A0A077Z016_TRITR Loading...

Ras-related protein Rab-43

AlphaFold DB , UniProt , Accession A0A077Z016, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.4Very low67Low245 Ų245117.4 Ų117.4100%1.20759%0.593SS**  0120.20-71177.4-16700106.6Q3M1-Q3 PolarHBondContact O-N 3.29Å
2L47.8Very low69.3Low176 Ų176111.3 Ų111.392%0.92156%0.564SS**  trans-68.6114.3175-66.8166.5000107E4L2-E4 PolarHBondContact O-N 3.13Å
3Q41.9Very low71.4Confident166 Ų166103.1 Ų103.178%0.77652%0.522SS*.  trans-66.5112.8172.2-171.8169.22.400106.2M1M1-Q3 PolarHBondContact O-N 3.29Å
4E53.2Low73.1Confident132 Ų13298.2 Ų98.262%0.61750%0.495SS*.  trans-54.4139.4172.6-74-147.717100108.7L2 E6 S8L2-E4 PolarHBondContact O-N 3.13Å; E4-E6 PolarHBondContact O-N 3.48Å; E4-S8 PolarHBondContact OE2-OG 3.4Å
5P57.9Low74.6Confident93 Ų9391.7 Ų91.760%0.60446%0.462SS*.  trans-53.1131.9177.521.1-29.9000107.9D7 S8 R60P5-D7 PolarHBondContact O-N 3.22Å; P5-S8 PolarHBondContact O-N 3.43Å; P5-S8 PolarHBondContact O-OG 3.48Å; P5-R60 PolarHBondContact O-NH1 3.23Å
6E62.2Low75.9Confident153 Ų15386 Ų8672%0.71543%0.434SS*.THydrogen-bonded Turntrans-52.2-22.5-176.7-72.2-174.2156.700112.3E4 R60E4-E6 PolarHBondContact O-N 3.48Å; E6-R60 PolarHBondContact O-NH1 2.75Å; E6-R60 PolarHBondContact O-NH2 2.89Å
7D71.3Confident77Confident111 Ų11180.9 Ų80.959%0.59441%0.408SS*.THydrogen-bonded Turntrans-82.4-2.3176.3-79.5-43.1000117.7P5 F9 K62P5-D7 PolarHBondContact O-N 3.22Å; D7-F9 VanDerWaalsContact O-CD1 3.26Å; D7-F9 WeakPolarHBondContact O-CD1 2.96Å; D7-K62 IonicContact OD1-NZ 3.36Å; D7-K62 PolarHBondContact OD1-NZ 2.94Å
8S86.2Confident77.9Confident30 Ų3076.4 Ų76.421%0.2139%0.385CS..  trans-66.5136.6174.573.60000111.2E4 P5 R60E4-S8 PolarHBondContact OE2-OG 3.4Å; P5-S8 PolarHBondContact O-N 3.43Å; P5-S8 PolarHBondContact O-OG 3.48Å; S8-R60 WeakPolarHBondContact O-CD 3.46Å; S8-R60 VanDerWaalsContact O-CZ 3.31Å; S8-R60 PolarHBondContact O-NH1 3.07Å; S8-R60 PolarHBondContact OG-NH1 3.32Å
9F91.5Very high78.7Confident78 Ų7872.4 Ų72.434%0.34237%0.365SS..  trans-145.4147.1173.756.6-95.5000110.1D7 L12 K62D7-F9 VanDerWaalsContact O-CD1 3.26Å; D7-F9 WeakPolarHBondContact O-CD1 2.96Å; F9-L12 HydrophobicContact CD2-CB 3.92Å; F9-L12 HydrophobicContact CE2-CB 3.51Å; F9-L12 HydrophobicContact CE2-CD2 4.33Å; F9-L12 HydrophobicContact CE2-CG 4.39Å; F9-L12 HydrophobicContact CZ-CB 4.09Å; F9-L12 HydrophobicContact CZ-CD2 4.12Å; F9-K62 HydrophobicContact CB-CB 3.88Å; F9-K62 HydrophobicContact CD1-CB 4.17Å; F9-K62 HydrophobicContact CD1-CD 3.59Å; F9-K62 HydrophobicContact CE1-CD 4.01Å; F9-K62 HydrophobicContact CG-CB 3.97Å; F9-K62 HydrophobicContact CG-CD 4.27Å
10D93.2Very high79.3Confident75 Ų7570.5 Ų70.540%0.40136%0.356SS..SBendtrans-82.8-35.1172.4-62.5-94.7000111K59 R60D10-K59 HydrophobicContact CB-CB 4.22Å; D10-K59 HydrophobicContact CB-CD 3.99Å; D10-K59 VanDerWaalsContact OD1-CD 3.26Å; D10-K59 WeakPolarHBondContact OD1-CD 3.33Å; D10-K59 IonicContact OD1-NZ 3.91Å; D10-K59 PolarHBondContact OD1-NZ 3.15Å; D10-K59 WeakPolarHBondContact OD2-CA 3.42Å; D10-R60 PolarHBondContact N-O 2.82Å; D10-R60 PolarHBondContact OD2-N 2.99Å
11F95Very high79.8Confident32 Ų3272 Ų7214%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-134.7143.5-178.4-58.2-86.7000110.9F13 K59 R60 V61 K62 K183 Y186F11-F13 HydrophobicContact CB-CD2 4.49Å; F11-F13 HydrophobicContact CB-CE2 3.84Å; F11-F13 HydrophobicContact CB-CZ 3.87Å; F11-F13 HydrophobicContact CD1-CZ 4Å; F11-F13 HydrophobicContact CG-CE2 4.4Å; F11-F13 HydrophobicContact CG-CZ 4.19Å; F11-K59 HydrophobicContact CD2-CB 4.26Å; F11-K59 HydrophobicContact CE2-CB 3.99Å; F11-K59 HydrophobicContact CE2-CD 4.41Å; F11-K59 HydrophobicContact CE2-CG 4.07Å; F11-R60 PolarHBondContact N-O 3.29Å; F11-V61 HydrophobicContact CB-CG1 4.27Å; F11-V61 HydrophobicContact CB-CG2 4.29Å; F11-V61 HydrophobicContact CD2-CG2 4.08Å; F11-K62 PolarHBondContact O-N 3.08Å; F11-K183 HydrophobicContact CD1-CG 4.36Å; F11-K183 HydrophobicContact CD2-CD 4.29Å; F11-K183 HydrophobicContact CD2-CG 3.84Å; F11-K183 HydrophobicContact CE1-CG 4.11Å; F11-K183 HydrophobicContact CE2-CD 3.92Å; F11-K183 HydrophobicContact CE2-CG 3.57Å; F11-K183 HydrophobicContact CG-CG 4.24Å; F11-K183 HydrophobicContact CZ-CD 4.41Å; F11-K183 HydrophobicContact CZ-CG 3.72Å; F11-Y186 AromaticContact CD1-CD1 3.97Å; F11-Y186 HydrophobicContact CD1-CD1 3.97Å; F11-Y186 HydrophobicContact CD1-CE1 4.39Å; F11-Y186 HydrophobicContact CD1-CG 4.27Å; F11-Y186 AromaticContact CE1-CD1 3.52Å; F11-Y186 HydrophobicContact CE1-CD1 3.52Å; F11-Y186 HydrophobicContact CE1-CE1 4.06Å; F11-Y186 HydrophobicContact CE1-CG 4.16Å
12L94.9Very high82.3Confident45 Ų4563.4 Ų63.424%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-125.3120.6173178.867.7000109F9 K62 Q64F9-L12 HydrophobicContact CD2-CB 3.92Å; F9-L12 HydrophobicContact CE2-CB 3.51Å; F9-L12 HydrophobicContact CE2-CD2 4.33Å; F9-L12 HydrophobicContact CE2-CG 4.39Å; F9-L12 HydrophobicContact CZ-CB 4.09Å; F9-L12 HydrophobicContact CZ-CD2 4.12Å; L12-K62 WeakPolarHBondContact CA-O 3.42Å; L12-K62 HydrophobicContact CD1-CB 3.92Å; L12-K62 HydrophobicContact CD1-CD 4.29Å; L12-K62 HydrophobicContact CD1-CG 4.07Å; L12-Q64 HydrophobicContact CD1-CG 3.91Å
13F96.2Very high84.4Confident4 Ų455.2 Ų55.22%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-123.8133.6178.7-60.7-50.1000112.2F11 I15 V61 K62 L63 Q64 N86 L182 K183 L192F11-F13 HydrophobicContact CB-CD2 4.49Å; F11-F13 HydrophobicContact CB-CE2 3.84Å; F11-F13 HydrophobicContact CB-CZ 3.87Å; F11-F13 HydrophobicContact CD1-CZ 4Å; F11-F13 HydrophobicContact CG-CE2 4.4Å; F11-F13 HydrophobicContact CG-CZ 4.19Å; F13-I15 HydrophobicContact CB-CD1 4.35Å; F13-V61 HydrophobicContact CD2-CG1 3.62Å; F13-V61 HydrophobicContact CE2-CG1 3.82Å; F13-K62 PolarHBondContact N-O 3.32Å; F13-L63 HydrophobicContact CB-CD2 4.02Å; F13-L63 HydrophobicContact CD2-CD2 4.3Å; F13-L63 WeakPolarHBondContact O-CA 3.41Å; F13-Q64 PolarHBondContact O-N 3.42Å; F13-N86 WeakPolarHBondContact CA-OD1 3.29Å; F13-N86 HydrophobicContact CB-CB 4.32Å; F13-N86 HydrophobicContact CD1-CB 4.07Å; F13-L182 HydrophobicContact CB-CD1 3.99Å; F13-L182 HydrophobicContact CD1-CB 4.18Å; F13-L182 HydrophobicContact CD1-CD1 4.49Å; F13-L182 HydrophobicContact CD2-CB 3.73Å; F13-L182 HydrophobicContact CD2-CD1 4.09Å; F13-L182 HydrophobicContact CE1-CB 4.05Å; F13-L182 HydrophobicContact CE2-CB 3.57Å; F13-L182 HydrophobicContact CG-CB 4.05Å; F13-L182 HydrophobicContact CG-CD1 3.95Å; F13-L182 HydrophobicContact CZ-CB 3.75Å; F13-K183 HydrophobicContact CE2-CB 4.35Å; F13-L192 HydrophobicContact CD1-CD1 4.21Å; F13-L192 HydrophobicContact CE1-CD1 3.78Å
14K95.4Very high86.7Confident35 Ų3547.8 Ų47.815%0.15226%0.263CS..EExtended strand (participates in β ladder)trans-90.1118.8171.1-67.2178.2-175.9173.70109.6Q64 S84 N86 G87K14-Q64 CarbonylContact C-O 3.56Å; K14-Q64 WeakPolarHBondContact CA-O 3.39Å; K14-Q64 HydrophobicContact CG-CB 4.15Å; K14-Q64 VanDerWaalsContact CG-OE1 3.31Å; K14-S84 WeakPolarHBondContact CD-O 3.2Å; K14-S84 WeakPolarHBondContact CD-OG 3.41Å; K14-S84 PolarHBondContact NZ-OG 2.8Å; K14-N86 PolarHBondContact N-OD1 3.4Å; K14-N86 PolarHBondContact O-N 3.07Å; K14-G87 PolarHBondContact O-N 2.84Å; K14-G87 VanDerWaalsContact O-N 3.1Å
15I96.1Very high88.6Confident1 Ų142 Ų421%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-113.7128.6177.9-51.6-55.7000108.8F13 L17 L63 Q64 I65 W66 G87 I89 L178 L182F13-I15 HydrophobicContact CB-CD1 4.35Å; I15-L17 HydrophobicContact CG2-CD1 4.34Å; I15-L63 HydrophobicContact CG1-CD2 4.34Å; I15-Q64 PolarHBondContact N-O 3.28Å; I15-I65 HydrophobicContact CB-CG1 4.49Å; I15-I65 WeakPolarHBondContact O-CA 3.32Å; I15-W66 PolarHBondContact O-N 3.32Å; I15-G87 VanDerWaalsContact CA-O 3.29Å; I15-G87 WeakPolarHBondContact CA-O 3.42Å; I15-I89 HydrophobicContact CG2-CD1 3.74Å; I15-I89 HydrophobicContact CG2-CG1 3.87Å; I15-L178 HydrophobicContact CD1-CD2 3.78Å; I15-L178 HydrophobicContact CD1-CG 4.16Å; I15-L178 HydrophobicContact CG1-CD2 4.36Å; I15-L178 HydrophobicContact CG2-CD2 3.81Å; I15-L182 HydrophobicContact CD1-CD1 3.46Å; I15-L182 VanDerWaalsContact CD1-CD1 3.46Å
16V94.8Very high90.3Very high0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-111.5128.4175.5-174.10000109.1I18 W66 T68 Y82 A85 G87 I88 I89V16-I18 HydrophobicContact CG1-CG2 3.93Å; V16-W66 HydrophobicContact CG1-CB 4.48Å; V16-W66 HydrophobicContact CG2-CB 4.25Å; V16-T68 HydrophobicContact CG1-CG2 3.86Å; V16-Y82 HydrophobicContact CG1-CD1 4.46Å; V16-Y82 HydrophobicContact CG1-CE1 4.34Å; V16-A85 HydrophobicContact CG2-CB 3.75Å; V16-G87 PolarHBondContact N-O 3.16Å; V16-I88 WeakPolarHBondContact O-CA 3.31Å; V16-I89 PolarHBondContact O-N 3.44Å
17L94.9Very high91.7Very high0 Ų032 Ų320%018%0.183CC..EExtended strand (participates in β ladder)trans-96.4128.1172.4-76.778.2000109.5I15 K25 V29 I65 W66 T68 I89 F175I15-L17 HydrophobicContact CG2-CD1 4.34Å; L17-K25 HydrophobicContact CB-CB 4.45Å; L17-K25 HydrophobicContact CB-CD 4.3Å; L17-K25 HydrophobicContact CD2-CB 4.17Å; L17-V29 HydrophobicContact CD1-CG2 3.95Å; L17-V29 HydrophobicContact CD2-CG2 3.37Å; L17-V29 HydrophobicContact CG-CG2 4.27Å; L17-I65 HydrophobicContact CD1-CG2 3.34Å; L17-W66 PolarHBondContact N-O 3.38Å; L17-T68 WeakPolarHBondContact O-CB 3.5Å; L17-T68 WeakPolarHBondContact O-CG2 3.24Å; L17-T68 PolarHBondContact O-N 3.04Å; L17-T68 PolarHBondContact O-OG1 3.25Å; L17-I89 WeakPolarHBondContact CA-O 3.3Å; L17-I89 HydrophobicContact CD1-CD1 4.34Å; L17-I89 HydrophobicContact CG-CB 4.06Å; L17-I89 HydrophobicContact CG-CD1 4.4Å; L17-I89 HydrophobicContact CG-CG2 4.31Å; L17-F175 HydrophobicContact CD1-CE1 4.34Å
18I93.8Very high92.8Very high0 Ų026.7 Ų26.70%016%0.155CC..EExtended strand (participates in β ladder)trans-132.1166.5177.665.1177.7000111.3V16 K25 T68 T78 Y82 I88 I89 I90 C91 W106 V110V16-I18 HydrophobicContact CG1-CG2 3.93Å; I18-K25 VanDerWaalsContact C-CD 3.45Å; I18-K25 WeakPolarHBondContact O-CD 3.5Å; I18-T68 HydrophobicContact CG2-CG2 4.48Å; I18-T78 HydrophobicContact CG2-CG2 4.05Å; I18-Y82 HydrophobicContact CD1-CE1 4.11Å; I18-Y82 HydrophobicContact CG2-CE1 3.65Å; I18-I88 HydrophobicContact CD1-CG2 3.75Å; I18-I88 HydrophobicContact CG1-CG2 3.97Å; I18-I89 PolarHBondContact N-O 3.09Å; I18-I90 HydrophobicContact CD1-CG1 3.89Å; I18-I90 HydrophobicContact CG1-CB 4.27Å; I18-I90 HydrophobicContact CG1-CG1 3.85Å; I18-I90 HydrophobicContact CG1-CG2 4.25Å; I18-C91 PolarHBondContact O-N 3.37Å; I18-W106 HydrophobicContact CB-CD2 4.41Å; I18-W106 HydrophobicContact CB-CE3 3.94Å; I18-W106 HydrophobicContact CB-CZ3 4.28Å; I18-W106 HydrophobicContact CD1-CB 3.92Å; I18-W106 HydrophobicContact CD1-CE3 4.14Å; I18-W106 HydrophobicContact CG1-CB 4.44Å; I18-W106 HydrophobicContact CG1-CE3 4.39Å; I18-V110 HydrophobicContact CD1-CG2 3.5Å; I18-V110 VanDerWaalsContact CD1-CG2 3.5Å
19G92.8Very high93.2Very high0 Ų025.3 Ų25.30%015%0.146CC..  trans137.6168.9-173.100000111K25 G70 C91 W106G19-K25 PolarHBondContact O-NZ 3.31Å; G19-G70 WeakPolarHBondContact O-CA 3.36Å; G19-C91 WeakPolarHBondContact CA-O 3.33Å; G19-W106 WeakPolarHBondContact O-CZ2 3.34Å
20D91.3Very high93.3Very high33 Ų3323.4 Ų23.418%0.17614%0.138CC..  trans-62.9163.1-175.3-74.54.8000112.6V23 K25 S102 W106D20-V23 HydrophobicContact CB-CG1 3.89Å; D20-V23 VanDerWaalsContact O-CG2 3.28Å; D20-V23 WeakPolarHBondContact O-CG2 3.21Å; D20-K25 PolarHBondContact O-NZ 3.38Å; D20-S102 VanDerWaalsContact OD1-CB 3.27Å; D20-S102 WeakPolarHBondContact OD1-CB 3.11Å; D20-S102 PolarHBondContact OD1-OG 2.89Å; D20-S102 WeakPolarHBondContact OD2-CB 3.18Å; D20-S102 PolarHBondContact OD2-OG 3.14Å; D20-W106 PolarHBondContact OD1-NE1 3.2Å
21M89.2Confident93.3Very high103 Ų10321.7 Ų21.751%0.50713%0.126SC..THydrogen-bonded Turntrans-62.8137172.4-174.5-179.970.600109.6V23 T43 G70 Q71M21-V23 PolarHBondContact O-N 3.28Å; M21-T43 HydrophobicContact CG-CG2 3.99Å; M21-T43 HydrophobicContact SD-CG2 3.51Å; M21-T43 VanDerWaalsContact SD-CG2 3.51Å; M21-G70 PolarHBondContact N-O 2.66Å; M21-Q71 HydrophobicContact SD-CG 3.78Å
22G88.2Confident93.3Very high65 Ų6520.5 Ų20.567%0.6712%0.12SC*.THydrogen-bonded Turntrans88.3-12.1175.300000115.8G24G22-G24 PolarHBondContact O-N 3.2Å
23V91.8Very high93.3Very high3 Ų322 Ų222%0.01813%0.125CC..SBendtrans-66.6-5.8179.7-53.40000114.6D20 M21 K25 C91 D93 N125 N127D20-V23 HydrophobicContact CB-CG1 3.89Å; D20-V23 VanDerWaalsContact O-CG2 3.28Å; D20-V23 WeakPolarHBondContact O-CG2 3.21Å; M21-V23 PolarHBondContact O-N 3.28Å; V23-K25 HydrophobicContact CG2-CD 4.33Å; V23-K25 HydrophobicContact CG2-CG 3.69Å; V23-C91 HydrophobicContact CG2-CB 3.75Å; V23-D93 HydrophobicContact CB-CB 4.44Å; V23-D93 HydrophobicContact CG1-CB 4.44Å; V23-N125 PolarHBondContact O-ND2 2.95Å; V23-N127 VanDerWaalsContact C-ND2 3.25Å; V23-N127 PolarHBondContact O-ND2 3.09Å
24G91.6Very high93Very high11 Ų1126.2 Ų26.211%0.11315%0.148CC..SBendtrans94.216.9172.700000116.4G22 T26 C27 V28G22-G24 PolarHBondContact O-N 3.2Å; G24-T26 PolarHBondContact O-N 2.74Å; G24-C27 WeakPolarHBondContact O-CA 3.35Å; G24-C27 WeakPolarHBondContact O-CB 3.4Å; G24-C27 PolarHBondContact O-N 3.05Å; G24-V28 WeakPolarHBondContact O-CG2 3.37Å; G24-V28 PolarHBondContact O-N 3.3Å
25K93Very high92.8Very high10 Ų1026.7 Ų26.74%0.04316%0.162CC..Hα-helixtrans-48.5-53.2176.8-57.8-173.4-62.4-75.70113L17 I18 G19 D20 V23 C27 V28 V29 D67 T68 C91L17-K25 HydrophobicContact CB-CB 4.45Å; L17-K25 HydrophobicContact CB-CD 4.3Å; L17-K25 HydrophobicContact CD2-CB 4.17Å; I18-K25 VanDerWaalsContact C-CD 3.45Å; I18-K25 WeakPolarHBondContact O-CD 3.5Å; G19-K25 PolarHBondContact O-NZ 3.31Å; D20-K25 PolarHBondContact O-NZ 3.38Å; V23-K25 HydrophobicContact CG2-CD 4.33Å; V23-K25 HydrophobicContact CG2-CG 3.69Å; K25-C27 VanDerWaalsContact C-N 3.31Å; K25-C27 PolarHBondContact O-N 2.76Å; K25-V28 WeakPolarHBondContact O-CB 3.17Å; K25-V28 PolarHBondContact O-N 2.8Å; K25-V28 VanDerWaalsContact O-N 3.14Å; K25-V29 WeakPolarHBondContact O-CG2 3.38Å; K25-V29 PolarHBondContact O-N 3.12Å; K25-D67 VanDerWaalsContact CB-OD1 3.25Å; K25-D67 WeakPolarHBondContact CB-OD1 3.2Å; K25-T68 WeakPolarHBondContact CE-O 3.19Å; K25-C91 HydrophobicContact CD-CB 4.45Å; K25-C91 HydrophobicContact CG-CB 3.81Å
26T92.4Very high92.4Very high22 Ų2229.7 Ų29.714%0.13518%0.181CC..Hα-helixtrans-60.8-39.6177.5-48.50000112G24 V29 Q30 T44 D67G24-T26 PolarHBondContact O-N 2.74Å; T26-V29 PolarHBondContact O-N 3.02Å; T26-Q30 HydrophobicContact CG2-CG 4.24Å; T26-Q30 WeakPolarHBondContact O-CB 3.26Å; T26-Q30 WeakPolarHBondContact O-CG 3.41Å; T26-Q30 PolarHBondContact O-N 3.21Å; T26-T44 PolarHBondContact OG1-OG1 2.74Å; T26-D67 WeakPolarHBondContact CA-OD2 3.47Å; T26-D67 WeakPolarHBondContact CB-OD2 3.43Å; T26-D67 WeakPolarHBondContact CG2-OD2 3.17Å; T26-D67 PolarHBondContact OG1-OD2 3.4Å
27C92.9Very high92Very high13 Ų1332.5 Ų32.59%0.08819%0.192CC..Hα-helixtrans-63.1-42.6175.6-61.30000111.7G24 K25 R31 Y37 Q41 A165G24-C27 WeakPolarHBondContact O-CA 3.35Å; G24-C27 WeakPolarHBondContact O-CB 3.4Å; G24-C27 PolarHBondContact O-N 3.05Å; K25-C27 VanDerWaalsContact C-N 3.31Å; K25-C27 PolarHBondContact O-N 2.76Å; C27-R31 WeakPolarHBondContact O-CB 3.24Å; C27-R31 PolarHBondContact O-N 2.91Å; C27-Y37 HydrophobicContact CB-CD2 4.15Å; C27-Y37 HydrophobicContact CB-CE2 4.13Å; C27-Q41 VanDerWaalsContact SG-CG 3.59Å; C27-A165 HydrophobicContact CB-CB 3.63Å
28V93.6Very high91.5Very high0 Ų036.8 Ų36.80%021%0.214CC..Hα-helixtrans-61.7-46.2176.1169.40000110.7G24 K25 R31 F32 A165 I171 F175G24-V28 WeakPolarHBondContact O-CG2 3.37Å; G24-V28 PolarHBondContact O-N 3.3Å; K25-V28 WeakPolarHBondContact O-CB 3.17Å; K25-V28 PolarHBondContact O-N 2.8Å; K25-V28 VanDerWaalsContact O-N 3.14Å; V28-R31 PolarHBondContact O-N 3.42Å; V28-F32 WeakPolarHBondContact O-CB 3.07Å; V28-F32 PolarHBondContact O-N 3.15Å; V28-A165 HydrophobicContact CG2-CB 4.16Å; V28-I171 HydrophobicContact CB-CD1 4.31Å; V28-I171 HydrophobicContact CG1-CD1 4.06Å; V28-I171 HydrophobicContact CG2-CD1 3.97Å; V28-F175 HydrophobicContact CG1-CE2 3.73Å; V28-F175 HydrophobicContact CG1-CZ 4.1Å
