82Å; L512-T521 WeakPolarHBondContact O-CG2 3.41Å; L512-T521 PolarHBondContact O-OG1 3.27Å; I513-T521 WeakPolarHBondContact CA-OG1 3.44Å; I513-T521 WeakPolarHBondContact O-CB 3.31Å; I513-T521 PolarHBondContact O-N 3.11Å; I513-T521 PolarHBondContact O-OG1 3.41Å; F519-T521 HydrophobicContact CD2-CG2 4.43Å; F519-T521 HydrophobicContact CE2-CG2 4Å; T521-E523 VanDerWaalsContact C-N 3.27Å; T521-E523 PolarHBondContact O-N 2.93Å; T521-G524 PolarHBondContact O-N 2.79Å; T521-G524 PolarHBondContact OG1-N 2.8Å; T521-G524 VanDerWaalsContact OG1-N 3.17Å; T521-V525 WeakPolarHBondContact O-CG2 3.49Å; T521-V525 PolarHBondContact O-N 2.82Å
522Q95.2Very high92.9Very high98 Ų9853.5 Ų53.546%0.45831%0.31SS..G310 helixtrans-61.6-36.1176.1-68.6-177.3-0.400112.3H476 G524 V525H476-Q522 HydrophobicContact CB-CB 4.31Å; H476-Q522 HydrophobicContact CB-CG 4.08Å; H476-Q522 PolarHBondContact O-N 3.23Å; Q522-G524 PolarHBondContact O-N 3.4Å; Q522-V525 PolarHBondContact O-N 3.04Å
523E94Very high92.8Very high125 Ų12555.1 Ų55.158%0.58432%0.322SS*.G310 helixtrans-70.8-15175.2-65.9178.7-142.800113.3R457 T511 T521R457-E523 WeakPolarHBondContact CD-O 3.38Å; R457-E523 PolarHBondContact NE-O 2.77Å; T511-E523 HydrophobicContact CG2-CB 4.03Å; T511-E523 WeakPolarHBondContact CG2-OE2 3.49Å; T521-E523 VanDerWaalsContact C-N 3.27Å; T521-E523 PolarHBondContact O-N 2.93Å
524G94.4Very high92.8Very high0 Ų055.7 Ų55.70%033%0.325CS..G310 helixtrans-95-7.2178.500000114.4I456 R457 T521 Q522I456-G524 CarbonylContact C-O 3.46Å; I456-G524 VanDerWaalsContact CA-O 3.25Å; I456-G524 WeakPolarHBondContact CA-O 3.35Å; R457-G524 PolarHBondContact N-O 3.32Å; T521-G524 PolarHBondContact O-N 2.79Å; T521-G524 PolarHBondContact OG1-N 2.8Å; T521-G524 VanDerWaalsContact OG1-N 3.17Å; Q522-G524 PolarHBondContact O-N 3.4Å
525V94.6Very high92.7Very high61 Ų6157.7 Ų57.737%0.3734%0.337SS..BIsolated β-bridgetrans-68.3138.1-176.3-178.10000110.9D455 V478 V520 T521 Q522D455-V525 CarbonylContact O-C 3.57Å; D455-V525 WeakPolarHBondContact O-CA 3.29Å; V478-V525 HydrophobicContact CG2-CG2 3.32Å; V520-V525 HydrophobicContact CG1-CG2 4.47Å; T521-V525 WeakPolarHBondContact O-CG2 3.49Å; T521-V525 PolarHBondContact O-N 2.82Å; Q522-V525 PolarHBondContact O-N 3.04Å
526A92.8Very high92.7Very high18 Ų1860.1 Ų60.115%0.14935%0.345CS..  trans-65.8133.2175.900000112.3D455 G528D455-A526 PolarHBondContact O-N 2.98Å; A526-G528 PolarHBondContact O-N 3.35Å
527E84.4Confident92.6Very high191 Ų19164.6 Ų64.689%0.89337%0.365SS*.SBendtrans-85.176.6169.3-66.9177.6-177.100108.9
528G79.7Confident92.4Very high58 Ų5866.8 Ų66.860%0.59835%0.35SS*.SBendtrans110-162.8178.800000114.7A526 N530A526-G528 PolarHBondContact O-N 3.35Å; G528-N530 VanDerWaalsContact C-N 3.33Å; G528-N530 PolarHBondContact O-N 3.33Å
529E78Confident91.5Very high195 Ų19568.6 Ų68.691%0.91136%0.361SS*.SBendtrans-79.7-6.9-169.4-62-174163.300114.9G531E529-G531 PolarHBondContact O-N 3.37Å
