A0A077Z5L5_TRITR Loading...

Trafficking protein particle complex subunit

AlphaFold DB , UniProt , Accession A0A077Z5L5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 142 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
1M47.2Very low84.3Confident249 Ų24961.3 Ų61.3100%1.22729%0.286SS*.  049.60-151.7-178.2-79.600109.8
2R55.1Low85.3Confident246 Ų24656.2 Ų56.293%0.92826%0.262SS*.  trans-139.2126.9-168.9-83.2-177.1173.1170.8-2.6107.3
3G63.7Low86.1Confident26 Ų2652.6 Ų52.627%0.26825%0.246SC..  cis-163.3122.3-7.900000107.6T5 D88G3-T5 PolarHBondContact O-N 3.48Å; G3-D88 WeakPolarHBondContact O-CB 3.16Å
4M82.9Confident86.5Confident101 Ų10152.3 Ų52.350%0.49825%0.25SS..  trans-73.845.1-175.5-57173.6-150.400111.9A90 F92 S140M4-A90 HydrophobicContact CG-CB 3.89Å; M4-F92 HydrophobicContact SD-CE1 4.37Å; M4-S140 CarbonylContact O-C 3.03Å; M4-S140 WeakPolarHBondContact O-CA 3.11Å; M4-S140 VanDerWaalsContact O-CB 3.26Å; M4-S140 WeakPolarHBondContact O-CB 3.28Å
5T92.9Very high86.8Confident11 Ų1157.5 Ų57.57%0.06727%0.274CS..  trans-105.7155.2-160.1-1560000113.5G3 Y7 H25 T87 D88 S140 A142G3-T5 PolarHBondContact O-N 3.48Å; T5-Y7 HydrophobicContact CG2-CD1 3.69Å; T5-Y7 HydrophobicContact CG2-CE1 3.29Å; T5-H25 HydrophobicContact CG2-CB 3.9Å; T5-H25 PolarHBondContact OG1-ND1 2.87Å; T5-T87 WeakPolarHBondContact O-CA 3.22Å; T5-T87 WeakPolarHBondContact O-CB 3.11Å; T5-D88 PolarHBondContact O-N 2.83Å; T5-S140 CarbonylContact C-O 3.45Å; T5-S140 VanDerWaalsContact CA-O 3.28Å; T5-S140 WeakPolarHBondContact CA-O 3.46Å; T5-A142 WeakPolarHBondContact CB-O 3.47Å; T5-A142 PolarHBondContact OG1-O 3Å
6I97.2Very high87Confident0 Ų054.6 Ų54.60%027%0.265CS..EExtended strand (participates in β ladder)trans-92.1121.5171.4-64.9163.1000108.4W24 H25 M85 T87 I94 L97 V135 S140 F141I6-W24 HydrophobicContact CG2-CE3 3.84Å; I6-W24 HydrophobicContact CG2-CZ3 4Å; I6-H25 PolarHBondContact O-N 3.42Å; I6-M85 HydrophobicContact CB-SD 4.31Å; I6-M85 HydrophobicContact CD1-CE 4.49Å; I6-M85 HydrophobicContact CD1-SD 3.75Å; I6-M85 HydrophobicContact CG1-SD 3.75Å; I6-M85 HydrophobicContact CG2-CE 4.14Å; I6-M85 HydrophobicContact CG2-CG 3.75Å; I6-M85 HydrophobicContact CG2-SD 3.58Å; I6-M85 VanDerWaalsContact CG2-SD 3.58Å; I6-T87 HydrophobicContact CB-CG2 4.46Å; I6-T87 HydrophobicContact CG1-CG2 3.95Å; I6-I94 HydrophobicContact CD1-CD1 4.09Å; I6-I94 HydrophobicContact CG1-CD1 4.07Å; I6-L97 HydrophobicContact CD1-CD2 3.92Å; I6-V135 HydrophobicContact CD1-CG1 4Å; I6-V135 HydrophobicContact CG2-CG1 4.23Å; I6-S140 WeakPolarHBondContact CG1-O 3.34Å; I6-S140 PolarHBondContact N-O 3.12Å; I6-F141 HydrophobicContact CB-CD2 4.18Å; I6-F141 HydrophobicContact CD1-CD2 4.36Å
7Y96.4Very high87.4Confident34 Ų3458.5 Ų58.513%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-84.9-51.2-179.4-58.2-49.3000111.7T5 W24 H25 N70 N86 T87 D88T5-Y7 HydrophobicContact CG2-CD1 3.69Å; T5-Y7 HydrophobicContact CG2-CE1 3.29Å; Y7-W24 PolarHBondContact O-N 3.16Å; Y7-H25 VanDerWaalsContact CD1-O 3.31Å; Y7-H25 WeakPolarHBondContact CD1-O 3.48Å; Y7-N70 HydrophobicContact CE2-CB 4.16Å; Y7-N86 WeakPolarHBondContact CB-O 3.42Å; Y7-N86 PolarHBondContact N-O 3.49Å; Y7-T87 WeakPolarHBondContact CE2-O 3.27Å; Y7-D88 HydrophobicContact CE2-CB 4.47Å; Y7-D88 VanDerWaalsContact CE2-N 3.3Å; Y7-D88 PolarHBondContact OH-OD2 3.05Å
8N97Very high87.9Confident0 Ų056.3 Ų56.30%027%0.273CS..EExtended strand (participates in β ladder)trans-165.5162-174.865.3-85.3000112Y10 Y21 Y22 E23 M85 N86N8-Y10 WeakPolarHBondContact ND2-CE2 3.4Å; N8-Y10 PolarHBondContact ND2-OH 2.59Å; N8-Y21 HydrophobicContact CB-CE2 4.02Å; N8-Y22 CarbonylContact C-O 3.45Å; N8-Y22 WeakPolarHBondContact CA-O 3.32Å; N8-Y22 WeakPolarHBondContact CB-O 3.38Å; N8-E23 HydrophobicContact CB-CB 4.45Å; N8-M85 WeakPolarHBondContact O-CA 3.49Å; N8-N86 PolarHBondContact N-O 3.24Å; N8-N86 PolarHBondContact O-N 3.38Å; N8-N86 WeakPolarHBondContact OD1-CB 3.43Å; N8-N86 PolarHBondContact OD1-ND2 2.83Å; N8-N86 VanDerWaalsContact OD1-ND2 3.09Å
9L98.4Very high88.4Confident0 Ų053.5 Ų53.50%026%0.26CS..EExtended strand (participates in β ladder)trans-126.6133.7176.2174.672000109.5I11 Y21 Y22 W24 F83 V84 M85 L98 I101 L131L9-I11 HydrophobicContact CD2-CD1 4.38Å; L9-I11 HydrophobicContact CD2-CG1 4.3Å; L9-I11 HydrophobicContact CG-CG1 4.34Å; L9-Y21 WeakPolarHBondContact O-CA 3.4Å; L9-Y22 HydrophobicContact CD2-CD2 4.37Å; L9-Y22 PolarHBondContact N-O 3.05Å; L9-Y22 PolarHBondContact O-N 2.82Å; L9-W24 HydrophobicContact CB-CH2 3.87Å; L9-W24 HydrophobicContact CB-CZ3 3.72Å; L9-F83 HydrophobicContact CD1-CB 4.35Å; L9-V84 CarbonylContact C-O 3.52Å; L9-V84 WeakPolarHBondContact CA-O 3.4Å; L9-M85 HydrophobicContact CB-CE 4.45Å; L9-M85 HydrophobicContact CD1-CB 4.16Å; L9-M85 HydrophobicContact CD1-CE 4.14Å; L9-L98 HydrophobicContact CD1-CD2 3.8Å; L9-I101 HydrophobicContact CD2-CD1 4.4Å; L9-L131 HydrophobicContact CD2-CD1 3.8Å; L9-L131 HydrophobicContact CD2-CD2 4.08Å
10Y98.2Very high88.8Confident7 Ų751 Ų513%0.02725%0.249CC..EExtended strand (participates in β ladder)trans-107.7145.8164.9-48.5-94.1000110.1N8 F12 G20 Y21 E37 F38 V41 F83 V84N8-Y10 WeakPolarHBondContact ND2-CE2 3.4Å; N8-Y10 PolarHBondContact ND2-OH 2.59Å; Y10-F12 VanDerWaalsContact CB-CE2 3.41Å; Y10-F12 HydrophobicContact CD1-CE2 4.43Å; Y10-F12 HydrophobicContact CD1-CZ 4.36Å; Y10-F12 AromaticContact CG-CE2 3.99Å; Y10-F12 HydrophobicContact CG-CE2 3.99Å; Y10-F12 HydrophobicContact CG-CZ 4.36Å; Y10-G20 CarbonylContact C-O 3.53Å; Y10-G20 WeakPolarHBondContact CA-O 3.33Å; Y10-Y21 AromaticContact CD1-CD2 3.46Å; Y10-Y21 HydrophobicContact CD1-CD2 3.46Å; Y10-Y21 VanDerWaalsContact CD1-CD2 3.46Å; Y10-Y21 AromaticContact CD1-CE2 3.99Å; Y10-Y21 HydrophobicContact CD1-CE2 3.99Å; Y10-Y21 AromaticContact CE1-CD2 3.31Å; Y10-Y21 HydrophobicContact CE1-CD2 3.31Å; Y10-Y21 AromaticContact CE1-CE2 3.37Å; Y10-Y21 HydrophobicContact CE1-CE2 3.37Å; Y10-Y21 HydrophobicContact CG-CD2 4.3Å; Y10-Y21 AromaticContact CZ-CE2 3.74Å; Y10-E37 HydrophobicContact CE1-CG 4.4Å; Y10-E37 PolarHBondContact OH-OE1 3.42Å; Y10-F38 AromaticContact CD1-CD1 3.84Å; Y10-F38 HydrophobicContact CD1-CD1 3.84Å; Y10-F38 AromaticContact CD1-CE1 4Å; Y10-F38 HydrophobicContact CD1-CE1 4Å; Y10-F38 AromaticContact CE1-CD1 3.72Å; Y10-F38 HydrophobicContact CE1-CD1 3.72Å; Y10-F38 AromaticContact CE1-CE1 3.8Å; Y10-F38 HydrophobicContact CE1-CE1 3.8Å; Y10-V41 HydrophobicContact CD2-CG1 4.11Å; Y10-V41 HydrophobicContact CE1-CG2 4.33Å; Y10-V41 HydrophobicContact CE2-CG1 4.22Å; Y10-V41 HydrophobicContact CE2-CG2 4.01Å; Y10-V41 HydrophobicContact CG-CG1 4.45Å; Y10-F83 WeakPolarHBondContact O-CA 2.93Å; Y10-V84 HydrophobicContact CD2-CB 4.08Å; Y10-V84 HydrophobicContact CD2-CG1 4.15Å; Y10-V84 PolarHBondContact N-O 3.37Å; Y10-V84 PolarHBondContact O-N 3.04Å
11I98Very high89.2Confident0 Ų051.7 Ų51.70%025%0.249CC..EExtended strand (participates in β ladder)trans-123.6117.3169.6-52.5179.3000107.4L9 I19 G20 Y22 L81 K82 F83 Y106 I122 F127L9-I11 HydrophobicContact CD2-CD1 4.38Å; L9-I11 HydrophobicContact CD2-CG1 4.3Å; L9-I11 HydrophobicContact CG-CG1 4.34Å; I11-I19 HydrophobicContact CB-CG1 4.24Å; I11-I19 HydrophobicContact CG2-CD1 4.05Å; I11-I19 HydrophobicContact CG2-CG1 3.89Å; I11-I19 VanDerWaalsContact O-CG1 3.32Å; I11-I19 WeakPolarHBondContact O-CG1 3.42Å; I11-I19 PolarHBondContact O-N 3.15Å; I11-G20 PolarHBondContact N-O 3.25Å; I11-G20 PolarHBondContact O-N 3.18Å; I11-Y22 HydrophobicContact CD1-CE2 4.01Å; I11-L81 HydrophobicContact CG2-CD1 4Å; I11-L81 HydrophobicContact CG2-CG 4.35Å; I11-K82 CarbonylContact C-O 3.56Å; I11-K82 WeakPolarHBondContact CA-O 3.43Å; I11-F83 HydrophobicContact CD1-CD1 4.05Å; I11-F83 HydrophobicContact CD1-CE1 3.75Å; I11-F83 HydrophobicContact CG1-CD1 3.83Å; I11-F83 HydrophobicContact CG1-CE1 3.98Å; I11-F83 HydrophobicContact CG2-CD1 4.37Å; I11-F83 HydrophobicContact CG2-CE1 4.09Å; I11-F83 HydrophobicContact CG2-CZ 4.34Å; I11-Y106 HydrophobicContact CD1-CD2 4.42Å; I11-Y106 HydrophobicContact CG2-CD2 4.42Å; I11-Y106 HydrophobicContact CG2-CE2 4.07Å; I11-I122 HydrophobicContact CD1-CD1 4.02Å; I11-F127 HydrophobicContact CD1-CE1 4.37Å; I11-F127 HydrophobicContact CD1-CZ 3.77Å
12F97Very high91.6Very high0 Ų041.2 Ų41.20%020%0.196CC..EExtended strand (participates in β ladder)trans-108.1131179.1-66.9-88.7000111.2Y10 G16 H17 C18 F38 V41 H42 L45 L81 K82 V84Y10-F12 VanDerWaalsContact CB-CE2 3.41Å; Y10-F12 HydrophobicContact CD1-CE2 4.43Å; Y10-F12 HydrophobicContact CD1-CZ 4.36Å; Y10-F12 AromaticContact CG-CE2 3.99Å; Y10-F12 HydrophobicContact CG-CE2 3.99Å; Y10-F12 HydrophobicContact CG-CZ 4.36Å; F12-G16 WeakPolarHBondContact CD1-O 3.33Å; F12-H17 WeakPolarHBondContact CA-O 3.03Å; F12-C18 HydrophobicContact CD1-CB 3.97Å; F12-C18 HydrophobicContact CE1-CB 3.7Å; F12-C18 HydrophobicContact CZ-CB 4.35Å; F12-F38 HydrophobicContact CE1-CB 4.21Å; F12-F38 WeakPolarHBondContact CE1-O 3.46Å; F12-F38 HydrophobicContact CZ-CB 4.49Å; F12-V41 HydrophobicContact CE2-CB 4.4Å; F12-V41 HydrophobicContact CE2-CG1 3.73Å; F12-V41 HydrophobicContact CZ-CB 4.04Å; F12-V41 HydrophobicContact CZ-CG1 3.88Å; F12-H42 HydrophobicContact CD1-CB 4.25Å; F12-H42 HydrophobicContact CE1-CB 3.88Å; F12-H42 HydrophobicContact CZ-CB 4.3Å; F12-L45 HydrophobicContact CD2-CD1 4.05Å; F12-L45 HydrophobicContact CE2-CD1 4.19Å; F12-L81 WeakPolarHBondContact O-CD1 3.49Å; F12-K82 HydrophobicContact CB-CB 4.2Å; F12-K82 PolarHBondContact N-O 3.25Å; F12-K82 PolarHBondContact O-N 2.6Å; F12-V84 HydrophobicContact CD2-CG2 4.11Å; F12-V84 HydrophobicContact CE2-CG2 4.19Å
13H95.2Very high93.6Very high10 Ų1031.9 Ų31.95%0.04616%0.163CC..  trans-69.1156.9169.7-168-103.8000110.6Q15 G16 H17 I19 K118H13-Q15 PolarHBondContact CE1-OE1 2.88Å; H13-Q15 PolarHBondContact ND1-OE1 3.32Å; H13-Q15 PolarHBondContact O-N 3.23Å; H13-G16 PolarHBondContact O-N 3.46Å; H13-H17 PolarHBondContact N-O 2.87Å; H13-I19 HydrophobicContact CB-CD1 4.27Å; H13-I19 HydrophobicContact CB-CG1 4.44Å; H13-I19 HydrophobicContact CB-CG2 3.7Å; H13-K118 WeakPolarHBondContact NE2-CG 3.36Å
14P92.3Very high95.1Very high48 Ų4832.7 Ų32.731%0.31216%0.158SC..THydrogen-bonded Turntrans-53.9-27.6-177.9-34.140000116.7G16 T79P14-G16 PolarHBondContact O-N 3.46Å; P14-T79 WeakPolarHBondContact CG-O 3.32Å
15Q90.8Very high95.6Very high130 Ų13031.6 Ų31.661%0.60715%0.152SC*.THydrogen-bonded Turntrans-81.64.3174.4-60.992.228.500114.2H13H13-Q15 PolarHBondContact CE1-OE1 2.88Å; H13-Q15 PolarHBondContact ND1-OE1 3.32Å; H13-Q15 PolarHBondContact O-N 3.23Å
16G90.3Very high95.6Very high12 Ų1233.2 Ų33.212%0.12416%0.156CC..SBendtrans90.90.4173.700000115.8F12 H13 P14 H42F12-G16 WeakPolarHBondContact CD1-O 3.33Å; H13-G16 PolarHBondContact O-N 3.46Å; P14-G16 PolarHBondContact O-N 3.46Å; G16-H42 VanDerWaalsContact CA-CD2 3.42Å; G16-H42 WeakPolarHBondContact CA-CD2 3.41Å; G16-H42 WeakPolarHBondContact CA-NE2 3.33Å
17H93.4Very high95.2Very high121 Ų12138.8 Ų38.856%0.5619%0.193SC*.  trans-74.8136.7172.3-53.2110.4000110.9F12 H13 I19F12-H17 WeakPolarHBondContact CA-O 3.03Å; H13-H17 PolarHBondContact N-O 2.87Å; H17-I19 PolarHBondContact O-N 3.13Å
