A0A077Z016_TRITR Loading...

Ras-related protein Rab-43

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. Involved in retrograde transport from the endocytic pathway to the Golgi apparatus. Required for the structural integrity of the Golgi complex. Also controls the anterograde ER-to-Golgi transport of nascent G protein-coupled receptors (including ADRA2A, ADRA2B, ADRA2C, ADRA1B, ADRB2 and AGTR1) and regulates the ER sorting of GPCR members by virtue of its ability to interact directly. Involved in the transport of Shiga toxin from early and recycling endosomes to the trans-Golgi network. Plays a role in the maturation of phagosomes that engulf pathogens, such as S.aureus and M.tuberculosis.

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

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
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 44.4 ms (Link to these results)

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