29V94.7Very high90.7Very high2 Ų243.7 Ų43.71%0.01225%0.246CC..Hα-helixtrans-65.9-45.7178.4176.50000111.8L17 K25 T26 R31 F32 K33 T50 I65 D67 F175L17-V29 HydrophobicContact CD1-CG2 3.95Å; L17-V29 HydrophobicContact CD2-CG2 3.37Å; L17-V29 HydrophobicContact CG-CG2 4.27Å; K25-V29 WeakPolarHBondContact O-CG2 3.38Å; K25-V29 PolarHBondContact O-N 3.12Å; T26-V29 PolarHBondContact O-N 3.02Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.17Å; V29-F32 PolarHBondContact O-N 2.89Å; V29-K33 VanDerWaalsContact O-CB 3.25Å; V29-K33 WeakPolarHBondContact O-CB 3.29Å; V29-K33 PolarHBondContact O-N 2.89Å; V29-T50 HydrophobicContact CG1-CG2 4.19Å; V29-I65 HydrophobicContact CG1-CG2 4.1Å; V29-I65 HydrophobicContact CG2-CG2 3.83Å; V29-D67 HydrophobicContact CG2-CB 4.25Å; V29-F175 HydrophobicContact CG2-CZ 4.33Å
30Q93.2Very high89.9Confident38 Ų3854.4 Ų54.418%0.17829%0.287CS..Hα-helixtrans-64.1-40.3178.6-70.8-64.3-24.300111.6T26 K33 N34 T36T26-Q30 HydrophobicContact CG2-CG 4.24Å; T26-Q30 WeakPolarHBondContact O-CB 3.26Å; T26-Q30 WeakPolarHBondContact O-CG 3.41Å; T26-Q30 PolarHBondContact O-N 3.21Å; Q30-K33 PolarHBondContact O-N 3.34Å; Q30-N34 PolarHBondContact O-N 3.36Å; Q30-N34 PolarHBondContact OE1-ND2 3.01Å; Q30-N34 VanDerWaalsContact OE1-ND2 3.13Å; Q30-T36 CarbonylContact C-O 3.34Å
31R94.1Very high89Confident39 Ų3956.1 Ų56.115%0.14729%0.293CS..Hα-helixtrans-64.5-45.6175.5-176.764.376.2169.422.2110.9C27 V28 V29 K33 G35 T36 A165 K166 N168 I171C27-R31 WeakPolarHBondContact O-CB 3.24Å; C27-R31 PolarHBondContact O-N 2.91Å; V28-R31 PolarHBondContact O-N 3.42Å; V29-R31 VanDerWaalsContact C-N 3.33Å; V29-R31 PolarHBondContact O-N 3.17Å; R31-K33 PolarHBondContact O-N 2.79Å; R31-G35 PolarHBondContact NH1-O 3.17Å; R31-G35 WeakPolarHBondContact O-CA 3.47Å; R31-G35 PolarHBondContact O-N 2.88Å; R31-T36 VanDerWaalsContact CA-O 3.3Å; R31-T36 WeakPolarHBondContact CA-O 3.27Å; R31-T36 PolarHBondContact N-O 3Å; R31-A165 VanDerWaalsContact CZ-O 3.25Å; R31-A165 PolarHBondContact NE-O 3.15Å; R31-A165 PolarHBondContact NH2-O 2.66Å; R31-K166 PolarHBondContact NH2-O 2.83Å; R31-N168 WeakPolarHBondContact CD-OD1 3.42Å; R31-N168 HydrophobicContact CG-CB 4.31Å; R31-N168 WeakPolarHBondContact CG-OD1 3.29Å; R31-I171 HydrophobicContact CB-CG2 4.22Å; R31-I171 HydrophobicContact CG-CB 4.36Å; R31-I171 HydrophobicContact CG-CG1 3.99Å; R31-I171 HydrophobicContact CG-CG2 4.08Å
32F95.2Very high88.5Confident7 Ų754 Ų543%0.03130%0.298CS..Hα-helixtrans-61.1-45.8175.9175.8-117.7000111.7V28 V29 K52 L54 L63 I65 I171 F175V28-F32 WeakPolarHBondContact O-CB 3.07Å; V28-F32 PolarHBondContact O-N 3.15Å; V29-F32 PolarHBondContact O-N 2.89Å; F32-K52 HydrophobicContact CD1-CD 3.95Å; F32-K52 HydrophobicContact CE1-CB 3.88Å; F32-K52 HydrophobicContact CE1-CD 3.53Å; F32-K52 HydrophobicContact CE1-CG 3.85Å; F32-K52 HydrophobicContact CE2-CD 4.16Å; F32-K52 HydrophobicContact CG-CD 4.44Å; F32-K52 HydrophobicContact CZ-CB 4.45Å; F32-K52 HydrophobicContact CZ-CD 3.65Å; F32-K52 HydrophobicContact CZ-CG 3.97Å; F32-K52 PolarHBondContact O-NZ 2.85Å; F32-L54 HydrophobicContact CE2-CD2 4.05Å; F32-L54 HydrophobicContact CZ-CD1 4.04Å; F32-L54 HydrophobicContact CZ-CD2 3.78Å; F32-L54 HydrophobicContact CZ-CG 4.16Å; F32-L63 HydrophobicContact CE1-CD1 4.34Å; F32-L63 HydrophobicContact CZ-CD1 4.27Å; F32-I65 HydrophobicContact CD1-CD1 3.7Å; F32-I65 HydrophobicContact CE1-CD1 3.6Å; F32-I171 HydrophobicContact CB-CG2 3.68Å; F32-F175 HydrophobicContact CB-CD2 3.7Å; F32-F175 HydrophobicContact CB-CE2 3.52Å; F32-F175 HydrophobicContact CB-CZ 4.3Å; F32-F175 HydrophobicContact CD1-CB 4.38Å; F32-F175 HydrophobicContact CD1-CD1 4.04Å; F32-F175 AromaticContact CD1-CD2 3.7Å; F32-F175 HydrophobicContact CD1-CD2 3.7Å; F32-F175 HydrophobicContact CD1-CE1 4.23Å; F32-F175 AromaticContact CD1-CE2 3.92Å; F32-F175 HydrophobicContact CD1-CE2 3.92Å; F32-F175 AromaticContact CD1-CG 3.77Å; F32-F175 HydrophobicContact CD1-CG 3.77Å; F32-F175 HydrophobicContact CD1-CZ 4.18Å; F32-F175 HydrophobicContact CD2-CB 3.98Å; F32-F175 AromaticContact CD2-CD2 3.52Å; F32-F175 HydrophobicContact CD2-CD2 3.52Å; F32-F175 HydrophobicContact CD2-CE2 4.26Å; F32-F175 AromaticContact CD2-CG 3.91Å; F32-F175 HydrophobicContact CD2-CG 3.91Å; F32-F175 HydrophobicContact CE1-CB 3.99Å; F32-F175 AromaticContact CE1-CD1 3.99Å; F32-F175 HydrophobicContact CE1-CD1 3.99Å; F32-F175 HydrophobicContact CE1-CD2 4.17Å; F32-F175 AromaticContact CE1-CG 3.78Å; F32-F175 HydrophobicContact CE1-CG 3.78Å; F32-F175 HydrophobicContact CE2-CB 3.55Å; F32-F175 HydrophobicContact CE2-CD2 4.02Å; F32-F175 AromaticContact CE2-CG 3.93Å; F32-F175 HydrophobicContact CE2-CG 3.93Å; F32-F175 HydrophobicContact CG-CB 4.37Å; F32-F175 AromaticContact CG-CD2 3.34Å; F32-F175 HydrophobicContact CG-CD2 3.34Å; F32-F175 AromaticContact CG-CE2 3.64Å; F32-F175 HydrophobicContact CG-CE2 3.64Å; F32-F175 AromaticContact CG-CG 3.83Å; F32-F175 HydrophobicContact CG-CG 3.83Å; F32-F175 HydrophobicContact CG-CZ 4.34Å; F32-F175 HydrophobicContact CZ-CB 3.54Å; F32-F175 HydrophobicContact CZ-CD1 4.41Å; F32-F175 HydrophobicContact CZ-CD2 4.31Å; F32-F175 AromaticContact CZ-CG 3.85Å; F32-F175 HydrophobicContact CZ-CG 3.85Å
33K93.4Very high88.2Confident77 Ų7754.4 Ų54.434%0.33529%0.288SS..Hα-helixtrans-68.5-56.8-175.4-171.2-167.5-170.4160.70112.2V29 Q30 R31 T50V29-K33 VanDerWaalsContact O-CB 3.25Å; V29-K33 WeakPolarHBondContact O-CB 3.29Å; V29-K33 PolarHBondContact O-N 2.89Å; Q30-K33 PolarHBondContact O-N 3.34Å; R31-K33 PolarHBondContact O-N 2.79Å; K33-T50 HydrophobicContact CB-CG2 4.03Å; K33-T50 HydrophobicContact CD-CG2 3.48Å; K33-T50 VanDerWaalsContact CD-CG2 3.48Å; K33-T50 HydrophobicContact CG-CG2 3.67Å; K33-T50 PolarHBondContact NZ-OG1 3.05Å
34N91Very high87.4Confident92 Ų9255.5 Ų55.549%0.49229%0.294SS..Hα-helixtrans-111.8-6.7-164.6-63.7-26.2000113.2Q30 T36Q30-N34 PolarHBondContact O-N 3.36Å; Q30-N34 PolarHBondContact OE1-ND2 3.01Å; Q30-N34 VanDerWaalsContact OE1-ND2 3.13Å; N34-T36 HydrophobicContact CB-CG2 4.1Å; N34-T36 WeakPolarHBondContact CB-OG1 3.3Å; N34-T36 PolarHBondContact O-N 3.35Å
35G90.6Very high86.7Confident44 Ų4461.7 Ų61.745%0.45432%0.324SS..SBendtrans70.48.8-170.600000113.5R31R31-G35 PolarHBondContact NH1-O 3.17Å; R31-G35 WeakPolarHBondContact O-CA 3.47Å; R31-G35 PolarHBondContact O-N 2.88Å
36T88.6Confident85.9Confident65 Ų6561.9 Ų61.940%0.39933%0.328SS..  trans-103.1151.7-175.1570000112.6Q30 R31 N34Q30-T36 CarbonylContact C-O 3.34Å; R31-T36 VanDerWaalsContact CA-O 3.3Å; R31-T36 WeakPolarHBondContact CA-O 3.27Å; R31-T36 PolarHBondContact N-O 3Å; N34-T36 HydrophobicContact CB-CG2 4.1Å; N34-T36 WeakPolarHBondContact CB-OG1 3.3Å; N34-T36 PolarHBondContact O-N 3.35Å
37Y86.4Confident85.6Confident58 Ų5862.5 Ų62.523%0.22733%0.332CS..  trans-133.8139.3170.5172-94.5000109.9C27 E39 A165 K166C27-Y37 HydrophobicContact CB-CD2 4.15Å; C27-Y37 HydrophobicContact CB-CE2 4.13Å; Y37-E39 HydrophobicContact CE1-CB 4.03Å; Y37-A165 HydrophobicContact CD2-CB 4Å; Y37-A165 WeakPolarHBondContact CD2-O 3.31Å; Y37-A165 HydrophobicContact CE2-CB 4.15Å; Y37-K166 HydrophobicContact CE1-CB 4.15Å; Y37-K166 HydrophobicContact CE1-CG 3.97Å; Y37-K166 HydrophobicContact CE2-CB 4.02Å
38I84.1Confident85.4Confident91 Ų9165 Ų6547%0.46734%0.344SS..  trans-121.1120.7176.2-54.6178.8000105.3R40 Q41I38-R40 VanDerWaalsContact C-N 3.32Å; I38-R40 PolarHBondContact O-N 3.42Å; I38-Q41 HydrophobicContact CB-CG 4.26Å
39E77.1Confident85.2Confident144 Ų14468.8 Ų68.867%0.67336%0.361SS*.SBendtrans-64.4-36.8-174-174.5173-156.900112.5Y37Y37-E39 HydrophobicContact CE1-CB 4.03Å
40R75.1Confident85.1Confident226 Ų22668.8 Ų68.885%0.85336%0.361SS*.SBendtrans-111.473.5179.7-63.1-175.2-176.8-169.7-0110.8I38I38-R40 VanDerWaalsContact C-N 3.32Å; I38-R40 PolarHBondContact O-N 3.42Å
41Q73.8Confident85.2Confident68 Ų6870.4 Ų70.432%0.31837%0.369SS..PPolyproline II helixtrans-71.5135168.9-70.8-68.53.400110.3C27 I38C27-Q41 VanDerWaalsContact SG-CG 3.59Å; I38-Q41 HydrophobicContact CB-CG 4.26Å
42G77.5Confident85.2Confident59 Ų5971.2 Ų71.261%0.60837%0.374SS*.PPolyproline II helixtrans-68.3163.4169.100000111.2T44G42-T44 PolarHBondContact O-N 3.44Å
43T81.8Confident85.2Confident73 Ų7373.2 Ų73.245%0.44839%0.387SS..PPolyproline II helixtrans-64.9126.5174.1-52.80000110.7M21 I45 Q71M21-T43 HydrophobicContact CG-CG2 3.99Å; M21-T43 HydrophobicContact SD-CG2 3.51Å; M21-T43 VanDerWaalsContact SD-CG2 3.51Å; T43-I45 PolarHBondContact O-N 3.37Å; T43-Q71 HydrophobicContact CG2-CG 4.43Å
44T74.8Confident85.2Confident26 Ų2670.2 Ų70.216%0.1637%0.374CS..PPolyproline II helixtrans-63.4119.2172.9-49.80000110.1T26 G42 D48 G69T26-T44 PolarHBondContact OG1-OG1 2.74Å; G42-T44 PolarHBondContact O-N 3.44Å; T44-D48 HydrophobicContact CG2-CB 4.48Å; T44-G69 WeakPolarHBondContact O-CA 3.5Å
45I76.6Confident85.4Confident142 Ų14271.4 Ų71.473%0.72838%0.379SS*.PPolyproline II helixtrans-92.9119.6176.1-59.9176.1000107.7T43 F74T43-I45 PolarHBondContact O-N 3.37Å; I45-F74 HydrophobicContact CG2-CZ 3.95Å
46G78Confident85.6Confident13 Ų1369.5 Ų69.513%0.13436%0.359CS..SBendtrans74.4-125-178.500000112.6G69G46-G69 PolarHBondContact O-N 3.42Å
47V84Confident85.8Confident35 Ų3571.4 Ų71.421%0.21237%0.366CS..EExtended strand (participates in β ladder)trans-136.3130-178.1-177.20000109.4W66 D67 T68 I77 Y81V47-W66 HydrophobicContact CG1-CB 4.03Å; V47-W66 HydrophobicContact CG1-CE3 3.83Å; V47-D67 CarbonylContact C-O 3.59Å; V47-D67 VanDerWaalsContact CA-O 3.25Å; V47-D67 WeakPolarHBondContact CA-O 3.41Å; V47-D67 WeakPolarHBondContact CG1-O 3.37Å; V47-T68 HydrophobicContact CG1-CG2 4.36Å; V47-T68 HydrophobicContact CG2-CG2 4.12Å; V47-I77 HydrophobicContact CG2-CG2 3.99Å; V47-Y81 HydrophobicContact CB-CE2 4.13Å; V47-Y81 HydrophobicContact CG1-CE2 4.28Å; V47-Y81 HydrophobicContact CG2-CD2 4.08Å; V47-Y81 HydrophobicContact CG2-CE2 3.56Å
48D88.8Confident86.1Confident66 Ų6671.8 Ų71.835%0.35339%0.388SS..EExtended strand (participates in β ladder)trans-96.6145.4171.7-170.829.2000110.6T44 D67T44-D48 HydrophobicContact CG2-CB 4.48Å; D48-D67 HydrophobicContact CB-CB 4.34Å; D48-D67 PolarHBondContact N-O 3.45Å; D48-D67 PolarHBondContact O-N 3.47Å
49F90.4Very high86.6Confident80 Ų8071.7 Ų71.735%0.35139%0.385SS..EExtended strand (participates in β ladder)trans-118.3126.5-175.2177-105.1000111M51 Q64 W66F49-M51 HydrophobicContact CD1-CG 4.47Å; F49-M51 HydrophobicContact CE1-CG 3.44Å; F49-M51 VanDerWaalsContact CE1-CG 3.44Å; F49-M51 HydrophobicContact CE1-SD 3.85Å; F49-M51 HydrophobicContact CE2-CG 4.32Å; F49-M51 HydrophobicContact CZ-CG 3.35Å; F49-M51 HydrophobicContact CZ-SD 3.79Å; F49-Q64 HydrophobicContact CE2-CB 3.85Å; F49-Q64 HydrophobicContact CE2-CG 3.91Å; F49-Q64 HydrophobicContact CZ-CB 4.33Å; F49-Q64 HydrophobicContact CZ-CG 3.89Å; F49-W66 HydrophobicContact CB-CE3 4.3Å; F49-W66 HydrophobicContact CB-CZ3 4.2Å; F49-W66 AromaticContact CD2-CD2 3.79Å; F49-W66 HydrophobicContact CD2-CD2 3.79Å; F49-W66 AromaticContact CD2-CE2 3.67Å; F49-W66 AromaticContact CD2-CE3 3.84Å; F49-W66 HydrophobicContact CD2-CE3 3.84Å; F49-W66 AromaticContact CD2-CH2 3.78Å; F49-W66 HydrophobicContact CD2-CH2 3.78Å; F49-W66 AromaticContact CD2-CZ2 3.69Å; F49-W66 HydrophobicContact CD2-CZ2 3.69Å; F49-W66 AromaticContact CD2-CZ3 3.83Å; F49-W66 HydrophobicContact CD2-CZ3 3.83Å; F49-W66 HydrophobicContact CE2-CD2 4.38Å; F49-W66 AromaticContact CE2-CE2 3.81Å; F49-W66 HydrophobicContact CE2-CH2 4.15Å; F49-W66 AromaticContact CE2-CZ2 3.7Å; F49-W66 HydrophobicContact CE2-CZ2 3.7Å; F49-W66 HydrophobicContact CG-CH2 4.44Å; F49-W66 HydrophobicContact CG-CZ3 4.3Å
50T93.1Very high87.4Confident2 Ų268 Ų681%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-131.4137.2177.2-80.30000110.8V29 K33 I65V29-T50 HydrophobicContact CG1-CG2 4.19Å; K33-T50 HydrophobicContact CB-CG2 4.03Å; K33-T50 HydrophobicContact CD-CG2 3.48Å; K33-T50 VanDerWaalsContact CD-CG2 3.48Å; K33-T50 HydrophobicContact CG-CG2 3.67Å; K33-T50 PolarHBondContact NZ-OG1 3.05Å; T50-I65 PolarHBondContact N-O 2.97Å; T50-I65 WeakPolarHBondContact O-CB 3.28Å; T50-I65 PolarHBondContact O-N 3.2Å
51M94.1Very high88.4Confident71 Ų7157.2 Ų57.235%0.3532%0.324SS..EExtended strand (participates in β ladder)trans-109.4139169.6-63.3-171.38000110.7F49 K62 L63 Q64F49-M51 HydrophobicContact CD1-CG 4.47Å; F49-M51 HydrophobicContact CE1-CG 3.44Å; F49-M51 VanDerWaalsContact CE1-CG 3.44Å; F49-M51 HydrophobicContact CE1-SD 3.85Å; F49-M51 HydrophobicContact CE2-CG 4.32Å; F49-M51 HydrophobicContact CZ-CG 3.35Å; F49-M51 HydrophobicContact CZ-SD 3.79Å; M51-K62 HydrophobicContact CE-CD 3.49Å; M51-K62 VanDerWaalsContact CE-CD 3.49Å; M51-K62 HydrophobicContact CE-CG 3.77Å; M51-L63 VanDerWaalsContact CA-O 3.29Å; M51-L63 WeakPolarHBondContact CA-O 3.41Å; M51-Q64 HydrophobicContact CE-CG 3.81Å; M51-Q64 HydrophobicContact CG-CG 4.37Å
52K94.5Very high89.5Confident56 Ų5655.1 Ų55.124%0.24331%0.314CS..EExtended strand (participates in β ladder)trans-146.5134.8171.2178.3152.7171.9167.70110.3F32 L54 L63F32-K52 HydrophobicContact CD1-CD 3.95Å; F32-K52 HydrophobicContact CE1-CB 3.88Å; F32-K52 HydrophobicContact CE1-CD 3.53Å; F32-K52 HydrophobicContact CE1-CG 3.85Å; F32-K52 HydrophobicContact CE2-CD 4.16Å; F32-K52 HydrophobicContact CG-CD 4.44Å; F32-K52 HydrophobicContact CZ-CB 4.45Å; F32-K52 HydrophobicContact CZ-CD 3.65Å; F32-K52 HydrophobicContact CZ-CG 3.97Å; F32-K52 PolarHBondContact O-NZ 2.85Å; K52-L54 HydrophobicContact CG-CD2 4.43Å; K52-L63 PolarHBondContact N-O 2.89Å; K52-L63 VanDerWaalsContact N-O 3.09Å; K52-L63 PolarHBondContact O-N 2.94Å
53T94.8Very high90.4Very high50 Ų5052.4 Ų52.431%0.30729%0.285SS..EExtended strand (participates in β ladder)trans-98.6130.8175.2-56.30000109.6R60 V61T53-R60 HydrophobicContact CG2-CB 4.22Å; T53-V61 CarbonylContact C-O 3.5Å; T53-V61 WeakPolarHBondContact CA-O 3.42Å
54L95Very high91.1Very high13 Ų1350.5 Ų50.57%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-109.4154.4172.9-61.2-179.2000110F32 K52 I56 V61 L63 A179F32-L54 HydrophobicContact CE2-CD2 4.05Å; F32-L54 HydrophobicContact CZ-CD1 4.04Å; F32-L54 HydrophobicContact CZ-CD2 3.78Å; F32-L54 HydrophobicContact CZ-CG 4.16Å; K52-L54 HydrophobicContact CG-CD2 4.43Å; L54-I56 HydrophobicContact CB-CD1 4.27Å; L54-I56 HydrophobicContact CB-CG1 4.11Å; L54-I56 HydrophobicContact CD1-CD1 4.26Å; L54-V61 PolarHBondContact N-O 2.79Å; L54-V61 PolarHBondContact O-N 3.26Å; L54-L63 HydrophobicContact CD1-CD1 3.81Å; L54-L63 HydrophobicContact CG-CD1 4.37Å; L54-A179 HydrophobicContact CD1-CB 4.24Å
55I94.9Very high92.1Very high117 Ų11749.2 Ų49.260%0.626%0.263SS*.EExtended strand (participates in β ladder)trans-105.8113.1168.5-54.3-59.3000107.7K59 R60I55-K59 WeakPolarHBondContact CA-O 3.22Å; I55-R60 HydrophobicContact CD1-CB 4.34Å; I55-R60 HydrophobicContact CD1-CG 3.68Å
56I94.8Very high92.9Very high4 Ų445.1 Ų45.12%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-125.8113.3-177.7-55.8-178.7000108.6L54 G58 K59 V61 T176 A179 R180L54-I56 HydrophobicContact CB-CD1 4.27Å; L54-I56 HydrophobicContact CB-CG1 4.11Å; L54-I56 HydrophobicContact CD1-CD1 4.26Å; I56-G58 VanDerWaalsContact C-N 3.28Å; I56-G58 PolarHBondContact O-N 3.14Å; I56-K59 PolarHBondContact N-O 3.4Å; I56-K59 WeakPolarHBondContact O-CB 3.37Å; I56-K59 PolarHBondContact O-N 3.02Å; I56-V61 HydrophobicContact CB-CG2 4.21Å; I56-V61 HydrophobicContact CD1-CB 4.42Å; I56-V61 HydrophobicContact CD1-CG2 4.24Å; I56-V61 HydrophobicContact CG1-CG2 4.34Å; I56-T176 HydrophobicContact CD1-CG2 4.22Å; I56-T176 HydrophobicContact CG1-CG2 4.44Å; I56-A179 HydrophobicContact CD1-CB 3.44Å; I56-A179 VanDerWaalsContact CD1-CB 3.44Å; I56-R180 HydrophobicContact CG2-CB 4.22Å; I56-R180 HydrophobicContact CG2-CG 4.36Å
