A0A061IQ45_CRIGR Loading...

Synaptobrevin homolog YKT6

Vesicular soluble NSF attachment protein receptor (v-SNARE) mediating vesicle docking and fusion to a specific acceptor cellular compartment. Functions in endoplasmic reticulum to Golgi transport; as part of a SNARE complex composed of GOSR1, GOSR2 and STX5. Functions in early/recycling endosome to TGN transport; as part of a SNARE complex composed of BET1L, GOSR1 and STX5. Has a S-palmitoyl transferase activity.

AlphaFold DB , UniProt , Accession A0A061IQ45, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ykt6, Length 198 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M86.3Confident96.5Very high110 Ų11020.7 Ų20.754%0.5429%0.094SC..  091.80-64.8-173.582.300111.3D82 E84 P86 P133M1-D82 VanDerWaalsContact C-OD2 3.28Å; M1-D82 VanDerWaalsContact CA-OD2 3.26Å; M1-D82 WeakPolarHBondContact CA-OD2 3.47Å; M1-D82 PolarHBondContact N-OD2 3.28Å; M1-E84 WeakPolarHBondContact CE-O 3.43Å; M1-E84 HydrophobicContact CG-CB 3.68Å; M1-E84 PolarHBondContact N-OE2 2.95Å; M1-P86 VanDerWaalsContact CE-CD 3.5Å; M1-P86 HydrophobicContact CE-CG 3.82Å; M1-P133 HydrophobicContact CE-CG 4.03Å
2K93.3Very high96.1Very high31 Ų3122.7 Ų22.714%0.13511%0.112CC..  trans-145.8149.2179.8-175.5167-179.7176.20110.9Y4 D24 S26 S27 A81 D82K2-Y4 HydrophobicContact CB-CE1 4.47Å; K2-Y4 HydrophobicContact CD-CD1 4.29Å; K2-Y4 HydrophobicContact CD-CE1 3.89Å; K2-Y4 HydrophobicContact CG-CD1 4.38Å; K2-Y4 HydrophobicContact CG-CE1 4.18Å; K2-D24 WeakPolarHBondContact CE-OD1 3.39Å; K2-D24 WeakPolarHBondContact CE-OD2 3.49Å; K2-D24 IonicContact NZ-OD1 2.93Å; K2-D24 PolarHBondContact NZ-OD1 3.05Å; K2-D24 IonicContact NZ-OD2 3.44Å; K2-D24 PolarHBondContact NZ-OD2 3.49Å; K2-S26 PolarHBondContact NZ-OG 3.32Å; K2-S27 PolarHBondContact NZ-OG 3.2Å; K2-S27 VanDerWaalsContact NZ-OG 3.1Å; K2-A81 VanDerWaalsContact O-CA 3.28Å; K2-A81 WeakPolarHBondContact O-CA 3.42Å; K2-A81 WeakPolarHBondContact O-CB 3.42Å; K2-D82 PolarHBondContact N-OD2 2.89Å; K2-D82 PolarHBondContact O-N 2.84Å
3L96.7Very high95.3Very high0 Ų032.5 Ų32.50%016%0.157CC..EExtended strand (participates in β ladder)trans-95.9132.4164.2-59.7-179.5000109.5V79 A81 Y85 L93 L127 Q131L3-V79 HydrophobicContact CD2-CG2 3.76Å; L3-A81 HydrophobicContact CD2-CB 3.55Å; L3-Y85 HydrophobicContact CD1-CE2 4.15Å; L3-Y85 HydrophobicContact CD2-CD1 3.8Å; L3-Y85 HydrophobicContact CD2-CD2 3.75Å; L3-Y85 HydrophobicContact CD2-CE1 3.69Å; L3-Y85 HydrophobicContact CD2-CE2 3.62Å; L3-Y85 HydrophobicContact CD2-CG 3.84Å; L3-Y85 HydrophobicContact CG-CD2 4.1Å; L3-Y85 HydrophobicContact CG-CE1 4.47Å; L3-Y85 HydrophobicContact CG-CE2 3.66Å; L3-L93 HydrophobicContact CD1-CD2 3.82Å; L3-L127 HydrophobicContact CB-CD1 3.51Å; L3-L127 HydrophobicContact CD1-CD1 4.1Å; L3-L127 HydrophobicContact CG-CD1 4.46Å; L3-Q131 PolarHBondContact O-NE2 3.4Å
4Y97.8Very high94.5Very high20 Ų2038.6 Ų38.68%0.07820%0.201CC..EExtended strand (participates in β ladder)trans-105-37.7-177.3-63.4-69.6000113.1K2 Y23 D24 F28 M40 Y64 I80 D82K2-Y4 HydrophobicContact CB-CE1 4.47Å; K2-Y4 HydrophobicContact CD-CD1 4.29Å; K2-Y4 HydrophobicContact CD-CE1 3.89Å; K2-Y4 HydrophobicContact CG-CD1 4.38Å; K2-Y4 HydrophobicContact CG-CE1 4.18Å; Y4-Y23 CarbonylContact O-C 3.6Å; Y4-Y23 WeakPolarHBondContact O-CA 3.35Å; Y4-D24 PolarHBondContact O-N 3.48Å; Y4-F28 AromaticContact CD1-CE2 3.57Å; Y4-F28 HydrophobicContact CD1-CE2 3.57Å; Y4-F28 HydrophobicContact CD1-CZ 4.03Å; Y4-F28 AromaticContact CE1-CE2 3.65Å; Y4-F28 HydrophobicContact CE1-CE2 3.65Å; Y4-F28 AromaticContact CE1-CZ 3.82Å; Y4-F28 HydrophobicContact CE1-CZ 3.82Å; Y4-F28 HydrophobicContact CG-CE2 4.46Å; Y4-M40 VanDerWaalsContact CB-SD 3.53Å; Y4-Y64 AromaticContact CD2-CD1 3.9Å; Y4-Y64 HydrophobicContact CD2-CD1 3.9Å; Y4-Y64 HydrophobicContact CD2-CE1 4.07Å; Y4-Y64 AromaticContact CE2-CD1 3.52Å; Y4-Y64 HydrophobicContact CE2-CD1 3.52Å; Y4-Y64 AromaticContact CE2-CE1 3.47Å; Y4-Y64 HydrophobicContact CE2-CE1 3.47Å; Y4-Y64 VanDerWaalsContact CE2-CE1 3.47Å; Y4-Y64 AromaticContact CZ-CE1 3.74Å; Y4-I80 HydrophobicContact CD2-CG2 4.46Å; Y4-I80 PolarHBondContact N-O 2.96Å; Y4-D82 VanDerWaalsContact CE2-OD1 3.31Å; Y4-D82 WeakPolarHBondContact CE2-OD1 3.24Å; Y4-D82 PolarHBondContact OH-OD1 2.95Å
5S98.2Very high94.3Very high0 Ų044.3 Ų44.30%022%0.223CC..EExtended strand (participates in β ladder)trans-145.2152174.872.10000111.4A22 V79 I80S5-A22 WeakPolarHBondContact CA-O 3.31Å; S5-V79 VanDerWaalsContact O-CA 3.31Å; S5-V79 WeakPolarHBondContact O-CA 3.47Å; S5-V79 WeakPolarHBondContact O-CG2 3.47Å; S5-I80 PolarHBondContact N-O 3.41Å; S5-I80 PolarHBondContact O-N 2.93Å; S5-I80 WeakPolarHBondContact OG-CB 3.23Å; S5-I80 WeakPolarHBondContact OG-CD1 3.38Å; S5-I80 VanDerWaalsContact OG-CG1 3.28Å; S5-I80 WeakPolarHBondContact OG-CG1 3.25Å
6L98.5Very high94.4Very high0 Ų041.9 Ų41.90%021%0.212CC..EExtended strand (participates in β ladder)trans-137124.8168.8174.766.4000107.1A21 A22 V78 V79 L93 L94 V97 L123 H126 L127L6-A21 CarbonylContact O-C 3.32Å; L6-A21 WeakPolarHBondContact O-CA 3.26Å; L6-A22 PolarHBondContact N-O 3.05Å; L6-A22 PolarHBondContact O-N 3.31Å; L6-V78 WeakPolarHBondContact CA-O 3.21Å; L6-V79 HydrophobicContact CD1-CB 4.13Å; L6-V79 HydrophobicContact CD1-CG2 4.5Å; L6-L93 HydrophobicContact CD1-CD2 4.17Å; L6-L93 HydrophobicContact CD1-CG 4.21Å; L6-L93 HydrophobicContact CD2-CD1 4.15Å; L6-L93 HydrophobicContact CD2-CD2 4.28Å; L6-L93 HydrophobicContact CD2-CG 4.39Å; L6-L94 HydrophobicContact CD1-CD2 3.95Å; L6-V97 HydrophobicContact CD2-CG2 4.02Å; L6-L123 HydrophobicContact CD2-CD1 3.61Å; L6-L123 HydrophobicContact CD2-CG 3.98Å; L6-L123 HydrophobicContact CG-CD1 3.75Å; L6-L123 HydrophobicContact CG-CG 4.1Å; L6-L123 WeakPolarHBondContact O-CD2 3.19Å; L6-H126 HydrophobicContact CD2-CB 4.13Å; L6-L127 HydrophobicContact CB-CB 4.37Å; L6-L127 HydrophobicContact CB-CD1 4.05Å; L6-L127 HydrophobicContact CD2-CB 4.38Å
7S98.5Very high94.5Very high1 Ų141.5 Ų41.51%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-139.8145.8-174.657.10000112L9 K20 G77 V78S7-L9 WeakPolarHBondContact OG-CD1 3.43Å; S7-K20 WeakPolarHBondContact CA-O 3.31Å; S7-G77 WeakPolarHBondContact O-CA 3.34Å; S7-V78 PolarHBondContact N-O 2.94Å; S7-V78 PolarHBondContact O-N 3.47Å; S7-V78 PolarHBondContact OG-O 3.42Å
8V98.6Very high94.6Very high1 Ų140.7 Ų40.71%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-113.3126.9173.1-176.40000107.7L19 K20 L75 A76 V97 L98 F101 L123V8-L19 HydrophobicContact CG1-CD1 4.27Å; V8-L19 WeakPolarHBondContact O-CB 3.19Å; V8-L19 PolarHBondContact O-N 2.94Å; V8-K20 PolarHBondContact N-O 3.44Å; V8-K20 PolarHBondContact O-N 3.14Å; V8-L75 HydrophobicContact CG1-CD1 3.86Å; V8-L75 HydrophobicContact CG1-CG 4.39Å; V8-A76 CarbonylContact C-O 3.6Å; V8-A76 WeakPolarHBondContact CA-O 3.41Å; V8-V97 HydrophobicContact CG2-CG1 3.67Å; V8-L98 HydrophobicContact CG1-CD2 4.08Å; V8-F101 HydrophobicContact CB-CD2 4.46Å; V8-F101 HydrophobicContact CG1-CD1 3.96Å; V8-F101 HydrophobicContact CG1-CD2 4.14Å; V8-F101 HydrophobicContact CG1-CE1 4.05Å; V8-F101 HydrophobicContact CG1-CE2 4.22Å; V8-F101 HydrophobicContact CG1-CG 4.01Å; V8-F101 HydrophobicContact CG1-CZ 4.18Å; V8-F101 HydrophobicContact CG2-CD2 4.39Å; V8-L123 HydrophobicContact CG2-CD1 4.04Å
9L98.5Very high94.8Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-128.9156-177.3-58.895.5000109.9S7 A16 V17 L18 Q45 V48 A76 V78S7-L9 WeakPolarHBondContact OG-CD1 3.43Å; L9-A16 HydrophobicContact CD2-CB 4.15Å; L9-V17 CarbonylContact C-O 3.43Å; L9-V17 WeakPolarHBondContact CA-O 3.44Å; L9-V17 WeakPolarHBondContact CB-O 3.37Å; L9-L18 HydrophobicContact CD2-CD1 4.23Å; L9-L18 HydrophobicContact CG-CD1 4.02Å; L9-Q45 HydrophobicContact CD2-CB 4.31Å; L9-Q45 HydrophobicContact CD2-CG 3.5Å; L9-V48 HydrophobicContact CB-CG2 4.42Å; L9-V48 HydrophobicContact CD1-CG2 4.18Å; L9-V48 HydrophobicContact CD2-CG2 4.45Å; L9-A76 HydrophobicContact CB-CB 4.42Å; L9-A76 PolarHBondContact N-O 3.38Å; L9-A76 PolarHBondContact O-N 3Å; L9-V78 HydrophobicContact CD1-CB 4.4Å; L9-V78 HydrophobicContact CD1-CG2 4.01Å
10Y98.3Very high95Very high44 Ų4439 Ų3917%0.17320%0.198CC..EExtended strand (participates in β ladder)trans-106.6121.8166.7177.2-104.6000109.5S12 A16 V17 W110 P111Y10-S12 PolarHBondContact O-N 2.86Å; Y10-S12 VanDerWaalsContact O-N 3.07Å; Y10-A16 WeakPolarHBondContact O-CA 3.29Å; Y10-V17 PolarHBondContact N-O 3.07Å; Y10-V17 PolarHBondContact O-N 2.79Å; Y10-W110 HydrophobicContact CD2-CB 3.63Å; Y10-W110 AromaticContact CD2-CE3 3.98Å; Y10-W110 HydrophobicContact CD2-CE3 3.98Å; Y10-W110 HydrophobicContact CD2-CG 4.47Å; Y10-W110 HydrophobicContact CE2-CB 4.22Å; Y10-W110 HydrophobicContact CE2-CE3 4.17Å; Y10-W110 HydrophobicContact CG-CB 3.86Å; Y10-P111 HydrophobicContact CD1-CB 4.35Å; Y10-P111 HydrophobicContact CD1-CG 4.48Å; Y10-P111 HydrophobicContact CE1-CB 3.87Å; Y10-P111 HydrophobicContact CE1-CG 3.85Å
11K97.3Very high95.1Very high21 Ų2138.2 Ų38.29%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-78.390.2176.2-173.3-175.7173.482.70109.5V48 E49 S51 K53 V70 S74K11-V48 HydrophobicContact CB-CG1 3.78Å; K11-V48 HydrophobicContact CG-CG1 4.06Å; K11-V48 PolarHBondContact NZ-O 3.31Å; K11-E49 PolarHBondContact NZ-O 3.19Å; K11-S51 WeakPolarHBondContact CE-O 3.39Å; K11-S51 PolarHBondContact NZ-O 2.82Å; K11-K53 HydrophobicContact CD-CG 4.07Å; K11-V70 HydrophobicContact CB-CG1 4.37Å; K11-V70 HydrophobicContact CD-CG1 3.83Å; K11-S74 PolarHBondContact N-O 3.15Å; K11-S74 WeakPolarHBondContact O-CB 3.46Å
12S91.4Very high95.7Very high44 Ų4433 Ų3331%0.30817%0.172SC..  trans-85.9157.4164.4-165.40000110.2Y10 P14 K15Y10-S12 PolarHBondContact O-N 2.86Å; Y10-S12 VanDerWaalsContact O-N 3.07Å; S12-P14 CarbonylContact O-C 3.47Å; S12-K15 CarbonylContact C-O 3.39Å; S12-K15 WeakPolarHBondContact CA-O 3.48Å; S12-K15 WeakPolarHBondContact CB-O 3.5Å; S12-K15 PolarHBondContact N-O 2.85Å; S12-K15 CarbonylContact O-C 3.59Å; S12-K15 PolarHBondContact O-N 2.85Å
13E85.6Confident95.9Very high151 Ų15134 Ų3471%0.70618%0.175SC*.SBendtrans-100.8119.8170.3-72.1176.7-15400107.6
14P84.9Confident95.9Very high118 Ų11835.9 Ų35.977%0.76619%0.185SC*.SBendcis-98.8-41136.7-34.4000116.2S12S12-P14 CarbonylContact O-C 3.47Å
15K90.4Very high95.8Very high124 Ų12435.7 Ų35.754%0.53919%0.186SC..  trans-115.2145.9-171.3-71.1-173176-174.90113.1S12 E49 E175S12-K15 CarbonylContact C-O 3.39Å; S12-K15 WeakPolarHBondContact CA-O 3.48Å; S12-K15 WeakPolarHBondContact CB-O 3.5Å; S12-K15 PolarHBondContact N-O 2.85Å; S12-K15 CarbonylContact O-C 3.59Å; S12-K15 PolarHBondContact O-N 2.85Å; K15-E49 WeakPolarHBondContact CA-OE1 3.19Å; K15-E175 IonicContact NZ-OE2 3.82Å
16A95.5Very high95.6Very high5 Ų539 Ų394%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-82.7127.8169.600000111.5L9 Y10 Q45 V48 E49L9-A16 HydrophobicContact CD2-CB 4.15Å; Y10-A16 WeakPolarHBondContact O-CA 3.29Å; A16-Q45 HydrophobicContact CB-CB 4.29Å; A16-Q45 HydrophobicContact CB-CG 4.28Å; A16-Q45 PolarHBondContact O-NE2 2.92Å; A16-V48 HydrophobicContact CB-CB 4.07Å; A16-V48 HydrophobicContact CB-CG1 3.88Å; A16-E49 HydrophobicContact CB-CG 3.82Å; A16-E49 PolarHBondContact N-OE1 2.99Å
17V96.6Very high95.3Very high35 Ų3542.3 Ų42.321%0.21223%0.232CC..EExtended strand (participates in β ladder)trans-92.2122.6177.3-178.60000108.9L9 Y10 L19 G113L9-V17 CarbonylContact C-O 3.43Å; L9-V17 WeakPolarHBondContact CA-O 3.44Å; L9-V17 WeakPolarHBondContact CB-O 3.37Å; Y10-V17 PolarHBondContact N-O 3.07Å; Y10-V17 PolarHBondContact O-N 2.79Å; V17-L19 HydrophobicContact CG1-CD2 4.23Å; V17-L19 PolarHBondContact O-N 3.24Å; V17-G113 WeakPolarHBondContact CG1-O 3.49Å
18L97.5Very high95Very high27 Ų2744.1 Ų44.114%0.14124%0.24CC..EExtended strand (participates in β ladder)trans-76.9118.1175.2-177.868000109.8L9 A21 T41 P115L9-L18 HydrophobicContact CD2-CD1 4.23Å; L9-L18 HydrophobicContact CG-CD1 4.02Å; L18-A21 HydrophobicContact CD1-CB 4.19Å; L18-T41 HydrophobicContact CD2-CG2 3.68Å; L18-P115 HydrophobicContact CD2-CG 3.76Å; L18-P115 HydrophobicContact CG-CG 4Å; L18-P115 WeakPolarHBondContact O-CD 3.14Å
19L97.9Very high94.8Very high0 Ų047.4 Ų47.40%026%0.263CS..EExtended strand (participates in β ladder)trans-91.5-49.6178.6-58.7-177.4000111.4V8 V17 L75 F101 W110 S114 P115 I118V8-L19 HydrophobicContact CG1-CD1 4.27Å; V8-L19 WeakPolarHBondContact O-CB 3.19Å; V8-L19 PolarHBondContact O-N 2.94Å; V17-L19 HydrophobicContact CG1-CD2 4.23Å; V17-L19 PolarHBondContact O-N 3.24Å; L19-L75 HydrophobicContact CD1-CD1 3.94Å; L19-F101 HydrophobicContact CB-CE2 4.48Å; L19-F101 HydrophobicContact CB-CZ 3.93Å; L19-F101 HydrophobicContact CD1-CE1 3.62Å; L19-F101 HydrophobicContact CD1-CZ 3.59Å; L19-F101 HydrophobicContact CG-CZ 4.39Å; L19-W110 HydrophobicContact CD1-CB 4.13Å; L19-W110 HydrophobicContact CD1-CG 4.12Å; L19-W110 VanDerWaalsContact CD2-O 3.31Å; L19-W110 WeakPolarHBondContact CD2-O 3.29Å; L19-S114 CarbonylContact O-C 3.58Å; L19-P115 VanDerWaalsContact O-CA 3.27Å; L19-P115 WeakPolarHBondContact O-CA 3.3Å; L19-I118 HydrophobicContact CB-CG1 4.23Å; L19-I118 HydrophobicContact CD2-CG1 4.22Å
20K98.1Very high94.3Very high48 Ų4854.6 Ų54.621%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-155.5150.7178-150.573.4178.7-172.40110.5S7 V8 P115 I118 Y120 L123S7-K20 WeakPolarHBondContact CA-O 3.31Å; V8-K20 PolarHBondContact N-O 3.44Å; V8-K20 PolarHBondContact O-N 3.14Å; K20-P115 PolarHBondContact NZ-O 3.22Å; K20-I118 PolarHBondContact NZ-O 3.42Å; K20-Y120 VanDerWaalsContact CE-O 3.28Å; K20-Y120 WeakPolarHBondContact CE-O 3.18Å; K20-L123 HydrophobicContact CB-CD2 4.06Å; K20-L123 HydrophobicContact CG-CD2 4.15Å
21A97.9Very high93.9Very high22 Ų2260.9 Ų60.918%0.18232%0.323CS..EExtended strand (participates in β ladder)trans-148.5147.1174.500000111.6L6 L18 Y23 L123L6-A21 CarbonylContact O-C 3.32Å; L6-A21 WeakPolarHBondContact O-CA 3.26Å; L18-A21 HydrophobicContact CD1-CB 4.19Å; A21-Y23 HydrophobicContact CB-CD2 4.45Å; A21-Y23 HydrophobicContact CB-CE1 4.29Å; A21-Y23 HydrophobicContact CB-CE2 3.54Å; A21-Y23 VanDerWaalsContact CB-CZ 3.43Å; A21-Y23 WeakPolarHBondContact CB-OH 3.28Å; A21-L123 VanDerWaalsContact CA-CD2 3.47Å
22A98.1Very high93.5Very high1 Ų163.3 Ų63.31%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-122.6147.1172.200000108.5S5 L6 L123 D124 L127S5-A22 WeakPolarHBondContact CA-O 3.31Å; L6-A22 PolarHBondContact N-O 3.05Å; L6-A22 PolarHBondContact O-N 3.31Å; A22-L123 HydrophobicContact CB-CB 4.13Å; A22-L123 HydrophobicContact CB-CD2 4.14Å; A22-L123 HydrophobicContact CB-CG 3.92Å; A22-D124 HydrophobicContact CB-CB 4.46Å; A22-D124 WeakPolarHBondContact CB-OD1 3.46Å; A22-L127 HydrophobicContact CB-CB 4.24Å; A22-L127 HydrophobicContact CB-CD2 3.83Å