18C96.6Very high94.8Very high18 Ų1845.3 Ų45.312%0.12222%0.222CC..EExtended strand (participates in β ladder)trans-72.7118.9170.5-174.20000108.9F12 G20 F38F12-C18 HydrophobicContact CD1-CB 3.97Å; F12-C18 HydrophobicContact CE1-CB 3.7Å; F12-C18 HydrophobicContact CZ-CB 4.35Å; C18-G20 PolarHBondContact SG-O 3.2Å; C18-G20 VanDerWaalsContact SG-O 3.34Å; C18-F38 HydrophobicContact CB-CB 3.82Å; C18-F38 HydrophobicContact CB-CD1 4.24Å; C18-F38 HydrophobicContact CB-CD2 3.53Å; C18-F38 HydrophobicContact CB-CE2 4.14Å; C18-F38 HydrophobicContact CB-CG 3.59Å
19I96.7Very high94.3Very high4 Ų453.9 Ų53.92%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-104.5-8.217858.3167.6000112.7I11 H13 H17 L81 Y106 G119 E120 L121 I122I11-I19 HydrophobicContact CB-CG1 4.24Å; I11-I19 HydrophobicContact CG2-CD1 4.05Å; I11-I19 HydrophobicContact CG2-CG1 3.89Å; I11-I19 VanDerWaalsContact O-CG1 3.32Å; I11-I19 WeakPolarHBondContact O-CG1 3.42Å; I11-I19 PolarHBondContact O-N 3.15Å; H13-I19 HydrophobicContact CB-CD1 4.27Å; H13-I19 HydrophobicContact CB-CG1 4.44Å; H13-I19 HydrophobicContact CB-CG2 3.7Å; H17-I19 PolarHBondContact O-N 3.13Å; I19-L81 HydrophobicContact CD1-CD1 3.89Å; I19-Y106 HydrophobicContact CD1-CE2 4.21Å; I19-G119 WeakPolarHBondContact CG2-O 3.09Å; I19-E120 WeakPolarHBondContact CB-O 3.39Å; I19-E120 WeakPolarHBondContact CG2-O 3.35Å; I19-L121 WeakPolarHBondContact O-CA 3.19Å; I19-I122 HydrophobicContact CD1-CD1 4.31Å; I19-I122 HydrophobicContact CD1-CG1 4.5Å; I19-I122 HydrophobicContact CG1-CD1 4.34Å; I19-I122 WeakPolarHBondContact O-CG1 3.18Å; I19-I122 PolarHBondContact O-N 3.21Å
20G97.1Very high93.8Very high3 Ų355.5 Ų55.53%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-156.6130.4175.200000111.1Y10 I11 C18Y10-G20 CarbonylContact C-O 3.53Å; Y10-G20 WeakPolarHBondContact CA-O 3.33Å; I11-G20 PolarHBondContact N-O 3.25Å; I11-G20 PolarHBondContact O-N 3.18Å; C18-G20 PolarHBondContact SG-O 3.2Å; C18-G20 VanDerWaalsContact SG-O 3.34Å
21Y97.4Very high93.5Very high66 Ų6661.3 Ų61.326%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-130.5123.6171.9176.1-104.8000109N8 L9 Y10 E23 R26 F38N8-Y21 HydrophobicContact CB-CE2 4.02Å; L9-Y21 WeakPolarHBondContact O-CA 3.4Å; Y10-Y21 AromaticContact CD1-CD2 3.46Å; Y10-Y21 HydrophobicContact CD1-CD2 3.46Å; Y10-Y21 VanDerWaalsContact CD1-CD2 3.46Å; Y10-Y21 AromaticContact CD1-CE2 3.99Å; Y10-Y21 HydrophobicContact CD1-CE2 3.99Å; Y10-Y21 AromaticContact CE1-CD2 3.31Å; Y10-Y21 HydrophobicContact CE1-CD2 3.31Å; Y10-Y21 AromaticContact CE1-CE2 3.37Å; Y10-Y21 HydrophobicContact CE1-CE2 3.37Å; Y10-Y21 HydrophobicContact CG-CD2 4.3Å; Y10-Y21 AromaticContact CZ-CE2 3.74Å; Y21-E23 HydrophobicContact CE1-CB 3.94Å; Y21-E23 PolarHBondContact OH-OE2 3.41Å; Y21-R26 PolarHBondContact OH-NH1 3.01Å; Y21-F38 HydrophobicContact CD1-CZ 4.47Å; Y21-F38 AromaticContact CD2-CE1 3.81Å; Y21-F38 HydrophobicContact CD2-CE1 3.81Å; Y21-F38 HydrophobicContact CD2-CZ 4.41Å; Y21-F38 HydrophobicContact CE2-CE1 4.45Å; Y21-F38 AromaticContact CG-CE1 3.84Å; Y21-F38 HydrophobicContact CG-CE1 3.84Å; Y21-F38 AromaticContact CG-CZ 3.97Å; Y21-F38 HydrophobicContact CG-CZ 3.97Å
22Y97.8Very high93.2Very high28 Ų2864.3 Ų64.311%0.1133%0.325CS..EExtended strand (participates in β ladder)trans-130.2128.4-177.5-54-84000108.8N8 L9 I11 F127 K128 L131N8-Y22 CarbonylContact C-O 3.45Å; N8-Y22 WeakPolarHBondContact CA-O 3.32Å; N8-Y22 WeakPolarHBondContact CB-O 3.38Å; L9-Y22 HydrophobicContact CD2-CD2 4.37Å; L9-Y22 PolarHBondContact N-O 3.05Å; L9-Y22 PolarHBondContact O-N 2.82Å; I11-Y22 HydrophobicContact CD1-CE2 4.01Å; Y22-F127 HydrophobicContact CE1-CE1 4.35Å; Y22-F127 AromaticContact CE2-CE1 3.9Å; Y22-F127 HydrophobicContact CE2-CE1 3.9Å; Y22-F127 AromaticContact CZ-CE1 3.57Å; Y22-F127 WeakPolarHBondContact OH-CE1 3.36Å; Y22-K128 HydrophobicContact CE1-CG 4.26Å; Y22-L131 HydrophobicContact CD1-CD2 3.79Å; Y22-L131 HydrophobicContact CD2-CD2 3.4Å; Y22-L131 HydrophobicContact CE1-CD2 4.01Å; Y22-L131 HydrophobicContact CE2-CD2 3.63Å; Y22-L131 HydrophobicContact CG-CD2 3.5Å; Y22-L131 VanDerWaalsContact CG-CD2 3.5Å
23E96.3Very high93.1Very high51 Ų5167.8 Ų67.824%0.23834%0.343CS..EExtended strand (participates in β ladder)trans-121.9138.2-174.3-174.6176.5100.800109.7N8 Y21 R26 R29N8-E23 HydrophobicContact CB-CB 4.45Å; Y21-E23 HydrophobicContact CE1-CB 3.94Å; Y21-E23 PolarHBondContact OH-OE2 3.41Å; E23-R26 HydrophobicContact CG-CB 3.62Å; E23-R26 VanDerWaalsContact OE2-CD 3.24Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-NH1 2.97Å; E23-R29 IonicContact OE1-CZ 3.23Å; E23-R29 VanDerWaalsContact OE1-CZ 3.23Å; E23-R29 IonicContact OE1-NE 2.77Å; E23-R29 PolarHBondContact OE1-NE 2.9Å; E23-R29 IonicContact OE1-NH2 2.81Å; E23-R29 PolarHBondContact OE1-NH2 3.39Å; E23-R29 IonicContact OE2-NE 3.62Å
24W95.5Very high92.9Very high42 Ų4271.1 Ų71.116%0.15937%0.366CS..SBendtrans-126.7-106.8175.5-59.1-85.6000109.6I6 Y7 L9 R26 L131 V135 F141I6-W24 HydrophobicContact CG2-CE3 3.84Å; I6-W24 HydrophobicContact CG2-CZ3 4Å; Y7-W24 PolarHBondContact O-N 3.16Å; L9-W24 HydrophobicContact CB-CH2 3.87Å; L9-W24 HydrophobicContact CB-CZ3 3.72Å; W24-R26 PolarHBondContact O-N 2.97Å; W24-L131 HydrophobicContact CZ2-CG 4.49Å; W24-V135 HydrophobicContact CD2-CG1 4.09Å; W24-V135 HydrophobicContact CE3-CG1 4.21Å; W24-V135 HydrophobicContact CH2-CB 4.21Å; W24-V135 HydrophobicContact CH2-CG1 3.83Å; W24-V135 HydrophobicContact CH2-CG2 3.9Å; W24-V135 HydrophobicContact CZ2-CB 3.89Å; W24-V135 HydrophobicContact CZ2-CG1 3.69Å; W24-V135 HydrophobicContact CZ2-CG2 3.97Å; W24-V135 HydrophobicContact CZ3-CG1 4.08Å; W24-F141 HydrophobicContact CB-CE2 3.58Å; W24-F141 HydrophobicContact CB-CZ 3.8Å; W24-F141 AromaticContact CD1-CE2 3.63Å; W24-F141 AromaticContact CD1-CZ 3.59Å; W24-F141 HydrophobicContact CD2-CE2 4.04Å; W24-F141 AromaticContact CG-CE2 3.46Å; W24-F141 HydrophobicContact CG-CE2 3.46Å; W24-F141 VanDerWaalsContact CG-CE2 3.46Å; W24-F141 AromaticContact CG-CZ 3.79Å; W24-F141 HydrophobicContact CG-CZ 3.79Å
25H93.9Very high92.9Very high79 Ų7971.6 Ų71.637%0.36637%0.374SS..SBendtrans-79.531.2-171.8-56.7126.4000114.1T5 I6 Y7 P27 F141 A142T5-H25 HydrophobicContact CG2-CB 3.9Å; T5-H25 PolarHBondContact OG1-ND1 2.87Å; I6-H25 PolarHBondContact O-N 3.42Å; Y7-H25 VanDerWaalsContact CD1-O 3.31Å; Y7-H25 WeakPolarHBondContact CD1-O 3.48Å; H25-P27 WeakPolarHBondContact O-CD 3.38Å; H25-F141 AromaticContact CE1-CD1 3.74Å; H25-F141 AromaticContact CE1-CE1 3.26Å; H25-F141 WeakPolarHBondContact CE1-CE1 3.38Å; H25-F141 AromaticContact CE1-CE2 3.81Å; H25-F141 AromaticContact CE1-CZ 3.27Å; H25-F141 WeakPolarHBondContact CE1-CZ 2.71Å; H25-F141 AromaticContact ND1-CE2 3.9Å; H25-F141 AromaticContact ND1-CZ 3.79Å; H25-F141 AromaticContact NE2-CE1 3.87Å; H25-F141 AromaticContact NE2-CZ 3.87Å; H25-A142 PolarHBondContact ND1-O 2.81Å
26R92Very high93.1Very high44 Ų4469.8 Ų69.817%0.16637%0.365CS..  trans-71.6108.9179.9-169.9-178.1-173.1173.68.1109.9Y21 E23 W24 K28 E37Y21-R26 PolarHBondContact OH-NH1 3.01Å; E23-R26 HydrophobicContact CG-CB 3.62Å; E23-R26 VanDerWaalsContact OE2-CD 3.24Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-NH1 2.97Å; W24-R26 PolarHBondContact O-N 2.97Å; R26-K28 PolarHBondContact NE-O 3.25Å; R26-K28 PolarHBondContact O-N 3.36Å; R26-E37 IonicContact CZ-OE1 2.71Å; R26-E37 IonicContact NH1-OE1 3.8Å; R26-E37 PolarHBondContact NH1-OE1 3Å; R26-E37 IonicContact NH1-OE2 3.95Å; R26-E37 PolarHBondContact NH1-OE2 2.88Å; R26-E37 IonicContact NH2-OE1 3.15Å; R26-E37 PolarHBondContact NH2-OE1 3.43Å
27P88.6Confident93.4Very high118 Ų11870.1 Ų70.177%0.76636%0.364SS*.SBendtrans-75.8-27.3-17230.5-35000113.1H25H25-P27 WeakPolarHBondContact O-CD 3.38Å
28K89Confident93.5Very high171 Ų17166.4 Ų66.474%0.74335%0.346SS*.SBendtrans-135.6118.7179.6-175.7178.2178.6-178.70109.2R26R26-K28 PolarHBondContact NE-O 3.25Å; R26-K28 PolarHBondContact O-N 3.36Å
29R86.7Confident93.4Very high179 Ų17972.3 Ų72.368%0.67537%0.372SS*.  trans-71.2157.4171.3-71.8-172.9174.1173.50.7111.2E23E23-R29 IonicContact OE1-CZ 3.23Å; E23-R29 VanDerWaalsContact OE1-CZ 3.23Å; E23-R29 IonicContact OE1-NE 2.77Å; E23-R29 PolarHBondContact OE1-NE 2.9Å; E23-R29 IonicContact OE1-NH2 2.81Å; E23-R29 PolarHBondContact OE1-NH2 3.39Å; E23-R29 IonicContact OE2-NE 3.62Å
30A88Confident93.3Very high35 Ų3577.4 Ų77.429%0.28940%0.398SS..  trans-60.6147.117400000110.6I32A30-I32 VanDerWaalsContact C-N 3.27Å; A30-I32 HydrophobicContact CB-CG1 3.89Å
31S90.4Very high93.2Very high129 Ų12977.8 Ų77.890%0.90240%0.4SS*.SBendtrans-83.3-7.5173.554.70000113.1
32I92.8Very high93.1Very high63 Ų6376.7 Ų76.732%0.32340%0.397SS..SBendtrans-95.1162.1176.157.1177.4000109.8A30 E36 E37 L40A30-I32 VanDerWaalsContact C-N 3.27Å; A30-I32 HydrophobicContact CB-CG1 3.89Å; I32-E36 HydrophobicContact CB-CB 4.17Å; I32-E36 WeakPolarHBondContact CB-OE2 3.46Å; I32-E36 HydrophobicContact CD1-CB 4.05Å; I32-E36 HydrophobicContact CG1-CB 4.42Å; I32-E37 HydrophobicContact CD1-CB 3.98Å; I32-E37 HydrophobicContact CG1-CB 4.15Å; I32-L40 HydrophobicContact CD1-CD1 4.45Å
33N93.8Very high92.9Very high72 Ų7277 Ų7739%0.38541%0.408SS..  trans-69.1158.6175.868.167.3000111A35 E36 E37N33-A35 VanDerWaalsContact C-N 3.28Å; N33-A35 PolarHBondContact O-N 2.82Å; N33-A35 WeakPolarHBondContact OD1-CB 3.46Å; N33-A35 PolarHBondContact OD1-N 3.3Å; N33-A35 VanDerWaalsContact OD1-N 3.14Å; N33-E36 PolarHBondContact ND2-OE1 3.05Å; N33-E36 PolarHBondContact O-N 3.14Å; N33-E36 PolarHBondContact OD1-N 3.24Å; N33-E37 PolarHBondContact O-N 3.24Å
34P92.2Very high92.8Very high81 Ų8177.6 Ų77.653%0.52641%0.413SS..Hα-helixtrans-58.4-35.2-176.6-2836.1000114.4E37 F38P34-E37 PolarHBondContact O-N 3.23Å; P34-F38 HydrophobicContact CB-CE2 4.02Å; P34-F38 HydrophobicContact CB-CZ 3.95Å; P34-F38 WeakPolarHBondContact O-CD1 3.39Å; P34-F38 WeakPolarHBondContact O-CD2 3.39Å; P34-F38 WeakPolarHBondContact O-CG 3.25Å; P34-F38 PolarHBondContact O-N 3.38Å
35A92.4Very high92.6Very high57 Ų5775.8 Ų75.847%0.47141%0.407SS..Hα-helixtrans-66.1-44.2-179.400000111.5N33 E37 F38 Q39N33-A35 VanDerWaalsContact C-N 3.28Å; N33-A35 PolarHBondContact O-N 2.82Å; N33-A35 WeakPolarHBondContact OD1-CB 3.46Å; N33-A35 PolarHBondContact OD1-N 3.3Å; N33-A35 VanDerWaalsContact OD1-N 3.14Å; A35-E37 VanDerWaalsContact C-N 3.35Å; A35-F38 PolarHBondContact O-N 3.49Å; A35-Q39 WeakPolarHBondContact O-CG 3.29Å; A35-Q39 PolarHBondContact O-N 3.11Å
36E95Very high92.5Very high93 Ų9375.6 Ų75.644%0.43541%0.411SS..Hα-helixtrans-62.8-40.9173.5-75.1173.8-156.900111.8I32 N33 F38 Q39 L40I32-E36 HydrophobicContact CB-CB 4.17Å; I32-E36 WeakPolarHBondContact CB-OE2 3.46Å; I32-E36 HydrophobicContact CD1-CB 4.05Å; I32-E36 HydrophobicContact CG1-CB 4.42Å; N33-E36 PolarHBondContact ND2-OE1 3.05Å; N33-E36 PolarHBondContact O-N 3.14Å; N33-E36 PolarHBondContact OD1-N 3.24Å; E36-F38 PolarHBondContact O-N 2.97Å; E36-Q39 PolarHBondContact O-N 3.11Å; E36-L40 WeakPolarHBondContact O-CB 3.17Å; E36-L40 PolarHBondContact O-N 3.15Å
37E95.4Very high92.5Very high19 Ų1977.1 Ų77.19%0.08943%0.428CS..Hα-helixtrans-58.8-47.2175.3171.1167.5-152.500111.6Y10 R26 I32 N33 P34 A35 Q39 L40 V41Y10-E37 HydrophobicContact CE1-CG 4.4Å; Y10-E37 PolarHBondContact OH-OE1 3.42Å; R26-E37 IonicContact CZ-OE1 2.71Å; R26-E37 IonicContact NH1-OE1 3.8Å; R26-E37 PolarHBondContact NH1-OE1 3Å; R26-E37 IonicContact NH1-OE2 3.95Å; R26-E37 PolarHBondContact NH1-OE2 2.88Å; R26-E37 IonicContact NH2-OE1 3.15Å; R26-E37 PolarHBondContact NH2-OE1 3.43Å; I32-E37 HydrophobicContact CD1-CB 3.98Å; I32-E37 HydrophobicContact CG1-CB 4.15Å; N33-E37 PolarHBondContact O-N 3.24Å; P34-E37 PolarHBondContact O-N 3.23Å; A35-E37 VanDerWaalsContact C-N 3.35Å; E37-Q39 PolarHBondContact O-N 2.87Å; E37-L40 PolarHBondContact O-N 2.91Å; E37-V41 WeakPolarHBondContact O-CG2 3.23Å; E37-V41 PolarHBondContact O-N 3.1Å