57D93.2Very high93.5Very high105 Ų10544.6 Ų44.656%0.56123%0.233SC*.THydrogen-bonded Turntrans50.746.7-177-40.2-46.3000112.5K59 K183D57-K59 PolarHBondContact O-N 3.14Å; D57-K183 IonicContact OD2-NZ 3.76Å; D57-K183 PolarHBondContact OD2-NZ 2.84Å
58G92.8Very high93.6Very high67 Ų6742.9 Ų42.969%0.69122%0.223SC*.THydrogen-bonded Turntrans75.82.1-179.800000115.5I56I56-G58 VanDerWaalsContact C-N 3.28Å; I56-G58 PolarHBondContact O-N 3.14Å
59K94.1Very high93.1Very high89 Ų8939.8 Ų39.839%0.38721%0.206SC..EExtended strand (participates in β ladder)trans-103.6138.1179.7-62.4-65.5-170.6177.40112D10 F11 I55 I56 D57 V61D10-K59 HydrophobicContact CB-CB 4.22Å; D10-K59 HydrophobicContact CB-CD 3.99Å; D10-K59 VanDerWaalsContact OD1-CD 3.26Å; D10-K59 WeakPolarHBondContact OD1-CD 3.33Å; D10-K59 IonicContact OD1-NZ 3.91Å; D10-K59 PolarHBondContact OD1-NZ 3.15Å; D10-K59 WeakPolarHBondContact OD2-CA 3.42Å; F11-K59 HydrophobicContact CD2-CB 4.26Å; F11-K59 HydrophobicContact CE2-CB 3.99Å; F11-K59 HydrophobicContact CE2-CD 4.41Å; F11-K59 HydrophobicContact CE2-CG 4.07Å; I55-K59 WeakPolarHBondContact CA-O 3.22Å; I56-K59 PolarHBondContact N-O 3.4Å; I56-K59 WeakPolarHBondContact O-CB 3.37Å; I56-K59 PolarHBondContact O-N 3.02Å; D57-K59 PolarHBondContact O-N 3.14Å; K59-V61 PolarHBondContact O-N 2.76Å
60R94.3Very high92Very high66 Ų6636.6 Ų36.625%0.24920%0.195CC..EExtended strand (participates in β ladder)trans-82.1106.9175.2-60-170.786.3-158.6-2.1109P5 E6 S8 D10 F11 T53 I55P5-R60 PolarHBondContact O-NH1 3.23Å; E6-R60 PolarHBondContact O-NH1 2.75Å; E6-R60 PolarHBondContact O-NH2 2.89Å; S8-R60 WeakPolarHBondContact O-CD 3.46Å; S8-R60 VanDerWaalsContact O-CZ 3.31Å; S8-R60 PolarHBondContact O-NH1 3.07Å; S8-R60 PolarHBondContact OG-NH1 3.32Å; D10-R60 PolarHBondContact N-O 2.82Å; D10-R60 PolarHBondContact OD2-N 2.99Å; F11-R60 PolarHBondContact N-O 3.29Å; T53-R60 HydrophobicContact CG2-CB 4.22Å; I55-R60 HydrophobicContact CD1-CB 4.34Å; I55-R60 HydrophobicContact CD1-CG 3.68Å
61V96.1Very high90.6Very high0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-103.8110.5178.7-177.60000109.1F11 F13 T53 L54 I56 K59 L63 A179F11-V61 HydrophobicContact CB-CG1 4.27Å; F11-V61 HydrophobicContact CB-CG2 4.29Å; F11-V61 HydrophobicContact CD2-CG2 4.08Å; F13-V61 HydrophobicContact CD2-CG1 3.62Å; F13-V61 HydrophobicContact CE2-CG1 3.82Å; T53-V61 CarbonylContact C-O 3.5Å; T53-V61 WeakPolarHBondContact CA-O 3.42Å; L54-V61 PolarHBondContact N-O 2.79Å; L54-V61 PolarHBondContact O-N 3.26Å; I56-V61 HydrophobicContact CB-CG2 4.21Å; I56-V61 HydrophobicContact CD1-CB 4.42Å; I56-V61 HydrophobicContact CD1-CG2 4.24Å; I56-V61 HydrophobicContact CG1-CG2 4.34Å; K59-V61 PolarHBondContact O-N 2.76Å; V61-L63 HydrophobicContact CG1-CD2 3.97Å; V61-A179 HydrophobicContact CG1-CB 4.24Å
62K96.2Very high88.8Confident24 Ų2440.1 Ų40.110%0.10421%0.211CC..EExtended strand (participates in β ladder)trans-90121.3177.7-162.6170.9-153.11760109.4D7 F9 F11 L12 F13 M51D7-K62 IonicContact OD1-NZ 3.36Å; D7-K62 PolarHBondContact OD1-NZ 2.94Å; F9-K62 HydrophobicContact CB-CB 3.88Å; F9-K62 HydrophobicContact CD1-CB 4.17Å; F9-K62 HydrophobicContact CD1-CD 3.59Å; F9-K62 HydrophobicContact CE1-CD 4.01Å; F9-K62 HydrophobicContact CG-CB 3.97Å; F9-K62 HydrophobicContact CG-CD 4.27Å; F11-K62 PolarHBondContact O-N 3.08Å; L12-K62 WeakPolarHBondContact CA-O 3.42Å; L12-K62 HydrophobicContact CD1-CB 3.92Å; L12-K62 HydrophobicContact CD1-CD 4.29Å; L12-K62 HydrophobicContact CD1-CG 4.07Å; F13-K62 PolarHBondContact N-O 3.32Å; M51-K62 HydrophobicContact CE-CD 3.49Å; M51-K62 VanDerWaalsContact CE-CD 3.49Å; M51-K62 HydrophobicContact CE-CG 3.77Å
63L96.9Very high87.1Confident1 Ų146.2 Ų46.21%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-99.4130.3176.1-57-177000110F13 I15 F32 M51 K52 L54 V61 I65 F175 A179F13-L63 HydrophobicContact CB-CD2 4.02Å; F13-L63 HydrophobicContact CD2-CD2 4.3Å; F13-L63 WeakPolarHBondContact O-CA 3.41Å; I15-L63 HydrophobicContact CG1-CD2 4.34Å; F32-L63 HydrophobicContact CE1-CD1 4.34Å; F32-L63 HydrophobicContact CZ-CD1 4.27Å; M51-L63 VanDerWaalsContact CA-O 3.29Å; M51-L63 WeakPolarHBondContact CA-O 3.41Å; K52-L63 PolarHBondContact N-O 2.89Å; K52-L63 VanDerWaalsContact N-O 3.09Å; K52-L63 PolarHBondContact O-N 2.94Å; L54-L63 HydrophobicContact CD1-CD1 3.81Å; L54-L63 HydrophobicContact CG-CD1 4.37Å; V61-L63 HydrophobicContact CG1-CD2 3.97Å; L63-I65 HydrophobicContact CB-CD1 4.34Å; L63-I65 HydrophobicContact CB-CG1 4.1Å; L63-F175 HydrophobicContact CD1-CB 4.37Å; L63-F175 HydrophobicContact CD1-CD1 4.45Å; L63-A179 HydrophobicContact CD1-CB 4.31Å; L63-A179 HydrophobicContact CD2-CB 4Å
64Q96.2Very high85.5Confident33 Ų3346 Ų4615%0.15423%0.227CC..EExtended strand (participates in β ladder)trans-102103.9166.9-78.3-175-10.200108.2L12 F13 K14 I15 F49 M51L12-Q64 HydrophobicContact CD1-CG 3.91Å; F13-Q64 PolarHBondContact O-N 3.42Å; K14-Q64 CarbonylContact C-O 3.56Å; K14-Q64 WeakPolarHBondContact CA-O 3.39Å; K14-Q64 HydrophobicContact CG-CB 4.15Å; K14-Q64 VanDerWaalsContact CG-OE1 3.31Å; I15-Q64 PolarHBondContact N-O 3.28Å; F49-Q64 HydrophobicContact CE2-CB 3.85Å; F49-Q64 HydrophobicContact CE2-CG 3.91Å; F49-Q64 HydrophobicContact CZ-CB 4.33Å; F49-Q64 HydrophobicContact CZ-CG 3.89Å; M51-Q64 HydrophobicContact CE-CG 3.81Å; M51-Q64 HydrophobicContact CG-CG 4.37Å
65I95.5Very high84Confident0 Ų047.2 Ų47.20%023%0.231CC..EExtended strand (participates in β ladder)trans-102.3119.8-172.7-58.9171.3000108.9I15 L17 V29 F32 T50 L63 F175I15-I65 HydrophobicContact CB-CG1 4.49Å; I15-I65 WeakPolarHBondContact O-CA 3.32Å; L17-I65 HydrophobicContact CD1-CG2 3.34Å; V29-I65 HydrophobicContact CG1-CG2 4.1Å; V29-I65 HydrophobicContact CG2-CG2 3.83Å; F32-I65 HydrophobicContact CD1-CD1 3.7Å; F32-I65 HydrophobicContact CE1-CD1 3.6Å; T50-I65 PolarHBondContact N-O 2.97Å; T50-I65 WeakPolarHBondContact O-CB 3.28Å; T50-I65 PolarHBondContact O-N 3.2Å; L63-I65 HydrophobicContact CB-CD1 4.34Å; L63-I65 HydrophobicContact CB-CG1 4.1Å; I65-F175 HydrophobicContact CD1-CD1 3.92Å; I65-F175 HydrophobicContact CD1-CE1 3.65Å; I65-F175 HydrophobicContact CD1-CZ 4.4Å; I65-F175 HydrophobicContact CG1-CE1 4.25Å; I65-F175 HydrophobicContact CG2-CE1 4.33Å
66W93.4Very high82.6Confident56 Ų5646.9 Ų46.921%0.21223%0.234CC..EExtended strand (participates in β ladder)trans-105.9102.8178-59.889.8000109I15 V16 L17 V47 F49 Y81I15-W66 PolarHBondContact O-N 3.32Å; V16-W66 HydrophobicContact CG1-CB 4.48Å; V16-W66 HydrophobicContact CG2-CB 4.25Å; L17-W66 PolarHBondContact N-O 3.38Å; V47-W66 HydrophobicContact CG1-CB 4.03Å; V47-W66 HydrophobicContact CG1-CE3 3.83Å; F49-W66 HydrophobicContact CB-CE3 4.3Å; F49-W66 HydrophobicContact CB-CZ3 4.2Å; F49-W66 AromaticContact CD2-CD2 3.79Å; F49-W66 HydrophobicContact CD2-CD2 3.79Å; F49-W66 AromaticContact CD2-CE2 3.67Å; F49-W66 AromaticContact CD2-CE3 3.84Å; F49-W66 HydrophobicContact CD2-CE3 3.84Å; F49-W66 AromaticContact CD2-CH2 3.78Å; F49-W66 HydrophobicContact CD2-CH2 3.78Å; F49-W66 AromaticContact CD2-CZ2 3.69Å; F49-W66 HydrophobicContact CD2-CZ2 3.69Å; F49-W66 AromaticContact CD2-CZ3 3.83Å; F49-W66 HydrophobicContact CD2-CZ3 3.83Å; F49-W66 HydrophobicContact CE2-CD2 4.38Å; F49-W66 AromaticContact CE2-CE2 3.81Å; F49-W66 HydrophobicContact CE2-CH2 4.15Å; F49-W66 AromaticContact CE2-CZ2 3.7Å; F49-W66 HydrophobicContact CE2-CZ2 3.7Å; F49-W66 HydrophobicContact CG-CH2 4.44Å; F49-W66 HydrophobicContact CG-CZ3 4.3Å; W66-Y81 AromaticContact CD2-CD1 3.67Å; W66-Y81 HydrophobicContact CD2-CD1 3.67Å; W66-Y81 AromaticContact CD2-CE1 3.7Å; W66-Y81 HydrophobicContact CD2-CE1 3.7Å; W66-Y81 AromaticContact CE3-CD1 3.66Å; W66-Y81 HydrophobicContact CE3-CD1 3.66Å; W66-Y81 AromaticContact CE3-CE1 3.19Å; W66-Y81 HydrophobicContact CE3-CE1 3.19Å; W66-Y81 AromaticContact CE3-CZ 3.93Å; W66-Y81 HydrophobicContact CG-CD1 4.1Å; W66-Y81 HydrophobicContact CH2-CD1 4.49Å; W66-Y81 AromaticContact CH2-CE1 3.8Å; W66-Y81 HydrophobicContact CH2-CE1 3.8Å; W66-Y81 HydrophobicContact CZ2-CE1 4.25Å; W66-Y81 HydrophobicContact CZ3-CD1 4.1Å; W66-Y81 AromaticContact CZ3-CE1 3.26Å; W66-Y81 HydrophobicContact CZ3-CE1 3.26Å; W66-Y81 AromaticContact CZ3-CZ 3.95Å
67D91.3Very high81.3Confident1 Ų150.3 Ų50.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-88.6115.6177.317932.1000110.2K25 T26 V29 V47 D48K25-D67 VanDerWaalsContact CB-OD1 3.25Å; K25-D67 WeakPolarHBondContact CB-OD1 3.2Å; T26-D67 WeakPolarHBondContact CA-OD2 3.47Å; T26-D67 WeakPolarHBondContact CB-OD2 3.43Å; T26-D67 WeakPolarHBondContact CG2-OD2 3.17Å; T26-D67 PolarHBondContact OG1-OD2 3.4Å; V29-D67 HydrophobicContact CG2-CB 4.25Å; V47-D67 CarbonylContact C-O 3.59Å; V47-D67 VanDerWaalsContact CA-O 3.25Å; V47-D67 WeakPolarHBondContact CA-O 3.41Å; V47-D67 WeakPolarHBondContact CG1-O 3.37Å; D48-D67 HydrophobicContact CB-CB 4.34Å; D48-D67 PolarHBondContact N-O 3.45Å; D48-D67 PolarHBondContact O-N 3.47Å
68T86.1Confident80.3Confident0 Ų045.5 Ų45.50%023%0.226CC..EExtended strand (participates in β ladder)trans-96142.1-173.267.10000111.8V16 L17 I18 K25 V47 G70 T78V16-T68 HydrophobicContact CG1-CG2 3.86Å; L17-T68 WeakPolarHBondContact O-CB 3.5Å; L17-T68 WeakPolarHBondContact O-CG2 3.24Å; L17-T68 PolarHBondContact O-N 3.04Å; L17-T68 PolarHBondContact O-OG1 3.25Å; I18-T68 HydrophobicContact CG2-CG2 4.48Å; K25-T68 WeakPolarHBondContact CE-O 3.19Å; V47-T68 HydrophobicContact CG1-CG2 4.36Å; V47-T68 HydrophobicContact CG2-CG2 4.12Å; T68-G70 PolarHBondContact O-N 3.03Å; T68-T78 HydrophobicContact CG2-CG2 4.08Å
69G78.4Confident79.8Confident1 Ų145.3 Ų45.31%0.0121%0.208CC..  trans-62.2125.4164.800000109.9T44 G46 Q71T44-G69 WeakPolarHBondContact O-CA 3.5Å; G46-G69 PolarHBondContact O-N 3.42Å; G69-Q71 PolarHBondContact O-N 2.75Å
70G66.7Low79.2Confident12 Ų1244.9 Ų44.912%0.12422%0.216CC..  trans-75.514.3179.500000114.7G19 M21 T68G19-G70 WeakPolarHBondContact O-CA 3.36Å; M21-G70 PolarHBondContact N-O 2.66Å; T68-G70 PolarHBondContact O-N 3.03Å
71Q63.6Low78.7Confident33 Ų3344.5 Ų44.515%0.15422%0.215CC..  trans-86.5135.8177.5-72.3-170.413.400110.8M21 T43 G69 R73 F74M21-Q71 HydrophobicContact SD-CG 3.78Å; T43-Q71 HydrophobicContact CG2-CG 4.43Å; G69-Q71 PolarHBondContact O-N 2.75Å; Q71-R73 PolarHBondContact O-N 2.86Å; Q71-R73 VanDerWaalsContact O-N 3.12Å; Q71-F74 HydrophobicContact CB-CD2 4.04Å; Q71-F74 HydrophobicContact CB-CE2 4.41Å; Q71-F74 PolarHBondContact O-N 2.77Å
72E56.3Low78.4Confident114 Ų11444.6 Ų44.653%0.53322%0.215SC..G310 helixtrans-52.8-33.4175.568.2-63.5148.500113.1F74 R75E72-F74 PolarHBondContact O-N 3.35Å; E72-F74 VanDerWaalsContact O-N 3.09Å; E72-R75 WeakPolarHBondContact O-CB 3.13Å; E72-R75 WeakPolarHBondContact O-CG 3.21Å; E72-R75 PolarHBondContact O-N 3.39Å
73R58Low78Confident185 Ų18553.2 Ų53.270%0.69825%0.247SC*.G310 helixtrans-60-19.9178.5-66.3-172.6-66.3174.4-0.2113.9Q71Q71-R73 PolarHBondContact O-N 2.86Å; Q71-R73 VanDerWaalsContact O-N 3.12Å
74F61.7Low77.5Confident45 Ų4555.3 Ų55.320%0.19726%0.262CS..G310 helixtrans-106.211.2179.1-57.7-62.3000113.7I45 Q71 E72 T76 I77 T78I45-F74 HydrophobicContact CG2-CZ 3.95Å; Q71-F74 HydrophobicContact CB-CD2 4.04Å; Q71-F74 HydrophobicContact CB-CE2 4.41Å; Q71-F74 PolarHBondContact O-N 2.77Å; E72-F74 PolarHBondContact O-N 3.35Å; E72-F74 VanDerWaalsContact O-N 3.09Å; F74-T76 VanDerWaalsContact C-N 3.32Å; F74-T76 PolarHBondContact O-N 2.68Å; F74-I77 HydrophobicContact CD1-CD1 3.83Å; F74-I77 WeakPolarHBondContact O-CB 3.44Å; F74-I77 PolarHBondContact O-N 2.98Å; F74-T78 PolarHBondContact O-N 3.44Å; F74-T78 VanDerWaalsContact O-N 3.16Å; F74-T78 PolarHBondContact O-OG1 2.92Å
75R64.6Low77.4Confident39 Ų3953.9 Ų53.915%0.14726%0.256CS..Hα-helixtrans-55.1-42.8-179.7-87176.6166.7-104.1-18.6113.4E72 I77 T78 Q79 R105 D109E72-R75 WeakPolarHBondContact O-CB 3.13Å; E72-R75 WeakPolarHBondContact O-CG 3.21Å; E72-R75 PolarHBondContact O-N 3.39Å; R75-I77 VanDerWaalsContact C-N 3.28Å; R75-I77 PolarHBondContact O-N 3.33Å; R75-T78 WeakPolarHBondContact O-CB 3.38Å; R75-T78 PolarHBondContact O-N 3.44Å; R75-T78 VanDerWaalsContact O-N 3.09Å; R75-Q79 WeakPolarHBondContact O-CG 3.17Å; R75-Q79 PolarHBondContact O-N 3.49Å; R75-R105 VanDerWaalsContact NE-NH2 3.15Å; R75-D109 IonicContact CZ-OD2 3.76Å; R75-D109 VanDerWaalsContact CZ-OD2 3.31Å; R75-D109 IonicContact NH1-OD1 2.74Å; R75-D109 IonicContact NH1-OD2 2.91Å; R75-D109 PolarHBondContact NH1-OD2 2.61Å; R75-D109 IonicContact NH2-OD2 2.89Å
76T63.5Low77.4Confident109 Ų10955 Ų5567%0.66926%0.262SS*.Hα-helixtrans-62.9-35.3178.6-45.90000112.4F74 T78 Q79F74-T76 VanDerWaalsContact C-N 3.32Å; F74-T76 PolarHBondContact O-N 2.68Å; T76-T78 VanDerWaalsContact C-N 3.29Å; T76-T78 PolarHBondContact O-N 3.4Å; T76-Q79 PolarHBondContact O-N 3.39Å
77I67.7Low77.6Confident76 Ų7652.4 Ų52.439%0.3925%0.252SS..Hα-helixtrans-66.4-37.3176.6-63.5-179000110V47 F74 R75 Q79 S80 Y81V47-I77 HydrophobicContact CG2-CG2 3.99Å; F74-I77 HydrophobicContact CD1-CD1 3.83Å; F74-I77 WeakPolarHBondContact O-CB 3.44Å; F74-I77 PolarHBondContact O-N 2.98Å; R75-I77 VanDerWaalsContact C-N 3.28Å; R75-I77 PolarHBondContact O-N 3.33Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 2.9Å; I77-S80 PolarHBondContact O-OG 3.48Å; I77-Y81 HydrophobicContact CG2-CD2 4.42Å; I77-Y81 HydrophobicContact CG2-CE2 3.68Å; I77-Y81 WeakPolarHBondContact O-CD2 3.44Å; I77-Y81 WeakPolarHBondContact O-CE2 3.29Å
78T73.9Confident77.8Confident4 Ų452.3 Ų52.33%0.02525%0.252CS..Hα-helixtrans-66-33.4-179.2-500000112.3I18 T68 F74 R75 T76 S80 Y81 Y82I18-T78 HydrophobicContact CG2-CG2 4.05Å; T68-T78 HydrophobicContact CG2-CG2 4.08Å; F74-T78 PolarHBondContact O-N 3.44Å; F74-T78 VanDerWaalsContact O-N 3.16Å; F74-T78 PolarHBondContact O-OG1 2.92Å; R75-T78 WeakPolarHBondContact O-CB 3.38Å; R75-T78 PolarHBondContact O-N 3.44Å; R75-T78 VanDerWaalsContact O-N 3.09Å; T76-T78 VanDerWaalsContact C-N 3.29Å; T76-T78 PolarHBondContact O-N 3.4Å; T78-S80 VanDerWaalsContact C-N 3.33Å; T78-S80 PolarHBondContact O-N 2.89Å; T78-Y81 PolarHBondContact O-N 2.82Å; T78-Y81 VanDerWaalsContact O-N 3.13Å; T78-Y82 HydrophobicContact CG2-CD1 4.49Å; T78-Y82 HydrophobicContact CG2-CE1 3.71Å; T78-Y82 HydrophobicContact CG2-CE2 3.97Å; T78-Y82 VanDerWaalsContact CG2-CZ 3.43Å; T78-Y82 WeakPolarHBondContact CG2-OH 3.27Å; T78-Y82 PolarHBondContact O-N 2.92Å
79Q80.7Confident78.3Confident64 Ų6452.3 Ų52.330%0.29925%0.252SS..Hα-helixtrans-60.1-37.7-177.7-66.9172.50.500113.6R75 T76 I77 Y81 Y82 F113R75-Q79 WeakPolarHBondContact O-CG 3.17Å; R75-Q79 PolarHBondContact O-N 3.49Å; T76-Q79 PolarHBondContact O-N 3.39Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 2.9Å; Q79-Y81 VanDerWaalsContact C-N 3.3Å; Q79-Y81 PolarHBondContact O-N 3.37Å; Q79-Y82 PolarHBondContact O-N 2.73Å; Q79-F113 HydrophobicContact CB-CD1 4.41Å; Q79-F113 HydrophobicContact CB-CD2 4.35Å; Q79-F113 HydrophobicContact CB-CG 4.31Å; Q79-F113 VanDerWaalsContact CD-CZ 3.41Å; Q79-F113 HydrophobicContact CG-CD1 4.39Å; Q79-F113 HydrophobicContact CG-CD2 3.74Å; Q79-F113 HydrophobicContact CG-CE1 4.23Å; Q79-F113 HydrophobicContact CG-CE2 3.59Å; Q79-F113 HydrophobicContact CG-CG 4.17Å; Q79-F113 HydrophobicContact CG-CZ 3.83Å
80S81.2Confident79.1Confident79 Ų7952.3 Ų52.355%0.55225%0.251SS*.Hα-helixtrans-69.3-29.5179.461.90000112.5I77 T78I77-S80 PolarHBondContact O-OG 3.48Å; T78-S80 VanDerWaalsContact C-N 3.33Å; T78-S80 PolarHBondContact O-N 2.89Å