23Y97.9Very high93.6Very high51 Ų5165.2 Ų65.220%0.234%0.335CS..EExtended strand (participates in β ladder)trans-140.7138.1-173.3-55.6-82.4000111.8Y4 A21 Q37 M40 T41Y4-Y23 CarbonylContact O-C 3.6Å; Y4-Y23 WeakPolarHBondContact O-CA 3.35Å; A21-Y23 HydrophobicContact CB-CD2 4.45Å; A21-Y23 HydrophobicContact CB-CE1 4.29Å; A21-Y23 HydrophobicContact CB-CE2 3.54Å; A21-Y23 VanDerWaalsContact CB-CZ 3.43Å; A21-Y23 WeakPolarHBondContact CB-OH 3.28Å; Y23-Q37 HydrophobicContact CD1-CG 3.81Å; Y23-Q37 HydrophobicContact CD2-CG 3.97Å; Y23-Q37 HydrophobicContact CE1-CG 4.34Å; Y23-Q37 HydrophobicContact CE2-CG 4.46Å; Y23-Q37 HydrophobicContact CG-CG 3.59Å; Y23-M40 HydrophobicContact CD1-CE 3.63Å; Y23-M40 HydrophobicContact CE1-CB 4.22Å; Y23-M40 HydrophobicContact CE1-CE 4.36Å; Y23-M40 HydrophobicContact CG-CE 4.47Å; Y23-T41 PolarHBondContact OH-OG1 3.33Å
24D97Very high94Very high41 Ų4161.2 Ų61.222%0.21932%0.324CS..  trans-12187.5166.9-177.3-8.5000109.7K2 Y4 S26 L127 Q131K2-D24 WeakPolarHBondContact CE-OD1 3.39Å; K2-D24 WeakPolarHBondContact CE-OD2 3.49Å; K2-D24 IonicContact NZ-OD1 2.93Å; K2-D24 PolarHBondContact NZ-OD1 3.05Å; K2-D24 IonicContact NZ-OD2 3.44Å; K2-D24 PolarHBondContact NZ-OD2 3.49Å; Y4-D24 PolarHBondContact O-N 3.48Å; D24-S26 VanDerWaalsContact OD1-CB 3.29Å; D24-S26 WeakPolarHBondContact OD1-CB 3.49Å; D24-S26 PolarHBondContact OD1-N 3.43Å; D24-S26 VanDerWaalsContact OD1-N 3.1Å; D24-S26 PolarHBondContact OD1-OG 2.72Å; D24-L127 HydrophobicContact CB-CD2 4.33Å; D24-Q131 PolarHBondContact OD2-NE2 3.48Å
25V95.6Very high94.5Very high16 Ų1655.7 Ų55.710%0.09729%0.288CS..  trans-97.717.4175.7-67.60000113.1S27 F28 R33 V36 Q37 M40V25-S27 PolarHBondContact O-N 3.38Å; V25-F28 HydrophobicContact CB-CD2 3.95Å; V25-F28 HydrophobicContact CG1-CD2 4.16Å; V25-F28 HydrophobicContact CG1-CE2 4.46Å; V25-F28 PolarHBondContact O-N 2.96Å; V25-R33 HydrophobicContact CB-CB 4.3Å; V25-R33 HydrophobicContact CB-CG 4.16Å; V25-R33 HydrophobicContact CG2-CB 3.78Å; V25-R33 HydrophobicContact CG2-CG 3.91Å; V25-R33 WeakPolarHBondContact O-CG 3.42Å; V25-R33 PolarHBondContact O-NE 3.44Å; V25-V36 HydrophobicContact CG1-CB 4.42Å; V25-V36 HydrophobicContact CG1-CG1 4.1Å; V25-Q37 HydrophobicContact CG1-CG 4.02Å; V25-Q37 HydrophobicContact CG2-CG 4.4Å; V25-M40 HydrophobicContact CG1-CE 3.27Å
26S93.8Very high94.7Very high69 Ų6950.7 Ų50.748%0.48327%0.268SS..THydrogen-bonded Turntrans-62.4-27.1-175.161.10000113.5K2 D24 F28 R33K2-S26 PolarHBondContact NZ-OG 3.32Å; D24-S26 VanDerWaalsContact OD1-CB 3.29Å; D24-S26 WeakPolarHBondContact OD1-CB 3.49Å; D24-S26 PolarHBondContact OD1-N 3.43Å; D24-S26 VanDerWaalsContact OD1-N 3.1Å; D24-S26 PolarHBondContact OD1-OG 2.72Å; S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact O-N 3.35Å; S26-R33 PolarHBondContact O-NH2 3.44Å
27S92.6Very high94.7Very high70 Ų7053.8 Ų53.849%0.4928%0.282SS..THydrogen-bonded Turntrans-75.9-15.8177.844.80000113.7K2 V25K2-S27 PolarHBondContact NZ-OG 3.2Å; K2-S27 VanDerWaalsContact NZ-OG 3.1Å; V25-S27 PolarHBondContact O-N 3.38Å
28F92Very high94.6Very high38 Ų3854.4 Ų54.417%0.16728%0.282CS..SBendtrans-89.3151.3176.8-60.1-84.9000111Y4 V25 S26 F30 R33 V36 Y64Y4-F28 AromaticContact CD1-CE2 3.57Å; Y4-F28 HydrophobicContact CD1-CE2 3.57Å; Y4-F28 HydrophobicContact CD1-CZ 4.03Å; Y4-F28 AromaticContact CE1-CE2 3.65Å; Y4-F28 HydrophobicContact CE1-CE2 3.65Å; Y4-F28 AromaticContact CE1-CZ 3.82Å; Y4-F28 HydrophobicContact CE1-CZ 3.82Å; Y4-F28 HydrophobicContact CG-CE2 4.46Å; V25-F28 HydrophobicContact CB-CD2 3.95Å; V25-F28 HydrophobicContact CG1-CD2 4.16Å; V25-F28 HydrophobicContact CG1-CE2 4.46Å; V25-F28 PolarHBondContact O-N 2.96Å; S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact O-N 3.35Å; F28-F30 PolarHBondContact O-N 2.57Å; F28-R33 HydrophobicContact CB-CG 4.28Å; F28-R33 PolarHBondContact O-NE 3.44Å; F28-V36 HydrophobicContact CB-CG2 4.43Å; F28-V36 HydrophobicContact CD1-CG1 4.32Å; F28-V36 HydrophobicContact CD1-CG2 3.99Å; F28-V36 HydrophobicContact CD2-CG1 3.93Å; F28-V36 HydrophobicContact CE1-CG1 4.15Å; F28-V36 HydrophobicContact CE1-CG2 4.41Å; F28-V36 HydrophobicContact CE2-CG1 3.74Å; F28-V36 HydrophobicContact CG-CG1 4.22Å; F28-V36 HydrophobicContact CG-CG2 4.07Å; F28-V36 HydrophobicContact CZ-CG1 3.86Å; F28-Y64 HydrophobicContact CZ-CE1 4.29Å
29S93.1Very high94.5Very high71 Ų7154.6 Ų54.650%0.49728%0.282SS..  trans-52.7136.2173.7-61.80000110.7F31 Q32 R33S29-F31 PolarHBondContact O-N 3.1Å; S29-Q32 PolarHBondContact O-N 3.18Å; S29-R33 WeakPolarHBondContact O-CG 3.28Å; S29-R33 PolarHBondContact O-N 2.96Å
30F89.6Confident94.4Very high151 Ų15155.2 Ų55.266%0.66229%0.285SS*.G310 helixtrans-47.7-44.2-174.7179.7-98.8000113.3F28 Q32 R33F28-F30 PolarHBondContact O-N 2.57Å; F30-Q32 VanDerWaalsContact C-N 3.26Å; F30-Q32 PolarHBondContact O-N 2.86Å; F30-R33 PolarHBondContact O-N 2.93Å
31F89.2Confident94.4Very high175 Ų17553.7 Ų53.777%0.76828%0.28SS*.G310 helixtrans-71-15-179-56.8-69.1000115.1S29S29-F31 PolarHBondContact O-N 3.1Å
32Q89.7Confident94.3Very high72 Ų7253.6 Ų53.634%0.33628%0.275SS..G310 helixtrans-98.9-19-179.8-66.5172.3-27.400112.3S29 F30 S34 S35 V36 F184S29-Q32 PolarHBondContact O-N 3.18Å; F30-Q32 VanDerWaalsContact C-N 3.26Å; F30-Q32 PolarHBondContact O-N 2.86Å; Q32-S34 VanDerWaalsContact C-N 3.32Å; Q32-S34 PolarHBondContact O-N 3.06Å; Q32-S35 PolarHBondContact O-N 3.5Å; Q32-V36 HydrophobicContact CB-CG2 4.32Å; Q32-V36 VanDerWaalsContact O-CG2 3.29Å; Q32-V36 WeakPolarHBondContact O-CG2 3.45Å; Q32-V36 PolarHBondContact O-N 2.99Å; Q32-F184 HydrophobicContact CG-CE2 4Å; Q32-F184 HydrophobicContact CG-CZ 4.34Å
33R92.7Very high94.2Very high84 Ų8454.8 Ų54.832%0.31728%0.283SS..Hα-helixtrans-53.2-44.8-171.2-71.1-178.5-177.4177-1.7113.5V25 S26 F28 S29 F30 V36 Q37V25-R33 HydrophobicContact CB-CB 4.3Å; V25-R33 HydrophobicContact CB-CG 4.16Å; V25-R33 HydrophobicContact CG2-CB 3.78Å; V25-R33 HydrophobicContact CG2-CG 3.91Å; V25-R33 WeakPolarHBondContact O-CG 3.42Å; V25-R33 PolarHBondContact O-NE 3.44Å; S26-R33 PolarHBondContact O-NH2 3.44Å; F28-R33 HydrophobicContact CB-CG 4.28Å; F28-R33 PolarHBondContact O-NE 3.44Å; S29-R33 WeakPolarHBondContact O-CG 3.28Å; S29-R33 PolarHBondContact O-N 2.96Å; F30-R33 PolarHBondContact O-N 2.93Å; R33-V36 PolarHBondContact O-N 3.22Å; R33-Q37 PolarHBondContact O-N 3.3Å
34S94.4Very high94.2Very high67 Ų6752.4 Ų52.447%0.46927%0.273SS..Hα-helixtrans-59.7-49.2177.9-166.30000111.6Q32 V36 Q37 E38Q32-S34 VanDerWaalsContact C-N 3.32Å; Q32-S34 PolarHBondContact O-N 3.06Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 2.95Å; S34-Q37 WeakPolarHBondContact O-CB 3.41Å; S34-Q37 PolarHBondContact O-N 3.07Å; S34-E38 WeakPolarHBondContact O-CG 3.42Å; S34-E38 PolarHBondContact O-N 3.47Å
35S94.4Very high94.2Very high3 Ų351.9 Ų51.92%0.02127%0.269CS..Hα-helixtrans-64.8-39.5179.4-64.40000112.4Q32 Q37 E38 F39 S181Q32-S35 PolarHBondContact O-N 3.5Å; S35-Q37 VanDerWaalsContact C-N 3.35Å; S35-Q37 PolarHBondContact O-N 2.84Å; S35-E38 PolarHBondContact O-N 2.97Å; S35-F39 VanDerWaalsContact O-CD2 3.23Å; S35-F39 WeakPolarHBondContact O-CD2 3.35Å; S35-F39 PolarHBondContact O-N 3.21Å; S35-S181 VanDerWaalsContact CA-OG 3.24Å; S35-S181 WeakPolarHBondContact CA-OG 3.47Å; S35-S181 VanDerWaalsContact CB-OG 3.32Å; S35-S181 WeakPolarHBondContact CB-OG 3.39Å; S35-S181 PolarHBondContact OG-OG 2.83Å
36V94.4Very high94.2Very high19 Ų1951.3 Ų51.312%0.11527%0.266CS..Hα-helixtrans-63.1-42.7176.7-179.40000110.5V25 F28 Q32 R33 S34 F39 M40V25-V36 HydrophobicContact CG1-CB 4.42Å; V25-V36 HydrophobicContact CG1-CG1 4.1Å; F28-V36 HydrophobicContact CB-CG2 4.43Å; F28-V36 HydrophobicContact CD1-CG1 4.32Å; F28-V36 HydrophobicContact CD1-CG2 3.99Å; F28-V36 HydrophobicContact CD2-CG1 3.93Å; F28-V36 HydrophobicContact CE1-CG1 4.15Å; F28-V36 HydrophobicContact CE1-CG2 4.41Å; F28-V36 HydrophobicContact CE2-CG1 3.74Å; F28-V36 HydrophobicContact CG-CG1 4.22Å; F28-V36 HydrophobicContact CG-CG2 4.07Å; F28-V36 HydrophobicContact CZ-CG1 3.86Å; Q32-V36 HydrophobicContact CB-CG2 4.32Å; Q32-V36 VanDerWaalsContact O-CG2 3.29Å; Q32-V36 WeakPolarHBondContact O-CG2 3.45Å; Q32-V36 PolarHBondContact O-N 2.99Å; R33-V36 PolarHBondContact O-N 3.22Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 2.95Å; V36-F39 PolarHBondContact O-N 3.44Å; V36-M40 HydrophobicContact CG1-CE 4.09Å; V36-M40 HydrophobicContact CG1-SD 4.46Å; V36-M40 WeakPolarHBondContact O-CG 3.37Å; V36-M40 PolarHBondContact O-N 3.14Å
37Q95.8Very high94.3Very high69 Ų6948 Ų4832%0.32224%0.243SC..Hα-helixtrans-58.9-48.1174.5-103.9178.8-57.700112.7Y23 V25 R33 S34 S35 F39 M40 T41Y23-Q37 HydrophobicContact CD1-CG 3.81Å; Y23-Q37 HydrophobicContact CD2-CG 3.97Å; Y23-Q37 HydrophobicContact CE1-CG 4.34Å; Y23-Q37 HydrophobicContact CE2-CG 4.46Å; Y23-Q37 HydrophobicContact CG-CG 3.59Å; V25-Q37 HydrophobicContact CG1-CG 4.02Å; V25-Q37 HydrophobicContact CG2-CG 4.4Å; R33-Q37 PolarHBondContact O-N 3.3Å; S34-Q37 WeakPolarHBondContact O-CB 3.41Å; S34-Q37 PolarHBondContact O-N 3.07Å; S35-Q37 VanDerWaalsContact C-N 3.35Å; S35-Q37 PolarHBondContact O-N 2.84Å; Q37-F39 VanDerWaalsContact C-N 3.31Å; Q37-F39 PolarHBondContact O-N 3.33Å; Q37-M40 HydrophobicContact CG-CE 4.2Å; Q37-M40 PolarHBondContact O-N 2.85Å; Q37-T41 PolarHBondContact O-N 2.81Å; Q37-T41 PolarHBondContact O-OG1 3.12Å
38E95.8Very high94.6Very high48 Ų4844.7 Ų44.722%0.22422%0.22CC..Hα-helixtrans-61-41177.3-70.6174.6-157.500111.5S34 S35 T41 F42 L177 G178 S181S34-E38 WeakPolarHBondContact O-CG 3.42Å; S34-E38 PolarHBondContact O-N 3.47Å; S35-E38 PolarHBondContact O-N 2.97Å; E38-T41 WeakPolarHBondContact O-CB 3.46Å; E38-T41 PolarHBondContact O-N 2.95Å; E38-F42 WeakPolarHBondContact O-CB 3.48Å; E38-F42 PolarHBondContact O-N 3.21Å; E38-L177 HydrophobicContact CB-CD2 3.84Å; E38-L177 WeakPolarHBondContact O-CD2 3.49Å; E38-G178 PolarHBondContact OE2-N 2.97Å; E38-S181 VanDerWaalsContact CD-OG 3.3Å; E38-S181 WeakPolarHBondContact OE2-CB 3.2Å; E38-S181 PolarHBondContact OE2-OG 3.07Å
39F95Very high94.7Very high32 Ų3245.9 Ų45.914%0.1423%0.226CC..Hα-helixtrans-64.9-42.9175.2-90.9-70.4000113S35 V36 Q37 T41 F42 T43 V171 L177 S181 Y185S35-F39 VanDerWaalsContact O-CD2 3.23Å; S35-F39 WeakPolarHBondContact O-CD2 3.35Å; S35-F39 PolarHBondContact O-N 3.21Å; V36-F39 PolarHBondContact O-N 3.44Å; Q37-F39 VanDerWaalsContact C-N 3.31Å; Q37-F39 PolarHBondContact O-N 3.33Å; F39-T41 VanDerWaalsContact C-N 3.25Å; F39-T41 PolarHBondContact O-N 3.05Å; F39-F42 HydrophobicContact CD1-CD1 4.44Å; F39-F42 PolarHBondContact O-N 3.38Å; F39-T43 VanDerWaalsContact O-CB 3.26Å; F39-T43 WeakPolarHBondContact O-CB 3.29Å; F39-T43 PolarHBondContact O-N 3.43Å; F39-T43 PolarHBondContact O-OG1 3.41Å; F39-V171 HydrophobicContact CE1-CG1 4.36Å; F39-V171 HydrophobicContact CE1-CG2 4.14Å; F39-V171 HydrophobicContact CZ-CG1 4.27Å; F39-L177 HydrophobicContact CD1-CD1 4.27Å; F39-L177 HydrophobicContact CD1-CD2 4.1Å; F39-L177 HydrophobicContact CD2-CD2 4.32Å; F39-L177 HydrophobicContact CE1-CD1 3.61Å; F39-L177 HydrophobicContact CE1-CD2 4.13Å; F39-L177 HydrophobicContact CE2-CD2 4.34Å; F39-L177 HydrophobicContact CG-CD2 4.15Å; F39-L177 HydrophobicContact CZ-CD1 3.77Å; F39-L177 HydrophobicContact CZ-CD2 4.19Å; F39-S181 VanDerWaalsContact CE2-O 3.25Å; F39-S181 WeakPolarHBondContact CE2-O 3.39Å; F39-Y185 AromaticContact CE1-CD2 3.89Å; F39-Y185 HydrophobicContact CE1-CD2 3.89Å; F39-Y185 HydrophobicContact CE1-CG 4.17Å; F39-Y185 HydrophobicContact CZ-CD2 4.01Å; F39-Y185 AromaticContact CZ-CG 3.88Å; F39-Y185 HydrophobicContact CZ-CG 3.88Å
40M96.4Very high94.8Very high13 Ų1346.1 Ų46.16%0.06422%0.216CC..Hα-helixtrans-61.9-37.5175.6-72.5-171.5-64.200111.6Y4 Y23 V25 V36 Q37 S44 I80Y4-M40 VanDerWaalsContact CB-SD 3.53Å; Y23-M40 HydrophobicContact CD1-CE 3.63Å; Y23-M40 HydrophobicContact CE1-CB 4.22Å; Y23-M40 HydrophobicContact CE1-CE 4.36Å; Y23-M40 HydrophobicContact CG-CE 4.47Å; V25-M40 HydrophobicContact CG1-CE 3.27Å; V36-M40 HydrophobicContact CG1-CE 4.09Å; V36-M40 HydrophobicContact CG1-SD 4.46Å; V36-M40 WeakPolarHBondContact O-CG 3.37Å; V36-M40 PolarHBondContact O-N 3.14Å; Q37-M40 HydrophobicContact CG-CE 4.2Å; Q37-M40 PolarHBondContact O-N 2.85Å; M40-S44 WeakPolarHBondContact O-CB 3.47Å; M40-S44 PolarHBondContact O-N 2.87Å; M40-S44 PolarHBondContact O-OG 2.82Å; M40-I80 HydrophobicContact CB-CD1 3.83Å; M40-I80 HydrophobicContact CG-CD1 3.89Å
41T97.1Very high95Very high16 Ų1639.3 Ų39.310%0.09819%0.187CC..Hα-helixtrans-64.1-52.1175.4-49.10000111.1L18 Y23 Q37 E38 F39 T43 S44 Q45 V176L18-T41 HydrophobicContact CD2-CG2 3.68Å; Y23-T41 PolarHBondContact OH-OG1 3.33Å; Q37-T41 PolarHBondContact O-N 2.81Å; Q37-T41 PolarHBondContact O-OG1 3.12Å; E38-T41 WeakPolarHBondContact O-CB 3.46Å; E38-T41 PolarHBondContact O-N 2.95Å; F39-T41 VanDerWaalsContact C-N 3.25Å; F39-T41 PolarHBondContact O-N 3.05Å; T41-T43 PolarHBondContact O-N 3.43Å; T41-S44 PolarHBondContact O-N 3.45Å; T41-Q45 PolarHBondContact O-N 3.22Å; T41-V176 HydrophobicContact CG2-CG1 3.8Å
42F96.4Very high95.2Very high19 Ų1934 Ų348%0.08318%0.175CC..Hα-helixtrans-58.1-47.6178.6167-101.7000111.7E38 F39 S44 Q45 L46 L167 L170 V171 S174 V176 L177E38-F42 WeakPolarHBondContact O-CB 3.48Å; E38-F42 PolarHBondContact O-N 3.21Å; F39-F42 HydrophobicContact CD1-CD1 4.44Å; F39-F42 PolarHBondContact O-N 3.38Å; F42-S44 VanDerWaalsContact C-N 3.33Å; F42-S44 PolarHBondContact O-N 2.95Å; F42-Q45 PolarHBondContact O-N 2.99Å; F42-L46 HydrophobicContact CE1-CD2 4.3Å; F42-L46 HydrophobicContact CZ-CD2 4.23Å; F42-L46 WeakPolarHBondContact O-CB 3.41Å; F42-L46 PolarHBondContact O-N 3.47Å; F42-L167 HydrophobicContact CE1-CD1 4.31Å; F42-L170 HydrophobicContact CZ-CB 4Å; F42-V171 HydrophobicContact CE1-CG2 3.91Å; F42-V171 HydrophobicContact CZ-CG2 4.18Å; F42-S174 WeakPolarHBondContact CD2-OG 3.49Å; F42-V176 HydrophobicContact CB-CG1 4.29Å; F42-L177 HydrophobicContact CB-CD1 4.43Å; F42-L177 HydrophobicContact CB-CD2 3.79Å; F42-L177 HydrophobicContact CB-CG 4.06Å; F42-L177 HydrophobicContact CD1-CD1 4.2Å; F42-L177 HydrophobicContact CD2-CD1 4.37Å; F42-L177 HydrophobicContact CD2-CG 4.45Å; F42-L177 HydrophobicContact CG-CD1 4.06Å; F42-L177 HydrophobicContact CG-CD2 4.31Å; F42-L177 HydrophobicContact CG-CG 4.16Å
43T96.3Very high95.5Very high27 Ų2735.1 Ų35.117%0.16618%0.179CC..Hα-helixtrans-59.2-44.7176.5-65.90000111.5F39 T41 Q45 L46 I47 I80 M157F39-T43 VanDerWaalsContact O-CB 3.26Å; F39-T43 WeakPolarHBondContact O-CB 3.29Å; F39-T43 PolarHBondContact O-N 3.43Å; F39-T43 PolarHBondContact O-OG1 3.41Å; T41-T43 PolarHBondContact O-N 3.43Å; T43-Q45 VanDerWaalsContact C-N 3.35Å; T43-Q45 PolarHBondContact O-N 2.99Å; T43-L46 PolarHBondContact O-N 2.93Å; T43-I47 HydrophobicContact CG2-CD1 3.65Å; T43-I47 HydrophobicContact CG2-CG1 4.26Å; T43-I47 WeakPolarHBondContact O-CB 3.47Å; T43-I47 WeakPolarHBondContact O-CG1 3.46Å; T43-I47 PolarHBondContact O-N 2.96Å; T43-I80 HydrophobicContact CG2-CD1 4.3Å; T43-M157 HydrophobicContact CG2-CE 3.6Å