38F96Very high92.6Very high42 Ų4272.5 Ų72.518%0.18440%0.398CS..Hα-helixtrans-65.8-39.7-180-58.2-21.9000112.1Y10 F12 C18 Y21 P34 A35 E36 V41 H42Y10-F38 AromaticContact CD1-CD1 3.84Å; Y10-F38 HydrophobicContact CD1-CD1 3.84Å; Y10-F38 AromaticContact CD1-CE1 4Å; Y10-F38 HydrophobicContact CD1-CE1 4Å; Y10-F38 AromaticContact CE1-CD1 3.72Å; Y10-F38 HydrophobicContact CE1-CD1 3.72Å; Y10-F38 AromaticContact CE1-CE1 3.8Å; Y10-F38 HydrophobicContact CE1-CE1 3.8Å; F12-F38 HydrophobicContact CE1-CB 4.21Å; F12-F38 WeakPolarHBondContact CE1-O 3.46Å; F12-F38 HydrophobicContact CZ-CB 4.49Å; C18-F38 HydrophobicContact CB-CB 3.82Å; C18-F38 HydrophobicContact CB-CD1 4.24Å; C18-F38 HydrophobicContact CB-CD2 3.53Å; C18-F38 HydrophobicContact CB-CE2 4.14Å; C18-F38 HydrophobicContact CB-CG 3.59Å; Y21-F38 HydrophobicContact CD1-CZ 4.47Å; Y21-F38 AromaticContact CD2-CE1 3.81Å; Y21-F38 HydrophobicContact CD2-CE1 3.81Å; Y21-F38 HydrophobicContact CD2-CZ 4.41Å; Y21-F38 HydrophobicContact CE2-CE1 4.45Å; Y21-F38 AromaticContact CG-CE1 3.84Å; Y21-F38 HydrophobicContact CG-CE1 3.84Å; Y21-F38 AromaticContact CG-CZ 3.97Å; Y21-F38 HydrophobicContact CG-CZ 3.97Å; P34-F38 HydrophobicContact CB-CE2 4.02Å; P34-F38 HydrophobicContact CB-CZ 3.95Å; P34-F38 WeakPolarHBondContact O-CD1 3.39Å; P34-F38 WeakPolarHBondContact O-CD2 3.39Å; P34-F38 WeakPolarHBondContact O-CG 3.25Å; P34-F38 PolarHBondContact O-N 3.38Å; A35-F38 PolarHBondContact O-N 3.49Å; E36-F38 PolarHBondContact O-N 2.97Å; F38-V41 PolarHBondContact O-N 2.77Å; F38-H42 WeakPolarHBondContact O-CB 3.21Å; F38-H42 PolarHBondContact O-N 2.88Å
39Q94.8Very high92.5Very high142 Ų14269 Ų6966%0.66438%0.38SS*.Hα-helixtrans-62.7-42.5174.2-74.7177.6-10.900111.8A35 E36 E37 H42 G43A35-Q39 WeakPolarHBondContact O-CG 3.29Å; A35-Q39 PolarHBondContact O-N 3.11Å; E36-Q39 PolarHBondContact O-N 3.11Å; E37-Q39 PolarHBondContact O-N 2.87Å; Q39-H42 PolarHBondContact O-N 3.02Å; Q39-G43 PolarHBondContact O-N 3Å
40L95.4Very high92.6Very high112 Ų11262.4 Ų62.459%0.58636%0.361SS*.Hα-helixtrans-61.7-48177.3-174.3156000111I32 E36 E37 G43 L44I32-L40 HydrophobicContact CD1-CD1 4.45Å; E36-L40 WeakPolarHBondContact O-CB 3.17Å; E36-L40 PolarHBondContact O-N 3.15Å; E37-L40 PolarHBondContact O-N 2.91Å; L40-G43 PolarHBondContact O-N 2.83Å; L40-L44 PolarHBondContact O-N 3.45Å
41V95Very high92.6Very high10 Ų1066.3 Ų66.36%0.06137%0.372CS..Hα-helixtrans-62-46.7178174.90000110.4Y10 F12 E37 F38 G43 L44 L45 L72 V84Y10-V41 HydrophobicContact CD2-CG1 4.11Å; Y10-V41 HydrophobicContact CE1-CG2 4.33Å; Y10-V41 HydrophobicContact CE2-CG1 4.22Å; Y10-V41 HydrophobicContact CE2-CG2 4.01Å; Y10-V41 HydrophobicContact CG-CG1 4.45Å; F12-V41 HydrophobicContact CE2-CB 4.4Å; F12-V41 HydrophobicContact CE2-CG1 3.73Å; F12-V41 HydrophobicContact CZ-CB 4.04Å; F12-V41 HydrophobicContact CZ-CG1 3.88Å; E37-V41 WeakPolarHBondContact O-CG2 3.23Å; E37-V41 PolarHBondContact O-N 3.1Å; F38-V41 PolarHBondContact O-N 2.77Å; V41-G43 VanDerWaalsContact C-N 3.35Å; V41-G43 PolarHBondContact O-N 3.41Å; V41-L44 WeakPolarHBondContact O-CB 3.45Å; V41-L44 PolarHBondContact O-N 2.86Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 2.92Å; V41-L72 HydrophobicContact CG1-CD1 4.49Å; V41-V84 HydrophobicContact CG1-CG1 4.26Å
42H94.2Very high92.4Very high44 Ų4461.5 Ų61.520%0.20434%0.336CS..Hα-helixtrans-62.4-40177.9-176.1-98.5000112.8F12 G16 F38 Q39 L44 L45 T46F12-H42 HydrophobicContact CD1-CB 4.25Å; F12-H42 HydrophobicContact CE1-CB 3.88Å; F12-H42 HydrophobicContact CZ-CB 4.3Å; G16-H42 VanDerWaalsContact CA-CD2 3.42Å; G16-H42 WeakPolarHBondContact CA-CD2 3.41Å; G16-H42 WeakPolarHBondContact CA-NE2 3.33Å; F38-H42 WeakPolarHBondContact O-CB 3.21Å; F38-H42 PolarHBondContact O-N 2.88Å; Q39-H42 PolarHBondContact O-N 3.02Å; H42-L44 VanDerWaalsContact C-N 3.33Å; H42-L44 PolarHBondContact O-N 3.19Å; H42-L45 PolarHBondContact O-N 3.28Å; H42-T46 WeakPolarHBondContact O-CB 3.44Å; H42-T46 PolarHBondContact O-N 2.91Å; H42-T46 PolarHBondContact O-OG1 2.95Å
43G94.8Very high92.1Very high33 Ų3363.9 Ų63.934%0.3435%0.346SS..Hα-helixtrans-62.4-39.3174.800000112.6Q39 L40 V41 T46 S47Q39-G43 PolarHBondContact O-N 3Å; L40-G43 PolarHBondContact O-N 2.83Å; V41-G43 VanDerWaalsContact C-N 3.35Å; V41-G43 PolarHBondContact O-N 3.41Å; G43-T46 PolarHBondContact O-N 2.92Å; G43-S47 PolarHBondContact O-N 3.32Å; G43-S47 PolarHBondContact O-OG 3.07Å
44L93.9Very high91.9Very high64 Ų6468 Ų6834%0.33536%0.36SS..Hα-helixtrans-62.1-48.7172.2176.363.3000111.3L40 V41 H42 T46 S47 V48 L72L40-L44 PolarHBondContact O-N 3.45Å; V41-L44 WeakPolarHBondContact O-CB 3.45Å; V41-L44 PolarHBondContact O-N 2.86Å; H42-L44 VanDerWaalsContact C-N 3.33Å; H42-L44 PolarHBondContact O-N 3.19Å; L44-T46 VanDerWaalsContact C-N 3.28Å; L44-T46 PolarHBondContact O-N 3.49Å; L44-S47 WeakPolarHBondContact O-CB 3.46Å; L44-S47 PolarHBondContact O-N 3.05Å; L44-S47 VanDerWaalsContact O-N 3.09Å; L44-V48 HydrophobicContact CD1-CG2 4.18Å; L44-V48 HydrophobicContact CG-CG2 4.38Å; L44-V48 VanDerWaalsContact O-CG2 3.3Å; L44-V48 WeakPolarHBondContact O-CG2 3.42Å; L44-V48 PolarHBondContact O-N 3.42Å; L44-L72 HydrophobicContact CD2-CD1 4.35Å
45L91.3Very high91.7Very high5 Ų569.9 Ų69.93%0.02637%0.365CS..Hα-helixtrans-58.5-42.3177.9-63.1176.6000111.9F12 V41 H42 S47 V48 R49 L72 Y74 K82 V84F12-L45 HydrophobicContact CD2-CD1 4.05Å; F12-L45 HydrophobicContact CE2-CD1 4.19Å; V41-L45 WeakPolarHBondContact O-CG 3.33Å; V41-L45 PolarHBondContact O-N 2.92Å; H42-L45 PolarHBondContact O-N 3.28Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.34Å; L45-V48 PolarHBondContact O-N 3.29Å; L45-R49 WeakPolarHBondContact O-CB 3.31Å; L45-R49 PolarHBondContact O-N 2.96Å; L45-L72 HydrophobicContact CD2-CD2 3.98Å; L45-Y74 HydrophobicContact CB-CE2 4.49Å; L45-Y74 HydrophobicContact CD1-CD2 4.25Å; L45-Y74 HydrophobicContact CD1-CE2 4.09Å; L45-Y74 HydrophobicContact CD2-CD2 3.49Å; L45-Y74 VanDerWaalsContact CD2-CD2 3.49Å; L45-Y74 HydrophobicContact CD2-CE2 3.94Å; L45-Y74 HydrophobicContact CD2-CG 4.1Å; L45-Y74 HydrophobicContact CG-CD2 4.36Å; L45-Y74 HydrophobicContact CG-CE2 4.38Å; L45-K82 HydrophobicContact CD1-CD 4.17Å; L45-V84 HydrophobicContact CD1-CG2 3.45Å; L45-V84 VanDerWaalsContact CD1-CG2 3.45Å; L45-V84 HydrophobicContact CD2-CG1 4.37Å; L45-V84 HydrophobicContact CD2-CG2 3.95Å; L45-V84 HydrophobicContact CG-CG2 4.24Å
46T91Very high91.4Very high74 Ų7468.8 Ų68.845%0.45435%0.354SS..Hα-helixtrans-60.3-42.4176.6-57.50000110.8H42 G43 L44 R49 S50H42-T46 WeakPolarHBondContact O-CB 3.44Å; H42-T46 PolarHBondContact O-N 2.91Å; H42-T46 PolarHBondContact O-OG1 2.95Å; G43-T46 PolarHBondContact O-N 2.92Å; L44-T46 VanDerWaalsContact C-N 3.28Å; L44-T46 PolarHBondContact O-N 3.49Å; T46-R49 PolarHBondContact O-N 3.37Å; T46-S50 PolarHBondContact O-N 3.47Å
47S92.7Very high90.9Very high76 Ų7670.3 Ų70.353%0.53137%0.372SS..Hα-helixtrans-66.5-44.1177.3-570000112.2G43 L44 L45 R49 S50 F51G43-S47 PolarHBondContact O-N 3.32Å; G43-S47 PolarHBondContact O-OG 3.07Å; L44-S47 WeakPolarHBondContact O-CB 3.46Å; L44-S47 PolarHBondContact O-N 3.05Å; L44-S47 VanDerWaalsContact O-N 3.09Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.34Å; S47-R49 VanDerWaalsContact C-N 3.33Å; S47-R49 PolarHBondContact O-N 2.82Å; S47-S50 PolarHBondContact O-N 2.89Å; S47-F51 WeakPolarHBondContact O-CB 3.42Å; S47-F51 PolarHBondContact O-N 3.38Å
48V89.6Confident90.2Very high22 Ų2275 Ų7513%0.13340%0.397CS..Hα-helixtrans-61.1-43.1176.3171.80000110.9L44 L45 F51 N52 C63 V65L44-V48 HydrophobicContact CD1-CG2 4.18Å; L44-V48 HydrophobicContact CG-CG2 4.38Å; L44-V48 VanDerWaalsContact O-CG2 3.3Å; L44-V48 WeakPolarHBondContact O-CG2 3.42Å; L44-V48 PolarHBondContact O-N 3.42Å; L45-V48 PolarHBondContact O-N 3.29Å; V48-F51 WeakPolarHBondContact O-CB 3.3Å; V48-F51 PolarHBondContact O-N 3.4Å; V48-N52 PolarHBondContact O-N 2.81Å; V48-N52 PolarHBondContact O-ND2 3.05Å; V48-C63 HydrophobicContact CG1-CB 4.34Å; V48-V65 HydrophobicContact CG1-CG2 4.3Å; V48-V65 HydrophobicContact CG2-CG2 3.44Å; V48-V65 VanDerWaalsContact CG2-CG2 3.44Å
49R86.2Confident88.9Confident98 Ų9874.3 Ų74.337%0.3740%0.402SS..Hα-helixtrans-62-50.2176-179.4171.4176.3166.6-6.5111.4L45 T46 S47 F51 N52 E53 E76L45-R49 WeakPolarHBondContact O-CB 3.31Å; L45-R49 PolarHBondContact O-N 2.96Å; T46-R49 PolarHBondContact O-N 3.37Å; S47-R49 VanDerWaalsContact C-N 3.33Å; S47-R49 PolarHBondContact O-N 2.82Å; R49-F51 PolarHBondContact O-N 3.26Å; R49-N52 PolarHBondContact O-N 2.86Å; R49-N52 VanDerWaalsContact O-N 3.13Å; R49-E53 HydrophobicContact CG-CG 4.32Å; R49-E53 WeakPolarHBondContact CG-OE1 3.49Å; R49-E53 IonicContact CZ-OE1 2.78Å; R49-E53 IonicContact NE-OE1 3.41Å; R49-E53 PolarHBondContact NE-OE1 3.01Å; R49-E53 IonicContact NH2-OE1 3.94Å; R49-E53 PolarHBondContact NH2-OE1 2.78Å; R49-E53 WeakPolarHBondContact O-CG 3.36Å; R49-E53 PolarHBondContact O-N 2.79Å; R49-E76 IonicContact CZ-OE2 3.17Å; R49-E76 IonicContact NH1-OE1 2.77Å; R49-E76 PolarHBondContact NH1-OE1 3.44Å; R49-E76 IonicContact NH1-OE2 2.7Å; R49-E76 PolarHBondContact NH1-OE2 3.44Å; R49-E76 VanDerWaalsContact NH1-OE2 3.17Å
50S89.4Confident87.6Confident40 Ų4072.7 Ų72.728%0.2840%0.404SS..Hα-helixtrans-61.2-34.4176.9-179.40000112.1T46 S47 K54T46-S50 PolarHBondContact O-N 3.47Å; S47-S50 PolarHBondContact O-N 2.89Å; S50-K54 VanDerWaalsContact O-CB 3.32Å; S50-K54 WeakPolarHBondContact O-CB 3.33Å; S50-K54 WeakPolarHBondContact O-CG 3.47Å; S50-K54 PolarHBondContact O-N 2.82Å; S50-K54 WeakPolarHBondContact OG-CE 3.44Å; S50-K54 PolarHBondContact OG-NZ 3.46Å
51F88.5Confident86.4Confident117 Ų11774.9 Ų74.951%0.51340%0.404SS..Hα-helixtrans-63.2-50173.9177.2-86.1000110.3S47 V48 R49 K54 L55 S56S47-F51 WeakPolarHBondContact O-CB 3.42Å; S47-F51 PolarHBondContact O-N 3.38Å; V48-F51 WeakPolarHBondContact O-CB 3.3Å; V48-F51 PolarHBondContact O-N 3.4Å; R49-F51 PolarHBondContact O-N 3.26Å; F51-K54 PolarHBondContact O-N 3.41Å; F51-L55 HydrophobicContact CD2-CB 4.35Å; F51-L55 HydrophobicContact CD2-CD1 3.63Å; F51-L55 HydrophobicContact CE2-CB 4.24Å; F51-L55 HydrophobicContact CE2-CD1 3.78Å; F51-L55 HydrophobicContact CG-CD1 4.44Å; F51-L55 HydrophobicContact CZ-CB 4.41Å; F51-L55 WeakPolarHBondContact O-CA 3.44Å; F51-L55 VanDerWaalsContact O-CB 3.26Å; F51-L55 WeakPolarHBondContact O-CB 3.38Å; F51-L55 PolarHBondContact O-N 3.17Å; F51-S56 PolarHBondContact O-N 2.6Å
52N85.9Confident85.3Confident27 Ų2778.8 Ų78.814%0.14442%0.422CS..Hα-helixtrans-64.8-43.9-178.8-72.9-37.1000113.1V48 R49 K54 S56 C63V48-N52 PolarHBondContact O-N 2.81Å; V48-N52 PolarHBondContact O-ND2 3.05Å; R49-N52 PolarHBondContact O-N 2.86Å; R49-N52 VanDerWaalsContact O-N 3.13Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 2.97Å; N52-S56 WeakPolarHBondContact O-CB 3.35Å; N52-S56 PolarHBondContact O-N 2.87Å; N52-C63 PolarHBondContact ND2-SG 2.98Å
53E86.3Confident84.6Confident113 Ų11377.9 Ų77.953%0.52842%0.42SS..Hα-helixtrans-64.1-33.2-179.2-72.4173.4173.500112.4R49R49-E53 HydrophobicContact CG-CG 4.32Å; R49-E53 WeakPolarHBondContact CG-OE1 3.49Å; R49-E53 IonicContact CZ-OE1 2.78Å; R49-E53 IonicContact NE-OE1 3.41Å; R49-E53 PolarHBondContact NE-OE1 3.01Å; R49-E53 IonicContact NH2-OE1 3.94Å; R49-E53 PolarHBondContact NH2-OE1 2.78Å; R49-E53 WeakPolarHBondContact O-CG 3.36Å; R49-E53 PolarHBondContact O-N 2.79Å