530N84.3Confident89.7Confident147 Ų14776.2 Ų76.279%0.78640%0.402SS*.  trans-94.232.1-171.9-67.7-27.9000114.3P458 G528P458-N530 VanDerWaalsContact CG-O 3.28Å; P458-N530 WeakPolarHBondContact CG-O 3.33Å; G528-N530 VanDerWaalsContact C-N 3.33Å; G528-N530 PolarHBondContact O-N 3.33Å
531G92.5Very high87.8Confident3 Ų382.3 Ų82.33%0.03145%0.446CS..  trans-77.6171.118000000114.2G453 G454 I456 E529G453-G531 CarbonylContact C-O 3.34Å; G453-G531 WeakPolarHBondContact CA-O 3.42Å; G453-G531 PolarHBondContact N-O 2.98Å; G454-G531 PolarHBondContact N-O 3.23Å; G454-G531 CarbonylContact O-C 3.6Å; G454-G531 WeakPolarHBondContact O-CA 3.5Å; I456-G531 CarbonylContact O-C 3.6Å; I456-G531 WeakPolarHBondContact O-CA 3.37Å; E529-G531 PolarHBondContact O-N 3.37Å
532V94Very high87.3Confident13 Ų1386.2 Ų86.28%0.07947%0.467CS..EExtended strand (participates in β ladder)trans-117.5160.4177-65.40000110.7L450 T451 G454 I456 P458L450-V532 HydrophobicContact CB-CB 4.47Å; L450-V532 HydrophobicContact CD2-CG2 4.16Å; T451-V532 CarbonylContact O-C 3.58Å; T451-V532 WeakPolarHBondContact O-CA 3.31Å; T451-V532 WeakPolarHBondContact O-CB 3.42Å; G454-V532 CarbonylContact C-O 3.54Å; G454-V532 WeakPolarHBondContact CA-O 3.33Å; I456-V532 HydrophobicContact CB-CG2 4.1Å; I456-V532 VanDerWaalsContact CB-O 3.3Å; I456-V532 WeakPolarHBondContact CB-O 2.98Å; I456-V532 HydrophobicContact CG2-CG2 4.15Å; I456-V532 PolarHBondContact N-O 2.65Å; I456-V532 VanDerWaalsContact N-O 3.13Å; I456-V532 WeakPolarHBondContact O-CG2 3.17Å; I456-V532 PolarHBondContact O-N 3.18Å; P458-V532 HydrophobicContact CB-CG1 4.48Å; P458-V532 HydrophobicContact CG-CG1 4.23Å
533S94.9Very high86.9Confident44 Ų4485.5 Ų85.531%0.30847%0.467SS..EExtended strand (participates in β ladder)trans-110133.2170.6-175.30000110.2L450 T451 G453L450-S533 WeakPolarHBondContact CA-O 3.28Å; T451-S533 PolarHBondContact N-O 3.4Å; T451-S533 PolarHBondContact O-N 3.26Å; G453-S533 WeakPolarHBondContact O-CB 3.3Å
534F96.8Very high86.5Confident11 Ų1183.3 Ų83.35%0.04846%0.461CS..EExtended strand (participates in β ladder)trans-93.298176.4-178.8-137.8000109.8W432 V448 L450 I456 V467 P504 L506 A514 A516W432-F534 HydrophobicContact CH2-CE2 4.41Å; W432-F534 HydrophobicContact CZ3-CD2 4.46Å; W432-F534 AromaticContact CZ3-CE2 3.93Å; W432-F534 HydrophobicContact CZ3-CE2 3.93Å; V448-F534 HydrophobicContact CB-CD2 4.46Å; V448-F534 HydrophobicContact CB-CE2 3.62Å; V448-F534 HydrophobicContact CB-CZ 4.19Å; V448-F534 HydrophobicContact CG1-CE2 3.96Å; V448-F534 HydrophobicContact CG1-CZ 4.05Å; V448-F534 HydrophobicContact CG2-CE2 3.94Å; V448-F534 HydrophobicContact CG2-CZ 4.4Å; L450-F534 HydrophobicContact CD2-CB 3.95Å; L450-F534 HydrophobicContact CD2-CD2 3.84Å; L450-F534 HydrophobicContact CD2-CG 4.28Å; I456-F534 HydrophobicContact CD1-CB 3.57Å; V467-F534 HydrophobicContact CG2-CZ 4.47Å; P504-F534 HydrophobicContact CB-CE1 4.17Å; P504-F534 HydrophobicContact CB-CZ 3.85Å; L506-F534 HydrophobicContact CB-CD1 3.95Å; L506-F534 HydrophobicContact CB-CE1 3.78Å; L506-F534 HydrophobicContact CB-CE2 4.46Å; L506-F534 HydrophobicContact CB-CG 4.37Å; L506-F534 HydrophobicContact CB-CZ 4.07Å; L506-F534 HydrophobicContact CD1-CE2 4.29Å; L506-F534 HydrophobicContact CD2-CB 4.41Å; L506-F534 HydrophobicContact CD2-CD2 4.43Å; L506-F534 HydrophobicContact CD2-CG 4.25Å; A514-F534 HydrophobicContact CB-CD1 4.41Å; A516-F534 HydrophobicContact CB-CD1 3.8Å; A516-F534 HydrophobicContact CB-CE1 3.58Å; A516-F534 HydrophobicContact CB-CZ 4.27Å