44S97.6Very high95.6Very high0 Ų033.6 Ų33.60%019%0.19CC..Hα-helixtrans-62.3-42.6179.2-58.10000111.8M40 T41 F42 V48M40-S44 WeakPolarHBondContact O-CB 3.47Å; M40-S44 PolarHBondContact O-N 2.87Å; M40-S44 PolarHBondContact O-OG 2.82Å; T41-S44 PolarHBondContact O-N 3.45Å; F42-S44 VanDerWaalsContact C-N 3.33Å; F42-S44 PolarHBondContact O-N 2.95Å; S44-V48 WeakPolarHBondContact O-CG2 3.39Å; S44-V48 PolarHBondContact O-N 3.39Å; S44-V48 VanDerWaalsContact O-N 3.16Å
45Q96.7Very high95.6Very high30 Ų3031.2 Ų31.214%0.1417%0.173CC..Hα-helixtrans-63.2-48.6174.9-77.1178.5-55.300112.1L9 A16 T41 F42 T43 I47 V48 E49L9-Q45 HydrophobicContact CD2-CB 4.31Å; L9-Q45 HydrophobicContact CD2-CG 3.5Å; A16-Q45 HydrophobicContact CB-CB 4.29Å; A16-Q45 HydrophobicContact CB-CG 4.28Å; A16-Q45 PolarHBondContact O-NE2 2.92Å; T41-Q45 PolarHBondContact O-N 3.22Å; F42-Q45 PolarHBondContact O-N 2.99Å; T43-Q45 VanDerWaalsContact C-N 3.35Å; T43-Q45 PolarHBondContact O-N 2.99Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-I47 PolarHBondContact O-N 3.1Å; Q45-V48 PolarHBondContact O-N 3.28Å; Q45-E49 WeakPolarHBondContact O-CG 3.33Å; Q45-E49 PolarHBondContact O-N 2.89Å
46L95.6Very high95.7Very high5 Ų532.2 Ų32.23%0.02618%0.177CC..Hα-helixtrans-59-44.9-179.9179.160.6000111.7F42 T43 V48 E49 R50 M157 L161 L167 L170F42-L46 HydrophobicContact CE1-CD2 4.3Å; F42-L46 HydrophobicContact CZ-CD2 4.23Å; F42-L46 WeakPolarHBondContact O-CB 3.41Å; F42-L46 PolarHBondContact O-N 3.47Å; T43-L46 PolarHBondContact O-N 2.93Å; L46-V48 VanDerWaalsContact C-N 3.34Å; L46-V48 PolarHBondContact O-N 3Å; L46-E49 PolarHBondContact O-N 3.32Å; L46-R50 HydrophobicContact CD1-CG 4.12Å; L46-R50 VanDerWaalsContact O-CG 3.3Å; L46-R50 WeakPolarHBondContact O-CG 3.29Å; L46-R50 PolarHBondContact O-N 3.2Å; L46-R50 VanDerWaalsContact O-N 3.07Å; L46-M157 HydrophobicContact CD2-CG 4.16Å; L46-M157 HydrophobicContact CD2-SD 3.74Å; L46-M157 HydrophobicContact CG-SD 4.29Å; L46-L161 HydrophobicContact CD1-CD2 4.4Å; L46-L161 HydrophobicContact CD2-CD2 4.34Å; L46-L167 HydrophobicContact CD2-CD1 3.99Å; L46-L170 HydrophobicContact CD1-CD1 3.98Å; L46-L170 HydrophobicContact CD2-CD1 4.25Å
47I96.4Very high95.8Very high0 Ų031.4 Ų31.40%017%0.172CC..Hα-helixtrans-61.5-44.2178.3-66.4169.6000110.7T43 Q45 R50 S51 V59 C66 V68 M157 L160T43-I47 HydrophobicContact CG2-CD1 3.65Å; T43-I47 HydrophobicContact CG2-CG1 4.26Å; T43-I47 WeakPolarHBondContact O-CB 3.47Å; T43-I47 WeakPolarHBondContact O-CG1 3.46Å; T43-I47 PolarHBondContact O-N 2.96Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-I47 PolarHBondContact O-N 3.1Å; I47-R50 PolarHBondContact O-N 3.46Å; I47-S51 VanDerWaalsContact O-CB 3.29Å; I47-S51 WeakPolarHBondContact O-CB 3.37Å; I47-S51 PolarHBondContact O-N 3.05Å; I47-S51 PolarHBondContact O-OG 2.82Å; I47-V59 HydrophobicContact CD1-CB 4.24Å; I47-V59 HydrophobicContact CD1-CG2 4.12Å; I47-V59 HydrophobicContact CG1-CG2 4.15Å; I47-V59 HydrophobicContact CG2-CG2 4.11Å; I47-C66 HydrophobicContact CD1-CB 3.4Å; I47-C66 VanDerWaalsContact CD1-CB 3.4Å; I47-V68 HydrophobicContact CG2-CB 3.59Å; I47-V68 HydrophobicContact CG2-CG1 3.42Å; I47-V68 VanDerWaalsContact CG2-CG1 3.42Å; I47-V68 HydrophobicContact CG2-CG2 3.99Å; I47-M157 HydrophobicContact CD1-CE 3.96Å; I47-M157 HydrophobicContact CG1-CE 3.83Å; I47-M157 HydrophobicContact CG1-SD 4.27Å; I47-L160 HydrophobicContact CB-CD1 4.37Å; I47-L160 HydrophobicContact CG1-CD1 3.87Å; I47-L160 HydrophobicContact CG2-CD1 4.45Å
48V97.4Very high95.9Very high0 Ų028.4 Ų28.40%016%0.158CC..Hα-helixtrans-65.4-39.6178.6171.90000111.6L9 K11 A16 S44 Q45 L46 R50 S51 V68 A76 V78L9-V48 HydrophobicContact CB-CG2 4.42Å; L9-V48 HydrophobicContact CD1-CG2 4.18Å; L9-V48 HydrophobicContact CD2-CG2 4.45Å; K11-V48 HydrophobicContact CB-CG1 3.78Å; K11-V48 HydrophobicContact CG-CG1 4.06Å; K11-V48 PolarHBondContact NZ-O 3.31Å; A16-V48 HydrophobicContact CB-CB 4.07Å; A16-V48 HydrophobicContact CB-CG1 3.88Å; S44-V48 WeakPolarHBondContact O-CG2 3.39Å; S44-V48 PolarHBondContact O-N 3.39Å; S44-V48 VanDerWaalsContact O-N 3.16Å; Q45-V48 PolarHBondContact O-N 3.28Å; L46-V48 VanDerWaalsContact C-N 3.34Å; L46-V48 PolarHBondContact O-N 3Å; V48-R50 VanDerWaalsContact C-N 3.3Å; V48-R50 PolarHBondContact O-N 3.18Å; V48-S51 PolarHBondContact O-N 3.3Å; V48-V68 HydrophobicContact CG2-CG2 4.07Å; V48-A76 HydrophobicContact CB-CB 4.42Å; V48-A76 HydrophobicContact CG1-CB 3.69Å; V48-A76 HydrophobicContact CG2-CB 3.74Å; V48-V78 HydrophobicContact CG2-CG2 3.53Å
49E95.6Very high95.9Very high62 Ų6226.1 Ų26.129%0.2915%0.147SC..Hα-helixtrans-60.3-40.3176.4-74171.3-177.600111.6K11 K15 A16 Q45 L46K11-E49 PolarHBondContact NZ-O 3.19Å; K15-E49 WeakPolarHBondContact CA-OE1 3.19Å; A16-E49 HydrophobicContact CB-CG 3.82Å; A16-E49 PolarHBondContact N-OE1 2.99Å; Q45-E49 WeakPolarHBondContact O-CG 3.33Å; Q45-E49 PolarHBondContact O-N 2.89Å; L46-E49 PolarHBondContact O-N 3.32Å
50R94Very high95.9Very high76 Ų7629 Ų2929%0.28716%0.16SC..Hα-helixtrans-86.8-12.5-178.5-56.6-58.3176.8171.63.6115L46 I47 V48 L160 E162 E165L46-R50 HydrophobicContact CD1-CG 4.12Å; L46-R50 VanDerWaalsContact O-CG 3.3Å; L46-R50 WeakPolarHBondContact O-CG 3.29Å; L46-R50 PolarHBondContact O-N 3.2Å; L46-R50 VanDerWaalsContact O-N 3.07Å; I47-R50 PolarHBondContact O-N 3.46Å; V48-R50 VanDerWaalsContact C-N 3.3Å; V48-R50 PolarHBondContact O-N 3.18Å; R50-L160 HydrophobicContact CB-CB 3.99Å; R50-L160 HydrophobicContact CB-CD2 4.17Å; R50-L160 HydrophobicContact CB-CG 4.49Å; R50-L160 WeakPolarHBondContact CD-O 3.48Å; R50-L160 HydrophobicContact CG-CB 4.16Å; R50-L160 WeakPolarHBondContact CG-O 3.42Å; R50-E162 IonicContact NH1-OE1 3.83Å; R50-E162 PolarHBondContact NH1-OE1 3.38Å; R50-E165 IonicContact CZ-OE1 3.86Å; R50-E165 IonicContact CZ-OE2 2.72Å; R50-E165 IonicContact NH1-OE2 3.82Å; R50-E165 VanDerWaalsContact NH2-CD 3.25Å; R50-E165 IonicContact NH2-OE1 3.73Å; R50-E165 PolarHBondContact NH2-OE1 3.21Å; R50-E165 IonicContact NH2-OE2 2.84Å; R50-E165 PolarHBondContact NH2-OE2 3.42Å
51S94.5Very high95.6Very high8 Ų831.1 Ų31.16%0.05617%0.17CC..SBendtrans-87.3140.1179.6-62.80000112.5K11 I47 V48K11-S51 WeakPolarHBondContact CE-O 3.39Å; K11-S51 PolarHBondContact NZ-O 2.82Å; I47-S51 VanDerWaalsContact O-CB 3.29Å; I47-S51 WeakPolarHBondContact O-CB 3.37Å; I47-S51 PolarHBondContact O-N 3.05Å; I47-S51 PolarHBondContact O-OG 2.82Å; V48-S51 PolarHBondContact O-N 3.3Å
52A94.1Very high95.2Very high64 Ų6436.6 Ų36.653%0.52919%0.194SC..PPolyproline II helixtrans-72.3154.217600000111.9S55A52-S55 PolarHBondContact N-OG 2.77Å; A52-S55 WeakPolarHBondContact O-CB 3.49Å; A52-S55 PolarHBondContact O-N 3.3Å; A52-S55 PolarHBondContact O-OG 3.39Å
53K95.9Very high94.9Very high95 Ų9540.9 Ų40.941%0.41322%0.215SC..THydrogen-bonded Turntrans-65144171.5-62.4-175.5-171.6-1710110.4K11 S55 V70 S74K11-K53 HydrophobicContact CD-CG 4.07Å; K53-S55 VanDerWaalsContact C-N 3.28Å; K53-S55 PolarHBondContact O-N 2.72Å; K53-V70 HydrophobicContact CG-CG1 4.4Å; K53-S74 VanDerWaalsContact CE-OG 3.25Å; K53-S74 WeakPolarHBondContact CE-OG 3.37Å; K53-S74 PolarHBondContact NZ-OG 3.36Å
54G94.4Very high94.8Very high52 Ų5242.3 Ų42.354%0.53622%0.217SC..THydrogen-bonded Turntrans69.622.3-177.300000114.1V70 R71G54-V70 CarbonylContact C-O 3.44Å; G54-V70 WeakPolarHBondContact CA-O 3.35Å; G54-V70 PolarHBondContact N-O 3.49Å; G54-R71 PolarHBondContact N-O 3.19Å
55S94.6Very high94.7Very high18 Ų1843.1 Ų43.113%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-117.7150.8-177.776.90000112.6A52 K53 V70A52-S55 PolarHBondContact N-OG 2.77Å; A52-S55 WeakPolarHBondContact O-CB 3.49Å; A52-S55 PolarHBondContact O-N 3.3Å; A52-S55 PolarHBondContact O-OG 3.39Å; K53-S55 VanDerWaalsContact C-N 3.28Å; K53-S55 PolarHBondContact O-N 2.72Å; S55-V70 PolarHBondContact N-O 2.94Å; S55-V70 VanDerWaalsContact N-O 3.11Å; S55-V70 PolarHBondContact O-N 2.82Å
56R95.8Very high94.8Very high24 Ų2441.9 Ų41.99%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-117.3129.7171.5-69.1-178-179.799.1-3108.3V68 Y69 F91 E95 T149 I151 I152R56-V68 WeakPolarHBondContact CA-O 3.42Å; R56-Y69 HydrophobicContact CG-CD2 3.38Å; R56-Y69 HydrophobicContact CG-CE2 4Å; R56-Y69 HydrophobicContact CG-CG 3.95Å; R56-Y69 PolarHBondContact NH2-OH 2.92Å; R56-F91 HydrophobicContact CB-CD1 4.41Å; R56-F91 HydrophobicContact CB-CE1 3.83Å; R56-F91 HydrophobicContact CB-CZ 4.33Å; R56-F91 HydrophobicContact CG-CD1 4.3Å; R56-F91 HydrophobicContact CG-CE1 4.15Å; R56-E95 IonicContact CZ-OE2 4Å; R56-E95 IonicContact NH2-OE2 2.7Å; R56-E95 PolarHBondContact NH2-OE2 3.46Å; R56-T149 PolarHBondContact NH1-OG1 2.93Å; R56-I151 HydrophobicContact CB-CG1 4.35Å; R56-I152 PolarHBondContact O-N 2.93Å
57A96.4Very high94.9Very high2 Ų241.7 Ų41.72%0.01722%0.215CC..EExtended strand (participates in β ladder)trans-139.6156.4178.700000111.7V68 I152A57-V68 HydrophobicContact CB-CG1 3.69Å; A57-V68 PolarHBondContact N-O 3.05Å; A57-V68 WeakPolarHBondContact O-CG1 3.37Å; A57-V68 PolarHBondContact O-N 3.08Å; A57-I152 CarbonylContact C-O 3.51Å; A57-I152 WeakPolarHBondContact CA-O 3.12Å; A57-I152 HydrophobicContact CB-CB 4Å
58S97Very high95Very high5 Ų541.7 Ų41.74%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-124.8130.9170.2-55.20000108.6C66 H67 I152 H154S58-C66 CarbonylContact C-O 3.6Å; S58-C66 VanDerWaalsContact CA-O 3.29Å; S58-C66 WeakPolarHBondContact CA-O 3.48Å; S58-H67 PolarHBondContact OG-ND1 2.92Å; S58-I152 PolarHBondContact N-O 2.81Å; S58-H154 PolarHBondContact O-N 2.84Å
59V97.1Very high95Very high0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-116.5111-179.2-171.90000107.4I47 C66 H154 M157 L160I47-V59 HydrophobicContact CD1-CB 4.24Å; I47-V59 HydrophobicContact CD1-CG2 4.12Å; I47-V59 HydrophobicContact CG1-CG2 4.15Å; I47-V59 HydrophobicContact CG2-CG2 4.11Å; V59-C66 HydrophobicContact CB-CB 4.29Å; V59-C66 PolarHBondContact N-O 3.45Å; V59-C66 PolarHBondContact O-N 3.39Å; V59-H154 HydrophobicContact CB-CB 4.28Å; V59-H154 HydrophobicContact CG1-CB 4.08Å; V59-H154 HydrophobicContact CG2-CB 4.11Å; V59-M157 HydrophobicContact CG1-CE 3.88Å; V59-L160 HydrophobicContact CG1-CD1 4.09Å; V59-L160 HydrophobicContact CG2-CD1 3.68Å; V59-L160 HydrophobicContact CG2-CG 4.39Å
60K94.8Very high95.1Very high92 Ų9240.1 Ų40.140%0.421%0.207SC..EExtended strand (participates in β ladder)trans-81.5136.5175.3-172.7176-179.2178.40108.9Q62 L65 H154 N155 T156K60-Q62 WeakPolarHBondContact CE-O 3.2Å; K60-L65 HydrophobicContact CB-CD1 3.83Å; K60-L65 HydrophobicContact CG-CD1 4.36Å; K60-H154 PolarHBondContact N-O 2.95Å; K60-N155 CarbonylContact O-C 3.45Å; K60-T156 WeakPolarHBondContact O-CA 3.21Å; K60-T156 PolarHBondContact O-N 3.16Å
61E89.9Confident95.2Very high59 Ų5938.4 Ų38.428%0.27620%0.2SC..EExtended strand (participates in β ladder)trans-143.3104.9171-172.261.2-136.400107.7E63 Y64 M157E61-E63 PolarHBondContact O-N 2.85Å; E61-Y64 PolarHBondContact N-O 2.83Å; E61-Y64 WeakPolarHBondContact O-CB 3.28Å; E61-Y64 PolarHBondContact O-N 2.84Å; E61-M157 WeakPolarHBondContact OE2-CB 3.44Å; E61-M157 PolarHBondContact OE2-N 3.29Å
62Q88Confident95.2Very high130 Ų13042.9 Ų42.961%0.60723%0.232SC*.THydrogen-bonded Turntrans54.7-120.6-173.5-55.1179.3-7.100112.3K60K60-Q62 WeakPolarHBondContact CE-O 3.2Å
63E90.3Very high95.3Very high110 Ų11042.6 Ų42.651%0.51422%0.221SC..THydrogen-bonded Turntrans-84-9.717863.5-167.214700113.5E61 S83E61-E63 PolarHBondContact O-N 2.85Å; E63-S83 WeakPolarHBondContact O-CB 3.13Å; E63-S83 PolarHBondContact O-N 2.63Å; E63-S83 PolarHBondContact O-OG 2.79Å; E63-S83 VanDerWaalsContact O-OG 3.07Å
64Y94.4Very high95.4Very high57 Ų5738.5 Ų38.522%0.22421%0.205CC..EExtended strand (participates in β ladder)trans-95150.1-179-53.4-80000111.7Y4 F28 E61 A81Y4-Y64 AromaticContact CD2-CD1 3.9Å; Y4-Y64 HydrophobicContact CD2-CD1 3.9Å; Y4-Y64 HydrophobicContact CD2-CE1 4.07Å; Y4-Y64 AromaticContact CE2-CD1 3.52Å; Y4-Y64 HydrophobicContact CE2-CD1 3.52Å; Y4-Y64 AromaticContact CE2-CE1 3.47Å; Y4-Y64 HydrophobicContact CE2-CE1 3.47Å; Y4-Y64 VanDerWaalsContact CE2-CE1 3.47Å; Y4-Y64 AromaticContact CZ-CE1 3.74Å; F28-Y64 HydrophobicContact CZ-CE1 4.29Å; E61-Y64 PolarHBondContact N-O 2.83Å; E61-Y64 WeakPolarHBondContact O-CB 3.28Å; E61-Y64 PolarHBondContact O-N 2.84Å; Y64-A81 CarbonylContact C-O 3.56Å; Y64-A81 WeakPolarHBondContact CA-O 3.32Å
65L96.6Very high95.6Very high16 Ų1636 Ų368%0.08418%0.179CC..EExtended strand (participates in β ladder)trans-132.7121.3175.6-165.660.6000109.2K60 H67 A81K60-L65 HydrophobicContact CB-CD1 3.83Å; K60-L65 HydrophobicContact CG-CD1 4.36Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.38Å; L65-A81 PolarHBondContact N-O 2.84Å; L65-A81 PolarHBondContact O-N 2.97Å
66C97.8Very high95.8Very high5 Ų535.2 Ų35.23%0.03417%0.173CC..EExtended strand (participates in β ladder)trans-102.4114.4178.9-52.60000108.6I47 S58 V59 V79 I80I47-C66 HydrophobicContact CD1-CB 3.4Å; I47-C66 VanDerWaalsContact CD1-CB 3.4Å; S58-C66 CarbonylContact C-O 3.6Å; S58-C66 VanDerWaalsContact CA-O 3.29Å; S58-C66 WeakPolarHBondContact CA-O 3.48Å; V59-C66 HydrophobicContact CB-CB 4.29Å; V59-C66 PolarHBondContact N-O 3.45Å; V59-C66 PolarHBondContact O-N 3.39Å; C66-V79 CarbonylContact C-O 3.49Å; C66-V79 WeakPolarHBondContact CA-O 3.39Å; C66-I80 HydrophobicContact CB-CG1 4.29Å
67H97.9Very high95.9Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-97.1131.3174.1-55.1-74.2000109.6S58 L65 V78 V79 S87 A90 F91 L94S58-H67 PolarHBondContact OG-ND1 2.92Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.38Å; H67-V78 WeakPolarHBondContact O-CA 3.31Å; H67-V79 HydrophobicContact CB-CG1 3.74Å; H67-V79 PolarHBondContact N-O 2.74Å; H67-V79 PolarHBondContact O-N 3.34Å; H67-S87 PolarHBondContact CE1-OG 3.44Å; H67-A90 HydrophobicContact CB-CB 4.37Å; H67-A90 WeakPolarHBondContact CD2-CB 3.44Å; H67-F91 HydrophobicContact CB-CE1 4.2Å; H67-F91 HydrophobicContact CB-CE2 4.29Å; H67-F91 HydrophobicContact CB-CZ 3.96Å; H67-F91 AromaticContact ND1-CE2 3.68Å; H67-F91 AromaticContact ND1-CZ 3.97Å; H67-L94 HydrophobicContact CB-CD1 4.33Å
68V98.2Very high96Very high0 Ų034 Ų340%017%0.168CC..EExtended strand (participates in β ladder)trans-124.2136.8177.8590000110.3I47 V48 R56 A57 V70 G77 V78 F91I47-V68 HydrophobicContact CG2-CB 3.59Å; I47-V68 HydrophobicContact CG2-CG1 3.42Å; I47-V68 VanDerWaalsContact CG2-CG1 3.42Å; I47-V68 HydrophobicContact CG2-CG2 3.99Å; V48-V68 HydrophobicContact CG2-CG2 4.07Å; R56-V68 WeakPolarHBondContact CA-O 3.42Å; A57-V68 HydrophobicContact CB-CG1 3.69Å; A57-V68 PolarHBondContact N-O 3.05Å; A57-V68 WeakPolarHBondContact O-CG1 3.37Å; A57-V68 PolarHBondContact O-N 3.08Å; V68-V70 HydrophobicContact CG2-CG2 3.86Å; V68-G77 WeakPolarHBondContact CA-O 3.28Å; V68-V78 HydrophobicContact CB-CG2 4.14Å; V68-V78 HydrophobicContact CG2-CG2 3.87Å; V68-F91 WeakPolarHBondContact O-CE1 3.42Å