54K90.1Very high84.2Confident160 Ų16078.7 Ų78.770%0.69642%0.421SS*.Hα-helixtrans-101.6-28.8-173.2-63.2175.7-176.41640114S50 F51 N52S50-K54 VanDerWaalsContact O-CB 3.32Å; S50-K54 WeakPolarHBondContact O-CB 3.33Å; S50-K54 WeakPolarHBondContact O-CG 3.47Å; S50-K54 PolarHBondContact O-N 2.82Å; S50-K54 WeakPolarHBondContact OG-CE 3.44Å; S50-K54 PolarHBondContact OG-NZ 3.46Å; F51-K54 PolarHBondContact O-N 3.41Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 2.97Å
55L88.7Confident84Confident119 Ų11978 Ų7862%0.62342%0.419SS*.Hα-helixtrans-128.1-14.7-166.4-55.1175.3000113.7F51 P57F51-L55 HydrophobicContact CD2-CB 4.35Å; F51-L55 HydrophobicContact CD2-CD1 3.63Å; F51-L55 HydrophobicContact CE2-CB 4.24Å; F51-L55 HydrophobicContact CE2-CD1 3.78Å; F51-L55 HydrophobicContact CG-CD1 4.44Å; F51-L55 HydrophobicContact CZ-CB 4.41Å; F51-L55 WeakPolarHBondContact O-CA 3.44Å; F51-L55 VanDerWaalsContact O-CB 3.26Å; F51-L55 WeakPolarHBondContact O-CB 3.38Å; F51-L55 PolarHBondContact O-N 3.17Å; L55-P57 WeakPolarHBondContact O-CD 3.38Å
56S85.1Confident84Confident34 Ų3480.6 Ų80.624%0.23844%0.438CS..  trans-69.8123.4176.3177.90000109.8F51 N52 L58 G59F51-S56 PolarHBondContact O-N 2.6Å; N52-S56 WeakPolarHBondContact O-CB 3.35Å; N52-S56 PolarHBondContact O-N 2.87Å; S56-L58 PolarHBondContact O-N 3.01Å; S56-L58 VanDerWaalsContact O-N 3.15Å; S56-L58 PolarHBondContact OG-N 3.09Å; S56-G59 PolarHBondContact OG-O 3.43Å
57P83.9Confident83.9Confident125 Ų12580.6 Ų80.681%0.81244%0.438SS*.THydrogen-bonded Turntrans-68.6-12.917726.3-31.6000112.8L55L55-P57 WeakPolarHBondContact O-CD 3.38Å
58L81.9Confident83.5Confident118 Ų11885.7 Ų85.762%0.61846%0.455SS*.THydrogen-bonded Turntrans-116.28.8-171.7-56.5172.4000113.9S56S56-L58 PolarHBondContact O-N 3.01Å; S56-L58 VanDerWaalsContact O-N 3.15Å; S56-L58 PolarHBondContact OG-N 3.09Å
59G69.1Low83.4Confident28 Ų2892.8 Ų92.829%0.28948%0.484SS..  trans75.6-173.6-178.500000114.4S56S56-G59 PolarHBondContact OG-O 3.43Å
60P67Low83.7Confident108 Ų10890.5 Ų90.570%0.70148%0.479SS*.  trans-75.4129.1-176.329.1-32.6000111.5
61R68.9Low84Confident157 Ų15791.7 Ų91.759%0.59248%0.478SS*.  trans-137.2172.4171.1-61-165.4-125.9-102.621.1110.2C63R61-C63 PolarHBondContact O-N 3.43Å; R61-C63 PolarHBondContact O-SG 3.49Å
62Q72Confident84.3Confident92 Ų9287 Ų8743%0.4346%0.458SS..  trans-52.5139.1159.5-81.7178.8-44.600109.1F75 E95Q62-F75 HydrophobicContact CG-CD2 4.23Å; Q62-E95 PolarHBondContact NE2-O 2.93Å; Q62-E95 VanDerWaalsContact NE2-O 3.1Å
63C80.1Confident84.8Confident25 Ų2585.8 Ų85.817%0.16945%0.452CS..EExtended strand (participates in β ladder)trans-131.5152.4-173.1-69.70000110.4V48 N52 R61 Y74V48-C63 HydrophobicContact CG1-CB 4.34Å; N52-C63 PolarHBondContact ND2-SG 2.98Å; R61-C63 PolarHBondContact O-N 3.43Å; R61-C63 PolarHBondContact O-SG 3.49Å; C63-Y74 WeakPolarHBondContact O-CB 3.48Å; C63-Y74 PolarHBondContact O-N 3.14Å
64S87.4Confident85.1Confident51 Ų5181.6 Ų81.636%0.35743%0.431SS..EExtended strand (participates in β ladder)trans-127.9144.6163.962.50000109.4L72S64-L72 CarbonylContact C-O 3.5Å; S64-L72 WeakPolarHBondContact CA-O 3.48Å
65V89.3Confident85.3Confident49 Ų4975.3 Ų75.330%0.29740%0.404SS..EExtended strand (participates in β ladder)trans-109.4118.9171.7-178.70000107V48 R71 L72V48-V65 HydrophobicContact CG1-CG2 4.3Å; V48-V65 HydrophobicContact CG2-CG2 3.44Å; V48-V65 VanDerWaalsContact CG2-CG2 3.44Å; V65-R71 WeakPolarHBondContact O-CA 3.04Å; V65-L72 PolarHBondContact N-O 3.28Å; V65-L72 PolarHBondContact O-N 3.36Å
66S91Very high85.5Confident60 Ų6072 Ų7242%0.4239%0.385SS..EExtended strand (participates in β ladder)trans-105.8134.8178.7-57.60000110.3R71S66-R71 WeakPolarHBondContact OG-CG 3.4Å; S66-R71 PolarHBondContact OG-NE 3.32Å
67T88.4Confident85.9Confident73 Ų7370.9 Ų70.945%0.44838%0.377SS..  trans-97.1-175.1161.574.20000109.2K69 N70 L89T67-K69 PolarHBondContact O-N 2.81Å; T67-K69 PolarHBondContact OG1-N 2.95Å; T67-N70 WeakPolarHBondContact CG2-OD1 3.5Å; T67-N70 PolarHBondContact N-O 2.99Å; T67-N70 PolarHBondContact OG1-N 3.21Å; T67-N70 VanDerWaalsContact OG1-N 3.07Å; T67-N70 PolarHBondContact OG1-O 3.34Å; T67-N70 PolarHBondContact OG1-OD1 3.43Å; T67-L89 WeakPolarHBondContact O-CD2 3.26Å
68M85.6Confident86.2Confident184 Ų18470.3 Ų70.391%0.90638%0.383SS*.SBendtrans-70.5-7.4170.2-66.3-177.7176.700113.6L89M68-L89 WeakPolarHBondContact O-CD1 3.26Å
69K87.6Confident86.7Confident171 Ų17169.2 Ų69.274%0.74338%0.381SS*.SBendtrans-124.2-26.8-171.7-65.1-175.4179.6178.90114.5T67T67-K69 PolarHBondContact O-N 2.81Å; T67-K69 PolarHBondContact OG1-N 2.95Å
70N91.8Very high87.8Confident49 Ų4969.8 Ų69.826%0.26238%0.38SS..  trans-151.9165.5-175.364.34.5000111.1Y7 T67 N86 T87 L89Y7-N70 HydrophobicContact CE2-CB 4.16Å; T67-N70 WeakPolarHBondContact CG2-OD1 3.5Å; T67-N70 PolarHBondContact N-O 2.99Å; T67-N70 PolarHBondContact OG1-N 3.21Å; T67-N70 VanDerWaalsContact OG1-N 3.07Å; T67-N70 PolarHBondContact OG1-O 3.34Å; T67-N70 PolarHBondContact OG1-OD1 3.43Å; N70-N86 PolarHBondContact ND2-OD1 2.81Å; N70-T87 CarbonylContact C-O 3.57Å; N70-T87 VanDerWaalsContact CA-O 3.31Å; N70-T87 WeakPolarHBondContact CA-O 3.36Å; N70-T87 VanDerWaalsContact CB-O 3.3Å; N70-T87 WeakPolarHBondContact CB-O 3.36Å; N70-L89 WeakPolarHBondContact O-CD2 3.4Å
71R94.9Very high89.1Confident65 Ų6564.9 Ų64.925%0.24535%0.349CS..EExtended strand (participates in β ladder)trans-124.6132.6173.2-174.1174.3-67.5157.19.3109.6V65 S66 H73 N86 T87 L89V65-R71 WeakPolarHBondContact O-CA 3.04Å; S66-R71 WeakPolarHBondContact OG-CG 3.4Å; S66-R71 PolarHBondContact OG-NE 3.32Å; R71-H73 WeakPolarHBondContact CD-CE1 3.28Å; R71-H73 WeakPolarHBondContact CD-NE2 3.41Å; R71-N86 WeakPolarHBondContact O-CA 3.27Å; R71-T87 PolarHBondContact N-O 2.98Å; R71-T87 PolarHBondContact O-N 2.88Å; R71-L89 HydrophobicContact CB-CD2 4.21Å
72L95.7Very high90.4Very high20 Ų2058 Ų5811%0.10532%0.323CS..EExtended strand (participates in β ladder)trans-104.4112.9172.4-174.2143.6000108.2V41 L44 L45 S64 V65 V84 M85V41-L72 HydrophobicContact CG1-CD1 4.49Å; L44-L72 HydrophobicContact CD2-CD1 4.35Å; L45-L72 HydrophobicContact CD2-CD2 3.98Å; S64-L72 CarbonylContact C-O 3.5Å; S64-L72 WeakPolarHBondContact CA-O 3.48Å; V65-L72 PolarHBondContact N-O 3.28Å; V65-L72 PolarHBondContact O-N 3.36Å; L72-V84 HydrophobicContact CD1-CG1 3.76Å; L72-V84 HydrophobicContact CD2-CG1 3.44Å; L72-V84 VanDerWaalsContact CD2-CG1 3.44Å; L72-V84 HydrophobicContact CG-CG1 3.48Å; L72-V84 VanDerWaalsContact CG-CG1 3.48Å; L72-M85 WeakPolarHBondContact CA-O 3.5Å
73H95.3Very high91.6Very high1 Ų153.7 Ų53.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-95.3138.1-179.6-59.1-96.9000109.9R71 V84 M85 T87 I94 E95 L98R71-H73 WeakPolarHBondContact CD-CE1 3.28Å; R71-H73 WeakPolarHBondContact CD-NE2 3.41Å; H73-V84 CarbonylContact O-C 3.57Å; H73-V84 VanDerWaalsContact O-CA 3.27Å; H73-V84 WeakPolarHBondContact O-CA 3.33Å; H73-M85 PolarHBondContact CD2-O 3.18Å; H73-M85 PolarHBondContact N-O 2.97Å; H73-M85 PolarHBondContact O-N 3.13Å; H73-T87 PolarHBondContact CD2-OG1 2.77Å; H73-T87 PolarHBondContact NE2-OG1 2.87Å; H73-I94 HydrophobicContact CB-CB 4.38Å; H73-I94 HydrophobicContact CB-CG2 3.61Å; H73-I94 VanDerWaalsContact CG-CG2 3.46Å; H73-E95 IonicContact CE1-OE1 3.79Å; H73-E95 IonicContact ND1-OE1 3.48Å; H73-E95 PolarHBondContact ND1-OE1 3.47Å; H73-E95 IonicContact ND1-OE2 3.92Å; H73-L98 HydrophobicContact CB-CD1 3.88Å
74Y93Very high92.4Very high24 Ų2452.5 Ų52.59%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-129126.2-173.4171-107.8000112L45 C63 E76 K82 V84L45-Y74 HydrophobicContact CB-CE2 4.49Å; L45-Y74 HydrophobicContact CD1-CD2 4.25Å; L45-Y74 HydrophobicContact CD1-CE2 4.09Å; L45-Y74 HydrophobicContact CD2-CD2 3.49Å; L45-Y74 VanDerWaalsContact CD2-CD2 3.49Å; L45-Y74 HydrophobicContact CD2-CE2 3.94Å; L45-Y74 HydrophobicContact CD2-CG 4.1Å; L45-Y74 HydrophobicContact CG-CD2 4.36Å; L45-Y74 HydrophobicContact CG-CE2 4.38Å; C63-Y74 WeakPolarHBondContact O-CB 3.48Å; C63-Y74 PolarHBondContact O-N 3.14Å; Y74-E76 HydrophobicContact CE1-CB 3.91Å; Y74-E76 HydrophobicContact CE2-CB 4.24Å; Y74-E76 WeakPolarHBondContact OH-CB 3.43Å; Y74-E76 PolarHBondContact OH-OE2 3.28Å; Y74-K82 HydrophobicContact CE2-CB 3.86Å; Y74-K82 HydrophobicContact CE2-CD 3.88Å; Y74-K82 HydrophobicContact CE2-CG 3.69Å; Y74-K82 VanDerWaalsContact OH-CE 3.31Å; Y74-K82 WeakPolarHBondContact OH-CE 3.47Å; Y74-V84 HydrophobicContact CD2-CG2 4.19Å
75F94.7Very high92.9Very high29 Ų2950 Ų5013%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-126.4128.3170.2170.3-118.1000110Q62 T77 K82 F83 L98 P99 Y102Q62-F75 HydrophobicContact CG-CD2 4.23Å; F75-T77 HydrophobicContact CE1-CG2 3.71Å; F75-T77 HydrophobicContact CZ-CG2 3.94Å; F75-K82 CarbonylContact O-C 3.55Å; F75-K82 WeakPolarHBondContact O-CA 3.41Å; F75-F83 HydrophobicContact CD1-CB 4.39Å; F75-F83 AromaticContact CD1-CD2 3.79Å; F75-F83 HydrophobicContact CD1-CD2 3.79Å; F75-F83 HydrophobicContact CD1-CG 4.39Å; F75-F83 HydrophobicContact CE1-CD2 4.22Å; F75-F83 PolarHBondContact N-O 2.82Å; F75-F83 PolarHBondContact O-N 3.46Å; F75-L98 HydrophobicContact CB-CB 3.65Å; F75-L98 HydrophobicContact CB-CD1 3.96Å; F75-L98 HydrophobicContact CB-CG 4.42Å; F75-L98 HydrophobicContact CD1-CB 4.26Å; F75-L98 HydrophobicContact CG-CB 4.2Å; F75-P99 HydrophobicContact CD1-CG 4.46Å; F75-P99 HydrophobicContact CD2-CG 3.99Å; F75-P99 HydrophobicContact CE1-CB 4.35Å; F75-P99 HydrophobicContact CE1-CG 4.44Å; F75-P99 HydrophobicContact CE2-CB 4.34Å; F75-P99 HydrophobicContact CE2-CG 3.96Å; F75-P99 HydrophobicContact CG-CG 4.25Å; F75-P99 HydrophobicContact CZ-CB 4.11Å; F75-P99 HydrophobicContact CZ-CG 4.19Å; F75-Y102 HydrophobicContact CE1-CD1 4.31Å; F75-Y102 HydrophobicContact CE1-CG 4.16Å; F75-Y102 HydrophobicContact CZ-CD1 4.5Å
76E93.3Very high93.2Very high48 Ų4848.6 Ų48.622%0.22427%0.268CS..EExtended strand (participates in β ladder)trans-120131.3174.7-178.2171-154.700109.9R49 Y74 S80 L81 K82R49-E76 IonicContact CZ-OE2 3.17Å; R49-E76 IonicContact NH1-OE1 2.77Å; R49-E76 PolarHBondContact NH1-OE1 3.44Å; R49-E76 IonicContact NH1-OE2 2.7Å; R49-E76 PolarHBondContact NH1-OE2 3.44Å; R49-E76 VanDerWaalsContact NH1-OE2 3.17Å; Y74-E76 HydrophobicContact CE1-CB 3.91Å; Y74-E76 HydrophobicContact CE2-CB 4.24Å; Y74-E76 WeakPolarHBondContact OH-CB 3.43Å; Y74-E76 PolarHBondContact OH-OE2 3.28Å; E76-S80 WeakPolarHBondContact OE1-CA 3.39Å; E76-S80 WeakPolarHBondContact OE1-CB 3.43Å; E76-S80 PolarHBondContact OE1-OG 2.7Å; E76-L81 WeakPolarHBondContact CA-O 3.27Å; E76-K82 HydrophobicContact CB-CG 4.2Å; E76-K82 HydrophobicContact CG-CG 3.99Å; E76-K82 WeakPolarHBondContact OE1-CE 3.5Å; E76-K82 IonicContact OE1-NZ 3.42Å; E76-K82 PolarHBondContact OE1-NZ 2.93Å
77T93.6Very high93.5Very high12 Ų1245.7 Ų45.77%0.07425%0.248CC..  trans-81.3165.3175.962.90000111.1F75 T79 S80 L81 F83 Y102F75-T77 HydrophobicContact CE1-CG2 3.71Å; F75-T77 HydrophobicContact CZ-CG2 3.94Å; T77-T79 PolarHBondContact O-N 3.44Å; T77-T79 VanDerWaalsContact O-N 3.11Å; T77-T79 PolarHBondContact OG1-OG1 2.9Å; T77-S80 WeakPolarHBondContact O-CA 3.35Å; T77-S80 PolarHBondContact O-N 2.86Å; T77-L81 HydrophobicContact CG2-CB 4.35Å; T77-L81 PolarHBondContact N-O 2.86Å; T77-L81 VanDerWaalsContact OG1-CB 3.3Å; T77-L81 WeakPolarHBondContact OG1-CB 3.36Å; T77-L81 PolarHBondContact OG1-N 2.71Å; T77-L81 VanDerWaalsContact OG1-N 3.1Å; T77-L81 PolarHBondContact OG1-O 2.81Å; T77-F83 HydrophobicContact CG2-CE2 4.23Å; T77-Y102 HydrophobicContact CG2-CD1 3.96Å; T77-Y102 HydrophobicContact CG2-CD2 3.7Å; T77-Y102 HydrophobicContact CG2-CE1 3.99Å; T77-Y102 HydrophobicContact CG2-CE2 3.71Å; T77-Y102 HydrophobicContact CG2-CG 3.82Å