81Y85.5Confident80.5Confident58 Ų5851.8 Ų51.823%0.22725%0.246CC..Hα-helixtrans-72.3-33.7177.4-66.4-72.4000112.3V47 W66 I77 T78 Q79 R83 S84 A85V47-Y81 HydrophobicContact CB-CE2 4.13Å; V47-Y81 HydrophobicContact CG1-CE2 4.28Å; V47-Y81 HydrophobicContact CG2-CD2 4.08Å; V47-Y81 HydrophobicContact CG2-CE2 3.56Å; W66-Y81 AromaticContact CD2-CD1 3.67Å; W66-Y81 HydrophobicContact CD2-CD1 3.67Å; W66-Y81 AromaticContact CD2-CE1 3.7Å; W66-Y81 HydrophobicContact CD2-CE1 3.7Å; W66-Y81 AromaticContact CE3-CD1 3.66Å; W66-Y81 HydrophobicContact CE3-CD1 3.66Å; W66-Y81 AromaticContact CE3-CE1 3.19Å; W66-Y81 HydrophobicContact CE3-CE1 3.19Å; W66-Y81 AromaticContact CE3-CZ 3.93Å; W66-Y81 HydrophobicContact CG-CD1 4.1Å; W66-Y81 HydrophobicContact CH2-CD1 4.49Å; W66-Y81 AromaticContact CH2-CE1 3.8Å; W66-Y81 HydrophobicContact CH2-CE1 3.8Å; W66-Y81 HydrophobicContact CZ2-CE1 4.25Å; W66-Y81 HydrophobicContact CZ3-CD1 4.1Å; W66-Y81 AromaticContact CZ3-CE1 3.26Å; W66-Y81 HydrophobicContact CZ3-CE1 3.26Å; W66-Y81 AromaticContact CZ3-CZ 3.95Å; I77-Y81 HydrophobicContact CG2-CD2 4.42Å; I77-Y81 HydrophobicContact CG2-CE2 3.68Å; I77-Y81 WeakPolarHBondContact O-CD2 3.44Å; I77-Y81 WeakPolarHBondContact O-CE2 3.29Å; T78-Y81 PolarHBondContact O-N 2.82Å; T78-Y81 VanDerWaalsContact O-N 3.13Å; Q79-Y81 VanDerWaalsContact C-N 3.3Å; Q79-Y81 PolarHBondContact O-N 3.37Å; Y81-R83 VanDerWaalsContact C-N 3.33Å; Y81-R83 PolarHBondContact O-N 2.81Å; Y81-S84 PolarHBondContact O-N 2.85Å; Y81-A85 PolarHBondContact O-N 2.93Å
82Y88.7Confident82Confident2 Ų250.2 Ų50.21%0.00824%0.238CC..Hα-helixtrans-59-41.7177.5-64-33.9000113.1V16 I18 T78 Q79 S84 A85 I88 D109 V110 F113V16-Y82 HydrophobicContact CG1-CD1 4.46Å; V16-Y82 HydrophobicContact CG1-CE1 4.34Å; I18-Y82 HydrophobicContact CD1-CE1 4.11Å; I18-Y82 HydrophobicContact CG2-CE1 3.65Å; T78-Y82 HydrophobicContact CG2-CD1 4.49Å; T78-Y82 HydrophobicContact CG2-CE1 3.71Å; T78-Y82 HydrophobicContact CG2-CE2 3.97Å; T78-Y82 VanDerWaalsContact CG2-CZ 3.43Å; T78-Y82 WeakPolarHBondContact CG2-OH 3.27Å; T78-Y82 PolarHBondContact O-N 2.92Å; Q79-Y82 PolarHBondContact O-N 2.73Å; Y82-S84 PolarHBondContact O-N 2.94Å; Y82-S84 VanDerWaalsContact O-N 3.08Å; Y82-A85 WeakPolarHBondContact O-CB 3.41Å; Y82-A85 PolarHBondContact O-N 3.43Å; Y82-I88 HydrophobicContact CD1-CD1 3.91Å; Y82-I88 HydrophobicContact CE1-CD1 4.39Å; Y82-D109 HydrophobicContact CE2-CB 4Å; Y82-V110 HydrophobicContact CE1-CG2 4.31Å; Y82-F113 HydrophobicContact CD2-CB 3.69Å; Y82-F113 HydrophobicContact CD2-CD2 4.08Å; Y82-F113 HydrophobicContact CD2-CG 4.3Å; Y82-F113 HydrophobicContact CE2-CD2 4.38Å; Y82-F113 HydrophobicContact CG-CB 4.29Å
83R87.1Confident83.7Confident205 Ų20545.5 Ų45.577%0.77422%0.217SC*.THydrogen-bonded Turntrans-57.1-31.6-173.8-174.9174.5-178.9156.62.6113.8Y81Y81-R83 VanDerWaalsContact C-N 3.33Å; Y81-R83 PolarHBondContact O-N 2.81Å
84S88.1Confident85.3Confident45 Ų4536.8 Ų36.832%0.31518%0.184SC..THydrogen-bonded Turntrans-109.65.6-179.671.70000113.7K14 Y81 Y82 N86K14-S84 WeakPolarHBondContact CD-O 3.2Å; K14-S84 WeakPolarHBondContact CD-OG 3.41Å; K14-S84 PolarHBondContact NZ-OG 2.8Å; Y81-S84 PolarHBondContact O-N 2.85Å; Y82-S84 PolarHBondContact O-N 2.94Å; Y82-S84 VanDerWaalsContact O-N 3.08Å; S84-N86 PolarHBondContact O-N 3.04Å
85A93.9Very high86.7Confident4 Ų436.1 Ų36.13%0.03318%0.184CC..  trans-69130179.100000109.9V16 Y81 Y82 I88 V118V16-A85 HydrophobicContact CG2-CB 3.75Å; Y81-A85 PolarHBondContact O-N 2.93Å; Y82-A85 WeakPolarHBondContact O-CB 3.41Å; Y82-A85 PolarHBondContact O-N 3.43Å; A85-I88 HydrophobicContact CB-CD1 4.26Å; A85-I88 HydrophobicContact CB-CG1 3.93Å; A85-V118 HydrophobicContact CB-CG2 4.37Å
86N95.2Very high88Confident24 Ų2436.1 Ų36.113%0.12819%0.19CC..SBendtrans-85-37168-51.8114.6000109.9F13 K14 S84 V118 V119 L182 L192F13-N86 WeakPolarHBondContact CA-OD1 3.29Å; F13-N86 HydrophobicContact CB-CB 4.32Å; F13-N86 HydrophobicContact CD1-CB 4.07Å; K14-N86 PolarHBondContact N-OD1 3.4Å; K14-N86 PolarHBondContact O-N 3.07Å; S84-N86 PolarHBondContact O-N 3.04Å; N86-V118 WeakPolarHBondContact O-CG2 3.46Å; N86-V119 PolarHBondContact O-N 2.86Å; N86-L182 HydrophobicContact CB-CD1 4.46Å; N86-L182 HydrophobicContact CB-CD2 3.89Å; N86-L182 VanDerWaalsContact O-CD2 3.24Å; N86-L182 WeakPolarHBondContact O-CD2 3.1Å; N86-L192 HydrophobicContact CB-CD1 4.25Å; N86-L192 HydrophobicContact CB-CD2 4.48Å
87G96.4Very high89.3Confident0 Ų036.2 Ų36.20%018%0.182CC..EExtended strand (participates in β ladder)trans-132.5151.2174.800000112.9K14 I15 V16 V119K14-G87 PolarHBondContact O-N 2.84Å; K14-G87 VanDerWaalsContact O-N 3.1Å; I15-G87 VanDerWaalsContact CA-O 3.29Å; I15-G87 WeakPolarHBondContact CA-O 3.42Å; V16-G87 PolarHBondContact N-O 3.16Å; G87-V119 CarbonylContact C-O 3.59Å; G87-V119 WeakPolarHBondContact CA-O 3.17Å
88I95.8Very high90.5Very high0 Ų038.2 Ų38.20%019%0.19CC..EExtended strand (participates in β ladder)trans-129.2129.7176.7-62.8178000108.9V16 I18 Y82 A85 I90 V110 A114 V118 V119 K120 L121V16-I88 WeakPolarHBondContact O-CA 3.31Å; I18-I88 HydrophobicContact CD1-CG2 3.75Å; I18-I88 HydrophobicContact CG1-CG2 3.97Å; Y82-I88 HydrophobicContact CD1-CD1 3.91Å; Y82-I88 HydrophobicContact CE1-CD1 4.39Å; A85-I88 HydrophobicContact CB-CD1 4.26Å; A85-I88 HydrophobicContact CB-CG1 3.93Å; I88-I90 HydrophobicContact CG2-CD1 4.11Å; I88-I90 HydrophobicContact CG2-CG1 4.19Å; I88-V110 HydrophobicContact CD1-CB 4.26Å; I88-V110 HydrophobicContact CD1-CG1 3.66Å; I88-V110 HydrophobicContact CD1-CG2 3.73Å; I88-V110 HydrophobicContact CG2-CG2 3.94Å; I88-A114 HydrophobicContact CD1-CB 3.87Å; I88-V118 HydrophobicContact CB-CG2 4.49Å; I88-V118 HydrophobicContact CD1-CG1 4.45Å; I88-V118 HydrophobicContact CD1-CG2 3.84Å; I88-V118 HydrophobicContact CG1-CG2 3.72Å; I88-V119 PolarHBondContact N-O 3.16Å; I88-K120 CarbonylContact O-C 3.58Å; I88-K120 WeakPolarHBondContact O-CA 3.45Å; I88-L121 PolarHBondContact O-N 3.42Å
89I96.8Very high91.5Very high0 Ų038.2 Ų38.20%019%0.191CC..EExtended strand (participates in β ladder)trans-106.6118.7174.4-62.8177.5000107.6I15 V16 L17 I18 L121 I123 F175 L178I15-I89 HydrophobicContact CG2-CD1 3.74Å; I15-I89 HydrophobicContact CG2-CG1 3.87Å; V16-I89 PolarHBondContact O-N 3.44Å; L17-I89 WeakPolarHBondContact CA-O 3.3Å; L17-I89 HydrophobicContact CD1-CD1 4.34Å; L17-I89 HydrophobicContact CG-CB 4.06Å; L17-I89 HydrophobicContact CG-CD1 4.4Å; L17-I89 HydrophobicContact CG-CG2 4.31Å; I18-I89 PolarHBondContact N-O 3.09Å; I89-L121 CarbonylContact C-O 3.53Å; I89-L121 WeakPolarHBondContact CA-O 3.34Å; I89-L121 HydrophobicContact CG1-CB 4.36Å; I89-L121 HydrophobicContact CG1-CD2 4.32Å; I89-I123 HydrophobicContact CG2-CB 4.32Å; I89-I123 HydrophobicContact CG2-CD1 3.36Å; I89-I123 HydrophobicContact CG2-CG1 3.74Å; I89-F175 HydrophobicContact CD1-CD1 4.06Å; I89-F175 HydrophobicContact CD1-CE1 3.7Å; I89-F175 HydrophobicContact CD1-CZ 4.18Å; I89-L178 HydrophobicContact CD1-CD2 3.79Å; I89-L178 HydrophobicContact CG1-CD2 3.52Å
90I95.6Very high92.1Very high0 Ų036.6 Ų36.60%018%0.182CC..EExtended strand (participates in β ladder)trans-99.6118.4174.7-49.691.5000107.9I18 I88 V103 W106 L107 K120 L121 L122 I123 M158I18-I90 HydrophobicContact CD1-CG1 3.89Å; I18-I90 HydrophobicContact CG1-CB 4.27Å; I18-I90 HydrophobicContact CG1-CG1 3.85Å; I18-I90 HydrophobicContact CG1-CG2 4.25Å; I88-I90 HydrophobicContact CG2-CD1 4.11Å; I88-I90 HydrophobicContact CG2-CG1 4.19Å; I90-V103 HydrophobicContact CG2-CB 4.48Å; I90-V103 HydrophobicContact CG2-CG1 3.97Å; I90-V103 HydrophobicContact CG2-CG2 4.3Å; I90-W106 HydrophobicContact CG2-CB 4.1Å; I90-L107 HydrophobicContact CD1-CD2 4.13Å; I90-L107 HydrophobicContact CG1-CD2 4.48Å; I90-K120 HydrophobicContact CD1-CB 4.3Å; I90-L121 PolarHBondContact N-O 3.1Å; I90-L122 HydrophobicContact CB-CD1 4.2Å; I90-L122 HydrophobicContact CG2-CD1 4.4Å; I90-I123 PolarHBondContact O-N 3.1Å; I90-M158 HydrophobicContact CD1-SD 4.25Å
91C95.2Very high92.8Very high1 Ų137.3 Ų37.31%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-105.2136-178.8-61.40000110.9I18 G19 V23 K25 I123I18-C91 PolarHBondContact O-N 3.37Å; G19-C91 WeakPolarHBondContact CA-O 3.33Å; V23-C91 HydrophobicContact CG2-CB 3.75Å; K25-C91 HydrophobicContact CD-CB 4.45Å; K25-C91 HydrophobicContact CG-CB 3.81Å; C91-I123 WeakPolarHBondContact CA-O 3.42Å
92Y94.9Very high93.1Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-128.8161.4164.974.3-83.8000109.9V94 F100 V103 L122 I123 G124 N125 I144 L160Y92-V94 HydrophobicContact CE2-CG1 4.01Å; Y92-F100 HydrophobicContact CD1-CD2 4.04Å; Y92-F100 HydrophobicContact CD2-CB 3.89Å; Y92-F100 AromaticContact CD2-CD2 3.7Å; Y92-F100 HydrophobicContact CD2-CD2 3.7Å; Y92-F100 HydrophobicContact CD2-CG 4.24Å; Y92-F100 AromaticContact CE1-CD2 3.99Å; Y92-F100 HydrophobicContact CE1-CD2 3.99Å; Y92-F100 HydrophobicContact CE1-CE2 4.24Å; Y92-F100 HydrophobicContact CE2-CB 4.41Å; Y92-F100 AromaticContact CE2-CD2 3.66Å; Y92-F100 HydrophobicContact CE2-CD2 3.66Å; Y92-F100 HydrophobicContact CE2-CE2 4.35Å; Y92-F100 HydrophobicContact CE2-CG 4.37Å; Y92-F100 HydrophobicContact CG-CB 4.36Å; Y92-F100 AromaticContact CG-CD2 3.9Å; Y92-F100 HydrophobicContact CG-CD2 3.9Å; Y92-F100 AromaticContact CZ-CD2 3.8Å; Y92-V103 HydrophobicContact CD1-CG2 4.3Å; Y92-V103 HydrophobicContact CG-CG2 4.36Å; Y92-L122 HydrophobicContact CD1-CD1 3.81Å; Y92-L122 HydrophobicContact CD1-CG 4.18Å; Y92-L122 HydrophobicContact CE1-CD1 4.08Å; Y92-L122 HydrophobicContact CE1-CD2 4.11Å; Y92-L122 HydrophobicContact CE1-CG 3.92Å; Y92-I123 VanDerWaalsContact CD1-O 3.27Å; Y92-I123 WeakPolarHBondContact CD1-O 3.41Å; Y92-I123 PolarHBondContact N-O 3.38Å; Y92-G124 VanDerWaalsContact CZ-CA 3.43Å; Y92-N125 PolarHBondContact O-N 3.06Å; Y92-I144 HydrophobicContact CE2-CB 4.17Å; Y92-I144 HydrophobicContact CE2-CG1 4.45Å; Y92-I144 HydrophobicContact CE2-CG2 3.96Å; Y92-L160 HydrophobicContact CE1-CD1 4.15Å
93D93.1Very high93.4Very high16 Ų1635 Ų359%0.08617%0.171CC..EExtended strand (participates in β ladder)trans-93.5127172.3-163.9-29.8000109.4V23 T95 S96 S99 N125 N127V23-D93 HydrophobicContact CB-CB 4.44Å; V23-D93 HydrophobicContact CG1-CB 4.44Å; D93-T95 PolarHBondContact O-N 3.28Å; D93-T95 VanDerWaalsContact O-N 3.14Å; D93-T95 PolarHBondContact OD1-N 3.35Å; D93-T95 PolarHBondContact OD1-OG1 3.05Å; D93-S96 PolarHBondContact O-N 3.3Å; D93-S99 PolarHBondContact N-OG 3.42Å; D93-S99 PolarHBondContact O-OG 2.91Å; D93-N125 WeakPolarHBondContact CA-O 3.38Å; D93-N125 VanDerWaalsContact OD1-O 3.11Å; D93-N127 PolarHBondContact OD2-ND2 3.36Å
94V92.4Very high93.7Very high1 Ų132.9 Ų32.91%0.00616%0.164CC..THydrogen-bonded Turntrans-65-16.2179.4-56.10000112.9Y92 N125 A126 E143 I144Y92-V94 HydrophobicContact CE2-CG1 4.01Å; V94-N125 PolarHBondContact N-O 3.23Å; V94-N125 VanDerWaalsContact N-O 3.14Å; V94-A126 HydrophobicContact CG2-CB 3.73Å; V94-E143 PolarHBondContact O-N 3.36Å; V94-I144 PolarHBondContact O-N 3.09Å; V94-I144 VanDerWaalsContact O-N 3.12Å
95T90.3Very high93.9Very high31 Ų3136.3 Ų36.319%0.1917%0.17CC..THydrogen-bonded Turntrans-97.111.7174.877.80000112.7D93 L129 E141D93-T95 PolarHBondContact O-N 3.28Å; D93-T95 VanDerWaalsContact O-N 3.14Å; D93-T95 PolarHBondContact OD1-N 3.35Å; D93-T95 PolarHBondContact OD1-OG1 3.05Å; T95-L129 HydrophobicContact CG2-CD1 3.7Å; T95-L129 HydrophobicContact CG2-CG 3.93Å; T95-E141 WeakPolarHBondContact CA-O 3.5Å; T95-E141 WeakPolarHBondContact CB-O 3.2Å; T95-E141 HydrophobicContact CG2-CB 4.49Å; T95-E141 WeakPolarHBondContact CG2-O 3.34Å
96S90.8Very high93.8Very high39 Ų3936.5 Ų36.527%0.27317%0.169SC..  trans-137.5101.5178.2-178.10000111.6D93 Q98 S99 F100 E143D93-S96 PolarHBondContact O-N 3.3Å; S96-Q98 PolarHBondContact O-N 3.28Å; S96-S99 PolarHBondContact O-N 2.9Å; S96-S99 VanDerWaalsContact O-N 3.08Å; S96-S99 PolarHBondContact O-OG 2.9Å; S96-S99 PolarHBondContact OG-N 2.63Å; S96-F100 PolarHBondContact O-N 3.31Å; S96-E143 WeakPolarHBondContact CA-OE2 3.33Å
97E92.4Very high93.7Very high111 Ų11135.5 Ų35.552%0.51916%0.164SC..Hα-helixtrans-55.9-41.4174.4-175-177.9-167.300111.3S99 F100 I101 E143 I144E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 PolarHBondContact O-N 3.5Å; E97-F100 WeakPolarHBondContact O-CB 3.46Å; E97-F100 PolarHBondContact O-N 2.8Å; E97-F100 VanDerWaalsContact O-N 3.07Å; E97-I101 HydrophobicContact CG-CD1 3.99Å; E97-I101 HydrophobicContact CG-CG1 4.41Å; E97-I101 WeakPolarHBondContact O-CG1 3.46Å; E97-I101 PolarHBondContact O-N 3.4Å; E97-E143 HydrophobicContact CB-CB 4.33Å; E97-E143 WeakPolarHBondContact CB-OE2 3.18Å; E97-E143 PolarHBondContact N-OE2 3.29Å; E97-I144 HydrophobicContact CB-CD1 3.94Å; E97-I144 HydrophobicContact CG-CD1 3.91Å
98Q93.2Very high93.5Very high119 Ų11941.5 Ų41.556%0.55619%0.192SC*.Hα-helixtrans-57.7-42.3177.1-177.456.861.300112.4S96 F100 I101 S102S96-Q98 PolarHBondContact O-N 3.28Å; Q98-F100 VanDerWaalsContact C-N 3.28Å; Q98-F100 PolarHBondContact O-N 2.87Å; Q98-I101 PolarHBondContact O-N 3.31Å; Q98-S102 PolarHBondContact O-N 2.89Å; Q98-S102 PolarHBondContact O-OG 3.47Å; Q98-S102 VanDerWaalsContact O-OG 3.07Å
99S93.1Very high93.2Very high4 Ų442.7 Ų42.73%0.02820%0.199CC..Hα-helixtrans-66.9-32.1178.979.30000112.3D93 S96 E97D93-S99 PolarHBondContact N-OG 3.42Å; D93-S99 PolarHBondContact O-OG 2.91Å; S96-S99 PolarHBondContact O-N 2.9Å; S96-S99 VanDerWaalsContact O-N 3.08Å; S96-S99 PolarHBondContact O-OG 2.9Å; S96-S99 PolarHBondContact OG-N 2.63Å; E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 PolarHBondContact O-N 3.5Å
100F95.1Very high93Very high29 Ų2942.8 Ų42.813%0.12720%0.199CC..Hα-helixtrans-72.8-42.5175.8-177.3-110.1000111.9Y92 S96 E97 Q98 S102 V103 I144 E148 L152Y92-F100 HydrophobicContact CD1-CD2 4.04Å; Y92-F100 HydrophobicContact CD2-CB 3.89Å; Y92-F100 AromaticContact CD2-CD2 3.7Å; Y92-F100 HydrophobicContact CD2-CD2 3.7Å; Y92-F100 HydrophobicContact CD2-CG 4.24Å; Y92-F100 AromaticContact CE1-CD2 3.99Å; Y92-F100 HydrophobicContact CE1-CD2 3.99Å; Y92-F100 HydrophobicContact CE1-CE2 4.24Å; Y92-F100 HydrophobicContact CE2-CB 4.41Å; Y92-F100 AromaticContact CE2-CD2 3.66Å; Y92-F100 HydrophobicContact CE2-CD2 3.66Å; Y92-F100 HydrophobicContact CE2-CE2 4.35Å; Y92-F100 HydrophobicContact CE2-CG 4.37Å; Y92-F100 HydrophobicContact CG-CB 4.36Å; Y92-F100 AromaticContact CG-CD2 3.9Å; Y92-F100 HydrophobicContact CG-CD2 3.9Å; Y92-F100 AromaticContact CZ-CD2 3.8Å; S96-F100 PolarHBondContact O-N 3.31Å; E97-F100 WeakPolarHBondContact O-CB 3.46Å; E97-F100 PolarHBondContact O-N 2.8Å; E97-F100 VanDerWaalsContact O-N 3.07Å; Q98-F100 VanDerWaalsContact C-N 3.28Å; Q98-F100 PolarHBondContact O-N 2.87Å; F100-S102 VanDerWaalsContact C-N 3.27Å; F100-S102 PolarHBondContact O-N 2.85Å; F100-V103 WeakPolarHBondContact O-CB 3.44Å; F100-V103 VanDerWaalsContact O-CG2 3.29Å; F100-V103 WeakPolarHBondContact O-CG2 3.25Å; F100-V103 PolarHBondContact O-N 3.01Å; F100-V103 VanDerWaalsContact O-N 3.09Å; F100-I144 HydrophobicContact CB-CD1 3.96Å; F100-I144 HydrophobicContact CB-CG1 3.74Å; F100-I144 HydrophobicContact CD1-CD1 3.79Å; F100-I144 HydrophobicContact CD1-CG1 4.2Å; F100-I144 HydrophobicContact CD1-CG2 4.07Å; F100-I144 HydrophobicContact CD2-CG2 3.99Å; F100-I144 HydrophobicContact CE1-CG2 4.18Å; F100-I144 HydrophobicContact CE2-CG2 4.1Å; F100-I144 HydrophobicContact CG-CD1 4.04Å; F100-I144 HydrophobicContact CG-CG1 3.95Å; F100-I144 HydrophobicContact CG-CG2 3.97Å; F100-I144 HydrophobicContact CZ-CG2 4.19Å; F100-E148 HydrophobicContact CE1-CB 4.39Å; F100-E148 HydrophobicContact CZ-CB 4.37Å; F100-L152 HydrophobicContact CD2-CD2 4.26Å; F100-L152 HydrophobicContact CE1-CD2 4.47Å; F100-L152 HydrophobicContact CE2-CB 4.26Å; F100-L152 HydrophobicContact CE2-CD2 3.53Å; F100-L152 HydrophobicContact CZ-CB 3.87Å; F100-L152 HydrophobicContact CZ-CD2 3.67Å; F100-L152 HydrophobicContact CZ-CG 4.41Å