69Y97.6Very high96.1Very high29 Ų2933.8 Ų33.811%0.11417%0.167CC..EExtended strand (participates in β ladder)trans-125.7116.6166176.1-147.8000109.1R56 R71 A76 G77 E95 L98R56-Y69 HydrophobicContact CG-CD2 3.38Å; R56-Y69 HydrophobicContact CG-CE2 4Å; R56-Y69 HydrophobicContact CG-CG 3.95Å; R56-Y69 PolarHBondContact NH2-OH 2.92Å; Y69-R71 HydrophobicContact CD1-CG 4.29Å; Y69-R71 HydrophobicContact CE1-CG 3.54Å; Y69-R71 HydrophobicContact CE2-CG 4.16Å; Y69-R71 VanDerWaalsContact CZ-CG 3.47Å; Y69-A76 CarbonylContact O-C 3.59Å; Y69-A76 VanDerWaalsContact O-CA 3.28Å; Y69-A76 WeakPolarHBondContact O-CA 3.36Å; Y69-G77 PolarHBondContact N-O 3Å; Y69-G77 PolarHBondContact O-N 3.28Å; Y69-E95 WeakPolarHBondContact CE1-OE2 3.46Å; Y69-L98 HydrophobicContact CD1-CD1 3.49Å; Y69-L98 VanDerWaalsContact CD1-CD1 3.49Å; Y69-L98 HydrophobicContact CE1-CD1 4.05Å; Y69-L98 HydrophobicContact CG-CD1 4.23Å
70V97.7Very high96.1Very high0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-104.9114.5172-1730000108.1K11 K53 G54 S55 V68 A76K11-V70 HydrophobicContact CB-CG1 4.37Å; K11-V70 HydrophobicContact CD-CG1 3.83Å; K53-V70 HydrophobicContact CG-CG1 4.4Å; G54-V70 CarbonylContact C-O 3.44Å; G54-V70 WeakPolarHBondContact CA-O 3.35Å; G54-V70 PolarHBondContact N-O 3.49Å; S55-V70 PolarHBondContact N-O 2.94Å; S55-V70 VanDerWaalsContact N-O 3.11Å; S55-V70 PolarHBondContact O-N 2.82Å; V68-V70 HydrophobicContact CG2-CG2 3.86Å; V70-A76 HydrophobicContact CB-CB 4.45Å; V70-A76 HydrophobicContact CG1-CB 4.36Å; V70-A76 HydrophobicContact CG2-CB 4.07Å
71R96.5Very high96.2Very high41 Ų4129.8 Ų29.816%0.15515%0.15CC..  trans-71.3165.5176.3-72.7167.950.7149.6-1111.6G54 Y69 D73 S74 L75 L98G54-R71 PolarHBondContact N-O 3.19Å; Y69-R71 HydrophobicContact CD1-CG 4.29Å; Y69-R71 HydrophobicContact CE1-CG 3.54Å; Y69-R71 HydrophobicContact CE2-CG 4.16Å; Y69-R71 VanDerWaalsContact CZ-CG 3.47Å; R71-D73 WeakPolarHBondContact CB-OD1 3.32Å; R71-D73 IonicContact CZ-OD1 3.75Å; R71-D73 IonicContact CZ-OD2 3.45Å; R71-D73 IonicContact NE-OD1 3.32Å; R71-D73 PolarHBondContact NE-OD1 2.79Å; R71-D73 IonicContact NE-OD2 4Å; R71-D73 PolarHBondContact NE-OD2 2.85Å; R71-D73 IonicContact NH2-OD2 2.74Å; R71-D73 PolarHBondContact NH2-OD2 3.41Å; R71-D73 PolarHBondContact O-N 3.31Å; R71-S74 PolarHBondContact O-N 2.84Å; R71-L75 WeakPolarHBondContact CB-O 3.43Å; R71-L75 PolarHBondContact N-O 2.79Å; R71-L98 HydrophobicContact CG-CD1 4.33Å; R71-L98 PolarHBondContact NH1-O 3.45Å
72S95.1Very high96.5Very high102 Ų10228 Ų2871%0.71314%0.142SC*.THydrogen-bonded Turntrans-65.7-27.5176.549.40000113S74S72-S74 PolarHBondContact O-N 2.8Å
73D96.2Very high96.7Very high58 Ų5824.5 Ų24.531%0.3113%0.132SC..THydrogen-bonded Turntrans-82.39.9175.461.60.9000113.8R71 L75R71-D73 WeakPolarHBondContact CB-OD1 3.32Å; R71-D73 IonicContact CZ-OD1 3.75Å; R71-D73 IonicContact CZ-OD2 3.45Å; R71-D73 IonicContact NE-OD1 3.32Å; R71-D73 PolarHBondContact NE-OD1 2.79Å; R71-D73 IonicContact NE-OD2 4Å; R71-D73 PolarHBondContact NE-OD2 2.85Å; R71-D73 IonicContact NH2-OD2 2.74Å; R71-D73 PolarHBondContact NH2-OD2 3.41Å; R71-D73 PolarHBondContact O-N 3.31Å; D73-L75 PolarHBondContact O-N 3.25Å; D73-L75 PolarHBondContact OD1-N 2.91Å
74S97.3Very high96.8Very high9 Ų925.7 Ų25.76%0.06314%0.137CC..SBendtrans71.55.3179.4-36.10000115.2K11 K53 R71 S72K11-S74 PolarHBondContact N-O 3.15Å; K11-S74 WeakPolarHBondContact O-CB 3.46Å; K53-S74 VanDerWaalsContact CE-OG 3.25Å; K53-S74 WeakPolarHBondContact CE-OG 3.37Å; K53-S74 PolarHBondContact NZ-OG 3.36Å; R71-S74 PolarHBondContact O-N 2.84Å; S72-S74 PolarHBondContact O-N 2.8Å
75L98.2Very high96.8Very high0 Ų023.1 Ų23.10%013%0.127CC..EExtended strand (participates in β ladder)trans-75.2131.3167.6-167.369.3000109.3V8 L19 R71 D73 L98 F101 W110V8-L75 HydrophobicContact CG1-CD1 3.86Å; V8-L75 HydrophobicContact CG1-CG 4.39Å; L19-L75 HydrophobicContact CD1-CD1 3.94Å; R71-L75 WeakPolarHBondContact CB-O 3.43Å; R71-L75 PolarHBondContact N-O 2.79Å; D73-L75 PolarHBondContact O-N 3.25Å; D73-L75 PolarHBondContact OD1-N 2.91Å; L75-L98 HydrophobicContact CD2-CB 4.21Å; L75-L98 HydrophobicContact CD2-CD2 3.88Å; L75-L98 HydrophobicContact CG-CD2 3.77Å; L75-F101 HydrophobicContact CD1-CD1 3.95Å; L75-F101 HydrophobicContact CD1-CE1 3.92Å; L75-F101 HydrophobicContact CD2-CD1 4.03Å; L75-W110 HydrophobicContact CB-CE3 4.35Å; L75-W110 HydrophobicContact CB-CH2 4.32Å; L75-W110 HydrophobicContact CB-CZ3 3.96Å; L75-W110 HydrophobicContact CD1-CD2 4.03Å; L75-W110 HydrophobicContact CD1-CE3 4.13Å; L75-W110 HydrophobicContact CD1-CZ2 4.47Å; L75-W110 HydrophobicContact CD1-CZ3 4.37Å; L75-W110 HydrophobicContact CD2-CH2 4.22Å; L75-W110 HydrophobicContact CD2-CZ2 4.33Å
76A98.4Very high96.6Very high0 Ų024.6 Ų24.60%014%0.138CC..EExtended strand (participates in β ladder)trans-127.9141.8-174.900000111.4V8 L9 V48 Y69 V70V8-A76 CarbonylContact C-O 3.6Å; V8-A76 WeakPolarHBondContact CA-O 3.41Å; L9-A76 HydrophobicContact CB-CB 4.42Å; L9-A76 PolarHBondContact N-O 3.38Å; L9-A76 PolarHBondContact O-N 3Å; V48-A76 HydrophobicContact CB-CB 4.42Å; V48-A76 HydrophobicContact CG1-CB 3.69Å; V48-A76 HydrophobicContact CG2-CB 3.74Å; Y69-A76 CarbonylContact O-C 3.59Å; Y69-A76 VanDerWaalsContact O-CA 3.28Å; Y69-A76 WeakPolarHBondContact O-CA 3.36Å; V70-A76 HydrophobicContact CB-CB 4.45Å; V70-A76 HydrophobicContact CG1-CB 4.36Å; V70-A76 HydrophobicContact CG2-CB 4.07Å
77G98.5Very high96.4Very high1 Ų126.6 Ų26.61%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-120.6136.5172.800000110.1S7 V68 Y69S7-G77 WeakPolarHBondContact O-CA 3.34Å; V68-G77 WeakPolarHBondContact CA-O 3.28Å; Y69-G77 PolarHBondContact N-O 3Å; Y69-G77 PolarHBondContact O-N 3.28Å
78V98.6Very high95.9Very high0 Ų032.7 Ų32.70%018%0.175CC..EExtended strand (participates in β ladder)trans-127.8131.9172.7-176.50000109.6L6 S7 L9 V48 H67 V68 I80L6-V78 WeakPolarHBondContact CA-O 3.21Å; S7-V78 PolarHBondContact N-O 2.94Å; S7-V78 PolarHBondContact O-N 3.47Å; S7-V78 PolarHBondContact OG-O 3.42Å; L9-V78 HydrophobicContact CD1-CB 4.4Å; L9-V78 HydrophobicContact CD1-CG2 4.01Å; V48-V78 HydrophobicContact CG2-CG2 3.53Å; H67-V78 WeakPolarHBondContact O-CA 3.31Å; V68-V78 HydrophobicContact CB-CG2 4.14Å; V68-V78 HydrophobicContact CG2-CG2 3.87Å; V78-I80 HydrophobicContact CG1-CG1 4.35Å
79V98.4Very high95.6Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-123.5130.4171.160.90000109L3 S5 L6 C66 H67 A90 L93 L94L3-V79 HydrophobicContact CD2-CG2 3.76Å; S5-V79 VanDerWaalsContact O-CA 3.31Å; S5-V79 WeakPolarHBondContact O-CA 3.47Å; S5-V79 WeakPolarHBondContact O-CG2 3.47Å; L6-V79 HydrophobicContact CD1-CB 4.13Å; L6-V79 HydrophobicContact CD1-CG2 4.5Å; C66-V79 CarbonylContact C-O 3.49Å; C66-V79 WeakPolarHBondContact CA-O 3.39Å; H67-V79 HydrophobicContact CB-CG1 3.74Å; H67-V79 PolarHBondContact N-O 2.74Å; H67-V79 PolarHBondContact O-N 3.34Å; V79-A90 HydrophobicContact CG1-CB 3.84Å; V79-L93 HydrophobicContact CG2-CD2 4.32Å; V79-L94 HydrophobicContact CB-CD2 4.01Å; V79-L94 HydrophobicContact CG1-CD1 4.07Å; V79-L94 HydrophobicContact CG1-CD2 3.95Å; V79-L94 HydrophobicContact CG1-CG 3.93Å
80I98.2Very high95.5Very high9 Ų932.4 Ų32.45%0.04618%0.177CC..EExtended strand (participates in β ladder)trans-108126.4176.4-57.6-179.7000107.9Y4 S5 M40 T43 C66 V78Y4-I80 HydrophobicContact CD2-CG2 4.46Å; Y4-I80 PolarHBondContact N-O 2.96Å; S5-I80 PolarHBondContact N-O 3.41Å; S5-I80 PolarHBondContact O-N 2.93Å; S5-I80 WeakPolarHBondContact OG-CB 3.23Å; S5-I80 WeakPolarHBondContact OG-CD1 3.38Å; S5-I80 VanDerWaalsContact OG-CG1 3.28Å; S5-I80 WeakPolarHBondContact OG-CG1 3.25Å; M40-I80 HydrophobicContact CB-CD1 3.83Å; M40-I80 HydrophobicContact CG-CD1 3.89Å; T43-I80 HydrophobicContact CG2-CD1 4.3Å; C66-I80 HydrophobicContact CB-CG1 4.29Å; V78-I80 HydrophobicContact CG1-CG1 4.35Å
81A97.3Very high95.3Very high0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-139.3170.4-174.900000111.5K2 L3 Y64 L65 Y85K2-A81 VanDerWaalsContact O-CA 3.28Å; K2-A81 WeakPolarHBondContact O-CA 3.42Å; K2-A81 WeakPolarHBondContact O-CB 3.42Å; L3-A81 HydrophobicContact CD2-CB 3.55Å; Y64-A81 CarbonylContact C-O 3.56Å; Y64-A81 WeakPolarHBondContact CA-O 3.32Å; L65-A81 PolarHBondContact N-O 2.84Å; L65-A81 PolarHBondContact O-N 2.97Å; A81-Y85 HydrophobicContact CB-CD1 4.31Å; A81-Y85 HydrophobicContact CB-CG 4.05Å
82D94.9Very high95.1Very high21 Ų2131.1 Ų31.111%0.11217%0.173CC..EExtended strand (participates in β ladder)trans-60.8148.5160.1-70.8-36.3000110.7M1 K2 Y4 E84 Y85M1-D82 VanDerWaalsContact C-OD2 3.28Å; M1-D82 VanDerWaalsContact CA-OD2 3.26Å; M1-D82 WeakPolarHBondContact CA-OD2 3.47Å; M1-D82 PolarHBondContact N-OD2 3.28Å; K2-D82 PolarHBondContact N-OD2 2.89Å; K2-D82 PolarHBondContact O-N 2.84Å; Y4-D82 VanDerWaalsContact CE2-OD1 3.31Å; Y4-D82 WeakPolarHBondContact CE2-OD1 3.24Å; Y4-D82 PolarHBondContact OH-OD1 2.95Å; D82-E84 PolarHBondContact O-N 3.42Å; D82-E84 VanDerWaalsContact O-N 3.14Å; D82-Y85 VanDerWaalsContact O-CB 3.28Å; D82-Y85 WeakPolarHBondContact O-CB 3.28Å; D82-Y85 PolarHBondContact O-N 3.27Å
83S92.7Very high95.1Very high56 Ų5626.2 Ų26.239%0.39214%0.139SC..THydrogen-bonded Turntrans-60.5-20.1172.756.80000114.7E63 Y85E63-S83 WeakPolarHBondContact O-CB 3.13Å; E63-S83 PolarHBondContact O-N 2.63Å; E63-S83 PolarHBondContact O-OG 2.79Å; E63-S83 VanDerWaalsContact O-OG 3.07Å; S83-Y85 VanDerWaalsContact C-N 3.34Å
84E92.3Very high95.1Very high135 Ų13523.5 Ų23.563%0.63112%0.124SC*.THydrogen-bonded Turntrans-77.4-18.9173.7-57.4179.1123.600113.1M1 D82M1-E84 WeakPolarHBondContact CE-O 3.43Å; M1-E84 HydrophobicContact CG-CB 3.68Å; M1-E84 PolarHBondContact N-OE2 2.95Å; D82-E84 PolarHBondContact O-N 3.42Å; D82-E84 VanDerWaalsContact O-N 3.14Å
85Y94.7Very high94.9Very high3 Ų324.4 Ų24.41%0.01213%0.127CC..SBendtrans-68.1134.8-178.4-169.9-84.3000109.9L3 A81 D82 S83 S87 V89 A90 Y130 P133L3-Y85 HydrophobicContact CD1-CE2 4.15Å; L3-Y85 HydrophobicContact CD2-CD1 3.8Å; L3-Y85 HydrophobicContact CD2-CD2 3.75Å; L3-Y85 HydrophobicContact CD2-CE1 3.69Å; L3-Y85 HydrophobicContact CD2-CE2 3.62Å; L3-Y85 HydrophobicContact CD2-CG 3.84Å; L3-Y85 HydrophobicContact CG-CD2 4.1Å; L3-Y85 HydrophobicContact CG-CE1 4.47Å; L3-Y85 HydrophobicContact CG-CE2 3.66Å; A81-Y85 HydrophobicContact CB-CD1 4.31Å; A81-Y85 HydrophobicContact CB-CG 4.05Å; D82-Y85 VanDerWaalsContact O-CB 3.28Å; D82-Y85 WeakPolarHBondContact O-CB 3.28Å; D82-Y85 PolarHBondContact O-N 3.27Å; S83-Y85 VanDerWaalsContact C-N 3.34Å; Y85-S87 PolarHBondContact O-N 2.95Å; Y85-S87 VanDerWaalsContact O-N 3.12Å; Y85-V89 HydrophobicContact CE1-CB 4.06Å; Y85-V89 HydrophobicContact CE1-CG1 4.16Å; Y85-V89 VanDerWaalsContact OH-CG1 3.29Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.44Å; Y85-A90 HydrophobicContact CD1-CB 4.13Å; Y85-A90 HydrophobicContact CE1-CB 4Å; Y85-Y130 WeakPolarHBondContact CE2-O 3.4Å; Y85-Y130 PolarHBondContact OH-O 3.5Å; Y85-P133 HydrophobicContact CD2-CG 4.23Å; Y85-P133 HydrophobicContact CE2-CG 3.7Å
86P93.1Very high94.7Very high48 Ų4826.1 Ų26.131%0.31214%0.135SC..  trans-70.8116.5-170.4-15.932.2000110.8M1 R88 V89 A90 P133M1-P86 VanDerWaalsContact CE-CD 3.5Å; M1-P86 HydrophobicContact CE-CG 3.82Å; P86-R88 PolarHBondContact O-N 2.94Å; P86-R88 VanDerWaalsContact O-N 3.08Å; P86-V89 HydrophobicContact CB-CB 4.41Å; P86-V89 HydrophobicContact CB-CG2 4.06Å; P86-V89 HydrophobicContact CG-CG2 4.42Å; P86-V89 PolarHBondContact O-N 3.22Å; P86-A90 PolarHBondContact O-N 3.29Å; P86-A90 VanDerWaalsContact O-N 3.14Å; P86-P133 HydrophobicContact CG-CB 4.29Å; P86-P133 HydrophobicContact CG-CG 4.36Å
87S91.8Very high94.6Very high47 Ų4726.1 Ų26.133%0.32914%0.135SC..Hα-helixtrans-52-38.6-178-46.40000112.8H67 Y85 V89 A90 F91H67-S87 PolarHBondContact CE1-OG 3.44Å; Y85-S87 PolarHBondContact O-N 2.95Å; Y85-S87 VanDerWaalsContact O-N 3.12Å; S87-V89 VanDerWaalsContact C-N 3.32Å; S87-V89 PolarHBondContact O-N 3.38Å; S87-A90 WeakPolarHBondContact O-CB 3.45Å; S87-A90 PolarHBondContact O-N 3.36Å; S87-A90 VanDerWaalsContact O-N 3.16Å; S87-F91 WeakPolarHBondContact O-CD2 3.38Å; S87-F91 PolarHBondContact O-N 3.03Å
88R88.9Confident94.5Very high128 Ų12826.1 Ų26.148%0.48314%0.135SC..Hα-helixtrans-57.4-43.7177.2178-179.2-79.8-159.9-7.1112.6P86 T92 Q143 D147P86-R88 PolarHBondContact O-N 2.94Å; P86-R88 VanDerWaalsContact O-N 3.08Å; R88-T92 WeakPolarHBondContact O-CB 3.23Å; R88-T92 PolarHBondContact O-N 3.35Å; R88-T92 PolarHBondContact O-OG1 3.45Å; R88-Q143 VanDerWaalsContact CD-NE2 3.29Å; R88-D147 IonicContact CZ-OD1 2.62Å; R88-D147 IonicContact NE-OD1 3.93Å; R88-D147 IonicContact NH2-OD1 2.73Å; R88-D147 PolarHBondContact NH2-OD1 2.81Å; R88-D147 IonicContact NH2-OD2 2.75Å
89V92.1Very high94.3Very high23 Ų2329 Ų2914%0.13915%0.15CC..Hα-helixtrans-70.9-37.2178.3-178.50000110Y85 P86 S87 T92 L93 Y130 P133 A136Y85-V89 HydrophobicContact CE1-CB 4.06Å; Y85-V89 HydrophobicContact CE1-CG1 4.16Å; Y85-V89 VanDerWaalsContact OH-CG1 3.29Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.44Å; P86-V89 HydrophobicContact CB-CB 4.41Å; P86-V89 HydrophobicContact CB-CG2 4.06Å; P86-V89 HydrophobicContact CG-CG2 4.42Å; P86-V89 PolarHBondContact O-N 3.22Å; S87-V89 VanDerWaalsContact C-N 3.32Å; S87-V89 PolarHBondContact O-N 3.38Å; V89-T92 PolarHBondContact O-N 2.92Å; V89-L93 WeakPolarHBondContact O-CB 3.49Å; V89-L93 PolarHBondContact O-N 2.53Å; V89-Y130 HydrophobicContact CG1-CD1 3.97Å; V89-Y130 HydrophobicContact CG1-CE1 4.32Å; V89-P133 HydrophobicContact CG1-CB 4.27Å; V89-P133 HydrophobicContact CG2-CB 4.26Å; V89-A136 HydrophobicContact CG1-CB 3.63Å
90A94.6Very high94.2Very high0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-61.3-47.117600000112.1H67 V79 Y85 P86 S87 T92 L93 L94H67-A90 HydrophobicContact CB-CB 4.37Å; H67-A90 WeakPolarHBondContact CD2-CB 3.44Å; V79-A90 HydrophobicContact CG1-CB 3.84Å; Y85-A90 HydrophobicContact CD1-CB 4.13Å; Y85-A90 HydrophobicContact CE1-CB 4Å; P86-A90 PolarHBondContact O-N 3.29Å; P86-A90 VanDerWaalsContact O-N 3.14Å; S87-A90 WeakPolarHBondContact O-CB 3.45Å; S87-A90 PolarHBondContact O-N 3.36Å; S87-A90 VanDerWaalsContact O-N 3.16Å; A90-T92 VanDerWaalsContact C-N 3.35Å; A90-T92 PolarHBondContact O-N 2.99Å; A90-L93 WeakPolarHBondContact O-CB 3.34Å; A90-L93 PolarHBondContact O-N 3.16Å; A90-L94 WeakPolarHBondContact O-CG 3.17Å; A90-L94 PolarHBondContact O-N 3.22Å