78A90.6Very high93.8Very high113 Ų11343.5 Ų43.593%0.93423%0.233SC*.THydrogen-bonded Turntrans-59.2-23.2174.800000113.6S80A78-S80 VanDerWaalsContact C-N 3.28Å
79T91.5Very high94.1Very high94 Ų9437.5 Ų37.558%0.57721%0.205SC*.THydrogen-bonded Turntrans-90.712.5175.457.30000112.9P14 T77 L81P14-T79 WeakPolarHBondContact CG-O 3.32Å; T77-T79 PolarHBondContact O-N 3.44Å; T77-T79 VanDerWaalsContact O-N 3.11Å; T77-T79 PolarHBondContact OG1-OG1 2.9Å; T79-L81 PolarHBondContact O-N 2.8Å
80S91.9Very high94.4Very high40 Ų4031.9 Ų31.928%0.2819%0.19SC..  trans64.414.9179-63.40000116.1E76 T77 A78 K82E76-S80 WeakPolarHBondContact OE1-CA 3.39Å; E76-S80 WeakPolarHBondContact OE1-CB 3.43Å; E76-S80 PolarHBondContact OE1-OG 2.7Å; T77-S80 WeakPolarHBondContact O-CA 3.35Å; T77-S80 PolarHBondContact O-N 2.86Å; A78-S80 VanDerWaalsContact C-N 3.28Å; S80-K82 PolarHBondContact O-NZ 3.09Å
81L94.9Very high94.5Very high6 Ų629.7 Ų29.73%0.03118%0.179CC..  trans-68.8132.5165.4-173.375.5000108.9I11 F12 I19 E76 T77 T79 F83 Y102 Y106I11-L81 HydrophobicContact CG2-CD1 4Å; I11-L81 HydrophobicContact CG2-CG 4.35Å; F12-L81 WeakPolarHBondContact O-CD1 3.49Å; I19-L81 HydrophobicContact CD1-CD1 3.89Å; E76-L81 WeakPolarHBondContact CA-O 3.27Å; T77-L81 HydrophobicContact CG2-CB 4.35Å; T77-L81 PolarHBondContact N-O 2.86Å; T77-L81 VanDerWaalsContact OG1-CB 3.3Å; T77-L81 WeakPolarHBondContact OG1-CB 3.36Å; T77-L81 PolarHBondContact OG1-N 2.71Å; T77-L81 VanDerWaalsContact OG1-N 3.1Å; T77-L81 PolarHBondContact OG1-O 2.81Å; T79-L81 PolarHBondContact O-N 2.8Å; L81-F83 HydrophobicContact CD2-CE2 3.47Å; L81-F83 VanDerWaalsContact CD2-CE2 3.47Å; L81-F83 HydrophobicContact CD2-CZ 3.56Å; L81-F83 HydrophobicContact CG-CE2 3.86Å; L81-F83 HydrophobicContact CG-CZ 4.27Å; L81-Y102 HydrophobicContact CD2-CD2 4.15Å; L81-Y102 HydrophobicContact CD2-CE2 4.24Å; L81-Y106 HydrophobicContact CD1-CE2 4.3Å; L81-Y106 HydrophobicContact CD2-CD1 3.73Å; L81-Y106 HydrophobicContact CD2-CD2 4.05Å; L81-Y106 HydrophobicContact CD2-CE1 3.4Å; L81-Y106 VanDerWaalsContact CD2-CE1 3.4Å; L81-Y106 HydrophobicContact CD2-CE2 3.71Å; L81-Y106 HydrophobicContact CD2-CG 4.06Å
82K95.4Very high94.4Very high13 Ų1332 Ų326%0.05719%0.191CC..EExtended strand (participates in β ladder)trans-118.9132.2-173.5-60.1165176.364.80110.8I11 F12 L45 Y74 F75 E76 S80I11-K82 CarbonylContact C-O 3.56Å; I11-K82 WeakPolarHBondContact CA-O 3.43Å; F12-K82 HydrophobicContact CB-CB 4.2Å; F12-K82 PolarHBondContact N-O 3.25Å; F12-K82 PolarHBondContact O-N 2.6Å; L45-K82 HydrophobicContact CD1-CD 4.17Å; Y74-K82 HydrophobicContact CE2-CB 3.86Å; Y74-K82 HydrophobicContact CE2-CD 3.88Å; Y74-K82 HydrophobicContact CE2-CG 3.69Å; Y74-K82 VanDerWaalsContact OH-CE 3.31Å; Y74-K82 WeakPolarHBondContact OH-CE 3.47Å; F75-K82 CarbonylContact O-C 3.55Å; F75-K82 WeakPolarHBondContact O-CA 3.41Å; E76-K82 HydrophobicContact CB-CG 4.2Å; E76-K82 HydrophobicContact CG-CG 3.99Å; E76-K82 WeakPolarHBondContact OE1-CE 3.5Å; E76-K82 IonicContact OE1-NZ 3.42Å; E76-K82 PolarHBondContact OE1-NZ 2.93Å; S80-K82 PolarHBondContact O-NZ 3.09Å
83F97.7Very high94.3Very high0 Ų032 Ų320%020%0.196CC..EExtended strand (participates in β ladder)trans-113128.3172.3-62.1-102.4000108.7L9 Y10 I11 F75 T77 L81 L98 I101 Y102 Y106L9-F83 HydrophobicContact CD1-CB 4.35Å; Y10-F83 WeakPolarHBondContact O-CA 2.93Å; I11-F83 HydrophobicContact CD1-CD1 4.05Å; I11-F83 HydrophobicContact CD1-CE1 3.75Å; I11-F83 HydrophobicContact CG1-CD1 3.83Å; I11-F83 HydrophobicContact CG1-CE1 3.98Å; I11-F83 HydrophobicContact CG2-CD1 4.37Å; I11-F83 HydrophobicContact CG2-CE1 4.09Å; I11-F83 HydrophobicContact CG2-CZ 4.34Å; F75-F83 HydrophobicContact CD1-CB 4.39Å; F75-F83 AromaticContact CD1-CD2 3.79Å; F75-F83 HydrophobicContact CD1-CD2 3.79Å; F75-F83 HydrophobicContact CD1-CG 4.39Å; F75-F83 HydrophobicContact CE1-CD2 4.22Å; F75-F83 PolarHBondContact N-O 2.82Å; F75-F83 PolarHBondContact O-N 3.46Å; T77-F83 HydrophobicContact CG2-CE2 4.23Å; L81-F83 HydrophobicContact CD2-CE2 3.47Å; L81-F83 VanDerWaalsContact CD2-CE2 3.47Å; L81-F83 HydrophobicContact CD2-CZ 3.56Å; L81-F83 HydrophobicContact CG-CE2 3.86Å; L81-F83 HydrophobicContact CG-CZ 4.27Å; F83-L98 HydrophobicContact CB-CD2 3.81Å; F83-I101 HydrophobicContact CD1-CG2 4.1Å; F83-I101 HydrophobicContact CE1-CG2 3.97Å; F83-Y102 AromaticContact CE2-CD2 3.75Å; F83-Y102 HydrophobicContact CE2-CD2 3.75Å; F83-Y102 HydrophobicContact CE2-CG 4.1Å; F83-Y102 AromaticContact CZ-CD2 3.86Å; F83-Y102 HydrophobicContact CZ-CD2 3.86Å; F83-Y102 HydrophobicContact CZ-CG 4.34Å; F83-Y106 HydrophobicContact CE1-CD2 4.09Å; F83-Y106 HydrophobicContact CE1-CG 4.36Å; F83-Y106 AromaticContact CZ-CD2 3.8Å; F83-Y106 HydrophobicContact CZ-CD2 3.8Å; F83-Y106 AromaticContact CZ-CG 3.8Å; F83-Y106 HydrophobicContact CZ-CG 3.8Å
84V97.3Very high94.3Very high0 Ų032 Ų320%020%0.196CC..EExtended strand (participates in β ladder)trans-131.5111.9-172.7-173.30000110L9 Y10 F12 V41 L45 L72 H73 Y74L9-V84 CarbonylContact C-O 3.52Å; L9-V84 WeakPolarHBondContact CA-O 3.4Å; Y10-V84 HydrophobicContact CD2-CB 4.08Å; Y10-V84 HydrophobicContact CD2-CG1 4.15Å; Y10-V84 PolarHBondContact N-O 3.37Å; Y10-V84 PolarHBondContact O-N 3.04Å; F12-V84 HydrophobicContact CD2-CG2 4.11Å; F12-V84 HydrophobicContact CE2-CG2 4.19Å; V41-V84 HydrophobicContact CG1-CG1 4.26Å; L45-V84 HydrophobicContact CD1-CG2 3.45Å; L45-V84 VanDerWaalsContact CD1-CG2 3.45Å; L45-V84 HydrophobicContact CD2-CG1 4.37Å; L45-V84 HydrophobicContact CD2-CG2 3.95Å; L45-V84 HydrophobicContact CG-CG2 4.24Å; L72-V84 HydrophobicContact CD1-CG1 3.76Å; L72-V84 HydrophobicContact CD2-CG1 3.44Å; L72-V84 VanDerWaalsContact CD2-CG1 3.44Å; L72-V84 HydrophobicContact CG-CG1 3.48Å; L72-V84 VanDerWaalsContact CG-CG1 3.48Å; H73-V84 CarbonylContact O-C 3.57Å; H73-V84 VanDerWaalsContact O-CA 3.27Å; H73-V84 WeakPolarHBondContact O-CA 3.33Å; Y74-V84 HydrophobicContact CD2-CG2 4.19Å
85M97.9Very high94.3Very high0 Ų033.7 Ų33.70%020%0.204CC..EExtended strand (participates in β ladder)trans-111.6127.4-179-174.7173.3-70.500110.7I6 N8 L9 L72 H73 T87 I94 L97 L98 I101 V135I6-M85 HydrophobicContact CB-SD 4.31Å; I6-M85 HydrophobicContact CD1-CE 4.49Å; I6-M85 HydrophobicContact CD1-SD 3.75Å; I6-M85 HydrophobicContact CG1-SD 3.75Å; I6-M85 HydrophobicContact CG2-CE 4.14Å; I6-M85 HydrophobicContact CG2-CG 3.75Å; I6-M85 HydrophobicContact CG2-SD 3.58Å; I6-M85 VanDerWaalsContact CG2-SD 3.58Å; N8-M85 WeakPolarHBondContact O-CA 3.49Å; L9-M85 HydrophobicContact CB-CE 4.45Å; L9-M85 HydrophobicContact CD1-CB 4.16Å; L9-M85 HydrophobicContact CD1-CE 4.14Å; L72-M85 WeakPolarHBondContact CA-O 3.5Å; H73-M85 PolarHBondContact CD2-O 3.18Å; H73-M85 PolarHBondContact N-O 2.97Å; H73-M85 PolarHBondContact O-N 3.13Å; M85-T87 HydrophobicContact CG-CG2 3.76Å; M85-T87 HydrophobicContact SD-CG2 4.18Å; M85-I94 HydrophobicContact CB-CG2 4.05Å; M85-I94 HydrophobicContact CG-CG2 4.18Å; M85-I94 HydrophobicContact SD-CD1 4.08Å; M85-I94 HydrophobicContact SD-CG2 3.7Å; M85-L97 HydrophobicContact CE-CD2 3.93Å; M85-L97 HydrophobicContact SD-CD2 4.03Å; M85-L98 HydrophobicContact CB-CD2 3.89Å; M85-L98 HydrophobicContact CE-CD2 4.23Å; M85-I101 HydrophobicContact CE-CD1 3.89Å; M85-V135 HydrophobicContact CE-CG2 4.32Å
86N96.3Very high94.3Very high18 Ų1837.6 Ų37.610%0.09622%0.223CC..EExtended strand (participates in β ladder)trans-98.2126175177.832.2000108.7Y7 N8 N70 R71Y7-N86 WeakPolarHBondContact CB-O 3.42Å; Y7-N86 PolarHBondContact N-O 3.49Å; N8-N86 PolarHBondContact N-O 3.24Å; N8-N86 PolarHBondContact O-N 3.38Å; N8-N86 WeakPolarHBondContact OD1-CB 3.43Å; N8-N86 PolarHBondContact OD1-ND2 2.83Å; N8-N86 VanDerWaalsContact OD1-ND2 3.09Å; N70-N86 PolarHBondContact ND2-OD1 2.81Å; R71-N86 WeakPolarHBondContact O-CA 3.27Å
87T96.1Very high94.5Very high0 Ų035.6 Ų35.60%021%0.214CC..EExtended strand (participates in β ladder)trans-136.3168.8-176710000110.8T5 I6 Y7 N70 R71 H73 M85 A91 I94T5-T87 WeakPolarHBondContact O-CA 3.22Å; T5-T87 WeakPolarHBondContact O-CB 3.11Å; I6-T87 HydrophobicContact CB-CG2 4.46Å; I6-T87 HydrophobicContact CG1-CG2 3.95Å; Y7-T87 WeakPolarHBondContact CE2-O 3.27Å; N70-T87 CarbonylContact C-O 3.57Å; N70-T87 VanDerWaalsContact CA-O 3.31Å; N70-T87 WeakPolarHBondContact CA-O 3.36Å; N70-T87 VanDerWaalsContact CB-O 3.3Å; N70-T87 WeakPolarHBondContact CB-O 3.36Å; R71-T87 PolarHBondContact N-O 2.98Å; R71-T87 PolarHBondContact O-N 2.88Å; H73-T87 PolarHBondContact CD2-OG1 2.77Å; H73-T87 PolarHBondContact NE2-OG1 2.87Å; M85-T87 HydrophobicContact CG-CG2 3.76Å; M85-T87 HydrophobicContact SD-CG2 4.18Å; T87-A91 HydrophobicContact CG2-CB 4.14Å; T87-A91 WeakPolarHBondContact OG1-CB 3.24Å; T87-I94 HydrophobicContact CG2-CD1 4.05Å; T87-I94 HydrophobicContact CG2-CG1 4.03Å; T87-I94 HydrophobicContact CG2-CG2 4.47Å
88D94.9Very high94.7Very high26 Ų2635 Ų3514%0.13921%0.211CC..  trans-62.7162.5160.5-172-88.8000111.5G3 T5 Y7 A90 A91G3-D88 WeakPolarHBondContact O-CB 3.16Å; T5-D88 PolarHBondContact O-N 2.83Å; Y7-D88 HydrophobicContact CE2-CB 4.47Å; Y7-D88 VanDerWaalsContact CE2-N 3.3Å; Y7-D88 PolarHBondContact OH-OD2 3.05Å; D88-A90 VanDerWaalsContact C-N 3.27Å; D88-A90 PolarHBondContact O-N 2.67Å; D88-A90 WeakPolarHBondContact OD1-CB 3.4Å; D88-A90 PolarHBondContact OD1-N 3.26Å; D88-A91 WeakPolarHBondContact O-CB 3.19Å; D88-A91 PolarHBondContact O-N 3.14Å
89L92.9Very high95Very high59 Ų5930.9 Ų30.931%0.30917%0.174SC..THydrogen-bonded Turntrans-65.8-27.6178.6-68.3178.7000113.9T67 M68 N70 R71T67-L89 WeakPolarHBondContact O-CD2 3.26Å; M68-L89 WeakPolarHBondContact O-CD1 3.26Å; N70-L89 WeakPolarHBondContact O-CD2 3.4Å; R71-L89 HydrophobicContact CB-CD2 4.21Å
90A92.2Very high95.4Very high52 Ų5231.3 Ų31.343%0.4317%0.168SC..THydrogen-bonded Turntrans-86-5.7-179.500000113.4M4 D88M4-A90 HydrophobicContact CG-CB 3.89Å; D88-A90 VanDerWaalsContact C-N 3.27Å; D88-A90 PolarHBondContact O-N 2.67Å; D88-A90 WeakPolarHBondContact OD1-CB 3.4Å; D88-A90 PolarHBondContact OD1-N 3.26Å
91A94Very high95.7Very high3 Ų329.4 Ų29.43%0.02516%0.155CC..  trans-65.8138.3173.800000110.5T87 D88 I94T87-A91 HydrophobicContact CG2-CB 4.14Å; T87-A91 WeakPolarHBondContact OG1-CB 3.24Å; D88-A91 WeakPolarHBondContact O-CB 3.19Å; D88-A91 PolarHBondContact O-N 3.14Å; A91-I94 HydrophobicContact CB-CD1 4.36Å; A91-I94 HydrophobicContact CB-CG1 4.23Å
92F92.7Very high95.8Very high114 Ų11431.9 Ų31.950%0.516%0.164SC..  trans-132.1159.8-177.463.7-88.9000110.2M4 I94 H138 A139 S140M4-F92 HydrophobicContact SD-CE1 4.37Å; F92-I94 VanDerWaalsContact C-N 3.28Å; F92-I94 PolarHBondContact O-N 3.3Å; F92-H138 PolarHBondContact O-CE1 3.39Å; F92-A139 HydrophobicContact CE2-CB 4.09Å; F92-A139 HydrophobicContact CZ-CB 3.71Å; F92-S140 PolarHBondContact N-OG 3.36Å; F92-S140 PolarHBondContact O-OG 2.91Å
93G94.1Very high96Very high21 Ų2137.1 Ų37.122%0.21619%0.189CC..SBendtrans77.312.1177.300000114.4E96 L97 H138G93-E96 VanDerWaalsContact C-OE2 3.23Å; G93-E96 WeakPolarHBondContact CA-OE2 3.32Å; G93-L97 WeakPolarHBondContact O-CB 3.41Å; G93-L97 PolarHBondContact O-N 3Å; G93-H138 PolarHBondContact O-NE2 2.84Å