101I94.5Very high92.9Very high94 Ų9448.9 Ų48.948%0.48223%0.228SC..Hα-helixtrans-58.5-42.2173.2-67.9168.3000110.5E97 Q98 V103 R104E97-I101 HydrophobicContact CG-CD1 3.99Å; E97-I101 HydrophobicContact CG-CG1 4.41Å; E97-I101 WeakPolarHBondContact O-CG1 3.46Å; E97-I101 PolarHBondContact O-N 3.4Å; Q98-I101 PolarHBondContact O-N 3.31Å; I101-V103 PolarHBondContact O-N 3.37Å; I101-V103 VanDerWaalsContact O-N 3.16Å; I101-R104 PolarHBondContact O-N 3.48Å
102S93.2Very high92.7Very high11 Ų1156.2 Ų56.28%0.07726%0.26CS..Hα-helixtrans-61.5-20.6178.1-66.10000113.8D20 Q98 F100 R104 R105 W106D20-S102 VanDerWaalsContact OD1-CB 3.27Å; D20-S102 WeakPolarHBondContact OD1-CB 3.11Å; D20-S102 PolarHBondContact OD1-OG 2.89Å; D20-S102 WeakPolarHBondContact OD2-CB 3.18Å; D20-S102 PolarHBondContact OD2-OG 3.14Å; Q98-S102 PolarHBondContact O-N 2.89Å; Q98-S102 PolarHBondContact O-OG 3.47Å; Q98-S102 VanDerWaalsContact O-OG 3.07Å; F100-S102 VanDerWaalsContact C-N 3.27Å; F100-S102 PolarHBondContact O-N 2.85Å; S102-R104 PolarHBondContact O-N 2.96Å; S102-R105 WeakPolarHBondContact O-CB 3.28Å; S102-R105 PolarHBondContact O-N 3.37Å; S102-W106 PolarHBondContact O-N 3.32Å; S102-W106 VanDerWaalsContact O-N 3.1Å
103V93.9Very high92.6Very high0 Ų058.9 Ų58.90%027%0.271CS..Hα-helixtrans-54.1-40.8179172.80000111.5I90 Y92 F100 I101 R105 W106 L107 L122 L152I90-V103 HydrophobicContact CG2-CB 4.48Å; I90-V103 HydrophobicContact CG2-CG1 3.97Å; I90-V103 HydrophobicContact CG2-CG2 4.3Å; Y92-V103 HydrophobicContact CD1-CG2 4.3Å; Y92-V103 HydrophobicContact CG-CG2 4.36Å; F100-V103 WeakPolarHBondContact O-CB 3.44Å; F100-V103 VanDerWaalsContact O-CG2 3.29Å; F100-V103 WeakPolarHBondContact O-CG2 3.25Å; F100-V103 PolarHBondContact O-N 3.01Å; F100-V103 VanDerWaalsContact O-N 3.09Å; I101-V103 PolarHBondContact O-N 3.37Å; I101-V103 VanDerWaalsContact O-N 3.16Å; V103-R105 VanDerWaalsContact C-N 3.34Å; V103-R105 PolarHBondContact O-N 3.33Å; V103-W106 WeakPolarHBondContact O-CB 3.18Å; V103-W106 PolarHBondContact O-N 3.46Å; V103-W106 VanDerWaalsContact O-N 3.1Å; V103-L107 HydrophobicContact CG1-CD1 3.96Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 3.38Å; V103-L122 HydrophobicContact CG1-CD1 3.82Å; V103-L122 HydrophobicContact CG2-CD1 4.18Å; V103-L152 HydrophobicContact CB-CD2 4.01Å; V103-L152 HydrophobicContact CG1-CD2 3.68Å
104R93.3Very high92.5Very high161 Ų16159 Ų5961%0.60827%0.274SS*.Hα-helixtrans-60.9-42.9178.2-68.8-172.1178.1-156.4-0.8112.4I101 S102 W106 L107 E108 L152I101-R104 PolarHBondContact O-N 3.48Å; S102-R104 PolarHBondContact O-N 2.96Å; R104-W106 VanDerWaalsContact C-N 3.28Å; R104-W106 PolarHBondContact O-N 2.9Å; R104-L107 WeakPolarHBondContact O-CB 3.5Å; R104-L107 PolarHBondContact O-N 2.82Å; R104-L107 VanDerWaalsContact O-N 3.15Å; R104-E108 WeakPolarHBondContact O-CG 3.44Å; R104-E108 PolarHBondContact O-N 2.88Å; R104-L152 HydrophobicContact CG-CD1 4.29Å
105R91.8Very high92.4Very high118 Ų11860.4 Ų60.445%0.44529%0.286SS..Hα-helixtrans-62.9-36175.3-176-174.3176.2-162-1.9111.9R75 S102 V103 D109R75-R105 VanDerWaalsContact NE-NH2 3.15Å; S102-R105 WeakPolarHBondContact O-CB 3.28Å; S102-R105 PolarHBondContact O-N 3.37Å; V103-R105 VanDerWaalsContact C-N 3.34Å; V103-R105 PolarHBondContact O-N 3.33Å; R105-D109 PolarHBondContact O-N 2.69Å
106W92.4Very high92.3Very high7 Ų765.7 Ų65.73%0.02732%0.321CS..Hα-helixtrans-68-39.1174.3-70111.3000111.7I18 G19 D20 I90 S102 V103 R104 D109 V110I18-W106 HydrophobicContact CB-CD2 4.41Å; I18-W106 HydrophobicContact CB-CE3 3.94Å; I18-W106 HydrophobicContact CB-CZ3 4.28Å; I18-W106 HydrophobicContact CD1-CB 3.92Å; I18-W106 HydrophobicContact CD1-CE3 4.14Å; I18-W106 HydrophobicContact CG1-CB 4.44Å; I18-W106 HydrophobicContact CG1-CE3 4.39Å; G19-W106 WeakPolarHBondContact O-CZ2 3.34Å; D20-W106 PolarHBondContact OD1-NE1 3.2Å; I90-W106 HydrophobicContact CG2-CB 4.1Å; S102-W106 PolarHBondContact O-N 3.32Å; S102-W106 VanDerWaalsContact O-N 3.1Å; V103-W106 WeakPolarHBondContact O-CB 3.18Å; V103-W106 PolarHBondContact O-N 3.46Å; V103-W106 VanDerWaalsContact O-N 3.1Å; R104-W106 VanDerWaalsContact C-N 3.28Å; R104-W106 PolarHBondContact O-N 2.9Å; W106-D109 PolarHBondContact O-N 2.94Å; W106-V110 WeakPolarHBondContact O-CG2 3.14Å; W106-V110 PolarHBondContact O-N 2.91Å
107L92.9Very high92.1Very high3 Ų366.3 Ų66.32%0.01632%0.321CS..Hα-helixtrans-64.3-42.3175.5-70.4164.3000112.3I90 V103 R104 D109 V110 E111 K120 E156 M158I90-L107 HydrophobicContact CD1-CD2 4.13Å; I90-L107 HydrophobicContact CG1-CD2 4.48Å; V103-L107 HydrophobicContact CG1-CD1 3.96Å; V103-L107 HydrophobicContact CG1-CG 4.36Å; V103-L107 WeakPolarHBondContact O-CG 3.47Å; V103-L107 PolarHBondContact O-N 3.38Å; R104-L107 WeakPolarHBondContact O-CB 3.5Å; R104-L107 PolarHBondContact O-N 2.82Å; R104-L107 VanDerWaalsContact O-N 3.15Å; L107-D109 VanDerWaalsContact C-N 3.27Å; L107-D109 PolarHBondContact O-N 2.87Å; L107-V110 WeakPolarHBondContact O-CA 3.4Å; L107-V110 WeakPolarHBondContact O-CB 3.35Å; L107-V110 PolarHBondContact O-N 3.47Å; L107-E111 WeakPolarHBondContact O-CG 3.47Å; L107-E111 PolarHBondContact O-N 3.47Å; L107-K120 HydrophobicContact CD2-CD 4.05Å; L107-E156 HydrophobicContact CD1-CB 4.16Å; L107-E156 HydrophobicContact CD1-CG 3.63Å; L107-M158 HydrophobicContact CD1-CE 3.67Å; L107-M158 HydrophobicContact CD2-CE 4.02Å; L107-M158 HydrophobicContact CD2-SD 4.16Å; L107-M158 HydrophobicContact CG-CE 4.39Å
108E92.5Very high92.1Very high126 Ų12661.8 Ų61.859%0.58930%0.301SS*.Hα-helixtrans-56.2-42174.3-71.9171.1-170.800112R104 K112R104-E108 WeakPolarHBondContact O-CG 3.44Å; R104-E108 PolarHBondContact O-N 2.88Å; E108-K112 WeakPolarHBondContact O-CB 3.39Å; E108-K112 PolarHBondContact O-N 2.8Å; E108-K112 VanDerWaalsContact O-N 3.14Å
109D90.6Very high92.2Very high26 Ų2656.5 Ų56.514%0.13928%0.277CS..Hα-helixtrans-66.1-41.2175.4-75.6-34.1000111.2R75 Y82 R105 W106 L107 K112 F113R75-D109 IonicContact CZ-OD2 3.76Å; R75-D109 VanDerWaalsContact CZ-OD2 3.31Å; R75-D109 IonicContact NH1-OD1 2.74Å; R75-D109 IonicContact NH1-OD2 2.91Å; R75-D109 PolarHBondContact NH1-OD2 2.61Å; R75-D109 IonicContact NH2-OD2 2.89Å; Y82-D109 HydrophobicContact CE2-CB 4Å; R105-D109 PolarHBondContact O-N 2.69Å; W106-D109 PolarHBondContact O-N 2.94Å; L107-D109 VanDerWaalsContact C-N 3.27Å; L107-D109 PolarHBondContact O-N 2.87Å; D109-K112 PolarHBondContact O-N 3.49Å; D109-F113 HydrophobicContact CB-CD2 4.46Å; D109-F113 WeakPolarHBondContact O-CD2 3.27Å; D109-F113 PolarHBondContact O-N 3.45Å
110V92.3Very high92.4Very high2 Ų258.2 Ų58.21%0.01228%0.284CS..Hα-helixtrans-60.2-49.8176.4167.60000111.1I18 Y82 I88 W106 L107 K112 F113 A114 V118 K120I18-V110 HydrophobicContact CD1-CG2 3.5Å; I18-V110 VanDerWaalsContact CD1-CG2 3.5Å; Y82-V110 HydrophobicContact CE1-CG2 4.31Å; I88-V110 HydrophobicContact CD1-CB 4.26Å; I88-V110 HydrophobicContact CD1-CG1 3.66Å; I88-V110 HydrophobicContact CD1-CG2 3.73Å; I88-V110 HydrophobicContact CG2-CG2 3.94Å; W106-V110 WeakPolarHBondContact O-CG2 3.14Å; W106-V110 PolarHBondContact O-N 2.91Å; L107-V110 WeakPolarHBondContact O-CA 3.4Å; L107-V110 WeakPolarHBondContact O-CB 3.35Å; L107-V110 PolarHBondContact O-N 3.47Å; V110-K112 PolarHBondContact O-N 3.27Å; V110-F113 PolarHBondContact O-N 3.01Å; V110-A114 HydrophobicContact CG1-CB 4.04Å; V110-A114 WeakPolarHBondContact O-CB 3.26Å; V110-A114 PolarHBondContact O-N 3.44Å; V110-V118 HydrophobicContact CG1-CG1 4.13Å; V110-K120 HydrophobicContact CG1-CD 4.24Å
111E92.4Very high92.4Very high127 Ų12757 Ų5759%0.59328%0.279SS*.Hα-helixtrans-60.6-33.4179.8-71.7179.8176.400112.6L107L107-E111 WeakPolarHBondContact O-CG 3.47Å; L107-E111 PolarHBondContact O-N 3.47Å
112K91.8Very high92.6Very high156 Ų15652.6 Ų52.668%0.67826%0.256SS*.Hα-helixtrans-75.7-31.6-179.1-174.8171.9177.6176.70113.9E108 D109 V110E108-K112 WeakPolarHBondContact O-CB 3.39Å; E108-K112 PolarHBondContact O-N 2.8Å; E108-K112 VanDerWaalsContact O-N 3.14Å; D109-K112 PolarHBondContact O-N 3.49Å; V110-K112 PolarHBondContact O-N 3.27Å
113F91.8Very high92.7Very high56 Ų5652 Ų5225%0.24625%0.252CS..Hα-helixtrans-125.1-21.1-165.4-61.6-63000115.1Q79 Y82 D109 V110Q79-F113 HydrophobicContact CB-CD1 4.41Å; Q79-F113 HydrophobicContact CB-CD2 4.35Å; Q79-F113 HydrophobicContact CB-CG 4.31Å; Q79-F113 VanDerWaalsContact CD-CZ 3.41Å; Q79-F113 HydrophobicContact CG-CD1 4.39Å; Q79-F113 HydrophobicContact CG-CD2 3.74Å; Q79-F113 HydrophobicContact CG-CE1 4.23Å; Q79-F113 HydrophobicContact CG-CE2 3.59Å; Q79-F113 HydrophobicContact CG-CG 4.17Å; Q79-F113 HydrophobicContact CG-CZ 3.83Å; Y82-F113 HydrophobicContact CD2-CB 3.69Å; Y82-F113 HydrophobicContact CD2-CD2 4.08Å; Y82-F113 HydrophobicContact CD2-CG 4.3Å; Y82-F113 HydrophobicContact CE2-CD2 4.38Å; Y82-F113 HydrophobicContact CG-CB 4.29Å; D109-F113 HydrophobicContact CB-CD2 4.46Å; D109-F113 WeakPolarHBondContact O-CD2 3.27Å; D109-F113 PolarHBondContact O-N 3.45Å; V110-F113 PolarHBondContact O-N 3.01Å
114A92.1Very high92.6Very high17 Ų1752 Ų5214%0.1425%0.252CS..SBendtrans-84.8165.6178.800000111.9I88 V110 V118I88-A114 HydrophobicContact CD1-CB 3.87Å; V110-A114 HydrophobicContact CG1-CB 4.04Å; V110-A114 WeakPolarHBondContact O-CB 3.26Å; V110-A114 PolarHBondContact O-N 3.44Å; A114-V118 HydrophobicContact CB-CB 4.22Å; A114-V118 HydrophobicContact CB-CG1 3.82Å; A114-V118 HydrophobicContact CB-CG2 4.44Å
115A90.3Very high92.4Very high32 Ų3244.4 Ų44.426%0.26422%0.223SC..  trans-65.4144.1171.900000110.6N117 V118A115-N117 WeakPolarHBondContact CB-OD1 3.32Å; A115-N117 PolarHBondContact O-N 2.99Å; A115-V118 VanDerWaalsContact O-CB 3.31Å; A115-V118 WeakPolarHBondContact O-CB 3.5Å; A115-V118 VanDerWaalsContact O-CG1 3.3Å; A115-V118 WeakPolarHBondContact O-CG1 3.26Å; A115-V118 PolarHBondContact O-N 2.9Å
116P87Confident92.2Very high142 Ų14238.9 Ų38.992%0.92220%0.203SC*.THydrogen-bonded Turntrans-58.2-24.3-177.7-26.934.8000115.1
117N87.4Confident91.1Very high51 Ų5139.4 Ų39.427%0.27321%0.206SC..THydrogen-bonded Turntrans-97.49.6-17963.3-24.2000113.8A115 V119 P191A115-N117 WeakPolarHBondContact CB-OD1 3.32Å; A115-N117 PolarHBondContact O-N 2.99Å; N117-V119 PolarHBondContact O-N 2.91Å; N117-P191 PolarHBondContact ND2-O 3.42Å
118V93.3Very high89.8Confident17 Ų1742.3 Ų42.310%0.10323%0.227CC..  trans-57.7134.2178.172.30000110.6A85 N86 I88 V110 A114 A115 K120A85-V118 HydrophobicContact CB-CG2 4.37Å; N86-V118 WeakPolarHBondContact O-CG2 3.46Å; I88-V118 HydrophobicContact CB-CG2 4.49Å; I88-V118 HydrophobicContact CD1-CG1 4.45Å; I88-V118 HydrophobicContact CD1-CG2 3.84Å; I88-V118 HydrophobicContact CG1-CG2 3.72Å; V110-V118 HydrophobicContact CG1-CG1 4.13Å; A114-V118 HydrophobicContact CB-CB 4.22Å; A114-V118 HydrophobicContact CB-CG1 3.82Å; A114-V118 HydrophobicContact CB-CG2 4.44Å; A115-V118 VanDerWaalsContact O-CB 3.31Å; A115-V118 WeakPolarHBondContact O-CB 3.5Å; A115-V118 VanDerWaalsContact O-CG1 3.3Å; A115-V118 WeakPolarHBondContact O-CG1 3.26Å; A115-V118 PolarHBondContact O-N 2.9Å; V118-K120 HydrophobicContact CG1-CG 4.41Å
119V95Very high88.2Confident8 Ų836.5 Ų36.55%0.04820%0.2CC..EExtended strand (participates in β ladder)trans-82.7128.3176.9-175.70000109.1N86 G87 I88 N117 L178 E181 L182N86-V119 PolarHBondContact O-N 2.86Å; G87-V119 CarbonylContact C-O 3.59Å; G87-V119 WeakPolarHBondContact CA-O 3.17Å; I88-V119 PolarHBondContact N-O 3.16Å; N117-V119 PolarHBondContact O-N 2.91Å; V119-L178 HydrophobicContact CB-CD1 3.88Å; V119-L178 HydrophobicContact CG1-CD1 3.44Å; V119-L178 VanDerWaalsContact CG1-CD1 3.44Å; V119-E181 HydrophobicContact CG1-CB 4.39Å; V119-E181 HydrophobicContact CG1-CG 3.66Å; V119-E181 HydrophobicContact CG2-CG 4.19Å; V119-L182 HydrophobicContact CB-CD2 3.87Å; V119-L182 HydrophobicContact CB-CG 4.3Å; V119-L182 HydrophobicContact CG2-CD2 3.37Å; V119-L182 HydrophobicContact CG2-CG 4.02Å
120K95.9Very high86.5Confident40 Ų4037.5 Ų37.517%0.17421%0.208CC..EExtended strand (participates in β ladder)trans-107.4136.6-179.3-62.2178.2-65.5175.30110I88 I90 L107 V110 V118 E156 M158I88-K120 CarbonylContact O-C 3.58Å; I88-K120 WeakPolarHBondContact O-CA 3.45Å; I90-K120 HydrophobicContact CD1-CB 4.3Å; L107-K120 HydrophobicContact CD2-CD 4.05Å; V110-K120 HydrophobicContact CG1-CD 4.24Å; V118-K120 HydrophobicContact CG1-CG 4.41Å; K120-E156 WeakPolarHBondContact CE-O 3.41Å; K120-E156 PolarHBondContact NZ-O 3.39Å; K120-M158 HydrophobicContact CB-CB 3.86Å; K120-M158 HydrophobicContact CB-SD 4.43Å; K120-M158 WeakPolarHBondContact O-CB 3.44Å
121L96.9Very high84.6Confident4 Ų438.3 Ų38.32%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-129.8128172175.266.9000109.5I88 I89 I90 I123 D159 I161 A174 L178I88-L121 PolarHBondContact O-N 3.42Å; I89-L121 CarbonylContact C-O 3.53Å; I89-L121 WeakPolarHBondContact CA-O 3.34Å; I89-L121 HydrophobicContact CG1-CB 4.36Å; I89-L121 HydrophobicContact CG1-CD2 4.32Å; I90-L121 PolarHBondContact N-O 3.1Å; L121-I123 HydrophobicContact CD2-CD1 4.32Å; L121-I123 HydrophobicContact CD2-CG1 4.21Å; L121-I123 HydrophobicContact CG-CG1 4.26Å; L121-D159 HydrophobicContact CD1-CB 3.81Å; L121-I161 HydrophobicContact CD1-CD1 3.94Å; L121-I161 HydrophobicContact CD1-CG1 4.05Å; L121-I161 HydrophobicContact CD2-CD1 4.4Å; L121-A174 HydrophobicContact CD2-CB 4.11Å; L121-A174 WeakPolarHBondContact CD2-O 3.45Å; L121-L178 HydrophobicContact CB-CD1 4.44Å; L121-L178 HydrophobicContact CD2-CB 4.32Å
122L97Very high82.8Confident0 Ų037.6 Ų37.60%022%0.217CC..EExtended strand (participates in β ladder)trans-91.4128.5171.8-172.261.6000109.9I90 Y92 V103 L152 A153 M158 D159 L160 I161I90-L122 HydrophobicContact CB-CD1 4.2Å; I90-L122 HydrophobicContact CG2-CD1 4.4Å; Y92-L122 HydrophobicContact CD1-CD1 3.81Å; Y92-L122 HydrophobicContact CD1-CG 4.18Å; Y92-L122 HydrophobicContact CE1-CD1 4.08Å; Y92-L122 HydrophobicContact CE1-CD2 4.11Å; Y92-L122 HydrophobicContact CE1-CG 3.92Å; V103-L122 HydrophobicContact CG1-CD1 3.82Å; V103-L122 HydrophobicContact CG2-CD1 4.18Å; L122-L152 HydrophobicContact CD2-CD2 4.28Å; L122-A153 HydrophobicContact CD2-CB 4.18Å; L122-M158 HydrophobicContact CB-CE 4.34Å; L122-M158 HydrophobicContact CB-CG 4.36Å; L122-M158 HydrophobicContact CB-SD 3.83Å; L122-M158 HydrophobicContact CD2-CE 4.2Å; L122-D159 WeakPolarHBondContact CB-O 3.24Å; L122-D159 PolarHBondContact N-O 3.26Å; L122-L160 HydrophobicContact CB-CD1 4.11Å; L122-L160 HydrophobicContact CD2-CD1 3.83Å; L122-L160 HydrophobicContact CG-CD1 3.77Å; L122-L160 WeakPolarHBondContact O-CA 3.47Å; L122-I161 PolarHBondContact O-N 3.17Å
123I95.1Very high80.7Confident0 Ų031.3 Ų31.30%019%0.193CC..EExtended strand (participates in β ladder)trans-114.6117.8172.9-67.3-175.9000109.8I89 I90 C91 Y92 L121 N125 I161 T163 A174I89-I123 HydrophobicContact CG2-CB 4.32Å; I89-I123 HydrophobicContact CG2-CD1 3.36Å; I89-I123 HydrophobicContact CG2-CG1 3.74Å; I90-I123 PolarHBondContact O-N 3.1Å; C91-I123 WeakPolarHBondContact CA-O 3.42Å; Y92-I123 VanDerWaalsContact CD1-O 3.27Å; Y92-I123 WeakPolarHBondContact CD1-O 3.41Å; Y92-I123 PolarHBondContact N-O 3.38Å; L121-I123 HydrophobicContact CD2-CD1 4.32Å; L121-I123 HydrophobicContact CD2-CG1 4.21Å; L121-I123 HydrophobicContact CG-CG1 4.26Å; I123-N125 HydrophobicContact CG2-CB 4.21Å; I123-I161 WeakPolarHBondContact CA-O 3.31Å; I123-T163 HydrophobicContact CD1-CG2 4.41Å; I123-T163 HydrophobicContact CG2-CG2 3.78Å; I123-T163 WeakPolarHBondContact CG2-OG1 3.34Å; I123-A174 HydrophobicContact CD1-CB 3.82Å
124G93.7Very high78.5Confident0 Ų034.6 Ų34.60%022%0.217CC..EExtended strand (participates in β ladder)trans-90.1103.1163.800000109.2Y92 I161 E162 T163Y92-G124 VanDerWaalsContact CZ-CA 3.43Å; G124-I161 PolarHBondContact N-O 3.41Å; G124-E162 CarbonylContact O-C 3.46Å; G124-E162 WeakPolarHBondContact O-CA 3.3Å; G124-T163 PolarHBondContact O-N 2.87Å