91F94Very high94.2Very high1 Ų131 Ų310%0.00416%0.16CC..Hα-helixtrans-67.8-33.9176-75.8-68.5000113.1R56 H67 V68 S87 L93 L94 E95 L146 I151R56-F91 HydrophobicContact CB-CD1 4.41Å; R56-F91 HydrophobicContact CB-CE1 3.83Å; R56-F91 HydrophobicContact CB-CZ 4.33Å; R56-F91 HydrophobicContact CG-CD1 4.3Å; R56-F91 HydrophobicContact CG-CE1 4.15Å; H67-F91 HydrophobicContact CB-CE1 4.2Å; H67-F91 HydrophobicContact CB-CE2 4.29Å; H67-F91 HydrophobicContact CB-CZ 3.96Å; H67-F91 AromaticContact ND1-CE2 3.68Å; H67-F91 AromaticContact ND1-CZ 3.97Å; V68-F91 WeakPolarHBondContact O-CE1 3.42Å; S87-F91 WeakPolarHBondContact O-CD2 3.38Å; S87-F91 PolarHBondContact O-N 3.03Å; F91-L93 VanDerWaalsContact C-N 3.31Å; F91-L93 PolarHBondContact O-N 3.26Å; F91-L94 HydrophobicContact CD1-CD1 4.08Å; F91-L94 HydrophobicContact CE1-CD1 4.36Å; F91-L94 PolarHBondContact O-N 3.42Å; F91-E95 PolarHBondContact O-N 3.29Å; F91-L146 HydrophobicContact CB-CD1 3.75Å; F91-L146 HydrophobicContact CB-CD2 3.63Å; F91-L146 HydrophobicContact CB-CG 4.37Å; F91-L146 HydrophobicContact CG-CD2 4.26Å; F91-I151 HydrophobicContact CD2-CD1 3.77Å; F91-I151 HydrophobicContact CE2-CD1 3.55Å; F91-I151 HydrophobicContact CE2-CG1 4.02Å; F91-I151 HydrophobicContact CE2-CG2 3.86Å; F91-I151 HydrophobicContact CZ-CD1 4.29Å; F91-I151 HydrophobicContact CZ-CG1 4.26Å; F91-I151 HydrophobicContact CZ-CG2 3.77Å
92T92.3Very high94.2Very high12 Ų1232.7 Ų32.77%0.07417%0.171CC..Hα-helixtrans-62.1-41.8173.4-57.80000111.2R88 V89 A90 E95 K96 V142R88-T92 WeakPolarHBondContact O-CB 3.23Å; R88-T92 PolarHBondContact O-N 3.35Å; R88-T92 PolarHBondContact O-OG1 3.45Å; V89-T92 PolarHBondContact O-N 2.92Å; A90-T92 VanDerWaalsContact C-N 3.35Å; A90-T92 PolarHBondContact O-N 2.99Å; T92-E95 PolarHBondContact O-N 3.05Å; T92-K96 PolarHBondContact O-N 3.22Å; T92-K96 VanDerWaalsContact O-N 3.12Å; T92-V142 HydrophobicContact CG2-CG1 4.29Å
93L94.4Very high94.3Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-61.1-47.7173.7169.961.5000111.3L3 L6 V79 V89 A90 F91 E95 K96 V97 H126 Y130L3-L93 HydrophobicContact CD1-CD2 3.82Å; L6-L93 HydrophobicContact CD1-CD2 4.17Å; L6-L93 HydrophobicContact CD1-CG 4.21Å; L6-L93 HydrophobicContact CD2-CD1 4.15Å; L6-L93 HydrophobicContact CD2-CD2 4.28Å; L6-L93 HydrophobicContact CD2-CG 4.39Å; V79-L93 HydrophobicContact CG2-CD2 4.32Å; V89-L93 WeakPolarHBondContact O-CB 3.49Å; V89-L93 PolarHBondContact O-N 2.53Å; A90-L93 WeakPolarHBondContact O-CB 3.34Å; A90-L93 PolarHBondContact O-N 3.16Å; F91-L93 VanDerWaalsContact C-N 3.31Å; F91-L93 PolarHBondContact O-N 3.26Å; L93-E95 PolarHBondContact O-N 3.04Å; L93-K96 PolarHBondContact O-N 3.2Å; L93-V97 HydrophobicContact CD1-CG2 3.69Å; L93-V97 HydrophobicContact CG-CG2 4.41Å; L93-V97 WeakPolarHBondContact O-CB 3.28Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.43Å; L93-V97 PolarHBondContact O-N 3.43Å; L93-H126 HydrophobicContact CD1-CB 4Å; L93-Y130 HydrophobicContact CB-CD1 3.8Å; L93-Y130 HydrophobicContact CB-CE1 3.87Å; L93-Y130 HydrophobicContact CB-CG 4.34Å; L93-Y130 HydrophobicContact CD1-CD1 4.11Å; L93-Y130 HydrophobicContact CD1-CD2 3.77Å; L93-Y130 HydrophobicContact CD1-CE1 4.28Å; L93-Y130 HydrophobicContact CD1-CE2 3.96Å; L93-Y130 HydrophobicContact CD1-CG 3.84Å; L93-Y130 HydrophobicContact CD2-CD1 4.31Å; L93-Y130 HydrophobicContact CD2-CG 4.14Å; L93-Y130 HydrophobicContact CG-CD1 4.29Å; L93-Y130 HydrophobicContact CG-CG 4.33Å
94L96.3Very high94.4Very high1 Ų141.7 Ų41.71%0.00520%0.204CC..Hα-helixtrans-58.3-46.5178.1-68.6-178.9000111.8L6 H67 V79 A90 F91 K96 V97 L98L6-L94 HydrophobicContact CD1-CD2 3.95Å; H67-L94 HydrophobicContact CB-CD1 4.33Å; V79-L94 HydrophobicContact CB-CD2 4.01Å; V79-L94 HydrophobicContact CG1-CD1 4.07Å; V79-L94 HydrophobicContact CG1-CD2 3.95Å; V79-L94 HydrophobicContact CG1-CG 3.93Å; A90-L94 WeakPolarHBondContact O-CG 3.17Å; A90-L94 PolarHBondContact O-N 3.22Å; F91-L94 HydrophobicContact CD1-CD1 4.08Å; F91-L94 HydrophobicContact CE1-CD1 4.36Å; F91-L94 PolarHBondContact O-N 3.42Å; L94-K96 PolarHBondContact O-N 3.16Å; L94-V97 PolarHBondContact O-N 3.03Å; L94-L98 WeakPolarHBondContact O-CB 3.49Å; L94-L98 WeakPolarHBondContact O-CD1 3.21Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 3.04Å
95E93.3Very high94.6Very high27 Ų2735.8 Ų35.813%0.12618%0.177CC..Hα-helixtrans-58.9-49.9179.1-165.266.6-133.900111.5R56 Y69 F91 T92 L93 V97 L98 D99 V142R56-E95 IonicContact CZ-OE2 4Å; R56-E95 IonicContact NH2-OE2 2.7Å; R56-E95 PolarHBondContact NH2-OE2 3.46Å; Y69-E95 WeakPolarHBondContact CE1-OE2 3.46Å; F91-E95 PolarHBondContact O-N 3.29Å; T92-E95 PolarHBondContact O-N 3.05Å; L93-E95 PolarHBondContact O-N 3.04Å; E95-V97 PolarHBondContact O-N 3.34Å; E95-L98 PolarHBondContact O-N 3.12Å; E95-D99 WeakPolarHBondContact O-CB 3.49Å; E95-D99 PolarHBondContact O-N 3.33Å; E95-V142 HydrophobicContact CB-CG1 4.17Å; E95-V142 HydrophobicContact CB-CG2 4.44Å; E95-V142 HydrophobicContact CG-CG1 4.22Å; E95-V142 HydrophobicContact CG-CG2 3.8Å
96K93.3Very high94.7Very high36 Ų3640.1 Ų40.116%0.15720%0.2CC..Hα-helixtrans-59-48179.6-176.1-177.8178.8113.70111.7T92 L93 L94 D99 E100 Y130 D137T92-K96 PolarHBondContact O-N 3.22Å; T92-K96 VanDerWaalsContact O-N 3.12Å; L93-K96 PolarHBondContact O-N 3.2Å; L94-K96 PolarHBondContact O-N 3.16Å; K96-D99 PolarHBondContact O-N 3.01Å; K96-E100 VanDerWaalsContact CE-OE1 3.28Å; K96-E100 WeakPolarHBondContact CE-OE1 3.43Å; K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 WeakPolarHBondContact O-CG 3.42Å; K96-E100 PolarHBondContact O-N 3.07Å; K96-Y130 WeakPolarHBondContact CD-OH 3.28Å; K96-D137 IonicContact NZ-OD2 3.99Å; K96-D137 PolarHBondContact NZ-OD2 3.49Å
97V96.2Very high94.9Very high1 Ų146.9 Ų46.91%0.00622%0.22CC..Hα-helixtrans-65.1-43.6-178.21690000111.2L6 V8 L93 L94 E95 F101 L123 H126L6-V97 HydrophobicContact CD2-CG2 4.02Å; V8-V97 HydrophobicContact CG2-CG1 3.67Å; L93-V97 HydrophobicContact CD1-CG2 3.69Å; L93-V97 HydrophobicContact CG-CG2 4.41Å; L93-V97 WeakPolarHBondContact O-CB 3.28Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.43Å; L93-V97 PolarHBondContact O-N 3.43Å; L94-V97 PolarHBondContact O-N 3.03Å; E95-V97 PolarHBondContact O-N 3.34Å; V97-F101 WeakPolarHBondContact O-CB 3.24Å; V97-F101 PolarHBondContact O-N 3.48Å; V97-L123 HydrophobicContact CG1-CD1 3.44Å; V97-L123 VanDerWaalsContact CG1-CD1 3.44Å; V97-L123 HydrophobicContact CG2-CD1 4.48Å; V97-H126 HydrophobicContact CG2-CB 4.18Å
98L97.3Very high95.1Very high1 Ų150.6 Ų50.61%0.00524%0.235CC..Hα-helixtrans-68.5-39.1-179.5-65.6168.7000111.9V8 Y69 R71 L75 L94 E95 S102V8-L98 HydrophobicContact CG1-CD2 4.08Å; Y69-L98 HydrophobicContact CD1-CD1 3.49Å; Y69-L98 VanDerWaalsContact CD1-CD1 3.49Å; Y69-L98 HydrophobicContact CE1-CD1 4.05Å; Y69-L98 HydrophobicContact CG-CD1 4.23Å; R71-L98 HydrophobicContact CG-CD1 4.33Å; R71-L98 PolarHBondContact NH1-O 3.45Å; L75-L98 HydrophobicContact CD2-CB 4.21Å; L75-L98 HydrophobicContact CD2-CD2 3.88Å; L75-L98 HydrophobicContact CG-CD2 3.77Å; L94-L98 WeakPolarHBondContact O-CB 3.49Å; L94-L98 WeakPolarHBondContact O-CD1 3.21Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 3.04Å; E95-L98 PolarHBondContact O-N 3.12Å; L98-S102 WeakPolarHBondContact O-CB 3.4Å; L98-S102 PolarHBondContact O-N 2.87Å; L98-S102 PolarHBondContact O-OG 2.97Å
99D95Very high95.4Very high61 Ų6148.1 Ų48.133%0.32623%0.231SC..Hα-helixtrans-62.2-51.9173.7178.558.2000111.3E95 K96 F101 S102 K103E95-D99 WeakPolarHBondContact O-CB 3.49Å; E95-D99 PolarHBondContact O-N 3.33Å; K96-D99 PolarHBondContact O-N 3.01Å; D99-F101 PolarHBondContact O-N 2.97Å; D99-S102 PolarHBondContact O-N 2.98Å; D99-S102 PolarHBondContact O-OG 2.71Å; D99-K103 VanDerWaalsContact CG-NZ 3.31Å; D99-K103 WeakPolarHBondContact O-CG 3.38Å; D99-K103 PolarHBondContact O-N 3.12Å; D99-K103 VanDerWaalsContact OD1-CE 3.28Å; D99-K103 WeakPolarHBondContact OD1-CE 3.34Å; D99-K103 IonicContact OD1-NZ 3.39Å; D99-K103 PolarHBondContact OD1-NZ 3.44Å; D99-K103 WeakPolarHBondContact OD2-CE 3.49Å; D99-K103 IonicContact OD2-NZ 3.3Å; D99-K103 PolarHBondContact OD2-NZ 2.92Å
100E95.8Very high95.6Very high51 Ų5147.6 Ų47.624%0.23823%0.227CC..Hα-helixtrans-62-41.7178-74.1-179.4-168.800112.8K96 K103 Q104 H126K96-E100 VanDerWaalsContact CE-OE1 3.28Å; K96-E100 WeakPolarHBondContact CE-OE1 3.43Å; K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 WeakPolarHBondContact O-CG 3.42Å; K96-E100 PolarHBondContact O-N 3.07Å; E100-K103 PolarHBondContact O-N 3.49Å; E100-Q104 PolarHBondContact O-N 2.7Å; E100-H126 IonicContact OE1-CE1 3.55Å; E100-H126 IonicContact OE1-NE2 2.84Å; E100-H126 IonicContact OE2-CD2 3.97Å; E100-H126 IonicContact OE2-CE1 3.58Å; E100-H126 PolarHBondContact OE2-CE1 3.39Å; E100-H126 VanDerWaalsContact OE2-CE1 3.32Å; E100-H126 IonicContact OE2-NE2 3.18Å; E100-H126 PolarHBondContact OE2-NE2 3.24Å
101F97.9Very high95.7Very high0 Ų050.4 Ų50.40%025%0.245CC..Hα-helixtrans-60.4-47.7177.4-177.2-88.2000111V8 L19 L75 V97 D99 K103 Q104 V105 W110 I118 Y120V8-F101 HydrophobicContact CB-CD2 4.46Å; V8-F101 HydrophobicContact CG1-CD1 3.96Å; V8-F101 HydrophobicContact CG1-CD2 4.14Å; V8-F101 HydrophobicContact CG1-CE1 4.05Å; V8-F101 HydrophobicContact CG1-CE2 4.22Å; V8-F101 HydrophobicContact CG1-CG 4.01Å; V8-F101 HydrophobicContact CG1-CZ 4.18Å; V8-F101 HydrophobicContact CG2-CD2 4.39Å; L19-F101 HydrophobicContact CB-CE2 4.48Å; L19-F101 HydrophobicContact CB-CZ 3.93Å; L19-F101 HydrophobicContact CD1-CE1 3.62Å; L19-F101 HydrophobicContact CD1-CZ 3.59Å; L19-F101 HydrophobicContact CG-CZ 4.39Å; L75-F101 HydrophobicContact CD1-CD1 3.95Å; L75-F101 HydrophobicContact CD1-CE1 3.92Å; L75-F101 HydrophobicContact CD2-CD1 4.03Å; V97-F101 WeakPolarHBondContact O-CB 3.24Å; V97-F101 PolarHBondContact O-N 3.48Å; D99-F101 PolarHBondContact O-N 2.97Å; F101-K103 PolarHBondContact O-N 2.96Å; F101-K103 VanDerWaalsContact O-N 3.16Å; F101-Q104 PolarHBondContact O-N 3.29Å; F101-V105 HydrophobicContact CD1-CB 4.32Å; F101-V105 HydrophobicContact CD2-CG2 4.19Å; F101-V105 HydrophobicContact CE1-CB 3.85Å; F101-V105 HydrophobicContact CE1-CG1 4.05Å; F101-V105 HydrophobicContact CE1-CG2 4.26Å; F101-V105 HydrophobicContact CE2-CB 4.29Å; F101-V105 HydrophobicContact CE2-CG2 3.79Å; F101-V105 HydrophobicContact CZ-CB 3.83Å; F101-V105 HydrophobicContact CZ-CG1 3.87Å; F101-V105 HydrophobicContact CZ-CG2 3.82Å; F101-V105 PolarHBondContact O-N 2.78Å; F101-W110 AromaticContact CE1-NE1 3.69Å; F101-I118 HydrophobicContact CE2-CG2 3.65Å; F101-I118 HydrophobicContact CZ-CG2 3.74Å; F101-Y120 HydrophobicContact CB-CE2 4.3Å; F101-Y120 AromaticContact CD2-CD1 3.92Å; F101-Y120 HydrophobicContact CD2-CD1 3.92Å; F101-Y120 AromaticContact CD2-CD2 3.9Å; F101-Y120 HydrophobicContact CD2-CD2 3.9Å; F101-Y120 HydrophobicContact CD2-CE1 4.33Å; F101-Y120 HydrophobicContact CD2-CE2 4.31Å; F101-Y120 AromaticContact CD2-CG 3.68Å; F101-Y120 HydrophobicContact CD2-CG 3.68Å; F101-Y120 HydrophobicContact CE2-CD1 4.47Å; F101-Y120 HydrophobicContact CE2-CG 4.13Å
102S96.8Very high95.7Very high35 Ų3556.1 Ų56.125%0.24528%0.28CS..Hα-helixtrans-65.3-18.2-179.269.20000114.3L98 D99L98-S102 WeakPolarHBondContact O-CB 3.4Å; L98-S102 PolarHBondContact O-N 2.87Å; L98-S102 PolarHBondContact O-OG 2.97Å; D99-S102 PolarHBondContact O-N 2.98Å; D99-S102 PolarHBondContact O-OG 2.71Å
103K96.9Very high95.8Very high149 Ų14955.9 Ų55.965%0.64828%0.279SS*.Hα-helixtrans-84.9-23.9174.2-70.5167.5180167.60113.2D99 E100 F101D99-K103 VanDerWaalsContact CG-NZ 3.31Å; D99-K103 WeakPolarHBondContact O-CG 3.38Å; D99-K103 PolarHBondContact O-N 3.12Å; D99-K103 VanDerWaalsContact OD1-CE 3.28Å; D99-K103 WeakPolarHBondContact OD1-CE 3.34Å; D99-K103 IonicContact OD1-NZ 3.39Å; D99-K103 PolarHBondContact OD1-NZ 3.44Å; D99-K103 WeakPolarHBondContact OD2-CE 3.49Å; D99-K103 IonicContact OD2-NZ 3.3Å; D99-K103 PolarHBondContact OD2-NZ 2.92Å; E100-K103 PolarHBondContact O-N 3.49Å; F101-K103 PolarHBondContact O-N 2.96Å; F101-K103 VanDerWaalsContact O-N 3.16Å
104Q96.4Very high95.8Very high117 Ų11757.7 Ų57.755%0.54729%0.292SS..Hα-helixtrans-101-34.1-176.2-67.2-177.733.800112.8E100 F101 Y120E100-Q104 PolarHBondContact O-N 2.7Å; F101-Q104 PolarHBondContact O-N 3.29Å; Q104-Y120 HydrophobicContact CB-CD2 4.49Å
105V96.8Very high95.8Very high11 Ų1160.6 Ų60.67%0.06731%0.311CS..SBendtrans-114.6118.9-175.2-177.80000109.2F101 D109 W110 I118F101-V105 HydrophobicContact CD1-CB 4.32Å; F101-V105 HydrophobicContact CD2-CG2 4.19Å; F101-V105 HydrophobicContact CE1-CB 3.85Å; F101-V105 HydrophobicContact CE1-CG1 4.05Å; F101-V105 HydrophobicContact CE1-CG2 4.26Å; F101-V105 HydrophobicContact CE2-CB 4.29Å; F101-V105 HydrophobicContact CE2-CG2 3.79Å; F101-V105 HydrophobicContact CZ-CB 3.83Å; F101-V105 HydrophobicContact CZ-CG1 3.87Å; F101-V105 HydrophobicContact CZ-CG2 3.82Å; F101-V105 PolarHBondContact O-N 2.78Å; V105-D109 HydrophobicContact CG1-CB 4.38Å; V105-W110 PolarHBondContact O-NE1 3.49Å; V105-I118 HydrophobicContact CG1-CD1 3.89Å; V105-I118 HydrophobicContact CG1-CG2 4.27Å; V105-I118 HydrophobicContact CG2-CG2 3.99Å
106D96.6Very high95.8Very high93 Ų9364 Ų6450%0.49734%0.344SS..  trans-65.5142.8-179.1-166.2-70.6000111.1I108 D109 W110D106-I108 HydrophobicContact CB-CG2 4.06Å; D106-I108 PolarHBondContact O-N 2.93Å; D106-I108 VanDerWaalsContact O-N 3.13Å; D106-I108 WeakPolarHBondContact OD1-CB 3.4Å; D106-I108 VanDerWaalsContact OD1-CG2 3.31Å; D106-I108 WeakPolarHBondContact OD1-CG2 3.38Å; D106-I108 PolarHBondContact OD1-N 3.09Å; D106-D109 PolarHBondContact O-N 3.06Å; D106-W110 PolarHBondContact O-NE1 2.98Å; D106-W110 VanDerWaalsContact O-NE1 3.17Å
107R95.8Very high95.9Very high190 Ų19066.6 Ų66.672%0.71736%0.363SS*.THydrogen-bonded Turntrans-59-22.817967.2-179.1-178-175.10.7114.4D109 W110 P111R107-D109 PolarHBondContact O-N 3.23Å; R107-W110 VanDerWaalsContact CA-CE2 3.42Å; R107-W110 HydrophobicContact CB-CD2 3.99Å; R107-W110 HydrophobicContact CB-CE3 3.96Å; R107-W110 HydrophobicContact CB-CH2 3.91Å; R107-W110 HydrophobicContact CB-CZ2 3.89Å; R107-W110 HydrophobicContact CB-CZ3 3.94Å; R107-W110 PolarHBondContact O-N 3.2Å; R107-P111 WeakPolarHBondContact O-CD 3.26Å
108I96.4Very high95.9Very high126 Ų12666.9 Ų66.965%0.64636%0.364SS*.THydrogen-bonded Turntrans-64.5-27.9176.3-161.7168.2000112D106 P111D106-I108 HydrophobicContact CB-CG2 4.06Å; D106-I108 PolarHBondContact O-N 2.93Å; D106-I108 VanDerWaalsContact O-N 3.13Å; D106-I108 WeakPolarHBondContact OD1-CB 3.4Å; D106-I108 VanDerWaalsContact OD1-CG2 3.31Å; D106-I108 WeakPolarHBondContact OD1-CG2 3.38Å; D106-I108 PolarHBondContact OD1-N 3.09Å; I108-P111 WeakPolarHBondContact O-CD 3.34Å
109D96.2Very high95.7Very high75 Ų7575.3 Ų75.340%0.40140%0.403SS..THydrogen-bonded Turntrans-85.9-18.5-177.5-60.9-38.9000112.4V105 D106 R107 V112 G113 I118V105-D109 HydrophobicContact CG1-CB 4.38Å; D106-D109 PolarHBondContact O-N 3.06Å; R107-D109 PolarHBondContact O-N 3.23Å; D109-V112 PolarHBondContact O-N 3.3Å; D109-G113 VanDerWaalsContact O-CA 3.22Å; D109-G113 WeakPolarHBondContact O-CA 3.34Å; D109-G113 PolarHBondContact O-N 2.85Å; D109-I118 HydrophobicContact CB-CD1 4.09Å