94I95.8Very high96Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-78.1-34.7-173.7-53-59.5000110.5I6 H73 M85 T87 A91 F92 E96 L97 L98I6-I94 HydrophobicContact CD1-CD1 4.09Å; I6-I94 HydrophobicContact CG1-CD1 4.07Å; H73-I94 HydrophobicContact CB-CB 4.38Å; H73-I94 HydrophobicContact CB-CG2 3.61Å; H73-I94 VanDerWaalsContact CG-CG2 3.46Å; M85-I94 HydrophobicContact CB-CG2 4.05Å; M85-I94 HydrophobicContact CG-CG2 4.18Å; M85-I94 HydrophobicContact SD-CD1 4.08Å; M85-I94 HydrophobicContact SD-CG2 3.7Å; T87-I94 HydrophobicContact CG2-CD1 4.05Å; T87-I94 HydrophobicContact CG2-CG1 4.03Å; T87-I94 HydrophobicContact CG2-CG2 4.47Å; A91-I94 HydrophobicContact CB-CD1 4.36Å; A91-I94 HydrophobicContact CB-CG1 4.23Å; F92-I94 VanDerWaalsContact C-N 3.28Å; F92-I94 PolarHBondContact O-N 3.3Å; I94-E96 PolarHBondContact O-N 3.23Å; I94-L97 HydrophobicContact CD1-CD2 4.36Å; I94-L97 PolarHBondContact O-N 3.29Å; I94-L97 VanDerWaalsContact O-N 3.15Å; I94-L98 HydrophobicContact CG2-CD1 4.28Å; I94-L98 HydrophobicContact CG2-CG 4.26Å; I94-L98 WeakPolarHBondContact O-CG 3.43Å; I94-L98 PolarHBondContact O-N 3.33Å
95E92.8Very high96Very high59 Ų5942.7 Ų42.728%0.27622%0.215SC..Hα-helixtrans-59.8-32.9175.3-65.285.8165.800112Q62 H73 P99Q62-E95 PolarHBondContact NE2-O 2.93Å; Q62-E95 VanDerWaalsContact NE2-O 3.1Å; H73-E95 IonicContact CE1-OE1 3.79Å; H73-E95 IonicContact ND1-OE1 3.48Å; H73-E95 PolarHBondContact ND1-OE1 3.47Å; H73-E95 IonicContact ND1-OE2 3.92Å; E95-P99 WeakPolarHBondContact O-CD 3.39Å; E95-P99 WeakPolarHBondContact O-CG 3.3Å
96E94.8Very high96Very high112 Ų11243.8 Ų43.852%0.52322%0.219SC..Hα-helixtrans-85.5-31.8172.6-60.580.4-179.100113.1G93 I94 K100G93-E96 VanDerWaalsContact C-OE2 3.23Å; G93-E96 WeakPolarHBondContact CA-OE2 3.32Å; I94-E96 PolarHBondContact O-N 3.23Å; E96-K100 WeakPolarHBondContact O-CG 3.33Å; E96-K100 PolarHBondContact O-N 3.46Å
97L97.6Very high96Very high5 Ų545.5 Ų45.53%0.02623%0.23CC..Hα-helixtrans-65.9-41.3178.2179.360.8000111.9I6 M85 G93 I94 K100 I101 I134 H138I6-L97 HydrophobicContact CD1-CD2 3.92Å; M85-L97 HydrophobicContact CE-CD2 3.93Å; M85-L97 HydrophobicContact SD-CD2 4.03Å; G93-L97 WeakPolarHBondContact O-CB 3.41Å; G93-L97 PolarHBondContact O-N 3Å; I94-L97 HydrophobicContact CD1-CD2 4.36Å; I94-L97 PolarHBondContact O-N 3.29Å; I94-L97 VanDerWaalsContact O-N 3.15Å; L97-K100 WeakPolarHBondContact O-CB 3.37Å; L97-K100 PolarHBondContact O-N 2.87Å; L97-I101 HydrophobicContact CD1-CD1 4.23Å; L97-I101 HydrophobicContact CD1-CG1 4.24Å; L97-I101 HydrophobicContact CD2-CD1 4.48Å; L97-I101 HydrophobicContact CG-CD1 3.9Å; L97-I101 HydrophobicContact CG-CG1 4.36Å; L97-I101 WeakPolarHBondContact O-CG1 2.92Å; L97-I101 PolarHBondContact O-N 3.1Å; L97-I134 HydrophobicContact CD1-CD1 4.44Å; L97-I134 HydrophobicContact CD1-CG1 4.13Å; L97-H138 HydrophobicContact CD2-CB 4.24Å
98L98.1Very high96Very high1 Ų148.4 Ų48.41%0.00525%0.249CC..Hα-helixtrans-62.9-48.4-176.4-69.9172000113.5L9 H73 F75 F83 M85 I94 K100 I101 Y102L9-L98 HydrophobicContact CD1-CD2 3.8Å; H73-L98 HydrophobicContact CB-CD1 3.88Å; F75-L98 HydrophobicContact CB-CB 3.65Å; F75-L98 HydrophobicContact CB-CD1 3.96Å; F75-L98 HydrophobicContact CB-CG 4.42Å; F75-L98 HydrophobicContact CD1-CB 4.26Å; F75-L98 HydrophobicContact CG-CB 4.2Å; F83-L98 HydrophobicContact CB-CD2 3.81Å; M85-L98 HydrophobicContact CB-CD2 3.89Å; M85-L98 HydrophobicContact CE-CD2 4.23Å; I94-L98 HydrophobicContact CG2-CD1 4.28Å; I94-L98 HydrophobicContact CG2-CG 4.26Å; I94-L98 WeakPolarHBondContact O-CG 3.43Å; I94-L98 PolarHBondContact O-N 3.33Å; L98-K100 VanDerWaalsContact C-N 3.32Å; L98-K100 PolarHBondContact O-N 3.13Å; L98-I101 PolarHBondContact O-N 2.92Å; L98-Y102 PolarHBondContact O-N 2.98Å; L98-Y102 VanDerWaalsContact O-N 3.14Å
99P97.1Very high96.1Very high25 Ų2550.7 Ų50.716%0.16226%0.256CS..Hα-helixtrans-58.7-40.3171-2534000113F75 E95 I101 Y102 E103F75-P99 HydrophobicContact CD1-CG 4.46Å; F75-P99 HydrophobicContact CD2-CG 3.99Å; F75-P99 HydrophobicContact CE1-CB 4.35Å; F75-P99 HydrophobicContact CE1-CG 4.44Å; F75-P99 HydrophobicContact CE2-CB 4.34Å; F75-P99 HydrophobicContact CE2-CG 3.96Å; F75-P99 HydrophobicContact CG-CG 4.25Å; F75-P99 HydrophobicContact CZ-CB 4.11Å; F75-P99 HydrophobicContact CZ-CG 4.19Å; E95-P99 WeakPolarHBondContact O-CD 3.39Å; E95-P99 WeakPolarHBondContact O-CG 3.3Å; P99-I101 VanDerWaalsContact C-N 3.35Å; P99-I101 PolarHBondContact O-N 2.88Å; P99-Y102 WeakPolarHBondContact O-CB 3.35Å; P99-Y102 PolarHBondContact O-N 2.81Å; P99-Y102 VanDerWaalsContact O-N 3.13Å; P99-E103 WeakPolarHBondContact O-CG 3.41Å; P99-E103 PolarHBondContact O-N 3.13Å
100K98.1Very high96.2Very high104 Ų10448.6 Ų48.645%0.45225%0.246SC..Hα-helixtrans-61.7-40.8176.3-74.6176.6-179.9176.20112.4E96 L97 L98 Y102 E103 Q104 I134E96-K100 WeakPolarHBondContact O-CG 3.33Å; E96-K100 PolarHBondContact O-N 3.46Å; L97-K100 WeakPolarHBondContact O-CB 3.37Å; L97-K100 PolarHBondContact O-N 2.87Å; L98-K100 VanDerWaalsContact C-N 3.32Å; L98-K100 PolarHBondContact O-N 3.13Å; K100-Y102 VanDerWaalsContact C-N 3.3Å; K100-Y102 PolarHBondContact O-N 3.42Å; K100-E103 PolarHBondContact O-N 2.92Å; K100-Q104 VanDerWaalsContact O-CB 3.27Å; K100-Q104 WeakPolarHBondContact O-CB 3.48Å; K100-Q104 WeakPolarHBondContact O-CG 3.45Å; K100-Q104 PolarHBondContact O-N 3.48Å; K100-I134 HydrophobicContact CB-CD1 4.13Å
101I98.6Very high96.2Very high0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-59.8-43.6173.9-71.4167000110.3L9 F83 M85 L97 L98 P99 V105 Y106 L131 I134 V135L9-I101 HydrophobicContact CD2-CD1 4.4Å; F83-I101 HydrophobicContact CD1-CG2 4.1Å; F83-I101 HydrophobicContact CE1-CG2 3.97Å; M85-I101 HydrophobicContact CE-CD1 3.89Å; L97-I101 HydrophobicContact CD1-CD1 4.23Å; L97-I101 HydrophobicContact CD1-CG1 4.24Å; L97-I101 HydrophobicContact CD2-CD1 4.48Å; L97-I101 HydrophobicContact CG-CD1 3.9Å; L97-I101 HydrophobicContact CG-CG1 4.36Å; L97-I101 WeakPolarHBondContact O-CG1 2.92Å; L97-I101 PolarHBondContact O-N 3.1Å; L98-I101 PolarHBondContact O-N 2.92Å; P99-I101 VanDerWaalsContact C-N 3.35Å; P99-I101 PolarHBondContact O-N 2.88Å; I101-V105 CarbonylContact O-C 3.59Å; I101-V105 WeakPolarHBondContact O-CA 3.4Å; I101-V105 VanDerWaalsContact O-CB 3.26Å; I101-V105 WeakPolarHBondContact O-CB 3.44Å; I101-V105 PolarHBondContact O-N 2.94Å; I101-V105 VanDerWaalsContact O-N 3.07Å; I101-Y106 PolarHBondContact O-N 3Å; I101-L131 HydrophobicContact CD1-CD1 4.09Å; I101-L131 HydrophobicContact CG1-CD1 4.17Å; I101-L131 HydrophobicContact CG2-CD1 3.67Å; I101-I134 HydrophobicContact CG1-CG2 3.96Å; I101-V135 HydrophobicContact CD1-CG2 3.91Å
102Y98.1Very high96.1Very high57 Ų5753.1 Ų53.122%0.22428%0.279CS..Iπ-helixtrans-61.3-54.2176.8169.4-110.3000111.9F75 T77 L81 F83 L98 P99 K100 Y106 V107F75-Y102 HydrophobicContact CE1-CD1 4.31Å; F75-Y102 HydrophobicContact CE1-CG 4.16Å; F75-Y102 HydrophobicContact CZ-CD1 4.5Å; T77-Y102 HydrophobicContact CG2-CD1 3.96Å; T77-Y102 HydrophobicContact CG2-CD2 3.7Å; T77-Y102 HydrophobicContact CG2-CE1 3.99Å; T77-Y102 HydrophobicContact CG2-CE2 3.71Å; T77-Y102 HydrophobicContact CG2-CG 3.82Å; L81-Y102 HydrophobicContact CD2-CD2 4.15Å; L81-Y102 HydrophobicContact CD2-CE2 4.24Å; F83-Y102 AromaticContact CE2-CD2 3.75Å; F83-Y102 HydrophobicContact CE2-CD2 3.75Å; F83-Y102 HydrophobicContact CE2-CG 4.1Å; F83-Y102 AromaticContact CZ-CD2 3.86Å; F83-Y102 HydrophobicContact CZ-CD2 3.86Å; F83-Y102 HydrophobicContact CZ-CG 4.34Å; L98-Y102 PolarHBondContact O-N 2.98Å; L98-Y102 VanDerWaalsContact O-N 3.14Å; P99-Y102 WeakPolarHBondContact O-CB 3.35Å; P99-Y102 PolarHBondContact O-N 2.81Å; P99-Y102 VanDerWaalsContact O-N 3.13Å; K100-Y102 VanDerWaalsContact C-N 3.3Å; K100-Y102 PolarHBondContact O-N 3.42Å; Y102-Y106 HydrophobicContact CD2-CD1 4.13Å; Y102-Y106 HydrophobicContact CD2-CG 4.42Å; Y102-Y106 HydrophobicContact CE2-CD1 4.21Å; Y102-Y106 WeakPolarHBondContact O-CB 3.46Å; Y102-Y106 PolarHBondContact O-N 3.23Å; Y102-V107 HydrophobicContact CD2-CG2 4.13Å; Y102-V107 HydrophobicContact CE1-CG2 4.09Å; Y102-V107 HydrophobicContact CE2-CG2 3.65Å; Y102-V107 WeakPolarHBondContact O-CG2 3.47Å; Y102-V107 PolarHBondContact O-N 3.04Å
103E98Very high96Very high123 Ų12349.8 Ų49.858%0.57527%0.266SS*.Iπ-helixtrans-70.9-42.6-172.7-67.8175.9-179.300113.2P99 K100 P108P99-E103 WeakPolarHBondContact O-CG 3.41Å; P99-E103 PolarHBondContact O-N 3.13Å; K100-E103 PolarHBondContact O-N 2.92Å; E103-P108 WeakPolarHBondContact O-CD 3.35Å
104Q98.1Very high95.9Very high113 Ų11354.8 Ų54.853%0.52830%0.295SS..Iπ-helixtrans-95.2-18-171.4-56-17615.600113.4K100K100-Q104 VanDerWaalsContact O-CB 3.27Å; K100-Q104 WeakPolarHBondContact O-CB 3.48Å; K100-Q104 WeakPolarHBondContact O-CG 3.45Å; K100-Q104 PolarHBondContact O-N 3.48Å
105V98.4Very high95.6Very high5 Ų562 Ų623%0.0333%0.333CS..Iπ-helixtrans-123-55.6-175.7-168.60000112.2I101 P108 Y109 F127 K130 L131 I134I101-V105 CarbonylContact O-C 3.59Å; I101-V105 WeakPolarHBondContact O-CA 3.4Å; I101-V105 VanDerWaalsContact O-CB 3.26Å; I101-V105 WeakPolarHBondContact O-CB 3.44Å; I101-V105 PolarHBondContact O-N 2.94Å; I101-V105 VanDerWaalsContact O-N 3.07Å; V105-P108 WeakPolarHBondContact O-CD 3.24Å; V105-Y109 HydrophobicContact CG1-CD2 4.18Å; V105-Y109 WeakPolarHBondContact O-CB 3.14Å; V105-Y109 VanDerWaalsContact O-CD2 3.23Å; V105-Y109 WeakPolarHBondContact O-CD2 3.31Å; V105-Y109 PolarHBondContact O-N 3.28Å; V105-Y109 VanDerWaalsContact O-N 3.11Å; V105-F127 HydrophobicContact CB-CE2 4.4Å; V105-F127 HydrophobicContact CG1-CD2 3.64Å; V105-F127 HydrophobicContact CG1-CE2 3.67Å; V105-F127 HydrophobicContact CG1-CG 4.46Å; V105-F127 HydrophobicContact CG1-CZ 4.49Å; V105-K130 HydrophobicContact CG1-CB 3.82Å; V105-L131 HydrophobicContact CG1-CB 4.13Å; V105-I134 HydrophobicContact CG2-CG2 3.94Å
106Y97.5Very high95.5Very high23 Ų2361.3 Ų61.39%0.0934%0.337CS..Iπ-helixtrans-66.2-49.6-176.5-172.5-80.9000112.2I11 I19 L81 F83 I101 Y102 V110 T111 I122 F127I11-Y106 HydrophobicContact CD1-CD2 4.42Å; I11-Y106 HydrophobicContact CG2-CD2 4.42Å; I11-Y106 HydrophobicContact CG2-CE2 4.07Å; I19-Y106 HydrophobicContact CD1-CE2 4.21Å; L81-Y106 HydrophobicContact CD1-CE2 4.3Å; L81-Y106 HydrophobicContact CD2-CD1 3.73Å; L81-Y106 HydrophobicContact CD2-CD2 4.05Å; L81-Y106 HydrophobicContact CD2-CE1 3.4Å; L81-Y106 VanDerWaalsContact CD2-CE1 3.4Å; L81-Y106 HydrophobicContact CD2-CE2 3.71Å; L81-Y106 HydrophobicContact CD2-CG 4.06Å; F83-Y106 HydrophobicContact CE1-CD2 4.09Å; F83-Y106 HydrophobicContact CE1-CG 4.36Å; F83-Y106 AromaticContact CZ-CD2 3.8Å; F83-Y106 HydrophobicContact CZ-CD2 3.8Å; F83-Y106 AromaticContact CZ-CG 3.8Å; F83-Y106 HydrophobicContact CZ-CG 3.8Å; I101-Y106 PolarHBondContact O-N 3Å; Y102-Y106 HydrophobicContact CD2-CD1 4.13Å; Y102-Y106 HydrophobicContact CD2-CG 4.42Å; Y102-Y106 HydrophobicContact CE2-CD1 4.21Å; Y102-Y106 WeakPolarHBondContact O-CB 3.46Å; Y102-Y106 PolarHBondContact O-N 3.23Å; Y106-V110 HydrophobicContact CD1-CB 4.22Å; Y106-V110 HydrophobicContact CD2-CB 4.08Å; Y106-V110 HydrophobicContact CD2-CG1 4.45Å; Y106-V110 HydrophobicContact CD2-CG2 3.81Å; Y106-V110 HydrophobicContact CE1-CB 4.1Å; Y106-V110 HydrophobicContact CE1-CG1 4.17Å; Y106-V110 HydrophobicContact CE2-CB 4Å; Y106-V110 HydrophobicContact CE2-CG1 3.87Å; Y106-V110 HydrophobicContact CE2-CG2 4.01Å; Y106-V110 HydrophobicContact CG-CB 4.19Å; Y106-V110 HydrophobicContact CG-CG2 4.19Å; Y106-V110 WeakPolarHBondContact O-CA 3.38Å; Y106-V110 VanDerWaalsContact O-CB 3.25Å; Y106-V110 WeakPolarHBondContact O-CB 3.38Å; Y106-V110 PolarHBondContact O-N 3.15Å; Y106-T111 WeakPolarHBondContact CE1-OG1 3.26Å; Y106-T111 PolarHBondContact O-N 3.26Å; Y106-T111 VanDerWaalsContact O-N 3.16Å; Y106-I122 HydrophobicContact CD2-CD1 4.29Å; Y106-I122 HydrophobicContact CE2-CD1 3.86Å; Y106-F127 HydrophobicContact CD2-CE2 4.21Å