125N88.6Confident76.3Confident0 Ų040 Ų400%024%0.237CC..EExtended strand (participates in β ladder)trans-93.9124.4-176.9-175.530.1000110.5V23 Y92 D93 V94 I123 N127 T163 A165V23-N125 PolarHBondContact O-ND2 2.95Å; Y92-N125 PolarHBondContact O-N 3.06Å; D93-N125 WeakPolarHBondContact CA-O 3.38Å; D93-N125 VanDerWaalsContact OD1-O 3.11Å; V94-N125 PolarHBondContact N-O 3.23Å; V94-N125 VanDerWaalsContact N-O 3.14Å; I123-N125 HydrophobicContact CG2-CB 4.21Å; N125-N127 VanDerWaalsContact ND2-CG 3.29Å; N125-N127 PolarHBondContact ND2-ND2 3.29Å; N125-N127 PolarHBondContact ND2-OD1 2.79Å; N125-N127 PolarHBondContact O-N 2.93Å; N125-T163 CarbonylContact C-O 3.59Å; N125-T163 WeakPolarHBondContact CA-O 3.41Å; N125-T163 PolarHBondContact OD1-O 3.01Å; N125-T163 PolarHBondContact OD1-OG1 2.77Å; N125-A165 PolarHBondContact OD1-N 2.86Å
126A86.6Confident74.4Confident2 Ų243.4 Ų43.42%0.01726%0.255CS..  trans-92.581.3174.300000109.3V94 S128 L129 V131 T163 S164V94-A126 HydrophobicContact CG2-CB 3.73Å; A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 3.44Å; A126-L129 HydrophobicContact CB-CB 4.2Å; A126-L129 WeakPolarHBondContact CB-O 3.43Å; A126-V131 HydrophobicContact CB-CG2 4.36Å; A126-T163 PolarHBondContact N-O 3.09Å; A126-S164 PolarHBondContact O-OG 2.9Å
127N70.7Confident72.6Confident18 Ų1841.3 Ų41.310%0.09624%0.236CC..SBendtrans-65.2-34.5-178-73.9-54.1000112.6V23 D93 N125V23-N127 VanDerWaalsContact C-ND2 3.25Å; V23-N127 PolarHBondContact O-ND2 3.09Å; D93-N127 PolarHBondContact OD2-ND2 3.36Å; N125-N127 VanDerWaalsContact ND2-CG 3.29Å; N125-N127 PolarHBondContact ND2-ND2 3.29Å; N125-N127 PolarHBondContact ND2-OD1 2.79Å; N125-N127 PolarHBondContact O-N 2.93Å
128S64.5Low71Confident64 Ų6440.8 Ų40.845%0.44823%0.233SC..SBendtrans-109.4-18.8-175.2-56.20000113.2A126A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 3.44Å
129L58.3Low69.3Low5 Ų543.7 Ų43.73%0.02625%0.248CC..SBendtrans-113149.8-172.5-64.3-179.4000112.8T95 A126 L138 E141 R142T95-L129 HydrophobicContact CG2-CD1 3.7Å; T95-L129 HydrophobicContact CG2-CG 3.93Å; A126-L129 HydrophobicContact CB-CB 4.2Å; A126-L129 WeakPolarHBondContact CB-O 3.43Å; L129-L138 VanDerWaalsContact CD1-O 3.24Å; L129-L138 WeakPolarHBondContact CD1-O 3.19Å; L129-L138 HydrophobicContact CD2-CB 3.81Å; L129-L138 HydrophobicContact CD2-CD2 3.57Å; L129-L138 HydrophobicContact CD2-CG 4.26Å; L129-L138 WeakPolarHBondContact CD2-O 3.41Å; L129-E141 HydrophobicContact CD1-CB 4.01Å; L129-E141 HydrophobicContact CD2-CB 4Å; L129-E141 HydrophobicContact CD2-CG 4.41Å; L129-E141 HydrophobicContact CG-CB 4.26Å; L129-R142 HydrophobicContact CD1-CB 3.92Å
130P54.8Low67.5Low47 Ų4749.4 Ų49.431%0.30528%0.278SS..  trans-61135.9160.2-15.829.4000109.7V132 S133 L138P130-V132 PolarHBondContact O-N 2.7Å; P130-S133 PolarHBondContact O-N 2.95Å; P130-L138 HydrophobicContact CG-CD1 3.81Å
131V54.1Low66.5Low18 Ų1852.3 Ų52.311%0.10929%0.292CS..SBendtrans-57-34.3177.5-179.70000111.6A126 E162 T163 V169A126-V131 HydrophobicContact CB-CG2 4.36Å; V131-E162 HydrophobicContact CG1-CB 3.85Å; V131-T163 VanDerWaalsContact CG2-C 3.45Å; V131-V169 HydrophobicContact CB-CB 4.32Å; V131-V169 HydrophobicContact CB-CG1 3.82Å; V131-V169 HydrophobicContact CG1-CG1 4.14Å; V131-V169 HydrophobicContact CG2-CB 3.64Å; V131-V169 HydrophobicContact CG2-CG1 3.59Å; V131-V169 HydrophobicContact CG2-CG2 4.24Å
132V53.8Low65.9Low113 Ų11354.2 Ų54.269%0.68530%0.299SS*.SBendtrans-10988170.6-172.40000108P130 T134P130-V132 PolarHBondContact O-N 2.7Å; V132-T134 HydrophobicContact CG1-CG2 4.17Å; V132-T134 PolarHBondContact O-N 3.15Å; V132-T134 VanDerWaalsContact O-N 3.16Å
133S48.4Very low65.4Low24 Ų2459.6 Ų59.617%0.16832%0.324CS..  trans-78.495.6172.349.70000109.5P130 I139P130-S133 PolarHBondContact O-N 2.95Å; S133-I139 WeakPolarHBondContact O-CD1 3.25Å; S133-I139 WeakPolarHBondContact O-CG1 3.49Å; S133-I139 VanDerWaalsContact OG-CG1 3.31Å; S133-I139 WeakPolarHBondContact OG-CG1 3.45Å
134T44.5Very low65.1Low124 Ų12459.8 Ų59.876%0.76133%0.325SS*.  trans-80.8-8.4167.150.70000112.6V132V132-T134 HydrophobicContact CG1-CG2 4.17Å; V132-T134 PolarHBondContact O-N 3.15Å; V132-T134 VanDerWaalsContact O-N 3.16Å
135K46.6Very low64.9Low130 Ų13061.9 Ų61.957%0.56534%0.34SS*.SBendtrans-101.6125.3178.9-50.4-176.7175.7175.50110.2D137 L138 I139K135-D137 WeakPolarHBondContact CB-OD1 3.45Å; K135-D137 PolarHBondContact O-N 2.81Å; K135-L138 HydrophobicContact CB-CD1 4.49Å; K135-L138 HydrophobicContact CD-CD1 4.42Å; K135-L138 PolarHBondContact O-N 2.85Å; K135-L138 VanDerWaalsContact O-N 3.13Å; K135-I139 PolarHBondContact O-N 3.13Å
136T49.6Very low64.9Low104 Ų10464.6 Ų64.664%0.63836%0.356SS*.Hα-helixtrans-62.7-29-172.4-37.90000113.3L138 I139 N140T136-L138 VanDerWaalsContact C-N 3.32Å; T136-L138 PolarHBondContact O-N 3.24Å; T136-I139 PolarHBondContact O-N 3.31Å; T136-N140 PolarHBondContact O-N 2.55Å; T136-N140 PolarHBondContact O-ND2 3.33Å
137D49.8Very low65.1Low99 Ų9970.2 Ų70.253%0.52938%0.382SS..Hα-helixtrans-62.2-37.8174.956.2-37000112.5K135K135-D137 WeakPolarHBondContact CB-OD1 3.45Å; K135-D137 PolarHBondContact O-N 2.81Å
138L54.1Low66.2Low39 Ų3973.4 Ų73.420%0.20440%0.397CS..Hα-helixtrans-85.7-22.3179.9-69.2172.4000112.7L129 P130 K135 T136 N140L129-L138 VanDerWaalsContact CD1-O 3.24Å; L129-L138 WeakPolarHBondContact CD1-O 3.19Å; L129-L138 HydrophobicContact CD2-CB 3.81Å; L129-L138 HydrophobicContact CD2-CD2 3.57Å; L129-L138 HydrophobicContact CD2-CG 4.26Å; L129-L138 WeakPolarHBondContact CD2-O 3.41Å; P130-L138 HydrophobicContact CG-CD1 3.81Å; K135-L138 HydrophobicContact CB-CD1 4.49Å; K135-L138 HydrophobicContact CD-CD1 4.42Å; K135-L138 PolarHBondContact O-N 2.85Å; K135-L138 VanDerWaalsContact O-N 3.13Å; T136-L138 VanDerWaalsContact C-N 3.32Å; T136-L138 PolarHBondContact O-N 3.24Å; L138-N140 PolarHBondContact O-N 3.41Å
139I56.7Low67.5Low79 Ų7970.4 Ų70.441%0.40538%0.375SS..Hα-helixtrans-63.1-29.5169.7-67.1162.9000110.5S133 K135 T136 E141 R142S133-I139 WeakPolarHBondContact O-CD1 3.25Å; S133-I139 WeakPolarHBondContact O-CG1 3.49Å; S133-I139 VanDerWaalsContact OG-CG1 3.31Å; S133-I139 WeakPolarHBondContact OG-CG1 3.45Å; K135-I139 PolarHBondContact O-N 3.13Å; T136-I139 PolarHBondContact O-N 3.31Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 2.82Å; I139-R142 PolarHBondContact O-N 2.81Å
140N58.1Low69.1Low128 Ų12873.7 Ų73.768%0.68439%0.393SS*.THydrogen-bonded Turntrans-71.2-20.8-176.9-67.2-25.8000114.8T136 L138T136-N140 PolarHBondContact O-N 2.55Å; T136-N140 PolarHBondContact O-ND2 3.33Å; L138-N140 PolarHBondContact O-N 3.41Å
141E74.6Confident71Confident100 Ų10076.9 Ų76.947%0.46740%0.402SS..THydrogen-bonded Turntrans-89-10.1176.1-55-180178.500112.2T95 L129 I139 E143T95-E141 WeakPolarHBondContact CA-O 3.5Å; T95-E141 WeakPolarHBondContact CB-O 3.2Å; T95-E141 HydrophobicContact CG2-CB 4.49Å; T95-E141 WeakPolarHBondContact CG2-O 3.34Å; L129-E141 HydrophobicContact CD1-CB 4.01Å; L129-E141 HydrophobicContact CD2-CB 4Å; L129-E141 HydrophobicContact CD2-CG 4.41Å; L129-E141 HydrophobicContact CG-CB 4.26Å; I139-E141 VanDerWaalsContact C-N 3.33Å; I139-E141 PolarHBondContact O-N 2.82Å; E141-E143 PolarHBondContact O-N 2.78Å
142R84.8Confident72.9Confident45 Ų4576.6 Ų76.617%0.1740%0.4CS..  trans-76.4113.1174.9176.7-177.7-89.5-105.413108.3L129 I139 I144 T146 E162L129-R142 HydrophobicContact CD1-CB 3.92Å; I139-R142 PolarHBondContact O-N 2.81Å; R142-I144 WeakPolarHBondContact CD-O 3.49Å; R142-I144 WeakPolarHBondContact CG-O 3.4Å; R142-I144 PolarHBondContact NH1-O 3.06Å; R142-T146 PolarHBondContact NH1-OG1 2.62Å; R142-E162 IonicContact CZ-OE1 3.19Å; R142-E162 IonicContact CZ-OE2 3.05Å; R142-E162 IonicContact NH1-OE1 2.7Å; R142-E162 PolarHBondContact NH1-OE1 3.02Å; R142-E162 IonicContact NH1-OE2 2.61Å; R142-E162 IonicContact NH2-OE1 2.79Å; R142-E162 PolarHBondContact NH2-OE1 3.06Å; R142-E162 IonicContact NH2-OE2 2.76Å; R142-E162 PolarHBondContact NH2-OE2 3.42Å
143E86.8Confident74.8Confident113 Ų11371.3 Ų71.353%0.52837%0.368SS..  trans-86.6-28.1175.6-65.1-171.2169.100111.7V94 S96 E97 E141V94-E143 PolarHBondContact O-N 3.36Å; S96-E143 WeakPolarHBondContact CA-OE2 3.33Å; E97-E143 HydrophobicContact CB-CB 4.33Å; E97-E143 WeakPolarHBondContact CB-OE2 3.18Å; E97-E143 PolarHBondContact N-OE2 3.29Å; E141-E143 PolarHBondContact O-N 2.78Å
144I88.2Confident77Confident3 Ų377.1 Ų77.12%0.01539%0.392CS..SBendtrans-114.5120.4-177.2-54.9-54.3000111Y92 V94 E97 F100 R142 E148Y92-I144 HydrophobicContact CE2-CB 4.17Å; Y92-I144 HydrophobicContact CE2-CG1 4.45Å; Y92-I144 HydrophobicContact CE2-CG2 3.96Å; V94-I144 PolarHBondContact O-N 3.09Å; V94-I144 VanDerWaalsContact O-N 3.12Å; E97-I144 HydrophobicContact CB-CD1 3.94Å; E97-I144 HydrophobicContact CG-CD1 3.91Å; F100-I144 HydrophobicContact CB-CD1 3.96Å; F100-I144 HydrophobicContact CB-CG1 3.74Å; F100-I144 HydrophobicContact CD1-CD1 3.79Å; F100-I144 HydrophobicContact CD1-CG1 4.2Å; F100-I144 HydrophobicContact CD1-CG2 4.07Å; F100-I144 HydrophobicContact CD2-CG2 3.99Å; F100-I144 HydrophobicContact CE1-CG2 4.18Å; F100-I144 HydrophobicContact CE2-CG2 4.1Å; F100-I144 HydrophobicContact CG-CD1 4.04Å; F100-I144 HydrophobicContact CG-CG1 3.95Å; F100-I144 HydrophobicContact CG-CG2 3.97Å; F100-I144 HydrophobicContact CZ-CG2 4.19Å; R142-I144 WeakPolarHBondContact CD-O 3.49Å; R142-I144 WeakPolarHBondContact CG-O 3.4Å; R142-I144 PolarHBondContact NH1-O 3.06Å; I144-E148 HydrophobicContact CG2-CB 4.16Å
145S89.4Confident79.4Confident45 Ų4574.7 Ų74.732%0.31539%0.385SS..  trans-70.5151175.368.70000111.9E147 E148 G149S145-E147 PolarHBondContact O-N 2.89Å; S145-E148 WeakPolarHBondContact CB-OE2 2.86Å; S145-E148 PolarHBondContact N-OE2 3.02Å; S145-E148 PolarHBondContact O-N 2.79Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 VanDerWaalsContact OG-CG 3.24Å; S145-E148 WeakPolarHBondContact OG-CG 3.43Å; S145-E148 PolarHBondContact OG-N 3.1Å; S145-E148 VanDerWaalsContact OG-N 3.17Å; S145-E148 PolarHBondContact OG-OE2 2.83Å; S145-G149 PolarHBondContact O-N 3.41Å; S145-G149 VanDerWaalsContact O-N 3.15Å
146T89.1Confident81.6Confident57 Ų5770.8 Ų70.835%0.3537%0.368SS..Hα-helixtrans-57.8-32.5173.3-520000111.4R142 G149 L150 L160 E162R142-T146 PolarHBondContact NH1-OG1 2.62Å; T146-G149 PolarHBondContact O-N 2.78Å; T146-L150 HydrophobicContact CG2-CD1 4.08Å; T146-L150 HydrophobicContact CG2-CG 4.38Å; T146-L150 WeakPolarHBondContact O-CB 3.37Å; T146-L150 VanDerWaalsContact O-CG 3.26Å; T146-L150 WeakPolarHBondContact O-CG 3.38Å; T146-L150 PolarHBondContact O-N 3.06Å; T146-L160 HydrophobicContact CG2-CD2 4.43Å; T146-E162 WeakPolarHBondContact CA-OE1 3.36Å; T146-E162 WeakPolarHBondContact CB-OE1 3.39Å; T146-E162 WeakPolarHBondContact CG2-OE1 3.48Å; T146-E162 PolarHBondContact OG1-OE1 2.84Å; T146-E162 PolarHBondContact OG1-OE2 3.24Å
147E91.2Very high83.6Confident120 Ų12074.3 Ų74.356%0.56138%0.378SS*.Hα-helixtrans-64.4-43.2177-169.7-173.4157.400112.1S145 L150 K151S145-E147 PolarHBondContact O-N 2.89Å; E147-L150 PolarHBondContact O-N 2.88Å; E147-K151 HydrophobicContact CG-CD 4.41Å; E147-K151 WeakPolarHBondContact O-CB 3.38Å; E147-K151 VanDerWaalsContact O-CG 3.29Å; E147-K151 WeakPolarHBondContact O-CG 3.29Å; E147-K151 PolarHBondContact O-N 3.05Å; E147-K151 WeakPolarHBondContact OE1-CE 3.37Å; E147-K151 IonicContact OE1-NZ 2.66Å; E147-K151 PolarHBondContact OE1-NZ 3.46Å
148E92.2Very high85.7Confident85 Ų8570.2 Ų70.240%0.39736%0.356SS..Hα-helixtrans-63.8-43.6175.6-73.4164.6119.500111.8F100 I144 S145 L150 K151 L152F100-E148 HydrophobicContact CE1-CB 4.39Å; F100-E148 HydrophobicContact CZ-CB 4.37Å; I144-E148 HydrophobicContact CG2-CB 4.16Å; S145-E148 WeakPolarHBondContact CB-OE2 2.86Å; S145-E148 PolarHBondContact N-OE2 3.02Å; S145-E148 PolarHBondContact O-N 2.79Å; S145-E148 VanDerWaalsContact O-N 3.15Å; S145-E148 VanDerWaalsContact OG-CG 3.24Å; S145-E148 WeakPolarHBondContact OG-CG 3.43Å; S145-E148 PolarHBondContact OG-N 3.1Å; S145-E148 VanDerWaalsContact OG-N 3.17Å; S145-E148 PolarHBondContact OG-OE2 2.83Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 2.96Å; E148-K151 PolarHBondContact O-N 2.99Å; E148-L152 PolarHBondContact O-N 3.48Å
149G92.1Very high87.5Confident0 Ų072.8 Ų72.80%037%0.37CS..Hα-helixtrans-58.2-44.9173.800000112.4S145 T146 L152 A153S145-G149 PolarHBondContact O-N 3.41Å; S145-G149 VanDerWaalsContact O-N 3.15Å; T146-G149 PolarHBondContact O-N 2.78Å; G149-L152 PolarHBondContact O-N 2.68Å; G149-A153 WeakPolarHBondContact O-CB 3.34Å; G149-A153 PolarHBondContact O-N 2.86Å
150L92.2Very high89.4Confident75 Ų7570.4 Ų70.439%0.39336%0.357SS..Hα-helixtrans-66.1-41.2178.7-76.1169.6000111.7T146 E147 E148 L152 A153 Q154 L160T146-L150 HydrophobicContact CG2-CD1 4.08Å; T146-L150 HydrophobicContact CG2-CG 4.38Å; T146-L150 WeakPolarHBondContact O-CB 3.37Å; T146-L150 VanDerWaalsContact O-CG 3.26Å; T146-L150 WeakPolarHBondContact O-CG 3.38Å; T146-L150 PolarHBondContact O-N 3.06Å; E147-L150 PolarHBondContact O-N 2.88Å; E148-L150 VanDerWaalsContact C-N 3.34Å; E148-L150 PolarHBondContact O-N 2.96Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.44Å; L150-A153 PolarHBondContact O-N 3.04Å; L150-Q154 WeakPolarHBondContact O-CB 3.4Å; L150-Q154 VanDerWaalsContact O-CG 3.28Å; L150-Q154 WeakPolarHBondContact O-CG 3.26Å; L150-Q154 PolarHBondContact O-N 3.33Å; L150-L160 HydrophobicContact CB-CD2 4.49Å; L150-L160 HydrophobicContact CD2-CB 3.98Å; L150-L160 HydrophobicContact CD2-CD2 3.84Å; L150-L160 HydrophobicContact CG-CD2 3.74Å
151K95Very high91.1Very high113 Ų11365 Ų6549%0.49133%0.328SS..Hα-helixtrans-59-45.1175.7-77.8170.9-178.1165.10111.5E147 E148 A155E147-K151 HydrophobicContact CG-CD 4.41Å; E147-K151 WeakPolarHBondContact O-CB 3.38Å; E147-K151 VanDerWaalsContact O-CG 3.29Å; E147-K151 WeakPolarHBondContact O-CG 3.29Å; E147-K151 PolarHBondContact O-N 3.05Å; E147-K151 WeakPolarHBondContact OE1-CE 3.37Å; E147-K151 IonicContact OE1-NZ 2.66Å; E147-K151 PolarHBondContact OE1-NZ 3.46Å; E148-K151 PolarHBondContact O-N 2.99Å; K151-A155 WeakPolarHBondContact O-CB 3.4Å; K151-A155 PolarHBondContact O-N 3.14Å
152L93.7Very high92.1Very high13 Ų1361.2 Ų61.27%0.06831%0.311CS..Hα-helixtrans-64.1-46.1176.1-178.264.8000111.3F100 V103 R104 L122 E148 G149 L150 Q154 A155 E156 M158F100-L152 HydrophobicContact CD2-CD2 4.26Å; F100-L152 HydrophobicContact CE1-CD2 4.47Å; F100-L152 HydrophobicContact CE2-CB 4.26Å; F100-L152 HydrophobicContact CE2-CD2 3.53Å; F100-L152 HydrophobicContact CZ-CB 3.87Å; F100-L152 HydrophobicContact CZ-CD2 3.67Å; F100-L152 HydrophobicContact CZ-CG 4.41Å; V103-L152 HydrophobicContact CB-CD2 4.01Å; V103-L152 HydrophobicContact CG1-CD2 3.68Å; R104-L152 HydrophobicContact CG-CD1 4.29Å; L122-L152 HydrophobicContact CD2-CD2 4.28Å; E148-L152 PolarHBondContact O-N 3.48Å; G149-L152 PolarHBondContact O-N 2.68Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L150-L152 PolarHBondContact O-N 3.44Å; L152-Q154 VanDerWaalsContact C-N 3.34Å; L152-Q154 PolarHBondContact O-N 3.36Å; L152-A155 PolarHBondContact O-N 3.02Å; L152-E156 HydrophobicContact CD1-CG 4Å; L152-E156 HydrophobicContact CG-CG 4.49Å; L152-E156 WeakPolarHBondContact O-CB 3.39Å; L152-E156 VanDerWaalsContact O-CG 3.29Å; L152-E156 WeakPolarHBondContact O-CG 3.4Å; L152-E156 PolarHBondContact O-N 3.43Å; L152-E156 VanDerWaalsContact O-N 3.09Å; L152-M158 HydrophobicContact CG-CE 4.38Å
153A94.3Very high92.4Very high2 Ų259.1 Ų59.12%0.01730%0.303CS..Hα-helixtrans-59.8-44179.900000112.2L122 G149 L150 E156 Q157 M158 L160L122-A153 HydrophobicContact CD2-CB 4.18Å; G149-A153 WeakPolarHBondContact O-CB 3.34Å; G149-A153 PolarHBondContact O-N 2.86Å; L150-A153 PolarHBondContact O-N 3.04Å; A153-E156 CarbonylContact O-C 3.5Å; A153-E156 PolarHBondContact O-N 3.03Å; A153-Q157 PolarHBondContact O-N 3.32Å; A153-M158 CarbonylContact C-O 3.57Å; A153-M158 HydrophobicContact CB-CG 4.1Å; A153-M158 WeakPolarHBondContact CB-O 3.2Å; A153-M158 PolarHBondContact O-N 3.27Å; A153-M158 VanDerWaalsContact O-O 3.08Å; A153-L160 HydrophobicContact CB-CB 3.92Å