110W96.5Very high95.8Very high13 Ų1372.5 Ų72.55%0.04939%0.388CS..G310 helixtrans-63.1-42.4-174.2-54.5-7000113.9Y10 L19 L75 F101 V105 D106 R107 V112Y10-W110 HydrophobicContact CD2-CB 3.63Å; Y10-W110 AromaticContact CD2-CE3 3.98Å; Y10-W110 HydrophobicContact CD2-CE3 3.98Å; Y10-W110 HydrophobicContact CD2-CG 4.47Å; Y10-W110 HydrophobicContact CE2-CB 4.22Å; Y10-W110 HydrophobicContact CE2-CE3 4.17Å; Y10-W110 HydrophobicContact CG-CB 3.86Å; L19-W110 HydrophobicContact CD1-CB 4.13Å; L19-W110 HydrophobicContact CD1-CG 4.12Å; L19-W110 VanDerWaalsContact CD2-O 3.31Å; L19-W110 WeakPolarHBondContact CD2-O 3.29Å; L75-W110 HydrophobicContact CB-CE3 4.35Å; L75-W110 HydrophobicContact CB-CH2 4.32Å; L75-W110 HydrophobicContact CB-CZ3 3.96Å; L75-W110 HydrophobicContact CD1-CD2 4.03Å; L75-W110 HydrophobicContact CD1-CE3 4.13Å; L75-W110 HydrophobicContact CD1-CZ2 4.47Å; L75-W110 HydrophobicContact CD1-CZ3 4.37Å; L75-W110 HydrophobicContact CD2-CH2 4.22Å; L75-W110 HydrophobicContact CD2-CZ2 4.33Å; F101-W110 AromaticContact CE1-NE1 3.69Å; V105-W110 PolarHBondContact O-NE1 3.49Å; D106-W110 PolarHBondContact O-NE1 2.98Å; D106-W110 VanDerWaalsContact O-NE1 3.17Å; R107-W110 VanDerWaalsContact CA-CE2 3.42Å; R107-W110 HydrophobicContact CB-CD2 3.99Å; R107-W110 HydrophobicContact CB-CE3 3.96Å; R107-W110 HydrophobicContact CB-CH2 3.91Å; R107-W110 HydrophobicContact CB-CZ2 3.89Å; R107-W110 HydrophobicContact CB-CZ3 3.94Å; R107-W110 PolarHBondContact O-N 3.2Å; W110-V112 VanDerWaalsContact C-N 3.3Å; W110-V112 PolarHBondContact O-N 3.32Å
111P95.7Very high95.7Very high59 Ų5976 Ų7638%0.38341%0.413SS..G310 helixtrans-68.1-26.5-177.3-2234.9000114.7Y10 R107 I108Y10-P111 HydrophobicContact CD1-CB 4.35Å; Y10-P111 HydrophobicContact CD1-CG 4.48Å; Y10-P111 HydrophobicContact CE1-CB 3.87Å; Y10-P111 HydrophobicContact CE1-CG 3.85Å; R107-P111 WeakPolarHBondContact O-CD 3.26Å; I108-P111 WeakPolarHBondContact O-CD 3.34Å
112V94.6Very high95.6Very high121 Ų12177.5 Ų77.573%0.73343%0.426SS*.G310 helixtrans-113.84-177.2-62.70000112.7D109 W110D109-V112 PolarHBondContact O-N 3.3Å; W110-V112 VanDerWaalsContact C-N 3.3Å; W110-V112 PolarHBondContact O-N 3.32Å
113G93.9Very high95.6Very high7 Ų775.9 Ų75.97%0.07241%0.414CS..  trans-67.4157.4-175.500000112.7V17 D109V17-G113 WeakPolarHBondContact CG1-O 3.49Å; D109-G113 VanDerWaalsContact O-CA 3.22Å; D109-G113 WeakPolarHBondContact O-CA 3.34Å; D109-G113 PolarHBondContact O-N 2.85Å
114S95.3Very high95.5Very high38 Ų3873.3 Ų73.327%0.26641%0.408SS..  trans-147.5163.2173.771.70000109.6L19 A116 T117 I118L19-S114 CarbonylContact O-C 3.58Å; S114-A116 PolarHBondContact O-N 2.93Å; S114-A116 PolarHBondContact OG-N 3.04Å; S114-T117 PolarHBondContact N-OG1 2.94Å; S114-T117 PolarHBondContact O-N 3.33Å; S114-T117 PolarHBondContact O-OG1 3.45Å; S114-T117 PolarHBondContact OG-N 3.18Å; S114-T117 PolarHBondContact OG-OG1 3.27Å; S114-I118 WeakPolarHBondContact O-CB 3.42Å; S114-I118 WeakPolarHBondContact O-CG1 3.44Å; S114-I118 PolarHBondContact O-N 3.31Å
115P94.4Very high95.5Very high61 Ų6170 Ų7040%0.39641%0.405SS..THydrogen-bonded Turntrans-56.9-23.5175.8-25.936.5000114.3L18 L19 K20L18-P115 HydrophobicContact CD2-CG 3.76Å; L18-P115 HydrophobicContact CG-CG 4Å; L18-P115 WeakPolarHBondContact O-CD 3.14Å; L19-P115 VanDerWaalsContact O-CA 3.27Å; L19-P115 WeakPolarHBondContact O-CA 3.3Å; K20-P115 PolarHBondContact NZ-O 3.22Å
116A93.9Very high95.4Very high99 Ų9970.4 Ų70.482%0.81841%0.406SS*.THydrogen-bonded Turntrans-85-28.9178.600000113.4S114S114-A116 PolarHBondContact O-N 2.93Å; S114-A116 PolarHBondContact OG-N 3.04Å
117T95.3Very high95.4Very high91 Ų9166.2 Ų66.256%0.55838%0.384SS*.THydrogen-bonded Turntrans-96.9-27-177.154.40000113S114 E119S114-T117 PolarHBondContact N-OG1 2.94Å; S114-T117 PolarHBondContact O-N 3.33Å; S114-T117 PolarHBondContact O-OG1 3.45Å; S114-T117 PolarHBondContact OG-N 3.18Å; S114-T117 PolarHBondContact OG-OG1 3.27Å; T117-E119 PolarHBondContact O-N 3.2Å
118I96.8Very high95.4Very high6 Ų661.3 Ų61.33%0.03138%0.378CS..  trans-83.2113.7179.5-60.5-57.5000110.3L19 K20 F101 V105 D109 S114 Y120L19-I118 HydrophobicContact CB-CG1 4.23Å; L19-I118 HydrophobicContact CD2-CG1 4.22Å; K20-I118 PolarHBondContact NZ-O 3.42Å; F101-I118 HydrophobicContact CE2-CG2 3.65Å; F101-I118 HydrophobicContact CZ-CG2 3.74Å; V105-I118 HydrophobicContact CG1-CD1 3.89Å; V105-I118 HydrophobicContact CG1-CG2 4.27Å; V105-I118 HydrophobicContact CG2-CG2 3.99Å; D109-I118 HydrophobicContact CB-CD1 4.09Å; S114-I118 WeakPolarHBondContact O-CB 3.42Å; S114-I118 WeakPolarHBondContact O-CG1 3.44Å; S114-I118 PolarHBondContact O-N 3.31Å; I118-Y120 PolarHBondContact O-N 2.82Å
119E93.7Very high95.2Very high178 Ų17859.9 Ų59.983%0.83237%0.365SS*.  trans-86.785.2175.5-65-169.717200110.8T117T117-E119 PolarHBondContact O-N 3.2Å
120Y95.3Very high95.2Very high2 Ų256.4 Ų56.41%0.00835%0.346CS..  trans-138.3113.9171.5-176.9-100.3000109.2K20 F101 Q104 I118 A122 L123K20-Y120 VanDerWaalsContact CE-O 3.28Å; K20-Y120 WeakPolarHBondContact CE-O 3.18Å; F101-Y120 HydrophobicContact CB-CE2 4.3Å; F101-Y120 AromaticContact CD2-CD1 3.92Å; F101-Y120 HydrophobicContact CD2-CD1 3.92Å; F101-Y120 AromaticContact CD2-CD2 3.9Å; F101-Y120 HydrophobicContact CD2-CD2 3.9Å; F101-Y120 HydrophobicContact CD2-CE1 4.33Å; F101-Y120 HydrophobicContact CD2-CE2 4.31Å; F101-Y120 AromaticContact CD2-CG 3.68Å; F101-Y120 HydrophobicContact CD2-CG 3.68Å; F101-Y120 HydrophobicContact CE2-CD1 4.47Å; F101-Y120 HydrophobicContact CE2-CG 4.13Å; Q104-Y120 HydrophobicContact CB-CD2 4.49Å; I118-Y120 PolarHBondContact O-N 2.82Å; Y120-A122 HydrophobicContact CE1-CB 4.12Å; Y120-A122 HydrophobicContact CE2-CB 4.12Å; Y120-L123 HydrophobicContact CD1-CB 4.03Å; Y120-L123 HydrophobicContact CD1-CD1 4.49Å; Y120-L123 HydrophobicContact CE1-CB 3.85Å; Y120-L123 HydrophobicContact CE1-CD1 3.86Å; Y120-L123 HydrophobicContact CE1-CG 4.43Å
121T94.6Very high95.1Very high125 Ų12558 Ų5877%0.76735%0.354SS*.  trans-108.1-8.6-171.855.30000113.7L123T121-L123 PolarHBondContact O-N 3.21Å
122A95.8Very high94.8Very high31 Ų3158.2 Ų58.226%0.25635%0.352SS..Hα-helixtrans-73.3-14.8-17600000113.7Y120 D124 G125 H126Y120-A122 HydrophobicContact CE1-CB 4.12Å; Y120-A122 HydrophobicContact CE2-CB 4.12Å; A122-D124 PolarHBondContact O-N 2.7Å; A122-G125 PolarHBondContact O-N 3.01Å; A122-H126 PolarHBondContact O-CD2 3.31Å; A122-H126 PolarHBondContact O-N 3.46Å
123L95.9Very high94.5Very high1 Ų153.9 Ų53.91%0.00533%0.326CS..Hα-helixtrans-63-42.1-171.6-153.667.5000113.1L6 V8 K20 A21 A22 V97 Y120 T121 H126 L127L6-L123 HydrophobicContact CD2-CD1 3.61Å; L6-L123 HydrophobicContact CD2-CG 3.98Å; L6-L123 HydrophobicContact CG-CD1 3.75Å; L6-L123 HydrophobicContact CG-CG 4.1Å; L6-L123 WeakPolarHBondContact O-CD2 3.19Å; V8-L123 HydrophobicContact CG2-CD1 4.04Å; K20-L123 HydrophobicContact CB-CD2 4.06Å; K20-L123 HydrophobicContact CG-CD2 4.15Å; A21-L123 VanDerWaalsContact CA-CD2 3.47Å; A22-L123 HydrophobicContact CB-CB 4.13Å; A22-L123 HydrophobicContact CB-CD2 4.14Å; A22-L123 HydrophobicContact CB-CG 3.92Å; V97-L123 HydrophobicContact CG1-CD1 3.44Å; V97-L123 VanDerWaalsContact CG1-CD1 3.44Å; V97-L123 HydrophobicContact CG2-CD1 4.48Å; Y120-L123 HydrophobicContact CD1-CB 4.03Å; Y120-L123 HydrophobicContact CD1-CD1 4.49Å; Y120-L123 HydrophobicContact CE1-CB 3.85Å; Y120-L123 HydrophobicContact CE1-CD1 3.86Å; Y120-L123 HydrophobicContact CE1-CG 4.43Å; T121-L123 PolarHBondContact O-N 3.21Å; L123-H126 PolarHBondContact O-N 2.97Å; L123-L127 WeakPolarHBondContact O-CB 2.99Å; L123-L127 PolarHBondContact O-N 2.98Å
124D96.1Very high94Very high96 Ų9664.4 Ų64.451%0.51336%0.364SS..Hα-helixtrans-65.6-39.2176.4-66-82.1000112.1A22 A122 L127 S128A22-D124 HydrophobicContact CB-CB 4.46Å; A22-D124 WeakPolarHBondContact CB-OD1 3.46Å; A122-D124 PolarHBondContact O-N 2.7Å; D124-L127 PolarHBondContact O-N 3.45Å; D124-S128 WeakPolarHBondContact O-CB 3.42Å; D124-S128 PolarHBondContact O-N 2.84Å
125G95.9Very high93.2Very high47 Ų4767.1 Ų67.149%0.48537%0.372SS..Hα-helixtrans-64-43.2175.900000112.1A122 S128 R129A122-G125 PolarHBondContact O-N 3.01Å; G125-S128 PolarHBondContact O-N 3.3Å; G125-R129 VanDerWaalsContact O-CB 3.32Å; G125-R129 WeakPolarHBondContact O-CB 3.39Å; G125-R129 PolarHBondContact O-N 2.9Å
126H95.6Very high92.2Very high20 Ų2065.1 Ų65.19%0.09336%0.361CS..Hα-helixtrans-63.4-47.5174.4-73.2-52.8000111.8L6 L93 V97 E100 A122 L123 S128 R129 Y130L6-H126 HydrophobicContact CD2-CB 4.13Å; L93-H126 HydrophobicContact CD1-CB 4Å; V97-H126 HydrophobicContact CG2-CB 4.18Å; E100-H126 IonicContact OE1-CE1 3.55Å; E100-H126 IonicContact OE1-NE2 2.84Å; E100-H126 IonicContact OE2-CD2 3.97Å; E100-H126 IonicContact OE2-CE1 3.58Å; E100-H126 PolarHBondContact OE2-CE1 3.39Å; E100-H126 VanDerWaalsContact OE2-CE1 3.32Å; E100-H126 IonicContact OE2-NE2 3.18Å; E100-H126 PolarHBondContact OE2-NE2 3.24Å; A122-H126 PolarHBondContact O-CD2 3.31Å; A122-H126 PolarHBondContact O-N 3.46Å; L123-H126 PolarHBondContact O-N 2.97Å; H126-S128 VanDerWaalsContact C-N 3.31Å; H126-S128 PolarHBondContact O-N 3.35Å; H126-R129 PolarHBondContact O-N 2.88Å; H126-Y130 WeakPolarHBondContact O-CB 3.46Å; H126-Y130 VanDerWaalsContact O-CD2 3.28Å; H126-Y130 WeakPolarHBondContact O-CD2 3.15Å; H126-Y130 PolarHBondContact O-N 3.2Å
127L96Very high90.9Very high5 Ų563.2 Ų63.23%0.02634%0.337CS..Hα-helixtrans-58.7-43.5177.9-179.962.6000111.6L3 L6 A22 D24 L123 D124 Q131L3-L127 HydrophobicContact CB-CD1 3.51Å; L3-L127 HydrophobicContact CD1-CD1 4.1Å; L3-L127 HydrophobicContact CG-CD1 4.46Å; L6-L127 HydrophobicContact CB-CB 4.37Å; L6-L127 HydrophobicContact CB-CD1 4.05Å; L6-L127 HydrophobicContact CD2-CB 4.38Å; A22-L127 HydrophobicContact CB-CB 4.24Å; A22-L127 HydrophobicContact CB-CD2 3.83Å; D24-L127 HydrophobicContact CB-CD2 4.33Å; L123-L127 WeakPolarHBondContact O-CB 2.99Å; L123-L127 PolarHBondContact O-N 2.98Å; D124-L127 PolarHBondContact O-N 3.45Å; L127-Q131 WeakPolarHBondContact O-CG 3.29Å; L127-Q131 PolarHBondContact O-N 2.81Å
128S95.4Very high89.2Confident86 Ų8664.7 Ų64.760%0.60135%0.348SS*.Hα-helixtrans-66.9-48.2179.1-179.50000112.5D124 G125 H126 Y130 Q131D124-S128 WeakPolarHBondContact O-CB 3.42Å; D124-S128 PolarHBondContact O-N 2.84Å; G125-S128 PolarHBondContact O-N 3.3Å; H126-S128 VanDerWaalsContact C-N 3.31Å; H126-S128 PolarHBondContact O-N 3.35Å; S128-Y130 VanDerWaalsContact C-N 3.34Å; S128-Y130 PolarHBondContact O-N 3.01Å; S128-Q131 WeakPolarHBondContact O-CB 3.4Å; S128-Q131 WeakPolarHBondContact O-CG 3.44Å; S128-Q131 PolarHBondContact O-N 3.32Å
129R93.2Very high87.6Confident97 Ų9768.2 Ų68.237%0.36637%0.365SS..Hα-helixtrans-62.5-41-179.6-177.7176.4174.5-164.8-9.1112G125 H126 Q131 N132 E135 D137G125-R129 VanDerWaalsContact O-CB 3.32Å; G125-R129 WeakPolarHBondContact O-CB 3.39Å; G125-R129 PolarHBondContact O-N 2.9Å; H126-R129 PolarHBondContact O-N 2.88Å; R129-Q131 PolarHBondContact O-N 2.79Å; R129-N132 PolarHBondContact O-N 3.48Å; R129-E135 HydrophobicContact CG-CB 4.33Å; R129-E135 PolarHBondContact NE-O 3.28Å; R129-E135 PolarHBondContact NH2-O 2.63Å; R129-D137 IonicContact CZ-OD1 2.81Å; R129-D137 IonicContact CZ-OD2 3.51Å; R129-D137 IonicContact NH1-OD1 3.35Å; R129-D137 IonicContact NH1-OD2 2.93Å; R129-D137 PolarHBondContact NH1-OD2 3.37Å; R129-D137 VanDerWaalsContact NH2-CG 3.32Å; R129-D137 IonicContact NH2-OD1 3.27Å; R129-D137 PolarHBondContact NH2-OD1 2.98Å; R129-D137 IonicContact NH2-OD2 3.99Å; R129-D137 PolarHBondContact NH2-OD2 3.49Å
130Y94.4Very high86.2Confident1 Ų164.5 Ų64.50%0.00436%0.359CS..THydrogen-bonded Turntrans-801-178.8-78.9-107.4000113.6Y85 V89 L93 K96 H126 S128 N132 A136Y85-Y130 WeakPolarHBondContact CE2-O 3.4Å; Y85-Y130 PolarHBondContact OH-O 3.5Å; V89-Y130 HydrophobicContact CG1-CD1 3.97Å; V89-Y130 HydrophobicContact CG1-CE1 4.32Å; L93-Y130 HydrophobicContact CB-CD1 3.8Å; L93-Y130 HydrophobicContact CB-CE1 3.87Å; L93-Y130 HydrophobicContact CB-CG 4.34Å; L93-Y130 HydrophobicContact CD1-CD1 4.11Å; L93-Y130 HydrophobicContact CD1-CD2 3.77Å; L93-Y130 HydrophobicContact CD1-CE1 4.28Å; L93-Y130 HydrophobicContact CD1-CE2 3.96Å; L93-Y130 HydrophobicContact CD1-CG 3.84Å; L93-Y130 HydrophobicContact CD2-CD1 4.31Å; L93-Y130 HydrophobicContact CD2-CG 4.14Å; L93-Y130 HydrophobicContact CG-CD1 4.29Å; L93-Y130 HydrophobicContact CG-CG 4.33Å; K96-Y130 WeakPolarHBondContact CD-OH 3.28Å; H126-Y130 WeakPolarHBondContact O-CB 3.46Å; H126-Y130 VanDerWaalsContact O-CD2 3.28Å; H126-Y130 WeakPolarHBondContact O-CD2 3.15Å; H126-Y130 PolarHBondContact O-N 3.2Å; S128-Y130 VanDerWaalsContact C-N 3.34Å; S128-Y130 PolarHBondContact O-N 3.01Å; Y130-N132 PolarHBondContact O-N 2.75Å; Y130-A136 HydrophobicContact CD1-CB 3.9Å; Y130-A136 HydrophobicContact CE1-CB 3.48Å; Y130-A136 VanDerWaalsContact CE1-CB 3.48Å
131Q94.9Very high84.8Confident46 Ų4672.5 Ų72.522%0.21539%0.394CS..THydrogen-bonded Turntrans-57.9-29.4165.9-68.3-61.3-14.500111.8L3 D24 L127 S128 R129 P133L3-Q131 PolarHBondContact O-NE2 3.4Å; D24-Q131 PolarHBondContact OD2-NE2 3.48Å; L127-Q131 WeakPolarHBondContact O-CG 3.29Å; L127-Q131 PolarHBondContact O-N 2.81Å; S128-Q131 WeakPolarHBondContact O-CB 3.4Å; S128-Q131 WeakPolarHBondContact O-CG 3.44Å; S128-Q131 PolarHBondContact O-N 3.32Å; R129-Q131 PolarHBondContact O-N 2.79Å; Q131-P133 WeakPolarHBondContact O-CD 3.4Å
132N90.8Very high83.5Confident64 Ų6467 Ų6734%0.34236%0.36SS..SBendtrans-101.4104.8170.4-175.9-0.9000110R129 Y130 R134 E135R129-N132 PolarHBondContact O-N 3.48Å; Y130-N132 PolarHBondContact O-N 2.75Å; N132-R134 PolarHBondContact O-N 3.32Å; N132-R134 WeakPolarHBondContact OD1-CB 3.3Å; N132-R134 PolarHBondContact OD1-N 3.28Å; N132-E135 HydrophobicContact CB-CB 4.48Å; N132-E135 HydrophobicContact CB-CG 4.15Å; N132-E135 PolarHBondContact ND2-OE1 3.45Å; N132-E135 PolarHBondContact O-N 2.75Å
133P87.1Confident82.2Confident30 Ų3067.9 Ų67.920%0.19536%0.359CS..G310 helixtrans-59.1-19.5-178.3-24.733.2000114.6M1 Y85 P86 V89 Q131 E135 A136M1-P133 HydrophobicContact CE-CG 4.03Å; Y85-P133 HydrophobicContact CD2-CG 4.23Å; Y85-P133 HydrophobicContact CE2-CG 3.7Å; P86-P133 HydrophobicContact CG-CB 4.29Å; P86-P133 HydrophobicContact CG-CG 4.36Å; V89-P133 HydrophobicContact CG1-CB 4.27Å; V89-P133 HydrophobicContact CG2-CB 4.26Å; Q131-P133 WeakPolarHBondContact O-CD 3.4Å; P133-E135 VanDerWaalsContact C-N 3.31Å; P133-A136 VanDerWaalsContact O-CB 3.3Å; P133-A136 WeakPolarHBondContact O-CB 3.43Å; P133-A136 PolarHBondContact O-N 2.99Å
134R84.4Confident81.2Confident228 Ų22870.2 Ų70.286%0.8638%0.378SS*.G310 helixtrans-74.8-20.7177.8-62.1-178175.4179.1-0.4113.2N132 A136N132-R134 PolarHBondContact O-N 3.32Å; N132-R134 WeakPolarHBondContact OD1-CB 3.3Å; N132-R134 PolarHBondContact OD1-N 3.28Å; R134-A136 VanDerWaalsContact C-N 3.28Å
135E77Confident80Confident96 Ų9670.4 Ų70.445%0.44938%0.376SS..G310 helixtrans-87.1-3.8177.7-68.8176.5-145.200112.7R129 N132 P133 D137R129-E135 HydrophobicContact CG-CB 4.33Å; R129-E135 PolarHBondContact NE-O 3.28Å; R129-E135 PolarHBondContact NH2-O 2.63Å; N132-E135 HydrophobicContact CB-CB 4.48Å; N132-E135 HydrophobicContact CB-CG 4.15Å; N132-E135 PolarHBondContact ND2-OE1 3.45Å; N132-E135 PolarHBondContact O-N 2.75Å; P133-E135 VanDerWaalsContact C-N 3.31Å; E135-D137 PolarHBondContact O-N 2.62Å