107V96.2Very high95.2Very high53 Ų5361 Ų6132%0.32134%0.338SS..Iπ-helixtrans-59.8-50.1-178.5170.60000111.6Y102 T111 G112Y102-V107 HydrophobicContact CD2-CG2 4.13Å; Y102-V107 HydrophobicContact CE1-CG2 4.09Å; Y102-V107 HydrophobicContact CE2-CG2 3.65Å; Y102-V107 WeakPolarHBondContact O-CG2 3.47Å; Y102-V107 PolarHBondContact O-N 3.04Å; V107-T111 WeakPolarHBondContact O-CB 3.27Å; V107-T111 PolarHBondContact O-N 3.45Å; V107-G112 PolarHBondContact O-N 3.5Å
108P96Very high94.6Very high61 Ų6169.4 Ų69.440%0.39637%0.374SS..Iπ-helixtrans-70.3-39-178.2-22.336000114E103 V105E103-P108 WeakPolarHBondContact O-CD 3.35Å; V105-P108 WeakPolarHBondContact O-CD 3.24Å
109Y96.2Very high94Very high75 Ų7570.7 Ų70.729%0.29439%0.387SS..Iπ-helixtrans-107.8-7.5-167.4-53.5-71.5000115.1V105 S124 V126 K130V105-Y109 HydrophobicContact CG1-CD2 4.18Å; V105-Y109 WeakPolarHBondContact O-CB 3.14Å; V105-Y109 VanDerWaalsContact O-CD2 3.23Å; V105-Y109 WeakPolarHBondContact O-CD2 3.31Å; V105-Y109 PolarHBondContact O-N 3.28Å; V105-Y109 VanDerWaalsContact O-N 3.11Å; Y109-S124 PolarHBondContact O-OG 3.41Å; Y109-V126 HydrophobicContact CD1-CB 4.39Å; Y109-V126 HydrophobicContact CD1-CG1 3.54Å; Y109-V126 HydrophobicContact CE1-CG1 3.67Å; Y109-V126 HydrophobicContact CG-CG1 4.31Å; Y109-K130 HydrophobicContact CD2-CB 4.06Å; Y109-K130 HydrophobicContact CD2-CG 4.05Å; Y109-K130 HydrophobicContact CE1-CG 4.36Å; Y109-K130 HydrophobicContact CE2-CB 3.9Å; Y109-K130 HydrophobicContact CE2-CD 4.2Å; Y109-K130 HydrophobicContact CE2-CG 3.59Å
110V95.4Very high93.8Very high14 Ų1474.4 Ų74.49%0.08540%0.403CS..Iπ-helixtrans-113.2-61.2169.9-172.60000110.1Y106 G112 N113 A116 I122 F127Y106-V110 HydrophobicContact CD1-CB 4.22Å; Y106-V110 HydrophobicContact CD2-CB 4.08Å; Y106-V110 HydrophobicContact CD2-CG1 4.45Å; Y106-V110 HydrophobicContact CD2-CG2 3.81Å; Y106-V110 HydrophobicContact CE1-CB 4.1Å; Y106-V110 HydrophobicContact CE1-CG1 4.17Å; Y106-V110 HydrophobicContact CE2-CB 4Å; Y106-V110 HydrophobicContact CE2-CG1 3.87Å; Y106-V110 HydrophobicContact CE2-CG2 4.01Å; Y106-V110 HydrophobicContact CG-CB 4.19Å; Y106-V110 HydrophobicContact CG-CG2 4.19Å; Y106-V110 WeakPolarHBondContact O-CA 3.38Å; Y106-V110 VanDerWaalsContact O-CB 3.25Å; Y106-V110 WeakPolarHBondContact O-CB 3.38Å; Y106-V110 PolarHBondContact O-N 3.15Å; V110-G112 VanDerWaalsContact C-N 3.34Å; V110-G112 PolarHBondContact O-N 3.46Å; V110-N113 PolarHBondContact O-N 2.84Å; V110-A116 WeakPolarHBondContact O-CB 3.25Å; V110-I122 HydrophobicContact CG1-CG1 4.17Å; V110-I122 HydrophobicContact CG2-CD1 4.16Å; V110-I122 HydrophobicContact CG2-CG1 4.26Å; V110-I122 HydrophobicContact CG2-CG2 3.8Å; V110-F127 HydrophobicContact CG2-CB 4.32Å; V110-F127 HydrophobicContact CG2-CD1 4.46Å; V110-F127 HydrophobicContact CG2-CD2 3.3Å; V110-F127 HydrophobicContact CG2-CE2 3.64Å; V110-F127 HydrophobicContact CG2-CG 3.76Å; V110-F127 HydrophobicContact CG2-CZ 4.35Å
111T92.3Very high93.7Very high97 Ų9774.9 Ų74.960%0.59541%0.41SS*.Iπ-helixtrans-66.6-38.1-178.9-53.50000111.8Y106 V107 N113Y106-T111 WeakPolarHBondContact CE1-OG1 3.26Å; Y106-T111 PolarHBondContact O-N 3.26Å; Y106-T111 VanDerWaalsContact O-N 3.16Å; V107-T111 WeakPolarHBondContact O-CB 3.27Å; V107-T111 PolarHBondContact O-N 3.45Å; T111-N113 VanDerWaalsContact C-N 3.27Å; T111-N113 PolarHBondContact O-N 2.91Å
112G91.4Very high93.6Very high54 Ų5476.2 Ų76.256%0.55742%0.417SS*.THydrogen-bonded Turntrans-77.8-6.5176.700000114.7V107 V110 P114V107-G112 PolarHBondContact O-N 3.5Å; V110-G112 VanDerWaalsContact C-N 3.34Å; V110-G112 PolarHBondContact O-N 3.46Å; G112-P114 WeakPolarHBondContact O-CD 3.47Å
113N91.8Very high93.3Very high43 Ų4381 Ų8123%0.2344%0.441CS..  trans-85.9112.3179.6178.96.5000110.1V110 T111 L115 A116V110-N113 PolarHBondContact O-N 2.84Å; T111-N113 VanDerWaalsContact C-N 3.27Å; T111-N113 PolarHBondContact O-N 2.91Å; N113-L115 PolarHBondContact O-N 2.76Å; N113-L115 VanDerWaalsContact O-N 3.12Å; N113-L115 WeakPolarHBondContact OD1-CB 3.22Å; N113-L115 PolarHBondContact OD1-N 3.23Å; N113-A116 HydrophobicContact CB-CB 4.07Å; N113-A116 WeakPolarHBondContact O-CB 3.26Å; N113-A116 PolarHBondContact O-N 3.48Å
114P90.5Very high93.2Very high127 Ų12776.3 Ų76.383%0.82542%0.422SS*.THydrogen-bonded Turntrans-65.7-16.4-178.328.2-36000113.7G112G112-P114 WeakPolarHBondContact O-CD 3.47Å
115L91.1Very high93Very high151 Ų15177 Ų7779%0.79143%0.425SS*.THydrogen-bonded Turntrans-88.5-7.6176.3-57.5177.8000112.8N113 I117N113-L115 PolarHBondContact O-N 2.76Å; N113-L115 VanDerWaalsContact O-N 3.12Å; N113-L115 WeakPolarHBondContact OD1-CB 3.22Å; N113-L115 PolarHBondContact OD1-N 3.23Å; L115-I117 PolarHBondContact O-N 3.15Å
116A90.6Very high92.9Very high44 Ų4480.8 Ų80.836%0.36445%0.448SS..PPolyproline II helixtrans-75.1127-178.900000110.9V110 N113V110-A116 WeakPolarHBondContact O-CB 3.25Å; N113-A116 HydrophobicContact CB-CB 4.07Å; N113-A116 WeakPolarHBondContact O-CB 3.26Å; N113-A116 PolarHBondContact O-N 3.48Å
117I87.6Confident92.9Very high105 Ų10579.7 Ų79.754%0.53844%0.443SS..PPolyproline II helixtrans-92.9124.7173.7-57.6174.1000108.6L115 G119 E120L115-I117 PolarHBondContact O-N 3.15Å; I117-G119 PolarHBondContact O-N 3.18Å; I117-E120 HydrophobicContact CB-CB 4.18Å; I117-E120 HydrophobicContact CB-CG 3.98Å; I117-E120 WeakPolarHBondContact CD1-OE2 3.5Å; I117-E120 HydrophobicContact CG2-CB 4.4Å; I117-E120 HydrophobicContact CG2-CG 3.72Å; I117-E120 PolarHBondContact O-N 3.42Å
118K84.9Confident93Very high182 Ų18281.7 Ų81.779%0.79145%0.448SS*.THydrogen-bonded Turntrans-65.8126-176.9-174.6176-178.4179.70110.9H13 E120H13-K118 WeakPolarHBondContact NE2-CG 3.36Å; K118-E120 VanDerWaalsContact C-N 3.32Å
119G85.9Confident93.1Very high28 Ų2884.1 Ų84.129%0.28945%0.454SS..THydrogen-bonded Turntrans88.4-517900000114.3I19 I117I19-G119 WeakPolarHBondContact CG2-O 3.09Å; I117-G119 PolarHBondContact O-N 3.18Å
120E93Very high93.2Very high104 Ų10484.6 Ų84.649%0.48646%0.457SS..SBendtrans-90.3169.1171.4-66.2-167.3179.600112.1I19 I117 K118I19-E120 WeakPolarHBondContact CB-O 3.39Å; I19-E120 WeakPolarHBondContact CG2-O 3.35Å; I117-E120 HydrophobicContact CB-CB 4.18Å; I117-E120 HydrophobicContact CB-CG 3.98Å; I117-E120 WeakPolarHBondContact CD1-OE2 3.5Å; I117-E120 HydrophobicContact CG2-CB 4.4Å; I117-E120 HydrophobicContact CG2-CG 3.72Å; I117-E120 PolarHBondContact O-N 3.42Å; K118-E120 VanDerWaalsContact C-N 3.32Å
121L95.4Very high93.4Very high114 Ų11483.9 Ų83.960%0.59745%0.453SS*.  trans-59.4137.3176-69.2172.7000110.8I19 Q123I19-L121 WeakPolarHBondContact O-CA 3.19Å; L121-Q123 PolarHBondContact O-N 2.79Å; L121-Q123 VanDerWaalsContact O-N 3.13Å
122I96Very high93.7Very high28 Ų2880.4 Ų80.414%0.14443%0.433CS..  trans-72.5108.1176.2-58161.3000108.8I11 I19 Y106 V110 F127I11-I122 HydrophobicContact CD1-CD1 4.02Å; I19-I122 HydrophobicContact CD1-CD1 4.31Å; I19-I122 HydrophobicContact CD1-CG1 4.5Å; I19-I122 HydrophobicContact CG1-CD1 4.34Å; I19-I122 WeakPolarHBondContact O-CG1 3.18Å; I19-I122 PolarHBondContact O-N 3.21Å; Y106-I122 HydrophobicContact CD2-CD1 4.29Å; Y106-I122 HydrophobicContact CE2-CD1 3.86Å; V110-I122 HydrophobicContact CG1-CG1 4.17Å; V110-I122 HydrophobicContact CG2-CD1 4.16Å; V110-I122 HydrophobicContact CG2-CG1 4.26Å; V110-I122 HydrophobicContact CG2-CG2 3.8Å; I122-F127 HydrophobicContact CD1-CE1 4.21Å; I122-F127 HydrophobicContact CD1-CZ 4.28Å; I122-F127 HydrophobicContact CG2-CB 4.28Å; I122-F127 HydrophobicContact CG2-CD1 3.52Å; I122-F127 HydrophobicContact CG2-CE1 4.03Å; I122-F127 HydrophobicContact CG2-CG 3.89Å
123Q93.3Very high94Very high157 Ų15781 Ų8173%0.73442%0.423SS*.  trans-98.6-2.8-179.8-64.3-178.5-0.800113.9L121 E125L121-Q123 PolarHBondContact O-N 2.79Å; L121-Q123 VanDerWaalsContact O-N 3.13Å; Q123-E125 PolarHBondContact O-N 3.33Å; Q123-E125 VanDerWaalsContact O-N 3.15Å
124S95Very high94.3Very high24 Ų2480.3 Ų80.317%0.16842%0.419CS..  trans-68.4112.2-176.4174.60000111.4Y109 V126 F127 K128Y109-S124 PolarHBondContact O-OG 3.41Å; S124-V126 VanDerWaalsContact C-N 3.27Å; S124-V126 PolarHBondContact O-N 2.81Å; S124-F127 WeakPolarHBondContact O-CB 3.35Å; S124-F127 PolarHBondContact O-N 3.06Å; S124-F127 PolarHBondContact OG-N 2.83Å; S124-K128 PolarHBondContact O-N 2.84Å
125E95.3Very high94.7Very high129 Ų12974.3 Ų74.360%0.60338%0.38SS*.Hα-helixtrans-65-32.4175.3-69.5-57.7137.300111.9Q123 K128 Q129Q123-E125 PolarHBondContact O-N 3.33Å; Q123-E125 VanDerWaalsContact O-N 3.15Å; E125-K128 PolarHBondContact O-N 2.86Å; E125-K128 IonicContact OE2-NZ 3.86Å; E125-Q129 PolarHBondContact O-N 3.48Å
126V96Very high94.9Very high83 Ų8372 Ų7250%0.50337%0.365SS..Hα-helixtrans-64.3-42.6174.6-175.70000110.6Y109 S124 Q129 K130Y109-V126 HydrophobicContact CD1-CB 4.39Å; Y109-V126 HydrophobicContact CD1-CG1 3.54Å; Y109-V126 HydrophobicContact CE1-CG1 3.67Å; Y109-V126 HydrophobicContact CG-CG1 4.31Å; S124-V126 VanDerWaalsContact C-N 3.27Å; S124-V126 PolarHBondContact O-N 2.81Å; V126-Q129 PolarHBondContact O-N 3.33Å; V126-K130 HydrophobicContact CG1-CG 4.44Å; V126-K130 WeakPolarHBondContact O-CB 3.17Å; V126-K130 VanDerWaalsContact O-CG 3.29Å; V126-K130 WeakPolarHBondContact O-CG 3.37Å; V126-K130 PolarHBondContact O-N 2.65Å
127F97.5Very high95.2Very high0 Ų074.4 Ų74.40%038%0.379CS..Hα-helixtrans-58.4-48.8172.7169.9-91.7000110.9I11 Y22 V105 Y106 V110 I122 S124 Q129 K130 L131I11-F127 HydrophobicContact CD1-CE1 4.37Å; I11-F127 HydrophobicContact CD1-CZ 3.77Å; Y22-F127 HydrophobicContact CE1-CE1 4.35Å; Y22-F127 AromaticContact CE2-CE1 3.9Å; Y22-F127 HydrophobicContact CE2-CE1 3.9Å; Y22-F127 AromaticContact CZ-CE1 3.57Å; Y22-F127 WeakPolarHBondContact OH-CE1 3.36Å; V105-F127 HydrophobicContact CB-CE2 4.4Å; V105-F127 HydrophobicContact CG1-CD2 3.64Å; V105-F127 HydrophobicContact CG1-CE2 3.67Å; V105-F127 HydrophobicContact CG1-CG 4.46Å; V105-F127 HydrophobicContact CG1-CZ 4.49Å; Y106-F127 HydrophobicContact CD2-CE2 4.21Å; V110-F127 HydrophobicContact CG2-CB 4.32Å; V110-F127 HydrophobicContact CG2-CD1 4.46Å; V110-F127 HydrophobicContact CG2-CD2 3.3Å; V110-F127 HydrophobicContact CG2-CE2 3.64Å; V110-F127 HydrophobicContact CG2-CG 3.76Å; V110-F127 HydrophobicContact CG2-CZ 4.35Å; I122-F127 HydrophobicContact CD1-CE1 4.21Å; I122-F127 HydrophobicContact CD1-CZ 4.28Å; I122-F127 HydrophobicContact CG2-CB 4.28Å; I122-F127 HydrophobicContact CG2-CD1 3.52Å; I122-F127 HydrophobicContact CG2-CE1 4.03Å; I122-F127 HydrophobicContact CG2-CG 3.89Å; S124-F127 WeakPolarHBondContact O-CB 3.35Å; S124-F127 PolarHBondContact O-N 3.06Å; S124-F127 PolarHBondContact OG-N 2.83Å; F127-Q129 VanDerWaalsContact C-N 3.33Å; F127-Q129 PolarHBondContact O-N 3.07Å; F127-K130 PolarHBondContact O-N 3.33Å; F127-L131 HydrophobicContact CE1-CB 4.32Å; F127-L131 HydrophobicContact CE1-CD2 3.8Å; F127-L131 HydrophobicContact CZ-CB 4.43Å; F127-L131 HydrophobicContact CZ-CD2 4.05Å; F127-L131 VanDerWaalsContact O-CB 3.28Å; F127-L131 WeakPolarHBondContact O-CB 3.3Å; F127-L131 PolarHBondContact O-N 3.21Å