154Q94.1Very high92.7Very high145 Ų14553.7 Ų53.768%0.67828%0.278SS*.Hα-helixtrans-64.1-44.6175.8-73.4174.7-3.700112.7L150 L152 E156 Q157L150-Q154 WeakPolarHBondContact O-CB 3.4Å; L150-Q154 VanDerWaalsContact O-CG 3.28Å; L150-Q154 WeakPolarHBondContact O-CG 3.26Å; L150-Q154 PolarHBondContact O-N 3.33Å; L152-Q154 VanDerWaalsContact C-N 3.34Å; L152-Q154 PolarHBondContact O-N 3.36Å; Q154-E156 PolarHBondContact O-N 3.38Å; Q154-Q157 PolarHBondContact O-N 2.92Å
155A94.4Very high92.8Very high73 Ų7353.6 Ų53.660%0.60328%0.277SS*.Hα-helixtrans-60-34.8178.600000112.1K151 L152K151-A155 WeakPolarHBondContact O-CB 3.4Å; K151-A155 PolarHBondContact O-N 3.14Å; L152-A155 PolarHBondContact O-N 3.02Å
156E93.1Very high92.8Very high48 Ų4855.3 Ų55.322%0.22428%0.279CS..THydrogen-bonded Turntrans-100.77.4-174.1-61.2-65.5161.700113.7L107 K120 L152 A153 Q154 M158L107-E156 HydrophobicContact CD1-CB 4.16Å; L107-E156 HydrophobicContact CD1-CG 3.63Å; K120-E156 WeakPolarHBondContact CE-O 3.41Å; K120-E156 PolarHBondContact NZ-O 3.39Å; L152-E156 HydrophobicContact CD1-CG 4Å; L152-E156 HydrophobicContact CG-CG 4.49Å; L152-E156 WeakPolarHBondContact O-CB 3.39Å; L152-E156 VanDerWaalsContact O-CG 3.29Å; L152-E156 WeakPolarHBondContact O-CG 3.4Å; L152-E156 PolarHBondContact O-N 3.43Å; L152-E156 VanDerWaalsContact O-N 3.09Å; A153-E156 CarbonylContact O-C 3.5Å; A153-E156 PolarHBondContact O-N 3.03Å; Q154-E156 PolarHBondContact O-N 3.38Å; E156-M158 HydrophobicContact CB-CE 3.44Å; E156-M158 VanDerWaalsContact CB-CE 3.44Å; E156-M158 HydrophobicContact CB-CG 4.22Å; E156-M158 HydrophobicContact CB-SD 4.37Å; E156-M158 HydrophobicContact CG-CE 3.88Å
157Q91.9Very high92.8Very high179 Ų17957.9 Ų57.984%0.83629%0.287SS*.THydrogen-bonded Turntrans55.350.3179.2-56.7177-1.900113.5A153 Q154A153-Q157 PolarHBondContact O-N 3.32Å; Q154-Q157 PolarHBondContact O-N 2.92Å
158M93.7Very high92.7Very high13 Ų1356.4 Ų56.46%0.06428%0.283CS..  trans-134.1158.517656.3-177.916200111.1I90 L107 K120 L122 L152 A153 E156I90-M158 HydrophobicContact CD1-SD 4.25Å; L107-M158 HydrophobicContact CD1-CE 3.67Å; L107-M158 HydrophobicContact CD2-CE 4.02Å; L107-M158 HydrophobicContact CD2-SD 4.16Å; L107-M158 HydrophobicContact CG-CE 4.39Å; K120-M158 HydrophobicContact CB-CB 3.86Å; K120-M158 HydrophobicContact CB-SD 4.43Å; K120-M158 WeakPolarHBondContact O-CB 3.44Å; L122-M158 HydrophobicContact CB-CE 4.34Å; L122-M158 HydrophobicContact CB-CG 4.36Å; L122-M158 HydrophobicContact CB-SD 3.83Å; L122-M158 HydrophobicContact CD2-CE 4.2Å; L152-M158 HydrophobicContact CG-CE 4.38Å; A153-M158 CarbonylContact C-O 3.57Å; A153-M158 HydrophobicContact CB-CG 4.1Å; A153-M158 WeakPolarHBondContact CB-O 3.2Å; A153-M158 PolarHBondContact O-N 3.27Å; A153-M158 VanDerWaalsContact O-O 3.08Å; E156-M158 HydrophobicContact CB-CE 3.44Å; E156-M158 VanDerWaalsContact CB-CE 3.44Å; E156-M158 HydrophobicContact CB-CG 4.22Å; E156-M158 HydrophobicContact CB-SD 4.37Å; E156-M158 HydrophobicContact CG-CE 3.88Å
159D92.9Very high92.8Very high93 Ų9354.5 Ų54.550%0.49728%0.277SS..EExtended strand (participates in β ladder)trans-79.8152.3171.9-67.7-36.9000110.7L121 L122L121-D159 HydrophobicContact CD1-CB 3.81Å; L122-D159 WeakPolarHBondContact CB-O 3.24Å; L122-D159 PolarHBondContact N-O 3.26Å
160L95.6Very high92.8Very high28 Ų2857.3 Ų57.315%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-110.1130.6167.9176.173000109.6Y92 L122 T146 L150 A153 E162Y92-L160 HydrophobicContact CE1-CD1 4.15Å; L122-L160 HydrophobicContact CB-CD1 4.11Å; L122-L160 HydrophobicContact CD2-CD1 3.83Å; L122-L160 HydrophobicContact CG-CD1 3.77Å; L122-L160 WeakPolarHBondContact O-CA 3.47Å; T146-L160 HydrophobicContact CG2-CD2 4.43Å; L150-L160 HydrophobicContact CB-CD2 4.49Å; L150-L160 HydrophobicContact CD2-CB 3.98Å; L150-L160 HydrophobicContact CD2-CD2 3.84Å; L150-L160 HydrophobicContact CG-CD2 3.74Å; A153-L160 HydrophobicContact CB-CB 3.92Å; L160-E162 HydrophobicContact CD2-CG 4.44Å
161I94.5Very high92.9Very high14 Ų1453.8 Ų53.87%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-127.2117.3165.9-63.6173.8000108.5L121 L122 I123 G124 T163 N170 Q173 A174L121-I161 HydrophobicContact CD1-CD1 3.94Å; L121-I161 HydrophobicContact CD1-CG1 4.05Å; L121-I161 HydrophobicContact CD2-CD1 4.4Å; L122-I161 PolarHBondContact O-N 3.17Å; I123-I161 WeakPolarHBondContact CA-O 3.31Å; G124-I161 PolarHBondContact N-O 3.41Å; I161-T163 HydrophobicContact CG2-CG2 3.9Å; I161-N170 HydrophobicContact CG2-CB 3.69Å; I161-Q173 HydrophobicContact CD1-CG 4.49Å; I161-A174 HydrophobicContact CD1-CB 4.29Å; I161-A174 HydrophobicContact CG2-CB 4.24Å
162E94.3Very high92.9Very high22 Ų2254.5 Ų54.510%0.10328%0.278CS..EExtended strand (participates in β ladder)trans-78132.1169.2-65.8-170.8161.800110G124 V131 R142 T146 L160 N170G124-E162 CarbonylContact O-C 3.46Å; G124-E162 WeakPolarHBondContact O-CA 3.3Å; V131-E162 HydrophobicContact CG1-CB 3.85Å; R142-E162 IonicContact CZ-OE1 3.19Å; R142-E162 IonicContact CZ-OE2 3.05Å; R142-E162 IonicContact NH1-OE1 2.7Å; R142-E162 PolarHBondContact NH1-OE1 3.02Å; R142-E162 IonicContact NH1-OE2 2.61Å; R142-E162 IonicContact NH2-OE1 2.79Å; R142-E162 PolarHBondContact NH2-OE1 3.06Å; R142-E162 IonicContact NH2-OE2 2.76Å; R142-E162 PolarHBondContact NH2-OE2 3.42Å; T146-E162 WeakPolarHBondContact CA-OE1 3.36Å; T146-E162 WeakPolarHBondContact CB-OE1 3.39Å; T146-E162 WeakPolarHBondContact CG2-OE1 3.48Å; T146-E162 PolarHBondContact OG1-OE1 2.84Å; T146-E162 PolarHBondContact OG1-OE2 3.24Å; L160-E162 HydrophobicContact CD2-CG 4.44Å; E162-N170 VanDerWaalsContact O-CB 3.3Å; E162-N170 WeakPolarHBondContact O-CB 3.42Å; E162-N170 PolarHBondContact O-ND2 2.81Å
163T92.8Very high93Very high0 Ų059 Ų590%030%0.299CS..EExtended strand (participates in β ladder)trans-127.6161-175.465.30000111.1I123 G124 N125 A126 V131 I161 V169 N170 I171 A174I123-T163 HydrophobicContact CD1-CG2 4.41Å; I123-T163 HydrophobicContact CG2-CG2 3.78Å; I123-T163 WeakPolarHBondContact CG2-OG1 3.34Å; G124-T163 PolarHBondContact O-N 2.87Å; N125-T163 CarbonylContact C-O 3.59Å; N125-T163 WeakPolarHBondContact CA-O 3.41Å; N125-T163 PolarHBondContact OD1-O 3.01Å; N125-T163 PolarHBondContact OD1-OG1 2.77Å; A126-T163 PolarHBondContact N-O 3.09Å; V131-T163 VanDerWaalsContact CG2-C 3.45Å; I161-T163 HydrophobicContact CG2-CG2 3.9Å; T163-V169 VanDerWaalsContact CA-O 3.31Å; T163-V169 WeakPolarHBondContact CA-O 3.47Å; T163-V169 WeakPolarHBondContact CB-O 3.29Å; T163-N170 HydrophobicContact CG2-CB 4.16Å; T163-I171 HydrophobicContact CG2-CD1 4.37Å; T163-A174 HydrophobicContact CG2-CB 4.26Å
164S92.4Very high93.1Very high0 Ų058.9 Ų58.90%030%0.298CS..BIsolated β-bridgetrans-135.9112.3161.6177.70000108.6A126 K166 E167 N168 V169A126-S164 PolarHBondContact O-OG 2.9Å; S164-K166 PolarHBondContact O-N 2.83Å; S164-K166 PolarHBondContact OG-N 2.83Å; S164-E167 PolarHBondContact OG-N 3.03Å; S164-E167 VanDerWaalsContact OG-N 3.17Å; S164-N168 CarbonylContact O-C 3.59Å; S164-N168 VanDerWaalsContact O-CA 3.27Å; S164-N168 WeakPolarHBondContact O-CA 3.43Å; S164-N168 PolarHBondContact O-N 3.12Å; S164-V169 PolarHBondContact N-O 3.25Å; S164-V169 PolarHBondContact O-N 2.84Å
165A89.9Confident93.2Very high0 Ų052 Ų520%027%0.266CS..THydrogen-bonded Turntrans-63.3-29.6173.400000111.5C27 V28 R31 Y37 N125 I171C27-A165 HydrophobicContact CB-CB 3.63Å; V28-A165 HydrophobicContact CG2-CB 4.16Å; R31-A165 VanDerWaalsContact CZ-O 3.25Å; R31-A165 PolarHBondContact NE-O 3.15Å; R31-A165 PolarHBondContact NH2-O 2.66Å; Y37-A165 HydrophobicContact CD2-CB 4Å; Y37-A165 WeakPolarHBondContact CD2-O 3.31Å; Y37-A165 HydrophobicContact CE2-CB 4.15Å; N125-A165 PolarHBondContact OD1-N 2.86Å; A165-I171 HydrophobicContact CB-CD1 4.34Å
166K89Confident93.3Very high81 Ų8149.8 Ų49.835%0.35225%0.245SC..THydrogen-bonded Turntrans-69.5-50.7178.7-174.9176.2176.9175.90111.9R31 Y37 S164 N168R31-K166 PolarHBondContact NH2-O 2.83Å; Y37-K166 HydrophobicContact CE1-CB 4.15Å; Y37-K166 HydrophobicContact CE1-CG 3.97Å; Y37-K166 HydrophobicContact CE2-CB 4.02Å; S164-K166 PolarHBondContact O-N 2.83Å; S164-K166 PolarHBondContact OG-N 2.83Å; K166-N168 VanDerWaalsContact C-N 3.34Å
167E88.8Confident93.5Very high112 Ų11249.1 Ų49.152%0.52325%0.246SC..THydrogen-bonded Turntrans-89.81.7-178.7-60.2-57.1137.800113.5S164 V169S164-E167 PolarHBondContact OG-N 3.03Å; S164-E167 VanDerWaalsContact OG-N 3.17Å; E167-V169 VanDerWaalsContact C-N 3.28Å; E167-V169 HydrophobicContact CB-CG2 3.82Å; E167-V169 PolarHBondContact O-N 3.09Å
168N90.6Very high93.7Very high88 Ų8841 Ų4147%0.47121%0.208SC..THydrogen-bonded Turntrans54.840-174.8-168.340.5000113.5R31 S164 K166R31-N168 WeakPolarHBondContact CD-OD1 3.42Å; R31-N168 HydrophobicContact CG-CB 4.31Å; R31-N168 WeakPolarHBondContact CG-OD1 3.29Å; S164-N168 CarbonylContact O-C 3.59Å; S164-N168 VanDerWaalsContact O-CA 3.27Å; S164-N168 WeakPolarHBondContact O-CA 3.43Å; S164-N168 PolarHBondContact O-N 3.12Å; K166-N168 VanDerWaalsContact C-N 3.34Å
169V92.8Very high93.8Very high46 Ų4640.4 Ų40.428%0.27921%0.206SC..BIsolated β-bridgetrans-92.8129.5-179.6177.90000109.9V131 T163 S164 E167 I171V131-V169 HydrophobicContact CB-CB 4.32Å; V131-V169 HydrophobicContact CB-CG1 3.82Å; V131-V169 HydrophobicContact CG1-CG1 4.14Å; V131-V169 HydrophobicContact CG2-CB 3.64Å; V131-V169 HydrophobicContact CG2-CG1 3.59Å; V131-V169 HydrophobicContact CG2-CG2 4.24Å; T163-V169 VanDerWaalsContact CA-O 3.31Å; T163-V169 WeakPolarHBondContact CA-O 3.47Å; T163-V169 WeakPolarHBondContact CB-O 3.29Å; S164-V169 PolarHBondContact N-O 3.25Å; S164-V169 PolarHBondContact O-N 2.84Å; E167-V169 VanDerWaalsContact C-N 3.28Å; E167-V169 HydrophobicContact CB-CG2 3.82Å; E167-V169 PolarHBondContact O-N 3.09Å; V169-I171 PolarHBondContact O-N 2.94Å
170N93.6Very high94Very high58 Ų5840.3 Ų40.331%0.3120%0.198SC..SBendtrans55.710.7175.7-59.1-20.4000116.2I161 E162 T163 Q173 A174I161-N170 HydrophobicContact CG2-CB 3.69Å; E162-N170 VanDerWaalsContact O-CB 3.3Å; E162-N170 WeakPolarHBondContact O-CB 3.42Å; E162-N170 PolarHBondContact O-ND2 2.81Å; T163-N170 HydrophobicContact CG2-CB 4.16Å; N170-Q173 HydrophobicContact CB-CB 4.42Å; N170-Q173 PolarHBondContact O-N 3.16Å; N170-Q173 PolarHBondContact OD1-OE1 2.78Å; N170-A174 WeakPolarHBondContact O-CB 3.42Å; N170-A174 PolarHBondContact O-N 2.81Å
171I94.4Very high94Very high1 Ų141.6 Ų41.61%0.00520%0.203CC..Hα-helixtrans-62.7-53.7-179.5-60.9-66.7000110.6V28 R31 F32 T163 A165 V169 Q173 A174 F175V28-I171 HydrophobicContact CB-CD1 4.31Å; V28-I171 HydrophobicContact CG1-CD1 4.06Å; V28-I171 HydrophobicContact CG2-CD1 3.97Å; R31-I171 HydrophobicContact CB-CG2 4.22Å; R31-I171 HydrophobicContact CG-CB 4.36Å; R31-I171 HydrophobicContact CG-CG1 3.99Å; R31-I171 HydrophobicContact CG-CG2 4.08Å; F32-I171 HydrophobicContact CB-CG2 3.68Å; T163-I171 HydrophobicContact CG2-CD1 4.37Å; A165-I171 HydrophobicContact CB-CD1 4.34Å; V169-I171 PolarHBondContact O-N 2.94Å; I171-Q173 VanDerWaalsContact C-N 3.31Å; I171-Q173 PolarHBondContact O-N 2.89Å; I171-A174 PolarHBondContact O-N 3.15Å; I171-F175 WeakPolarHBondContact O-CD2 3.25Å; I171-F175 PolarHBondContact O-N 3.06Å
172E94.7Very high94Very high128 Ų12841 Ų4160%0.59820%0.2SC*.Hα-helixtrans-65.4-36.7178.2-176164.8-168.300112A174 T176E172-A174 PolarHBondContact O-N 3.46Å; E172-T176 WeakPolarHBondContact O-CB 3.36Å; E172-T176 PolarHBondContact O-N 3.05Å; E172-T176 PolarHBondContact O-OG1 3.28Å
173Q94.9Very high94Very high107 Ų10741.1 Ų41.150%0.520%0.201SC..Hα-helixtrans-60.7-43.4176.2-177.2-178.8-13.200111.6I161 N170 I171 T176 S177I161-Q173 HydrophobicContact CD1-CG 4.49Å; N170-Q173 HydrophobicContact CB-CB 4.42Å; N170-Q173 PolarHBondContact O-N 3.16Å; N170-Q173 PolarHBondContact OD1-OE1 2.78Å; I171-Q173 VanDerWaalsContact C-N 3.31Å; I171-Q173 PolarHBondContact O-N 2.89Å; Q173-T176 PolarHBondContact O-N 2.81Å; Q173-S177 WeakPolarHBondContact O-CB 3.47Å; Q173-S177 PolarHBondContact O-N 2.84Å
174A96.3Very high94Very high0 Ų045.8 Ų45.80%022%0.222CC..Hα-helixtrans-58-5218000000112.2L121 I123 I161 T163 N170 I171 E172 L178L121-A174 HydrophobicContact CD2-CB 4.11Å; L121-A174 WeakPolarHBondContact CD2-O 3.45Å; I123-A174 HydrophobicContact CD1-CB 3.82Å; I161-A174 HydrophobicContact CD1-CB 4.29Å; I161-A174 HydrophobicContact CG2-CB 4.24Å; T163-A174 HydrophobicContact CG2-CB 4.26Å; N170-A174 WeakPolarHBondContact O-CB 3.42Å; N170-A174 PolarHBondContact O-N 2.81Å; I171-A174 PolarHBondContact O-N 3.15Å; E172-A174 PolarHBondContact O-N 3.46Å; A174-L178 WeakPolarHBondContact O-CB 3.39Å; A174-L178 PolarHBondContact O-N 3.34Å
175F97.1Very high94Very high1 Ų150 Ų500%0.00424%0.238CC..Hα-helixtrans-69.7-37.1178.9-71.6-82.6000112.8L17 V28 V29 F32 L63 I65 I89 I171 A179L17-F175 HydrophobicContact CD1-CE1 4.34Å; V28-F175 HydrophobicContact CG1-CE2 3.73Å; V28-F175 HydrophobicContact CG1-CZ 4.1Å; V29-F175 HydrophobicContact CG2-CZ 4.33Å; F32-F175 HydrophobicContact CB-CD2 3.7Å; F32-F175 HydrophobicContact CB-CE2 3.52Å; F32-F175 HydrophobicContact CB-CZ 4.3Å; F32-F175 HydrophobicContact CD1-CB 4.38Å; F32-F175 HydrophobicContact CD1-CD1 4.04Å; F32-F175 AromaticContact CD1-CD2 3.7Å; F32-F175 HydrophobicContact CD1-CD2 3.7Å; F32-F175 HydrophobicContact CD1-CE1 4.23Å; F32-F175 AromaticContact CD1-CE2 3.92Å; F32-F175 HydrophobicContact CD1-CE2 3.92Å; F32-F175 AromaticContact CD1-CG 3.77Å; F32-F175 HydrophobicContact CD1-CG 3.77Å; F32-F175 HydrophobicContact CD1-CZ 4.18Å; F32-F175 HydrophobicContact CD2-CB 3.98Å; F32-F175 AromaticContact CD2-CD2 3.52Å; F32-F175 HydrophobicContact CD2-CD2 3.52Å; F32-F175 HydrophobicContact CD2-CE2 4.26Å; F32-F175 AromaticContact CD2-CG 3.91Å; F32-F175 HydrophobicContact CD2-CG 3.91Å; F32-F175 HydrophobicContact CE1-CB 3.99Å; F32-F175 AromaticContact CE1-CD1 3.99Å; F32-F175 HydrophobicContact CE1-CD1 3.99Å; F32-F175 HydrophobicContact CE1-CD2 4.17Å; F32-F175 AromaticContact CE1-CG 3.78Å; F32-F175 HydrophobicContact CE1-CG 3.78Å; F32-F175 HydrophobicContact CE2-CB 3.55Å; F32-F175 HydrophobicContact CE2-CD2 4.02Å; F32-F175 AromaticContact CE2-CG 3.93Å; F32-F175 HydrophobicContact CE2-CG 3.93Å; F32-F175 HydrophobicContact CG-CB 4.37Å; F32-F175 AromaticContact CG-CD2 3.34Å; F32-F175 HydrophobicContact CG-CD2 3.34Å; F32-F175 AromaticContact CG-CE2 3.64Å; F32-F175 HydrophobicContact CG-CE2 3.64Å; F32-F175 AromaticContact CG-CG 3.83Å; F32-F175 HydrophobicContact CG-CG 3.83Å; F32-F175 HydrophobicContact CG-CZ 4.34Å; F32-F175 HydrophobicContact CZ-CB 3.54Å; F32-F175 HydrophobicContact CZ-CD1 4.41Å; F32-F175 HydrophobicContact CZ-CD2 4.31Å; F32-F175 AromaticContact CZ-CG 3.85Å; F32-F175 HydrophobicContact CZ-CG 3.85Å; L63-F175 HydrophobicContact CD1-CB 4.37Å; L63-F175 HydrophobicContact CD1-CD1 4.45Å; I65-F175 HydrophobicContact CD1-CD1 3.92Å; I65-F175 HydrophobicContact CD1-CE1 3.65Å; I65-F175 HydrophobicContact CD1-CZ 4.4Å; I65-F175 HydrophobicContact CG1-CE1 4.25Å; I65-F175 HydrophobicContact CG2-CE1 4.33Å; I89-F175 HydrophobicContact CD1-CD1 4.06Å; I89-F175 HydrophobicContact CD1-CE1 3.7Å; I89-F175 HydrophobicContact CD1-CZ 4.18Å; I171-F175 WeakPolarHBondContact O-CD2 3.25Å; I171-F175 PolarHBondContact O-N 3.06Å; F175-A179 WeakPolarHBondContact O-CB 3.39Å; F175-A179 PolarHBondContact O-N 3.04Å
176T96.6Very high93.8Very high26 Ų2654.3 Ų54.316%0.1626%0.255CS..Hα-helixtrans-71-38.8-179.5-56.70000111.7I56 E172 Q173 A179 R180I56-T176 HydrophobicContact CD1-CG2 4.22Å; I56-T176 HydrophobicContact CG1-CG2 4.44Å; E172-T176 WeakPolarHBondContact O-CB 3.36Å; E172-T176 PolarHBondContact O-N 3.05Å; E172-T176 PolarHBondContact O-OG1 3.28Å; Q173-T176 PolarHBondContact O-N 2.81Å; T176-A179 PolarHBondContact O-N 3.41Å; T176-R180 VanDerWaalsContact O-CB 3.32Å; T176-R180 WeakPolarHBondContact O-CB 3.35Å; T176-R180 PolarHBondContact O-N 3.28Å