136A73.1Confident78.9Confident18 Ų1868.7 Ų68.715%0.14936%0.356CS..SBendtrans-64122.6171.200000109.6V89 Y130 P133 R134V89-A136 HydrophobicContact CG1-CB 3.63Å; Y130-A136 HydrophobicContact CD1-CB 3.9Å; Y130-A136 HydrophobicContact CE1-CB 3.48Å; Y130-A136 VanDerWaalsContact CE1-CB 3.48Å; P133-A136 VanDerWaalsContact O-CB 3.3Å; P133-A136 WeakPolarHBondContact O-CB 3.43Å; P133-A136 PolarHBondContact O-N 2.99Å; R134-A136 VanDerWaalsContact C-N 3.28Å
137D67.4Low77.8Confident60 Ų6072.3 Ų72.332%0.32138%0.376SS..  trans-60.4128.3178.6-62.4-50.5000109.7K96 R129 E135 M139K96-D137 IonicContact NZ-OD2 3.99Å; K96-D137 PolarHBondContact NZ-OD2 3.49Å; R129-D137 IonicContact CZ-OD1 2.81Å; R129-D137 IonicContact CZ-OD2 3.51Å; R129-D137 IonicContact NH1-OD1 3.35Å; R129-D137 IonicContact NH1-OD2 2.93Å; R129-D137 PolarHBondContact NH1-OD2 3.37Å; R129-D137 VanDerWaalsContact NH2-CG 3.32Å; R129-D137 IonicContact NH2-OD1 3.27Å; R129-D137 PolarHBondContact NH2-OD1 2.98Å; R129-D137 IonicContact NH2-OD2 3.99Å; R129-D137 PolarHBondContact NH2-OD2 3.49Å; E135-D137 PolarHBondContact O-N 2.62Å; D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 3.45Å
138P58.9Low76.6Confident121 Ų12180 Ų8079%0.78641%0.412SS*.  trans-72.584177.527.8-32.5000110.2S140P138-S140 PolarHBondContact O-N 3.39Å
139M64.6Low75.7Confident80 Ų8078.1 Ų78.139%0.39440%0.397SS..  trans-80.587.9176.2-163.1143.57700109.4D137 K141 V142 Q143D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 3.45Å; M139-K141 PolarHBondContact O-N 3.42Å; M139-V142 HydrophobicContact CB-CB 4.23Å; M139-V142 HydrophobicContact CB-CG2 4.39Å; M139-V142 HydrophobicContact CE-CB 4.2Å; M139-V142 HydrophobicContact CE-CG2 3.25Å; M139-V142 HydrophobicContact CG-CB 4.23Å; M139-V142 HydrophobicContact CG-CG2 3.93Å; M139-V142 PolarHBondContact O-N 2.86Å; M139-V142 HydrophobicContact SD-CG2 4.34Å; M139-Q143 PolarHBondContact O-N 2.68Å
140S63.8Low75.2Confident100 Ų10082.7 Ų82.770%0.69942%0.419SS*.Hα-helixtrans-54.7-29.3-172.1-61.70000114.1P138 A144P138-S140 PolarHBondContact O-N 3.39Å; S140-A144 PolarHBondContact O-N 2.97Å
141K64.9Low75Confident171 Ų17185.9 Ų85.974%0.74344%0.435SS*.Hα-helixtrans-72-47.5176.2-69-174.9178-177.50112.8M139 Q143 A144 E145M139-K141 PolarHBondContact O-N 3.42Å; K141-Q143 PolarHBondContact O-N 2.95Å; K141-A144 PolarHBondContact O-N 3.07Å; K141-E145 PolarHBondContact O-N 2.73Å; K141-E145 VanDerWaalsContact O-N 3.12Å
142V68.7Low74.9Confident10 Ų1087.8 Ų87.86%0.06145%0.446CS..Hα-helixtrans-62.1-35175.2170.80000110.5T92 E95 M139 A144 E145 L146T92-V142 HydrophobicContact CG2-CG1 4.29Å; E95-V142 HydrophobicContact CB-CG1 4.17Å; E95-V142 HydrophobicContact CB-CG2 4.44Å; E95-V142 HydrophobicContact CG-CG1 4.22Å; E95-V142 HydrophobicContact CG-CG2 3.8Å; M139-V142 HydrophobicContact CB-CB 4.23Å; M139-V142 HydrophobicContact CB-CG2 4.39Å; M139-V142 HydrophobicContact CE-CB 4.2Å; M139-V142 HydrophobicContact CE-CG2 3.25Å; M139-V142 HydrophobicContact CG-CB 4.23Å; M139-V142 HydrophobicContact CG-CG2 3.93Å; M139-V142 PolarHBondContact O-N 2.86Å; M139-V142 HydrophobicContact SD-CG2 4.34Å; V142-A144 PolarHBondContact O-N 2.97Å; V142-E145 PolarHBondContact O-N 2.98Å; V142-L146 HydrophobicContact CG1-CD1 3.87Å; V142-L146 HydrophobicContact CG1-CG 4.09Å; V142-L146 WeakPolarHBondContact O-CB 3.31Å; V142-L146 VanDerWaalsContact O-CG 3.28Å; V142-L146 WeakPolarHBondContact O-CG 3.4Å; V142-L146 PolarHBondContact O-N 2.92Å
143Q68.4Low75Confident49 Ų4990 Ų9023%0.22946%0.457CS..Hα-helixtrans-59.8-46176.3-1705363.300112.4R88 M139 K141 L146 D147R88-Q143 VanDerWaalsContact CD-NE2 3.29Å; M139-Q143 PolarHBondContact O-N 2.68Å; K141-Q143 PolarHBondContact O-N 2.95Å; Q143-L146 PolarHBondContact O-N 3.4Å; Q143-D147 PolarHBondContact NE2-OD1 3.42Å; Q143-D147 PolarHBondContact NE2-OD2 3.16Å; Q143-D147 VanDerWaalsContact O-CG 3.29Å; Q143-D147 PolarHBondContact O-N 3.33Å; Q143-D147 VanDerWaalsContact O-N 3.16Å
144A73.8Confident75.3Confident50 Ų5090.5 Ų90.541%0.41346%0.457SS..Hα-helixtrans-64.1-44.117700000111.9S140 K141 V142 L146 D147 E148S140-A144 PolarHBondContact O-N 2.97Å; K141-A144 PolarHBondContact O-N 3.07Å; V142-A144 PolarHBondContact O-N 2.97Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.05Å; A144-D147 PolarHBondContact O-N 3.07Å; A144-E148 PolarHBondContact O-N 3.3Å
145E70.8Confident75.5Confident99 Ų9985.2 Ų85.246%0.46345%0.446SS..Hα-helixtrans-63.9-37.9178.9-70.3178.2-170.300112.9K141 V142 E148 T149K141-E145 PolarHBondContact O-N 2.73Å; K141-E145 VanDerWaalsContact O-N 3.12Å; V142-E145 PolarHBondContact O-N 2.98Å; E145-E148 PolarHBondContact O-N 2.91Å; E145-T149 WeakPolarHBondContact O-CB 3.44Å; E145-T149 PolarHBondContact O-N 3.44Å; E145-T149 PolarHBondContact O-OG1 2.84Å
146L74.2Confident76.2Confident12 Ų1283 Ų836%0.06344%0.439CS..Hα-helixtrans-69-34.2176.8-71.1178.7000112.6F91 V142 Q143 A144 E148 T149F91-L146 HydrophobicContact CB-CD1 3.75Å; F91-L146 HydrophobicContact CB-CD2 3.63Å; F91-L146 HydrophobicContact CB-CG 4.37Å; F91-L146 HydrophobicContact CG-CD2 4.26Å; V142-L146 HydrophobicContact CG1-CD1 3.87Å; V142-L146 HydrophobicContact CG1-CG 4.09Å; V142-L146 WeakPolarHBondContact O-CB 3.31Å; V142-L146 VanDerWaalsContact O-CG 3.28Å; V142-L146 WeakPolarHBondContact O-CG 3.4Å; V142-L146 PolarHBondContact O-N 2.92Å; Q143-L146 PolarHBondContact O-N 3.4Å; A144-L146 VanDerWaalsContact C-N 3.35Å; A144-L146 PolarHBondContact O-N 3.05Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-T149 PolarHBondContact O-N 3.19Å
147D72.6Confident77Confident96 Ų9682.4 Ų82.451%0.51343%0.433SS..Hα-helixtrans-71.5-27.6178.3-70.1-28.6000111.9R88 Q143 A144R88-D147 IonicContact CZ-OD1 2.62Å; R88-D147 IonicContact NE-OD1 3.93Å; R88-D147 IonicContact NH2-OD1 2.73Å; R88-D147 PolarHBondContact NH2-OD1 2.81Å; R88-D147 IonicContact NH2-OD2 2.75Å; Q143-D147 PolarHBondContact NE2-OD1 3.42Å; Q143-D147 PolarHBondContact NE2-OD2 3.16Å; Q143-D147 VanDerWaalsContact O-CG 3.29Å; Q143-D147 PolarHBondContact O-N 3.33Å; Q143-D147 VanDerWaalsContact O-N 3.16Å; A144-D147 PolarHBondContact O-N 3.07Å
148E70.6Confident78Confident167 Ų16784 Ų8478%0.7844%0.438SS*.Hα-helixtrans-85.5-23.5174.1-67.5-179.7-175.100113.3A144 E145 L146A144-E148 PolarHBondContact O-N 3.3Å; E145-E148 PolarHBondContact O-N 2.91Å; L146-E148 VanDerWaalsContact C-N 3.3Å
149T75.8Confident79.6Confident46 Ų4680.9 Ų80.928%0.28242%0.42SS..SBendtrans-82.1126.4-175.7-57.70000112.1R56 E145 L146 I151R56-T149 PolarHBondContact NH1-OG1 2.93Å; E145-T149 WeakPolarHBondContact O-CB 3.44Å; E145-T149 PolarHBondContact O-N 3.44Å; E145-T149 PolarHBondContact O-OG1 2.84Å; L146-T149 PolarHBondContact O-N 3.19Å; T149-I151 PolarHBondContact O-N 3.39Å
150K84Confident80.8Confident193 Ų19378 Ų7884%0.83941%0.406SS*.  trans-69.3115.6169.1-67.1-177-179.6179.40110.7
151I89.1Confident82Confident67 Ų6774.4 Ų74.434%0.34438%0.379SS..  trans-89.1123.3171-61.5161.2000108.5R56 F91 T149R56-I151 HydrophobicContact CB-CG1 4.35Å; F91-I151 HydrophobicContact CD2-CD1 3.77Å; F91-I151 HydrophobicContact CE2-CD1 3.55Å; F91-I151 HydrophobicContact CE2-CG1 4.02Å; F91-I151 HydrophobicContact CE2-CG2 3.86Å; F91-I151 HydrophobicContact CZ-CD1 4.29Å; F91-I151 HydrophobicContact CZ-CG1 4.26Å; F91-I151 HydrophobicContact CZ-CG2 3.77Å; T149-I151 PolarHBondContact O-N 3.39Å
152I92.8Very high83.1Confident86 Ų8672.4 Ų72.444%0.44137%0.372SS..EExtended strand (participates in β ladder)trans-76131.6175.8-56.2170.8000108.6R56 A57 S58 H154R56-I152 PolarHBondContact O-N 2.93Å; A57-I152 CarbonylContact C-O 3.51Å; A57-I152 WeakPolarHBondContact CA-O 3.12Å; A57-I152 HydrophobicContact CB-CB 4Å; S58-I152 PolarHBondContact N-O 2.81Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.36Å
153L92.8Very high84Confident111 Ų11184.4 Ų84.458%0.58142%0.416SS*.EExtended strand (participates in β ladder)trans-110.3123.1177.7-176.665.9000110.7
154H92.9Very high84.9Confident40 Ų4085.6 Ų85.619%0.18544%0.442CS..EExtended strand (participates in β ladder)trans-106.1127172.6-71.6-81.4000108.9S58 V59 K60 I152 S159S58-H154 PolarHBondContact O-N 2.84Å; V59-H154 HydrophobicContact CB-CB 4.28Å; V59-H154 HydrophobicContact CG1-CB 4.08Å; V59-H154 HydrophobicContact CG2-CB 4.11Å; K60-H154 PolarHBondContact N-O 2.95Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.36Å; H154-S159 VanDerWaalsContact CB-OG 3.23Å; H154-S159 WeakPolarHBondContact CB-OG 3.42Å; H154-S159 PolarHBondContact ND1-OG 3.37Å
155N89.9Confident85.7Confident117 Ų11786 Ų8663%0.62644%0.435SS*.SBendtrans-79.5-26.1-176.2-72.4-37.3000113.8K60K60-N155 CarbonylContact O-C 3.45Å
156T91Very high86.7Confident49 Ų4987.5 Ų87.530%0.30144%0.44SS..SBendtrans-144.8159.3176.7690000110K60 E158 S159K60-T156 WeakPolarHBondContact O-CA 3.21Å; K60-T156 PolarHBondContact O-N 3.16Å; T156-E158 WeakPolarHBondContact CB-OE2 3.35Å; T156-E158 PolarHBondContact O-N 3.4Å; T156-E158 PolarHBondContact OG1-N 2.89Å; T156-E158 PolarHBondContact OG1-OE2 2.94Å; T156-S159 WeakPolarHBondContact O-CB 3.32Å; T156-S159 PolarHBondContact O-N 3.19Å; T156-S159 VanDerWaalsContact O-N 3.15Å; T156-S159 PolarHBondContact O-OG 3.21Å
157M89.7Confident87.4Confident7 Ų788.2 Ų88.23%0.03444%0.444CS..G310 helixtrans-56.6-32.5171.4-173.456.556.300112.4T43 L46 I47 V59 E61 S159 L160 L167T43-M157 HydrophobicContact CG2-CE 3.6Å; L46-M157 HydrophobicContact CD2-CG 4.16Å; L46-M157 HydrophobicContact CD2-SD 3.74Å; L46-M157 HydrophobicContact CG-SD 4.29Å; I47-M157 HydrophobicContact CD1-CE 3.96Å; I47-M157 HydrophobicContact CG1-CE 3.83Å; I47-M157 HydrophobicContact CG1-SD 4.27Å; V59-M157 HydrophobicContact CG1-CE 3.88Å; E61-M157 WeakPolarHBondContact OE2-CB 3.44Å; E61-M157 PolarHBondContact OE2-N 3.29Å; M157-S159 PolarHBondContact O-N 2.99Å; M157-L160 WeakPolarHBondContact O-CB 3.38Å; M157-L160 PolarHBondContact O-N 3.42Å; M157-L160 VanDerWaalsContact O-N 3.09Å; M157-L160 HydrophobicContact SD-CD1 3.84Å; M157-L167 HydrophobicContact CB-CD2 4.46Å; M157-L167 HydrophobicContact CG-CD1 4Å; M157-L167 HydrophobicContact CG-CD2 4.24Å
158E89.3Confident88.3Confident92 Ų9286.8 Ų86.843%0.4344%0.437SS..G310 helixtrans-63.9-25.2-179.3-58.9121.6161.600112.8T156 L160 L161T156-E158 WeakPolarHBondContact CB-OE2 3.35Å; T156-E158 PolarHBondContact O-N 3.4Å; T156-E158 PolarHBondContact OG1-N 2.89Å; T156-E158 PolarHBondContact OG1-OE2 2.94Å; E158-L160 PolarHBondContact O-N 2.72Å; E158-L161 WeakPolarHBondContact O-CB 3.41Å; E158-L161 PolarHBondContact O-N 2.85Å
159S91.2Very high89.3Confident57 Ų5782.6 Ų82.640%0.39942%0.419SS..G310 helixtrans-69.5-12177.172.40000114.1H154 T156 M157H154-S159 VanDerWaalsContact CB-OG 3.23Å; H154-S159 WeakPolarHBondContact CB-OG 3.42Å; H154-S159 PolarHBondContact ND1-OG 3.37Å; T156-S159 WeakPolarHBondContact O-CB 3.32Å; T156-S159 PolarHBondContact O-N 3.19Å; T156-S159 VanDerWaalsContact O-N 3.15Å; T156-S159 PolarHBondContact O-OG 3.21Å; M157-S159 PolarHBondContact O-N 2.99Å
160L90Very high90.1Very high18 Ų1882.1 Ų82.19%0.09442%0.415CS..G310 helixtrans-89.7-12.3171.8-68.5177.2000113.2I47 R50 V59 M157 E158I47-L160 HydrophobicContact CB-CD1 4.37Å; I47-L160 HydrophobicContact CG1-CD1 3.87Å; I47-L160 HydrophobicContact CG2-CD1 4.45Å; R50-L160 HydrophobicContact CB-CB 3.99Å; R50-L160 HydrophobicContact CB-CD2 4.17Å; R50-L160 HydrophobicContact CB-CG 4.49Å; R50-L160 WeakPolarHBondContact CD-O 3.48Å; R50-L160 HydrophobicContact CG-CB 4.16Å; R50-L160 WeakPolarHBondContact CG-O 3.42Å; V59-L160 HydrophobicContact CG1-CD1 4.09Å; V59-L160 HydrophobicContact CG2-CD1 3.68Å; V59-L160 HydrophobicContact CG2-CG 4.39Å; M157-L160 WeakPolarHBondContact O-CB 3.38Å; M157-L160 PolarHBondContact O-N 3.42Å; M157-L160 VanDerWaalsContact O-N 3.09Å; M157-L160 HydrophobicContact SD-CD1 3.84Å; E158-L160 PolarHBondContact O-N 2.72Å
161L90.4Very high90.5Very high25 Ų2573 Ų7313%0.13138%0.375CS..SBendtrans-85.7153.7-174.2-56.5-175.6000111.7L46 E158 E165 L167 L170L46-L161 HydrophobicContact CD1-CD2 4.4Å; L46-L161 HydrophobicContact CD2-CD2 4.34Å; E158-L161 WeakPolarHBondContact O-CB 3.41Å; E158-L161 PolarHBondContact O-N 2.85Å; L161-E165 HydrophobicContact CB-CB 4.28Å; L161-E165 HydrophobicContact CB-CG 4.47Å; L161-L167 HydrophobicContact CD1-CB 4.07Å; L161-L170 HydrophobicContact CD2-CD1 3.51Å
162E87.8Confident90.6Very high130 Ų13072 Ų7261%0.60738%0.375SS*.PPolyproline II helixtrans-72.7158174.2-73.4174.5-148.900111.9R50 G164 E165R50-E162 IonicContact NH1-OE1 3.83Å; R50-E162 PolarHBondContact NH1-OE1 3.38Å; E162-G164 PolarHBondContact O-N 3.11Å; E162-E165 HydrophobicContact CB-CB 4.32Å; E162-E165 PolarHBondContact N-OE2 2.78Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 2.83Å
163R87.4Confident90.6Very high261 Ų26175.9 Ų75.999%0.98539%0.388SS*.THydrogen-bonded Turntrans-59.8117.5177.8-175.4-177.5178.3-151.1-0.5110.2
164G86.8Confident90.5Very high75 Ų7571.2 Ų71.277%0.77337%0.365SS*.THydrogen-bonded Turntrans93.5-5179.500000114.2E162E162-G164 PolarHBondContact O-N 3.11Å
165E91.4Very high90.4Very high57 Ų5777.5 Ų77.527%0.26639%0.394SS..  trans-80.8140.3171.4-172.5173.3-144.500110.6R50 L161 E162 L170R50-E165 IonicContact CZ-OE1 3.86Å; R50-E165 IonicContact CZ-OE2 2.72Å; R50-E165 IonicContact NH1-OE2 3.82Å; R50-E165 VanDerWaalsContact NH2-CD 3.25Å; R50-E165 IonicContact NH2-OE1 3.73Å; R50-E165 PolarHBondContact NH2-OE1 3.21Å; R50-E165 IonicContact NH2-OE2 2.84Å; R50-E165 PolarHBondContact NH2-OE2 3.42Å; L161-E165 HydrophobicContact CB-CB 4.28Å; L161-E165 HydrophobicContact CB-CG 4.47Å; E162-E165 HydrophobicContact CB-CB 4.32Å; E162-E165 PolarHBondContact N-OE2 2.78Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 2.83Å; E165-L170 HydrophobicContact CG-CD1 4.2Å; E165-L170 HydrophobicContact CG-CG 4.33Å; E165-L170 WeakPolarHBondContact OE1-CD2 3.39Å
166K90.7Very high90.4Very high132 Ų13274.4 Ų74.457%0.57438%0.379SS*.  trans-117.9135.3178.9-64.4-179.1-179.4178.40110.4D168 D169 L170K166-D168 PolarHBondContact O-N 3.47Å; K166-D169 HydrophobicContact CB-CB 4.45Å; K166-D169 WeakPolarHBondContact O-CB 3.28Å; K166-D169 PolarHBondContact O-N 3.45Å; K166-L170 PolarHBondContact O-N 3.44Å
167L89.7Confident90.5Very high26 Ų2672.4 Ų72.414%0.13637%0.367CS..Hα-helixtrans-56-37.2175-172.360.5000111.8F42 L46 M157 L161 D169 L170 V171F42-L167 HydrophobicContact CE1-CD1 4.31Å; L46-L167 HydrophobicContact CD2-CD1 3.99Å; M157-L167 HydrophobicContact CB-CD2 4.46Å; M157-L167 HydrophobicContact CG-CD1 4Å; M157-L167 HydrophobicContact CG-CD2 4.24Å; L161-L167 HydrophobicContact CD1-CB 4.07Å; L167-D169 VanDerWaalsContact C-N 3.28Å; L167-D169 PolarHBondContact O-N 3.27Å; L167-L170 WeakPolarHBondContact O-CB 3.14Å; L167-L170 PolarHBondContact O-N 2.84Å; L167-V171 HydrophobicContact CG-CG2 4.42Å; L167-V171 WeakPolarHBondContact O-CG2 3.19Å; L167-V171 PolarHBondContact O-N 2.82Å