128K98Very high95.6Very high96 Ų9671.3 Ų71.342%0.41736%0.363SS..Hα-helixtrans-61.4-40.5-178.4-175.5-177.7173.5-169.60112.3Y22 S124 E125 S132Y22-K128 HydrophobicContact CE1-CG 4.26Å; S124-K128 PolarHBondContact O-N 2.84Å; E125-K128 PolarHBondContact O-N 2.86Å; E125-K128 IonicContact OE2-NZ 3.86Å; K128-S132 WeakPolarHBondContact O-CB 3.47Å; K128-S132 PolarHBondContact O-N 2.93Å; K128-S132 PolarHBondContact O-OG 3.4Å
129Q98.4Very high96.1Very high112 Ų11265.9 Ų65.952%0.52335%0.352SS..Hα-helixtrans-63.6-50.8175.2-176.261.151.400110.8E125 V126 F127 L131 S132 D133E125-Q129 PolarHBondContact O-N 3.48Å; V126-Q129 PolarHBondContact O-N 3.33Å; F127-Q129 VanDerWaalsContact C-N 3.33Å; F127-Q129 PolarHBondContact O-N 3.07Å; Q129-L131 VanDerWaalsContact C-N 3.31Å; Q129-L131 PolarHBondContact O-N 2.91Å; Q129-S132 WeakPolarHBondContact O-CA 3.47Å; Q129-S132 WeakPolarHBondContact O-CB 3.21Å; Q129-S132 PolarHBondContact O-N 3.41Å; Q129-D133 PolarHBondContact NE2-OD1 3.46Å; Q129-D133 VanDerWaalsContact O-CG 3.24Å; Q129-D133 PolarHBondContact O-N 2.86Å
130K98.5Very high96.5Very high84 Ų8464.6 Ų64.637%0.36534%0.338SS..Hα-helixtrans-65-35.1-178.7-68.7-70.3176.3-159.30113V105 Y109 V126 F127 D133 I134V105-K130 HydrophobicContact CG1-CB 3.82Å; Y109-K130 HydrophobicContact CD2-CB 4.06Å; Y109-K130 HydrophobicContact CD2-CG 4.05Å; Y109-K130 HydrophobicContact CE1-CG 4.36Å; Y109-K130 HydrophobicContact CE2-CB 3.9Å; Y109-K130 HydrophobicContact CE2-CD 4.2Å; Y109-K130 HydrophobicContact CE2-CG 3.59Å; V126-K130 HydrophobicContact CG1-CG 4.44Å; V126-K130 WeakPolarHBondContact O-CB 3.17Å; V126-K130 VanDerWaalsContact O-CG 3.29Å; V126-K130 WeakPolarHBondContact O-CG 3.37Å; V126-K130 PolarHBondContact O-N 2.65Å; F127-K130 PolarHBondContact O-N 3.33Å; K130-D133 IonicContact NZ-OD2 3.55Å; K130-D133 PolarHBondContact O-N 3.47Å; K130-I134 PolarHBondContact O-N 3.17Å
131L98.8Very high96.5Very high0 Ų061.5 Ų61.50%032%0.323CS..Hα-helixtrans-63.5-43.4171.1178.564.1000111.1L9 Y22 W24 I101 V105 F127 Q129 I134 V135L9-L131 HydrophobicContact CD2-CD1 3.8Å; L9-L131 HydrophobicContact CD2-CD2 4.08Å; Y22-L131 HydrophobicContact CD1-CD2 3.79Å; Y22-L131 HydrophobicContact CD2-CD2 3.4Å; Y22-L131 HydrophobicContact CE1-CD2 4.01Å; Y22-L131 HydrophobicContact CE2-CD2 3.63Å; Y22-L131 HydrophobicContact CG-CD2 3.5Å; Y22-L131 VanDerWaalsContact CG-CD2 3.5Å; W24-L131 HydrophobicContact CZ2-CG 4.49Å; I101-L131 HydrophobicContact CD1-CD1 4.09Å; I101-L131 HydrophobicContact CG1-CD1 4.17Å; I101-L131 HydrophobicContact CG2-CD1 3.67Å; V105-L131 HydrophobicContact CG1-CB 4.13Å; F127-L131 HydrophobicContact CE1-CB 4.32Å; F127-L131 HydrophobicContact CE1-CD2 3.8Å; F127-L131 HydrophobicContact CZ-CB 4.43Å; F127-L131 HydrophobicContact CZ-CD2 4.05Å; F127-L131 VanDerWaalsContact O-CB 3.28Å; F127-L131 WeakPolarHBondContact O-CB 3.3Å; F127-L131 PolarHBondContact O-N 3.21Å; Q129-L131 VanDerWaalsContact C-N 3.31Å; Q129-L131 PolarHBondContact O-N 2.91Å; L131-I134 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 HydrophobicContact CD1-CG2 3.93Å; L131-V135 HydrophobicContact CG-CG2 4.42Å; L131-V135 WeakPolarHBondContact O-CB 3.41Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.32Å; L131-V135 PolarHBondContact O-N 2.56Å
132S98.2Very high96Very high23 Ų2361.1 Ų61.116%0.16134%0.337CS..Hα-helixtrans-64.1-45.1177.3-58.80000110.9K128 Q129 I134 V135 Q136K128-S132 WeakPolarHBondContact O-CB 3.47Å; K128-S132 PolarHBondContact O-N 2.93Å; K128-S132 PolarHBondContact O-OG 3.4Å; Q129-S132 WeakPolarHBondContact O-CA 3.47Å; Q129-S132 WeakPolarHBondContact O-CB 3.21Å; Q129-S132 PolarHBondContact O-N 3.41Å; S132-I134 PolarHBondContact O-N 3.44Å; S132-V135 PolarHBondContact O-N 2.74Å; S132-Q136 WeakPolarHBondContact O-CB 3.31Å; S132-Q136 WeakPolarHBondContact O-CG 3.26Å; S132-Q136 PolarHBondContact O-N 3.34Å
133D98.3Very high96Very high67 Ų6762.8 Ų62.836%0.35835%0.346SS..Hα-helixtrans-56.2-48.6178.8-62.1-17.4000111.8Q129 K130 S137Q129-D133 PolarHBondContact NE2-OD1 3.46Å; Q129-D133 VanDerWaalsContact O-CG 3.24Å; Q129-D133 PolarHBondContact O-N 2.86Å; K130-D133 IonicContact NZ-OD2 3.55Å; K130-D133 PolarHBondContact O-N 3.47Å; D133-S137 VanDerWaalsContact O-CB 3.26Å; D133-S137 WeakPolarHBondContact O-CB 3.41Å; D133-S137 PolarHBondContact O-N 3Å; D133-S137 VanDerWaalsContact O-N 3.14Å; D133-S137 PolarHBondContact O-OG 3.28Å
134I98.1Very high96.1Very high29 Ų2957.8 Ų57.815%0.14933%0.326CS..Hα-helixtrans-73.3-36.1-177.4-163.4173.8000112.7L97 K100 I101 V105 K130 L131 S132 S137L97-I134 HydrophobicContact CD1-CD1 4.44Å; L97-I134 HydrophobicContact CD1-CG1 4.13Å; K100-I134 HydrophobicContact CB-CD1 4.13Å; I101-I134 HydrophobicContact CG1-CG2 3.96Å; V105-I134 HydrophobicContact CG2-CG2 3.94Å; K130-I134 PolarHBondContact O-N 3.17Å; L131-I134 WeakPolarHBondContact O-CG2 3.47Å; S132-I134 PolarHBondContact O-N 3.44Å; I134-S137 PolarHBondContact O-OG 3.2Å
135V98.2Very high96.2Very high0 Ų059.7 Ų59.70%034%0.335CS..Hα-helixtrans-73.3-44.1179.1171.30000110.4I6 W24 M85 I101 L131 S132 S137 H138 F141I6-V135 HydrophobicContact CD1-CG1 4Å; I6-V135 HydrophobicContact CG2-CG1 4.23Å; W24-V135 HydrophobicContact CD2-CG1 4.09Å; W24-V135 HydrophobicContact CE3-CG1 4.21Å; W24-V135 HydrophobicContact CH2-CB 4.21Å; W24-V135 HydrophobicContact CH2-CG1 3.83Å; W24-V135 HydrophobicContact CH2-CG2 3.9Å; W24-V135 HydrophobicContact CZ2-CB 3.89Å; W24-V135 HydrophobicContact CZ2-CG1 3.69Å; W24-V135 HydrophobicContact CZ2-CG2 3.97Å; W24-V135 HydrophobicContact CZ3-CG1 4.08Å; M85-V135 HydrophobicContact CE-CG2 4.32Å; I101-V135 HydrophobicContact CD1-CG2 3.91Å; L131-V135 HydrophobicContact CD1-CG2 3.93Å; L131-V135 HydrophobicContact CG-CG2 4.42Å; L131-V135 WeakPolarHBondContact O-CB 3.41Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.32Å; L131-V135 PolarHBondContact O-N 2.56Å; S132-V135 PolarHBondContact O-N 2.74Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.46Å; V135-H138 VanDerWaalsContact O-CB 3.24Å; V135-H138 WeakPolarHBondContact O-CB 3.07Å; V135-H138 PolarHBondContact O-N 2.84Å; V135-F141 HydrophobicContact CG1-CD2 3.73Å; V135-F141 HydrophobicContact CG1-CE2 3.95Å; V135-F141 VanDerWaalsContact O-CB 3.22Å; V135-F141 WeakPolarHBondContact O-CB 3.44Å; V135-F141 WeakPolarHBondContact O-CG 3.39Å
136Q96.8Very high96.2Very high102 Ų10255.6 Ų55.648%0.47732%0.319SS..Hα-helixtrans-75.6-22-175.7-61.8-175.47.200113.6S132 H138 F141S132-Q136 WeakPolarHBondContact O-CB 3.31Å; S132-Q136 WeakPolarHBondContact O-CG 3.26Å; S132-Q136 PolarHBondContact O-N 3.34Å; Q136-H138 VanDerWaalsContact C-N 3.29Å; Q136-F141 VanDerWaalsContact CA-CD1 3.5Å; Q136-F141 HydrophobicContact CB-CD1 3.91Å; Q136-F141 HydrophobicContact CB-CE1 3.87Å; Q136-F141 HydrophobicContact CB-CG 4.39Å; Q136-F141 HydrophobicContact CB-CZ 4.34Å; Q136-F141 HydrophobicContact CG-CD1 4.06Å; Q136-F141 HydrophobicContact CG-CD2 4.5Å; Q136-F141 HydrophobicContact CG-CE1 3.56Å; Q136-F141 HydrophobicContact CG-CE2 4.05Å; Q136-F141 HydrophobicContact CG-CZ 3.57Å
137S96.2Very high96.2Very high95 Ų9553.9 Ų53.966%0.66431%0.307SS*.THydrogen-bonded Turntrans-82.2-6.5172.156.40000113.6D133 I134 V135D133-S137 VanDerWaalsContact O-CB 3.26Å; D133-S137 WeakPolarHBondContact O-CB 3.41Å; D133-S137 PolarHBondContact O-N 3Å; D133-S137 VanDerWaalsContact O-N 3.14Å; D133-S137 PolarHBondContact O-OG 3.28Å; I134-S137 PolarHBondContact O-OG 3.2Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.46Å
138H96.9Very high96.2Very high40 Ų4057.5 Ų57.519%0.18533%0.328CS..SBendtrans-73.9144.9-177.5-167.1-107.1000112.1F92 G93 L97 V135 Q136 S140 F141F92-H138 PolarHBondContact O-CE1 3.39Å; G93-H138 PolarHBondContact O-NE2 2.84Å; L97-H138 HydrophobicContact CD2-CB 4.24Å; V135-H138 VanDerWaalsContact O-CB 3.24Å; V135-H138 WeakPolarHBondContact O-CB 3.07Å; V135-H138 PolarHBondContact O-N 2.84Å; Q136-H138 VanDerWaalsContact C-N 3.29Å; H138-S140 PolarHBondContact ND1-N 3.27Å; H138-S140 PolarHBondContact O-N 2.88Å; H138-S140 VanDerWaalsContact O-N 3.17Å; H138-F141 WeakPolarHBondContact O-CA 3.49Å; H138-F141 VanDerWaalsContact O-CB 3.25Å; H138-F141 WeakPolarHBondContact O-CB 3.39Å; H138-F141 PolarHBondContact O-N 2.97Å
139A93.8Very high96Very high69 Ų6954.7 Ų54.757%0.5732%0.321SS*.THydrogen-bonded Turntrans-62.6-26.7-177.600000113.8F92 F141F92-A139 HydrophobicContact CE2-CB 4.09Å; F92-A139 HydrophobicContact CZ-CB 3.71Å; A139-F141 PolarHBondContact O-N 2.83Å
140S94.3Very high95.9Very high0 Ų050.3 Ų50.30%031%0.306CS..THydrogen-bonded Turntrans-87.519171.8-60.60000113.1M4 T5 I6 F92 H138M4-S140 CarbonylContact O-C 3.03Å; M4-S140 WeakPolarHBondContact O-CA 3.11Å; M4-S140 VanDerWaalsContact O-CB 3.26Å; M4-S140 WeakPolarHBondContact O-CB 3.28Å; T5-S140 CarbonylContact C-O 3.45Å; T5-S140 VanDerWaalsContact CA-O 3.28Å; T5-S140 WeakPolarHBondContact CA-O 3.46Å; I6-S140 WeakPolarHBondContact CG1-O 3.34Å; I6-S140 PolarHBondContact N-O 3.12Å; F92-S140 PolarHBondContact N-OG 3.36Å; F92-S140 PolarHBondContact O-OG 2.91Å; H138-S140 PolarHBondContact ND1-N 3.27Å; H138-S140 PolarHBondContact O-N 2.88Å; H138-S140 VanDerWaalsContact O-N 3.17Å
141F94Very high95.6Very high39 Ų3947.5 Ų47.517%0.17130%0.301CS..  trans-107.778.8170.6-162.3-89.9000108.7I6 W24 H25 V135 Q136 H138 A139I6-F141 HydrophobicContact CB-CD2 4.18Å; I6-F141 HydrophobicContact CD1-CD2 4.36Å; W24-F141 HydrophobicContact CB-CE2 3.58Å; W24-F141 HydrophobicContact CB-CZ 3.8Å; W24-F141 AromaticContact CD1-CE2 3.63Å; W24-F141 AromaticContact CD1-CZ 3.59Å; W24-F141 HydrophobicContact CD2-CE2 4.04Å; W24-F141 AromaticContact CG-CE2 3.46Å; W24-F141 HydrophobicContact CG-CE2 3.46Å; W24-F141 VanDerWaalsContact CG-CE2 3.46Å; W24-F141 AromaticContact CG-CZ 3.79Å; W24-F141 HydrophobicContact CG-CZ 3.79Å; H25-F141 AromaticContact CE1-CD1 3.74Å; H25-F141 AromaticContact CE1-CE1 3.26Å; H25-F141 WeakPolarHBondContact CE1-CE1 3.38Å; H25-F141 AromaticContact CE1-CE2 3.81Å; H25-F141 AromaticContact CE1-CZ 3.27Å; H25-F141 WeakPolarHBondContact CE1-CZ 2.71Å; H25-F141 AromaticContact ND1-CE2 3.9Å; H25-F141 AromaticContact ND1-CZ 3.79Å; H25-F141 AromaticContact NE2-CE1 3.87Å; H25-F141 AromaticContact NE2-CZ 3.87Å; V135-F141 HydrophobicContact CG1-CD2 3.73Å; V135-F141 HydrophobicContact CG1-CE2 3.95Å; V135-F141 VanDerWaalsContact O-CB 3.22Å; V135-F141 WeakPolarHBondContact O-CB 3.44Å; V135-F141 WeakPolarHBondContact O-CG 3.39Å; Q136-F141 VanDerWaalsContact CA-CD1 3.5Å; Q136-F141 HydrophobicContact CB-CD1 3.91Å; Q136-F141 HydrophobicContact CB-CE1 3.87Å; Q136-F141 HydrophobicContact CB-CG 4.39Å; Q136-F141 HydrophobicContact CB-CZ 4.34Å; Q136-F141 HydrophobicContact CG-CD1 4.06Å; Q136-F141 HydrophobicContact CG-CD2 4.5Å; Q136-F141 HydrophobicContact CG-CE1 3.56Å; Q136-F141 HydrophobicContact CG-CE2 4.05Å; Q136-F141 HydrophobicContact CG-CZ 3.57Å; H138-F141 WeakPolarHBondContact O-CA 3.49Å; H138-F141 VanDerWaalsContact O-CB 3.25Å; H138-F141 WeakPolarHBondContact O-CB 3.39Å; H138-F141 PolarHBondContact O-N 2.97Å; A139-F141 PolarHBondContact O-N 2.83Å
142A84.1Confident95.3Very high106 Ų10651.8 Ų51.888%0.87633%0.328SS*.  trans-1200178.700000111.8T5 H25T5-A142 WeakPolarHBondContact CB-O 3.47Å; T5-A142 PolarHBondContact OG1-O 3Å; H25-A142 PolarHBondContact ND1-O 2.81Å

Retrieved 142 of 142 residues in 96.9 ms (Link to these results)

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