177S96Very high93.6Very high35 Ų3554.2 Ų54.225%0.24527%0.27CS..Hα-helixtrans-62.4-49.5175.6-164.60000110.7Q173 A179 R180 E181Q173-S177 WeakPolarHBondContact O-CB 3.47Å; Q173-S177 PolarHBondContact O-N 2.84Å; S177-A179 PolarHBondContact O-N 3.28Å; S177-R180 PolarHBondContact O-N 3.18Å; S177-E181 PolarHBondContact O-N 3.35Å
178L96.8Very high93.3Very high8 Ų853 Ų534%0.04228%0.278CS..Hα-helixtrans-61-44.5176.9-17859.6000112.1I15 I89 V119 L121 A174 R180 E181 L182I15-L178 HydrophobicContact CD1-CD2 3.78Å; I15-L178 HydrophobicContact CD1-CG 4.16Å; I15-L178 HydrophobicContact CG1-CD2 4.36Å; I15-L178 HydrophobicContact CG2-CD2 3.81Å; I89-L178 HydrophobicContact CD1-CD2 3.79Å; I89-L178 HydrophobicContact CG1-CD2 3.52Å; V119-L178 HydrophobicContact CB-CD1 3.88Å; V119-L178 HydrophobicContact CG1-CD1 3.44Å; V119-L178 VanDerWaalsContact CG1-CD1 3.44Å; L121-L178 HydrophobicContact CB-CD1 4.44Å; L121-L178 HydrophobicContact CD2-CB 4.32Å; A174-L178 WeakPolarHBondContact O-CB 3.39Å; A174-L178 PolarHBondContact O-N 3.34Å; L178-R180 VanDerWaalsContact C-N 3.33Å; L178-R180 PolarHBondContact O-N 3.27Å; L178-E181 PolarHBondContact O-N 3.31Å; L178-L182 HydrophobicContact CD1-CD1 4.3Å; L178-L182 HydrophobicContact CG-CD1 4.09Å; L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 WeakPolarHBondContact O-CD1 3.41Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.13Å
179A96.8Very high92.3Very high1 Ų151.5 Ų51.51%0.00828%0.284CS..Hα-helixtrans-65.2-35.8178.700000112.7L54 I56 V61 L63 F175 T176 S177 K183L54-A179 HydrophobicContact CD1-CB 4.24Å; I56-A179 HydrophobicContact CD1-CB 3.44Å; I56-A179 VanDerWaalsContact CD1-CB 3.44Å; V61-A179 HydrophobicContact CG1-CB 4.24Å; L63-A179 HydrophobicContact CD1-CB 4.31Å; L63-A179 HydrophobicContact CD2-CB 4Å; F175-A179 WeakPolarHBondContact O-CB 3.39Å; F175-A179 PolarHBondContact O-N 3.04Å; T176-A179 PolarHBondContact O-N 3.41Å; S177-A179 PolarHBondContact O-N 3.28Å; A179-K183 WeakPolarHBondContact O-CB 3.4Å; A179-K183 PolarHBondContact O-N 2.85Å
180R96.2Very high90.6Very high90 Ų9051.5 Ų51.534%0.3429%0.286SS..Hα-helixtrans-66.3-49.5174.8-177.6178.9-64.4104.1-0.5111.3I56 T176 S177 L178 L182 K183 E184I56-R180 HydrophobicContact CG2-CB 4.22Å; I56-R180 HydrophobicContact CG2-CG 4.36Å; T176-R180 VanDerWaalsContact O-CB 3.32Å; T176-R180 WeakPolarHBondContact O-CB 3.35Å; T176-R180 PolarHBondContact O-N 3.28Å; S177-R180 PolarHBondContact O-N 3.18Å; L178-R180 VanDerWaalsContact C-N 3.33Å; L178-R180 PolarHBondContact O-N 3.27Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 3.33Å; R180-K183 WeakPolarHBondContact O-CB 3.27Å; R180-K183 PolarHBondContact O-N 2.87Å; R180-K183 VanDerWaalsContact O-N 3.09Å; R180-E184 VanDerWaalsContact CG-OE1 3.26Å; R180-E184 WeakPolarHBondContact CG-OE1 3.4Å; R180-E184 WeakPolarHBondContact O-CG 3.36Å; R180-E184 PolarHBondContact O-N 3.11Å
181E95Very high88.6Confident55 Ų5554 Ų5426%0.25731%0.305SS..Hα-helixtrans-56.6-44.8177.117762.8-167.500111.3V119 S177 L178 K183 E184 R185V119-E181 HydrophobicContact CG1-CB 4.39Å; V119-E181 HydrophobicContact CG1-CG 3.66Å; V119-E181 HydrophobicContact CG2-CG 4.19Å; S177-E181 PolarHBondContact O-N 3.35Å; L178-E181 PolarHBondContact O-N 3.31Å; E181-K183 PolarHBondContact O-N 3.42Å; E181-E184 PolarHBondContact O-N 3.04Å; E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 3.23Å; E181-R185 IonicContact OE1-CZ 3.31Å; E181-R185 IonicContact OE1-NE 2.68Å; E181-R185 PolarHBondContact OE1-NE 3.19Å; E181-R185 IonicContact OE1-NH2 3.51Å; E181-R185 PolarHBondContact OE1-NH2 3.2Å
182L95.4Very high86.6Confident2 Ų254.8 Ų54.81%0.0131%0.31CS..Hα-helixtrans-61.4-42.3176-73.8168000112.9F13 I15 N86 V119 L178 R180 E184 R185 Y186F13-L182 HydrophobicContact CB-CD1 3.99Å; F13-L182 HydrophobicContact CD1-CB 4.18Å; F13-L182 HydrophobicContact CD1-CD1 4.49Å; F13-L182 HydrophobicContact CD2-CB 3.73Å; F13-L182 HydrophobicContact CD2-CD1 4.09Å; F13-L182 HydrophobicContact CE1-CB 4.05Å; F13-L182 HydrophobicContact CE2-CB 3.57Å; F13-L182 HydrophobicContact CG-CB 4.05Å; F13-L182 HydrophobicContact CG-CD1 3.95Å; F13-L182 HydrophobicContact CZ-CB 3.75Å; I15-L182 HydrophobicContact CD1-CD1 3.46Å; I15-L182 VanDerWaalsContact CD1-CD1 3.46Å; N86-L182 HydrophobicContact CB-CD1 4.46Å; N86-L182 HydrophobicContact CB-CD2 3.89Å; N86-L182 VanDerWaalsContact O-CD2 3.24Å; N86-L182 WeakPolarHBondContact O-CD2 3.1Å; V119-L182 HydrophobicContact CB-CD2 3.87Å; V119-L182 HydrophobicContact CB-CG 4.3Å; V119-L182 HydrophobicContact CG2-CD2 3.37Å; V119-L182 HydrophobicContact CG2-CG 4.02Å; L178-L182 HydrophobicContact CD1-CD1 4.3Å; L178-L182 HydrophobicContact CG-CD1 4.09Å; L178-L182 WeakPolarHBondContact O-CB 3.45Å; L178-L182 WeakPolarHBondContact O-CD1 3.41Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.13Å; R180-L182 VanDerWaalsContact C-N 3.3Å; R180-L182 PolarHBondContact O-N 3.33Å; L182-E184 VanDerWaalsContact C-N 3.34Å; L182-R185 PolarHBondContact O-N 2.83Å; L182-Y186 WeakPolarHBondContact O-CB 3.16Å; L182-Y186 PolarHBondContact O-N 3.49Å
183K94.5Very high84.5Confident25 Ų2556.5 Ų56.511%0.10932%0.318CS..Hα-helixtrans-61.4-44176.5-163.9-163.185-177.40111.4F11 F13 D57 A179 R180 E181 Y186 A187F11-K183 HydrophobicContact CD1-CG 4.36Å; F11-K183 HydrophobicContact CD2-CD 4.29Å; F11-K183 HydrophobicContact CD2-CG 3.84Å; F11-K183 HydrophobicContact CE1-CG 4.11Å; F11-K183 HydrophobicContact CE2-CD 3.92Å; F11-K183 HydrophobicContact CE2-CG 3.57Å; F11-K183 HydrophobicContact CG-CG 4.24Å; F11-K183 HydrophobicContact CZ-CD 4.41Å; F11-K183 HydrophobicContact CZ-CG 3.72Å; F13-K183 HydrophobicContact CE2-CB 4.35Å; D57-K183 IonicContact OD2-NZ 3.76Å; D57-K183 PolarHBondContact OD2-NZ 2.84Å; A179-K183 WeakPolarHBondContact O-CB 3.4Å; A179-K183 PolarHBondContact O-N 2.85Å; R180-K183 WeakPolarHBondContact O-CB 3.27Å; R180-K183 PolarHBondContact O-N 2.87Å; R180-K183 VanDerWaalsContact O-N 3.09Å; E181-K183 PolarHBondContact O-N 3.42Å; K183-Y186 PolarHBondContact O-N 3.48Å; K183-A187 WeakPolarHBondContact O-CB 3.26Å; K183-A187 PolarHBondContact O-N 2.68Å
184E92.8Very high81.9Confident97 Ų9758.1 Ų58.145%0.45333%0.329SS..Hα-helixtrans-66-44179.8-71.8173.3-168.200111.4R180 E181 L182 Y186 A187 A188R180-E184 VanDerWaalsContact CG-OE1 3.26Å; R180-E184 WeakPolarHBondContact CG-OE1 3.4Å; R180-E184 WeakPolarHBondContact O-CG 3.36Å; R180-E184 PolarHBondContact O-N 3.11Å; E181-E184 PolarHBondContact O-N 3.04Å; L182-E184 VanDerWaalsContact C-N 3.34Å; E184-Y186 PolarHBondContact O-N 3.09Å; E184-A187 PolarHBondContact O-N 3.41Å; E184-A188 WeakPolarHBondContact O-CB 3.47Å; E184-A188 PolarHBondContact O-N 3.43Å
185R91.2Very high79.5Confident88 Ų8865.4 Ų65.433%0.33236%0.358SS..Hα-helixtrans-62.3-40.6174.7-70.5-171.1-172-160.31.7113E181 L182 A188 S190E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 3.23Å; E181-R185 IonicContact OE1-CZ 3.31Å; E181-R185 IonicContact OE1-NE 2.68Å; E181-R185 PolarHBondContact OE1-NE 3.19Å; E181-R185 IonicContact OE1-NH2 3.51Å; E181-R185 PolarHBondContact OE1-NH2 3.2Å; L182-R185 PolarHBondContact O-N 2.83Å; R185-A188 PolarHBondContact O-N 3.48Å; R185-S190 VanDerWaalsContact O-CB 3.29Å; R185-S190 WeakPolarHBondContact O-CB 3.07Å; R185-S190 PolarHBondContact O-N 2.91Å; R185-S190 VanDerWaalsContact O-N 3.17Å; R185-S190 PolarHBondContact O-OG 3Å
186Y87.4Confident76.7Confident92 Ų9268.9 Ų68.936%0.36139%0.387SS..Hα-helixtrans-64.1-44.5175.5-170-84.5000111F11 L182 K183 E184 A188 G189 L192F11-Y186 AromaticContact CD1-CD1 3.97Å; F11-Y186 HydrophobicContact CD1-CD1 3.97Å; F11-Y186 HydrophobicContact CD1-CE1 4.39Å; F11-Y186 HydrophobicContact CD1-CG 4.27Å; F11-Y186 AromaticContact CE1-CD1 3.52Å; F11-Y186 HydrophobicContact CE1-CD1 3.52Å; F11-Y186 HydrophobicContact CE1-CE1 4.06Å; F11-Y186 HydrophobicContact CE1-CG 4.16Å; L182-Y186 WeakPolarHBondContact O-CB 3.16Å; L182-Y186 PolarHBondContact O-N 3.49Å; K183-Y186 PolarHBondContact O-N 3.48Å; E184-Y186 PolarHBondContact O-N 3.09Å; Y186-A188 VanDerWaalsContact C-N 3.29Å; Y186-A188 PolarHBondContact O-N 3.08Å; Y186-G189 PolarHBondContact O-N 3.39Å; Y186-G189 VanDerWaalsContact O-N 3.11Å; Y186-L192 HydrophobicContact CD2-CB 4.09Å; Y186-L192 HydrophobicContact CD2-CD1 4.11Å; Y186-L192 HydrophobicContact CD2-CG 4.39Å; Y186-L192 HydrophobicContact CE2-CB 4.43Å
187A83Confident74.1Confident79 Ų7971.5 Ų71.565%0.65340%0.404SS*.Hα-helixtrans-64.8-31.1177.600000113.2K183 E184 G189K183-A187 WeakPolarHBondContact O-CB 3.26Å; K183-A187 PolarHBondContact O-N 2.68Å; E184-A187 PolarHBondContact O-N 3.41Å; A187-G189 PolarHBondContact O-N 3.35Å
188A82.8Confident71.5Confident85 Ų8576.2 Ų76.270%0.70243%0.427SS*.THydrogen-bonded Turntrans-74.92.317500000114.1E184 R185 Y186E184-A188 WeakPolarHBondContact O-CB 3.47Å; E184-A188 PolarHBondContact O-N 3.43Å; R185-A188 PolarHBondContact O-N 3.48Å; Y186-A188 VanDerWaalsContact C-N 3.29Å; Y186-A188 PolarHBondContact O-N 3.08Å
189G69.3Low68.9Low58 Ų5884.5 Ų84.560%0.59846%0.458SS*.THydrogen-bonded Turntrans83.218.3176.400000114.5Y186 A187 P191Y186-G189 PolarHBondContact O-N 3.39Å; Y186-G189 VanDerWaalsContact O-N 3.11Å; A187-G189 PolarHBondContact O-N 3.35Å; G189-P191 VanDerWaalsContact O-CD 3.27Å; G189-P191 WeakPolarHBondContact O-CD 3.37Å
190S58.9Low66Low45 Ų4589.9 Ų89.932%0.31549%0.49SS..  trans-67.6117.5165.6-64.40000108.1R185 L192R185-S190 VanDerWaalsContact O-CB 3.29Å; R185-S190 WeakPolarHBondContact O-CB 3.07Å; R185-S190 PolarHBondContact O-N 2.91Å; R185-S190 VanDerWaalsContact O-N 3.17Å; R185-S190 PolarHBondContact O-OG 3Å; S190-L192 PolarHBondContact O-N 3.45Å
191P50.5Low63.3Low110 Ų11094.5 Ų94.571%0.71451%0.509SS*.  trans-67.399.2177.1-9.724.8000108.2N117 G189N117-P191 PolarHBondContact ND2-O 3.42Å; G189-P191 VanDerWaalsContact O-CD 3.27Å; G189-P191 WeakPolarHBondContact O-CD 3.37Å
192L53.4Low60.6Low19 Ų1998.9 Ų98.910%0.09953%0.533CS..  trans-82.7106.5154.9-65.7175.3000103.8F13 N86 Y186 S190 D194F13-L192 HydrophobicContact CD1-CD1 4.21Å; F13-L192 HydrophobicContact CE1-CD1 3.78Å; N86-L192 HydrophobicContact CB-CD1 4.25Å; N86-L192 HydrophobicContact CB-CD2 4.48Å; Y186-L192 HydrophobicContact CD2-CB 4.09Å; Y186-L192 HydrophobicContact CD2-CD1 4.11Å; Y186-L192 HydrophobicContact CD2-CG 4.39Å; Y186-L192 HydrophobicContact CE2-CB 4.43Å; S190-L192 PolarHBondContact O-N 3.45Å; L192-D194 PolarHBondContact O-N 2.8Å; L192-D194 VanDerWaalsContact O-N 3.12Å
193E49.4Very low58.2Low164 Ų164102.4 Ų102.477%0.76656%0.558SS**  trans-37.7119.6-174.8-68.6-179.615900111Y195E193-Y195 VanDerWaalsContact C-N 3.35Å; E193-Y195 PolarHBondContact O-N 3.12Å
194D40.6Very low56.2Low140 Ų140107.4 Ų107.475%0.74960%0.596SS**  trans-55.195.3179.1-85.9-35.2000109.8L192 A196L192-D194 PolarHBondContact O-N 2.8Å; L192-D194 VanDerWaalsContact O-N 3.12Å; D194-A196 PolarHBondContact O-N 3.34Å
195Y45.9Very low53.7Low154 Ų154113.4 Ų113.460%0.60461%0.614SS**  trans-90.689.8166.6-122.1-89.8000107.7E193E193-Y195 VanDerWaalsContact C-N 3.35Å; E193-Y195 PolarHBondContact O-N 3.12Å
196A39.1Very low51.9Low73 Ų73114.8 Ų114.860%0.60363%0.633SS**  trans-48.8137.1155.900000108.1D194 D198D194-A196 PolarHBondContact O-N 3.34Å; A196-D198 PolarHBondContact O-N 3.01Å
197P41.3Very low50.1Low81 Ų81116.5 Ų116.553%0.52665%0.653SS.*  trans-62.8120.117426.9-30.3000106.4R199P197-R199 HydrophobicContact CB-CG 4.46Å; P197-R199 HydrophobicContact CG-CG 4.41Å; P197-R199 PolarHBondContact O-N 2.86Å
198D41.8Very low48.6Very low135 Ų135118.1 Ų118.172%0.72266%0.657SS**  trans-57.982.6154.5-88.6-29.8000106.6A196 V200A196-D198 PolarHBondContact O-N 3.01Å; D198-V200 PolarHBondContact O-N 2.66Å
199R40.6Very low47.2Very low182 Ų182120.7 Ų120.769%0.68766%0.664SS**  trans-66.386.9159.6-78.2-170.5176.9-164.61.5104.8P197 Y201P197-R199 HydrophobicContact CB-CG 4.46Å; P197-R199 HydrophobicContact CG-CG 4.41Å; P197-R199 PolarHBondContact O-N 2.86Å; R199-Y201 HydrophobicContact CB-CD2 4.35Å; R199-Y201 HydrophobicContact CB-CE2 4.25Å; R199-Y201 PolarHBondContact O-N 3.4Å
200V37.3Very low46.1Very low114 Ų114129 Ų12969%0.69168%0.677SS**  trans-63.893.9161.7-178.80000106D198 L202D198-V200 PolarHBondContact O-N 2.66Å; V200-L202 VanDerWaalsContact C-N 3.32Å; V200-L202 HydrophobicContact CG1-CD2 4.38Å; V200-L202 PolarHBondContact O-N 3.04Å
201Y38.2Very low45.3Very low187 Ų187130.9 Ų130.973%0.73370%0.695SS**  trans-65102.3159.8-81-87.7000106R199 S203R199-Y201 HydrophobicContact CB-CD2 4.35Å; R199-Y201 HydrophobicContact CB-CE2 4.25Å; R199-Y201 PolarHBondContact O-N 3.4Å; Y201-S203 PolarHBondContact O-N 2.9Å
202L39.8Very low45Very low147 Ų147136.3 Ų136.377%0.7770%0.701SS**  trans-61.590.8162-72.6171.2000106.6V200 S204V200-L202 VanDerWaalsContact C-N 3.32Å; V200-L202 HydrophobicContact CG1-CD2 4.38Å; V200-L202 PolarHBondContact O-N 3.04Å; L202-S204 PolarHBondContact O-N 2.86Å
203S44.9Very low44.4Very low76 Ų76143.4 Ų143.453%0.53174%0.738SS.*  trans-56.9137.1166.574.60000106.8Y201 R205Y201-S203 PolarHBondContact O-N 2.9Å; S203-R205 PolarHBondContact O-N 3.34Å
204S53Low44.4Very low129 Ų129142.5 Ų142.590%0.90274%0.738SS**SBendtrans-67.226.3178.647.40000113.5L202L202-S204 PolarHBondContact O-N 2.86Å
205R40.3Very low44.4Very low224 Ų224140.8 Ų140.885%0.84573%0.734SS**  trans-119.753176.8-61.5-173.1-174.2-168.52.8110.2S203S203-R205 PolarHBondContact O-N 3.34Å
206T52.7Low44.2Very low116 Ų116140.1 Ų140.171%0.71275%0.751SS**  trans-84.9113.3162.439.70000108.6
207T49.9Very low44.9Very low128 Ų128141.4 Ų141.479%0.78575%0.754SS**  trans-78134.5165.427.60000108.7V209T207-V209 PolarHBondContact O-N 2.78Å
208P50.6Low45.2Very low114 Ų114150.9 Ų150.974%0.7479%0.788SS**  trans-57134.6172.1-16.727.7000108.9R210P208-R210 PolarHBondContact O-N 2.74Å
209V53.7Low45.4Very low139 Ų139151.7 Ų151.784%0.84279%0.791SS**  trans-59.4107.5164.8178.40000105.6T207 A211T207-V209 PolarHBondContact O-N 2.78Å; V209-A211 PolarHBondContact O-N 3.34Å
210R45.4Very low45.6Very low233 Ų233150.1 Ų150.188%0.87980%0.797SS**  trans-54.5110.3171.2-88.2-177.9172.9171.3-2.3106.2P208 R212P208-R210 PolarHBondContact O-N 2.74Å; R210-R212 PolarHBondContact O-N 2.89Å
211A42.6Very low46.1Very low84 Ų84152.1 Ų152.169%0.69480%0.802SS**  trans-56.497.1164.500000106.5V209 L213V209-A211 PolarHBondContact O-N 3.34Å; A211-L213 PolarHBondContact O-N 2.78Å
212R44Very low46.5Very low224 Ų224150.1 Ų150.185%0.84581%0.807SS**  trans-65.994.6157-84.3-171.8176.6-165.9-0104.2R210 L214R210-R212 PolarHBondContact O-N 2.89Å; R212-L214 PolarHBondContact O-N 2.89Å
213L41.6Very low47Very low168 Ų168150.3 Ų150.388%0.8881%0.809SS**  trans-51.785.2156.5-76.1146.6000106.7A211A211-L213 PolarHBondContact O-N 2.78Å
214L49.3Very low47.1Very low145 Ų145155.2 Ų155.276%0.75983%0.827SS**  trans-90119.3159.2-81.9164.1000105.4R212 C216R212-L214 PolarHBondContact O-N 2.89Å; L214-C216 PolarHBondContact O-N 3.15Å
215P40.9Very low46.7Very low103 Ų103157.1 Ų157.167%0.66982%0.822SS**  trans-70.5122.5175.928.7-29.2000107.8C217P215-C217 PolarHBondContact O-N 2.79Å; P215-C217 VanDerWaalsContact O-N 3.15Å
216C42Very low47.2Very low140 Ų140151.9 Ų151.995%0.94682%0.82SS**  trans-70.2103.5159.7-72.80000107.1L214L214-C216 PolarHBondContact O-N 3.15Å
217C52.8Low46.7Very low101 Ų101154.9 Ų154.968%0.68283%0.829SS**  trans-87.9126.5168.2-69.80000109.5P215P215-C217 PolarHBondContact O-N 2.79Å; P215-C217 VanDerWaalsContact O-N 3.15Å
218F47.6Very low46.4Very low280 Ų280157.4 Ų157.4100%1.22883%0.833SS**  trans57.90165.5-68.7-82.6000119.7

Retrieved 218 of 218 residues in 158.3 ms (Link to these results)

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