168D90.8Very high90.6Very high67 Ų6773.4 Ų73.436%0.35838%0.379SS..Hα-helixtrans-61.1-34.8178.4-65.3-9.3000113.1K166 S172 Y185K166-D168 PolarHBondContact O-N 3.47Å; D168-S172 WeakPolarHBondContact O-CB 3.49Å; D168-S172 PolarHBondContact O-N 2.7Å; D168-S172 PolarHBondContact O-OG 3.45Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.43Å; D168-Y185 PolarHBondContact OD1-OH 2.81Å
169D92.6Very high90.7Very high78 Ų7875.2 Ų75.242%0.41740%0.397SS..Hα-helixtrans-73.4-39.8178.3-67.7-26.7000110.4K166 L167 S172 K173K166-D169 HydrophobicContact CB-CB 4.45Å; K166-D169 WeakPolarHBondContact O-CB 3.28Å; K166-D169 PolarHBondContact O-N 3.45Å; L167-D169 VanDerWaalsContact C-N 3.28Å; L167-D169 PolarHBondContact O-N 3.27Å; D169-S172 PolarHBondContact O-N 3.3Å; D169-K173 WeakPolarHBondContact O-CB 3.14Å; D169-K173 VanDerWaalsContact O-CG 3.28Å; D169-K173 WeakPolarHBondContact O-CG 3.28Å; D169-K173 PolarHBondContact O-N 3.18Å
170L91.3Very high90.7Very high36 Ų3678.6 Ų78.619%0.18841%0.406CS..Hα-helixtrans-63.8-46.4174.4-68.4176.3000111.7F42 L46 L161 E165 K166 L167 S172 K173 S174F42-L170 HydrophobicContact CZ-CB 4Å; L46-L170 HydrophobicContact CD1-CD1 3.98Å; L46-L170 HydrophobicContact CD2-CD1 4.25Å; L161-L170 HydrophobicContact CD2-CD1 3.51Å; E165-L170 HydrophobicContact CG-CD1 4.2Å; E165-L170 HydrophobicContact CG-CG 4.33Å; E165-L170 WeakPolarHBondContact OE1-CD2 3.39Å; K166-L170 PolarHBondContact O-N 3.44Å; L167-L170 WeakPolarHBondContact O-CB 3.14Å; L167-L170 PolarHBondContact O-N 2.84Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.22Å; L170-K173 PolarHBondContact O-N 3.41Å; L170-S174 WeakPolarHBondContact O-CB 3.32Å; L170-S174 PolarHBondContact O-N 2.68Å
171V92.9Very high90.8Very high1 Ų177.8 Ų77.81%0.00640%0.402CS..Hα-helixtrans-59.1-43.9175.2166.90000110.9F39 F42 L167 K173 S174 L177 K182 Y185F39-V171 HydrophobicContact CE1-CG1 4.36Å; F39-V171 HydrophobicContact CE1-CG2 4.14Å; F39-V171 HydrophobicContact CZ-CG1 4.27Å; F42-V171 HydrophobicContact CE1-CG2 3.91Å; F42-V171 HydrophobicContact CZ-CG2 4.18Å; L167-V171 HydrophobicContact CG-CG2 4.42Å; L167-V171 WeakPolarHBondContact O-CG2 3.19Å; L167-V171 PolarHBondContact O-N 2.82Å; V171-K173 PolarHBondContact O-N 2.71Å; V171-S174 PolarHBondContact O-N 2.84Å; V171-L177 HydrophobicContact CB-CD1 4.21Å; V171-L177 HydrophobicContact CG1-CD1 3.76Å; V171-L177 HydrophobicContact CG2-CD1 4.22Å; V171-K182 HydrophobicContact CG1-CG 4.37Å; V171-K182 WeakPolarHBondContact O-CE 3Å; V171-Y185 HydrophobicContact CB-CD1 4.36Å; V171-Y185 HydrophobicContact CB-CE1 4.32Å; V171-Y185 HydrophobicContact CG1-CD1 3.75Å; V171-Y185 HydrophobicContact CG1-CE1 4.2Å; V171-Y185 HydrophobicContact CG1-CG 4.1Å; V171-Y185 HydrophobicContact CG2-CD1 4.38Å; V171-Y185 HydrophobicContact CG2-CE1 4.18Å; V171-Y185 HydrophobicContact CG2-CE2 4.33Å
172S91.1Very high90.9Very high48 Ų4878.9 Ų78.934%0.33641%0.406SS..Hα-helixtrans-66.2-38-179.3-62.80000112.5D168 D169 L170 K182D168-S172 WeakPolarHBondContact O-CB 3.49Å; D168-S172 PolarHBondContact O-N 2.7Å; D168-S172 PolarHBondContact O-OG 3.45Å; D169-S172 PolarHBondContact O-N 3.3Å; L170-S172 VanDerWaalsContact C-N 3.31Å; L170-S172 PolarHBondContact O-N 3.22Å; S172-K182 WeakPolarHBondContact O-CE 3.43Å; S172-K182 PolarHBondContact O-NZ 3.27Å
173K92.3Very high91Very high166 Ų16675.1 Ų75.172%0.72240%0.397SS*.Hα-helixtrans-83.5-16.7-179.6-68.9173.3-176.2175.10114.3D169 L170 V171 E175D169-K173 WeakPolarHBondContact O-CB 3.14Å; D169-K173 VanDerWaalsContact O-CG 3.28Å; D169-K173 WeakPolarHBondContact O-CG 3.28Å; D169-K173 PolarHBondContact O-N 3.18Å; L170-K173 PolarHBondContact O-N 3.41Å; V171-K173 PolarHBondContact O-N 2.71Å; K173-E175 PolarHBondContact O-N 3.16Å
174S90.8Very high91Very high13 Ų1366.2 Ų66.29%0.09137%0.366CS..  trans-57.9132-177.3179.90000112.4F42 L170 V171 V176 L177 K182F42-S174 WeakPolarHBondContact CD2-OG 3.49Å; L170-S174 WeakPolarHBondContact O-CB 3.32Å; L170-S174 PolarHBondContact O-N 2.68Å; V171-S174 PolarHBondContact O-N 2.84Å; S174-V176 PolarHBondContact OG-N 2.84Å; S174-L177 PolarHBondContact OG-N 3.19Å; S174-K182 WeakPolarHBondContact O-CE 3.37Å; S174-K182 PolarHBondContact O-NZ 3.29Å
175E91.4Very high91.1Very high173 Ų17364.3 Ų64.381%0.80834%0.335SS*.SBendtrans-85.8-15172.1-65.9171.9162.900111.8K15 K173K15-E175 IonicContact NZ-OE2 3.82Å; K173-E175 PolarHBondContact O-N 3.16Å
176V90Very high91Very high51 Ų5167 Ų6731%0.30935%0.346SS..SBendtrans-78.5-32.5-179.4-178.60000110.7T41 F42 S174T41-V176 HydrophobicContact CG2-CG1 3.8Å; F42-V176 HydrophobicContact CB-CG1 4.29Å; S174-V176 PolarHBondContact OG-N 2.84Å
177L91.9Very high90.8Very high7 Ų764.2 Ų64.24%0.03734%0.34CS..SBendtrans-88.9123.2-179-60.7178.7000110.5E38 F39 F42 V171 S174 K182E38-L177 HydrophobicContact CB-CD2 3.84Å; E38-L177 WeakPolarHBondContact O-CD2 3.49Å; F39-L177 HydrophobicContact CD1-CD1 4.27Å; F39-L177 HydrophobicContact CD1-CD2 4.1Å; F39-L177 HydrophobicContact CD2-CD2 4.32Å; F39-L177 HydrophobicContact CE1-CD1 3.61Å; F39-L177 HydrophobicContact CE1-CD2 4.13Å; F39-L177 HydrophobicContact CE2-CD2 4.34Å; F39-L177 HydrophobicContact CG-CD2 4.15Å; F39-L177 HydrophobicContact CZ-CD1 3.77Å; F39-L177 HydrophobicContact CZ-CD2 4.19Å; F42-L177 HydrophobicContact CB-CD1 4.43Å; F42-L177 HydrophobicContact CB-CD2 3.79Å; F42-L177 HydrophobicContact CB-CG 4.06Å; F42-L177 HydrophobicContact CD1-CD1 4.2Å; F42-L177 HydrophobicContact CD2-CD1 4.37Å; F42-L177 HydrophobicContact CD2-CG 4.45Å; F42-L177 HydrophobicContact CG-CD1 4.06Å; F42-L177 HydrophobicContact CG-CD2 4.31Å; F42-L177 HydrophobicContact CG-CG 4.16Å; V171-L177 HydrophobicContact CB-CD1 4.21Å; V171-L177 HydrophobicContact CG1-CD1 3.76Å; V171-L177 HydrophobicContact CG2-CD1 4.22Å; S174-L177 PolarHBondContact OG-N 3.19Å; L177-K182 HydrophobicContact CB-CG 3.91Å; L177-K182 WeakPolarHBondContact O-CE 3.11Å
178G92.9Very high90.6Very high29 Ų2964.5 Ų64.530%0.29935%0.346SS..  trans-65.7163.6170.100000112.5E38 Q180 S181 K182E38-G178 PolarHBondContact OE2-N 2.97Å; G178-Q180 VanDerWaalsContact C-N 3.28Å; G178-Q180 PolarHBondContact O-N 3.34Å; G178-S181 PolarHBondContact O-N 3.45Å; G178-S181 VanDerWaalsContact O-N 3.16Å; G178-K182 WeakPolarHBondContact O-CG 3.31Å; G178-K182 PolarHBondContact O-N 2.85Å
179T91.6Very high90.2Very high129 Ų12967.1 Ų67.179%0.79135%0.351SS*.Hα-helixtrans-57.9-40.7179.750.30000112.3A183T179-A183 PolarHBondContact O-N 3.04Å
180Q90.1Very high89.7Confident129 Ų12970.5 Ų70.560%0.60336%0.362SS*.Hα-helixtrans-63.6-43.8176.7-175.3176.34.500111.9G178 A183 F184G178-Q180 VanDerWaalsContact C-N 3.28Å; G178-Q180 PolarHBondContact O-N 3.34Å; Q180-A183 PolarHBondContact O-N 3.05Å; Q180-F184 WeakPolarHBondContact O-CB 3.27Å; Q180-F184 PolarHBondContact O-N 2.9Å
181S92.6Very high89Confident1 Ų175.1 Ų75.11%0.00738%0.382CS..Hα-helixtrans-66.1-42.3179.6-53.80000111.5S35 E38 F39 G178 A183 F184 Y185S35-S181 VanDerWaalsContact CA-OG 3.24Å; S35-S181 WeakPolarHBondContact CA-OG 3.47Å; S35-S181 VanDerWaalsContact CB-OG 3.32Å; S35-S181 WeakPolarHBondContact CB-OG 3.39Å; S35-S181 PolarHBondContact OG-OG 2.83Å; E38-S181 VanDerWaalsContact CD-OG 3.3Å; E38-S181 WeakPolarHBondContact OE2-CB 3.2Å; E38-S181 PolarHBondContact OE2-OG 3.07Å; F39-S181 VanDerWaalsContact CE2-O 3.25Å; F39-S181 WeakPolarHBondContact CE2-O 3.39Å; G178-S181 PolarHBondContact O-N 3.45Å; G178-S181 VanDerWaalsContact O-N 3.16Å; S181-A183 VanDerWaalsContact C-N 3.31Å; S181-A183 PolarHBondContact O-N 3.34Å; S181-F184 WeakPolarHBondContact O-CB 3.38Å; S181-F184 PolarHBondContact O-N 2.79Å; S181-Y185 PolarHBondContact O-N 3.43Å
182K92.6Very high87.7Confident47 Ų4780.3 Ų80.320%0.20441%0.41CS..Hα-helixtrans-59-41.8172.3-67.8178.8-176.2-179.40112V171 S172 S174 L177 G178 K186V171-K182 HydrophobicContact CG1-CG 4.37Å; V171-K182 WeakPolarHBondContact O-CE 3Å; S172-K182 WeakPolarHBondContact O-CE 3.43Å; S172-K182 PolarHBondContact O-NZ 3.27Å; S174-K182 WeakPolarHBondContact O-CE 3.37Å; S174-K182 PolarHBondContact O-NZ 3.29Å; L177-K182 HydrophobicContact CB-CG 3.91Å; L177-K182 WeakPolarHBondContact O-CE 3.11Å; G178-K182 WeakPolarHBondContact O-CG 3.31Å; G178-K182 PolarHBondContact O-N 2.85Å; K182-K186 WeakPolarHBondContact O-CG 3.44Å; K182-K186 PolarHBondContact O-N 2.94Å
183A90.1Very high86.3Confident51 Ų5181.5 Ų81.542%0.42142%0.418SS..Hα-helixtrans-67.7-39.6176.500000112.4T179 Q180 S181 K186 T187T179-A183 PolarHBondContact O-N 3.04Å; Q180-A183 PolarHBondContact O-N 3.05Å; S181-A183 VanDerWaalsContact C-N 3.31Å; S181-A183 PolarHBondContact O-N 3.34Å; A183-K186 PolarHBondContact O-N 3.24Å; A183-T187 WeakPolarHBondContact O-CB 3.21Å; A183-T187 PolarHBondContact O-N 2.93Å; A183-T187 PolarHBondContact O-OG1 2.93Å
184F88.6Confident84.4Confident75 Ų7578.5 Ų78.533%0.32942%0.417SS..Hα-helixtrans-57.8-50.2175.5177.5-102.4000111.1Q32 Q180 S181 K186 T187 A188Q32-F184 HydrophobicContact CG-CE2 4Å; Q32-F184 HydrophobicContact CG-CZ 4.34Å; Q180-F184 WeakPolarHBondContact O-CB 3.27Å; Q180-F184 PolarHBondContact O-N 2.9Å; S181-F184 WeakPolarHBondContact O-CB 3.38Å; S181-F184 PolarHBondContact O-N 2.79Å; F184-K186 PolarHBondContact O-N 3.44Å; F184-T187 PolarHBondContact O-N 3.28Å; F184-A188 WeakPolarHBondContact O-CB 3.22Å; F184-A188 PolarHBondContact O-N 3.24Å
185Y88.4Confident82.3Confident35 Ų3583.3 Ų83.314%0.13745%0.45CS..Hα-helixtrans-60.1-46.1177.2171.2-89.9000113.2F39 D168 V171 S181 T187 A188 R189F39-Y185 AromaticContact CE1-CD2 3.89Å; F39-Y185 HydrophobicContact CE1-CD2 3.89Å; F39-Y185 HydrophobicContact CE1-CG 4.17Å; F39-Y185 HydrophobicContact CZ-CD2 4.01Å; F39-Y185 AromaticContact CZ-CG 3.88Å; F39-Y185 HydrophobicContact CZ-CG 3.88Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.43Å; D168-Y185 PolarHBondContact OD1-OH 2.81Å; V171-Y185 HydrophobicContact CB-CD1 4.36Å; V171-Y185 HydrophobicContact CB-CE1 4.32Å; V171-Y185 HydrophobicContact CG1-CD1 3.75Å; V171-Y185 HydrophobicContact CG1-CE1 4.2Å; V171-Y185 HydrophobicContact CG1-CG 4.1Å; V171-Y185 HydrophobicContact CG2-CD1 4.38Å; V171-Y185 HydrophobicContact CG2-CE1 4.18Å; V171-Y185 HydrophobicContact CG2-CE2 4.33Å; S181-Y185 PolarHBondContact O-N 3.43Å; Y185-T187 PolarHBondContact O-N 3.01Å; Y185-A188 PolarHBondContact O-N 3.43Å; Y185-R189 HydrophobicContact CE1-CG 4.06Å; Y185-R189 HydrophobicContact CE2-CG 4.16Å; Y185-R189 PolarHBondContact O-N 3.36Å; Y185-R189 WeakPolarHBondContact OH-CD 3.31Å
186K88.3Confident80Confident114 Ų11479.3 Ų79.350%0.49645%0.446SS..Hα-helixtrans-59.8-38.2177.1-74.1-179.5-179.8-176.70111.9K182 A183 F184 K190K182-K186 WeakPolarHBondContact O-CG 3.44Å; K182-K186 PolarHBondContact O-N 2.94Å; A183-K186 PolarHBondContact O-N 3.24Å; F184-K186 PolarHBondContact O-N 3.44Å; K186-K190 WeakPolarHBondContact O-CG 3.25Å; K186-K190 PolarHBondContact O-N 2.86Å
187T87.1Confident77.4Confident72 Ų7284.1 Ų84.144%0.44247%0.469SS..Hα-helixtrans-70.9-45.8179-54.20000111.3A183 F184 Y185 R189 K190 Q191A183-T187 WeakPolarHBondContact O-CB 3.21Å; A183-T187 PolarHBondContact O-N 2.93Å; A183-T187 PolarHBondContact O-OG1 2.93Å; F184-T187 PolarHBondContact O-N 3.28Å; Y185-T187 PolarHBondContact O-N 3.01Å; T187-R189 PolarHBondContact O-N 3.34Å; T187-K190 PolarHBondContact O-N 3.03Å; T187-Q191 WeakPolarHBondContact O-CG 3.45Å; T187-Q191 PolarHBondContact O-N 2.88Å
188A84.4Confident74.6Confident32 Ų3296 Ų9626%0.26453%0.527SS..Hα-helixtrans-60.6-44.3177.500000112F184 Y185 K190 Q191 N192F184-A188 WeakPolarHBondContact O-CB 3.22Å; F184-A188 PolarHBondContact O-N 3.24Å; Y185-A188 PolarHBondContact O-N 3.43Å; A188-K190 PolarHBondContact O-N 2.97Å; A188-Q191 PolarHBondContact O-N 3.29Å; A188-N192 PolarHBondContact O-N 3.07Å; A188-N192 PolarHBondContact O-ND2 3.13Å
189R83.4Confident73.7Confident123 Ų12399.3 Ų99.346%0.46454%0.538SS..Hα-helixtrans-60-43.3174.7-79.9-128.171.8161.39.6112.5Y185 T187 N192 S193Y185-R189 HydrophobicContact CE1-CG 4.06Å; Y185-R189 HydrophobicContact CE2-CG 4.16Å; Y185-R189 PolarHBondContact O-N 3.36Å; Y185-R189 WeakPolarHBondContact OH-CD 3.31Å; T187-R189 PolarHBondContact O-N 3.34Å; R189-N192 PolarHBondContact O-N 3.17Å; R189-S193 WeakPolarHBondContact O-CB 3.45Å; R189-S193 PolarHBondContact O-N 3.33Å; R189-S193 PolarHBondContact O-OG 2.85Å
190K81.4Confident72.8Confident148 Ų14897.7 Ų97.764%0.64353%0.525SS*.Hα-helixtrans-62.2-46.1177.8-77.7179.8179.7-172.70111.9K186 T187 A188 N192 S193 C194K186-K190 WeakPolarHBondContact O-CG 3.25Å; K186-K190 PolarHBondContact O-N 2.86Å; T187-K190 PolarHBondContact O-N 3.03Å; A188-K190 PolarHBondContact O-N 2.97Å; K190-N192 VanDerWaalsContact C-N 3.33Å; K190-N192 PolarHBondContact O-N 3.04Å; K190-S193 WeakPolarHBondContact CA-OG 3.49Å; K190-S193 PolarHBondContact O-N 3.4Å; K190-S193 PolarHBondContact O-OG 3.46Å; K190-C194 PolarHBondContact O-N 3.38Å
191Q76.3Confident71.8Confident133 Ų13396 Ų9662%0.62152%0.521SS*.Hα-helixtrans-61-42.5178.9-73.4178.4-7.800111.9T187 A188 S193 C194T187-Q191 WeakPolarHBondContact O-CG 3.45Å; T187-Q191 PolarHBondContact O-N 2.88Å; A188-Q191 PolarHBondContact O-N 3.29Å; Q191-S193 VanDerWaalsContact C-N 3.34Å; Q191-S193 PolarHBondContact O-N 3.31Å; Q191-C194 PolarHBondContact O-N 3.32Å
192N67.3Low70.6Confident111 Ų111101.6 Ų101.659%0.59455%0.551SS**Hα-helixtrans-74.3-22.6178.1-67.9-22.8000113.5A188 R189 K190A188-N192 PolarHBondContact O-N 3.07Å; A188-N192 PolarHBondContact O-ND2 3.13Å; R189-N192 PolarHBondContact O-N 3.17Å; K190-N192 VanDerWaalsContact C-N 3.33Å; K190-N192 PolarHBondContact O-N 3.04Å
193S60.4Low69.2Low72 Ų72105 Ų10550%0.50357%0.573SS.*Hα-helixtrans-76.4-23.6176.368.80000114R189 K190 Q191 C195R189-S193 WeakPolarHBondContact O-CB 3.45Å; R189-S193 PolarHBondContact O-N 3.33Å; R189-S193 PolarHBondContact O-OG 2.85Å; K190-S193 WeakPolarHBondContact CA-OG 3.49Å; K190-S193 PolarHBondContact O-N 3.4Å; K190-S193 PolarHBondContact O-OG 3.46Å; Q191-S193 VanDerWaalsContact C-N 3.34Å; Q191-S193 PolarHBondContact O-N 3.31Å; S193-C195 PolarHBondContact O-N 2.86Å
194C53.5Low67.8Low103 Ų103108.6 Ų108.670%0.69658%0.583SS**THydrogen-bonded Turntrans-76.8-3.9-178.7-78.40000114.3K190 Q191K190-C194 PolarHBondContact O-N 3.38Å; Q191-C194 PolarHBondContact O-N 3.32Å
195C46.2Very low66.3Low114 Ų114111 Ų11177%0.7760%0.601SS**THydrogen-bonded Turntrans-107.55.7179.8-64.80000114S193S193-C195 PolarHBondContact O-N 2.86Å
196A43.8Very low64.6Low90 Ų90116.8 Ų116.874%0.74464%0.636SS**SBendtrans-92.40173.800000113.5
197I33.9Very low62.7Low152 Ų152117.1 Ų117.178%0.77965%0.648SS**  trans-121.575.1175-51.6177000107.9
198M34.3Very low60.4Low255 Ų255121.2 Ų121.2100%1.25667%0.667SS**  trans-152.40152.6-149.7179.9-6500109.4

Retrieved 198 of 198 residues in 456.2 ms (Link to these results)

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