535V96.4Very high86.1Confident45 Ų4588.2 Ų88.227%0.27349%0.488SS..EExtended strand (participates in β ladder)trans-100.7130.3-171.6-177.30000110V448 Q449 T451 Q537V448-V535 VanDerWaalsContact CA-O 3.29Å; V448-V535 WeakPolarHBondContact CA-O 3.47Å; Q449-V535 HydrophobicContact CG-CB 4.2Å; Q449-V535 PolarHBondContact N-O 3.38Å; Q449-V535 PolarHBondContact O-N 3.37Å; T451-V535 HydrophobicContact CG2-CG2 4.44Å; V535-Q537 HydrophobicContact CG1-CG 4.45Å
536W96.8Very high85.5Confident54 Ų5489.9 Ų89.921%0.20550%0.495CS..EExtended strand (participates in β ladder)trans-109.7119.4175.2177.528.8000110.8L445 V448 P504 A516 K538L445-W536 HydrophobicContact CD2-CZ2 4.43Å; L445-W536 PolarHBondContact O-NE1 2.92Å; V448-W536 HydrophobicContact CG1-CB 4.01Å; V448-W536 HydrophobicContact CG1-CG 4.14Å; P504-W536 HydrophobicContact CG-CD2 4.01Å; P504-W536 HydrophobicContact CG-CE3 4.49Å; P504-W536 HydrophobicContact CG-CG 4.12Å; A516-W536 HydrophobicContact CB-CB 3.76Å; A516-W536 HydrophobicContact CB-CE3 4.45Å; A516-W536 HydrophobicContact CB-CG 4.46Å; W536-K538 HydrophobicContact CD2-CG 4.29Å; W536-K538 HydrophobicContact CH2-CD 4.45Å; W536-K538 HydrophobicContact CZ2-CD 4.27Å; W536-K538 HydrophobicContact CZ2-CG 3.89Å; W536-K538 VanDerWaalsContact CZ3-CE 3.47Å
537Q94.7Very high85Confident97 Ų9794.7 Ų94.745%0.45352%0.518SS..EExtended strand (participates in β ladder)trans-106115.3175.8-66.1-178.5-1900109G446 S447 V535G446-Q537 CarbonylContact C-O 3.58Å; G446-Q537 VanDerWaalsContact CA-O 3.27Å; G446-Q537 WeakPolarHBondContact CA-O 3.32Å; S447-Q537 PolarHBondContact N-O 3.23Å; S447-Q537 PolarHBondContact O-N 2.96Å; V535-Q537 HydrophobicContact CG1-CG 4.45Å
538K89.9Confident85.1Confident135 Ų13587.9 Ų87.959%0.58749%0.491SS*.  trans-82.2145.2177.1-64.6176.5-177.5177.20110.2W536 L540W536-K538 HydrophobicContact CD2-CG 4.29Å; W536-K538 HydrophobicContact CH2-CD 4.45Å; W536-K538 HydrophobicContact CZ2-CD 4.27Å; W536-K538 HydrophobicContact CZ2-CG 3.89Å; W536-K538 VanDerWaalsContact CZ3-CE 3.47Å; K538-L540 PolarHBondContact O-N 2.64Å
539T78.3Confident85.5Confident89 Ų8990.2 Ų90.255%0.54648%0.483SS..  trans-60.9131.4170.5-45.10000109.6G446 S541G446-T539 WeakPolarHBondContact CA-OG1 3.24Å; T539-S541 PolarHBondContact O-N 2.76Å
540L58.4Low86.1Confident179 Ų17981.4 Ų81.494%0.93745%0.448SS*.  trans-57.2112.7171.3-78.6159000108.3K538K538-L540 PolarHBondContact O-N 2.64Å
541S56.6Low86.3Confident160 Ų16075.5 Ų75.5100%1.11942%0.417SS*.  trans-870-176.856.50000112.9T539T539-S541 PolarHBondContact O-N 2.76Å

Retrieved 541 of 541 residues in 1753.7 ms (Link to these results)

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