A0A3B3UA83_9TELE Loading...

YKT6 v-SNARE homolog (S. cerevisiae)

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 A0A3B3UA83, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 198 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.9Confident96.9Very high109 Ų10922.2 Ų22.254%0.53710%0.1SC..  0103.30-56.8-175.481.800111.5D82 E84 P86 P133M1-D82 VanDerWaalsContact CA-CG 3.44Å; M1-D82 VanDerWaalsContact CA-OD1 3.23Å; M1-D82 WeakPolarHBondContact CA-OD1 2.83Å; M1-D82 WeakPolarHBondContact CA-OD2 3.23Å; M1-D82 PolarHBondContact N-OD2 3.23Å; M1-E84 WeakPolarHBondContact CE-O 3.43Å; M1-E84 HydrophobicContact CG-CB 3.81Å; M1-E84 PolarHBondContact N-OE2 2.79Å; M1-E84 VanDerWaalsContact N-OE2 3.12Å; M1-P86 VanDerWaalsContact CE-CD 3.4Å; M1-P86 HydrophobicContact CE-CG 3.6Å; M1-P133 HydrophobicContact CE-CG 3.96Å
2K93.9Very high96.6Very high30 Ų3022.2 Ų22.213%0.1311%0.11CC..  trans-154.6144.2-177.6-176.4165.2-176.9177.70111.5Y4 D24 S26 S27 S81 D82K2-Y4 HydrophobicContact CB-CE1 4.43Å; K2-Y4 HydrophobicContact CD-CD1 4.2Å; K2-Y4 HydrophobicContact CD-CE1 3.81Å; K2-Y4 HydrophobicContact CG-CD1 4.28Å; K2-Y4 HydrophobicContact CG-CE1 4.07Å; K2-D24 WeakPolarHBondContact CE-OD1 3.38Å; K2-D24 WeakPolarHBondContact CE-OD2 3.32Å; K2-D24 IonicContact NZ-OD1 2.83Å; K2-D24 PolarHBondContact NZ-OD1 3.33Å; K2-D24 IonicContact NZ-OD2 3.64Å; K2-S26 PolarHBondContact NZ-OG 3.41Å; K2-S27 PolarHBondContact NZ-OG 2.76Å; K2-S27 VanDerWaalsContact NZ-OG 3.11Å; K2-S81 VanDerWaalsContact O-CA 3.28Å; K2-S81 WeakPolarHBondContact O-CA 3.41Å; K2-S81 WeakPolarHBondContact O-CB 3.43Å; K2-D82 VanDerWaalsContact N-CG 3.25Å; K2-D82 PolarHBondContact N-OD1 2.95Å; K2-D82 PolarHBondContact N-OD2 3.2Å; K2-D82 PolarHBondContact O-N 3.12Å
3L97.1Very high96.1Very high0 Ų029.2 Ų29.20%017%0.174CC..EExtended strand (participates in β ladder)trans-96.7132.5165.1-57.7-178.5000109.6V79 Y85 L93 L127 Q131L3-V79 HydrophobicContact CD1-CG2 4.36Å; L3-V79 HydrophobicContact CD2-CG2 3.83Å; L3-Y85 HydrophobicContact CD1-CE2 4.12Å; L3-Y85 HydrophobicContact CD2-CD1 3.76Å; L3-Y85 HydrophobicContact CD2-CD2 3.66Å; L3-Y85 HydrophobicContact CD2-CE1 3.72Å; L3-Y85 HydrophobicContact CD2-CE2 3.62Å; L3-Y85 HydrophobicContact CD2-CG 3.74Å; L3-Y85 HydrophobicContact CG-CD2 3.98Å; L3-Y85 HydrophobicContact CG-CE1 4.37Å; L3-Y85 HydrophobicContact CG-CE2 3.57Å; L3-L93 HydrophobicContact CD1-CD2 3.76Å; L3-L127 HydrophobicContact CB-CD1 3.55Å; L3-L127 HydrophobicContact CD1-CD1 4.21Å; L3-Q131 VanDerWaalsContact N-OE1 3.08Å; L3-Q131 PolarHBondContact O-NE2 3.26Å
4Y98.1Very high95.3Very high29 Ų2936 Ų3611%0.11422%0.216CC..EExtended strand (participates in β ladder)trans-102.7-38.6-177.8-61-69.3000113.2K2 Y23 D24 F28 M40 Y64 I80 D82K2-Y4 HydrophobicContact CB-CE1 4.43Å; K2-Y4 HydrophobicContact CD-CD1 4.2Å; K2-Y4 HydrophobicContact CD-CE1 3.81Å; K2-Y4 HydrophobicContact CG-CD1 4.28Å; K2-Y4 HydrophobicContact CG-CE1 4.07Å; Y4-Y23 CarbonylContact O-C 3.58Å; Y4-Y23 WeakPolarHBondContact O-CA 3.32Å; Y4-D24 PolarHBondContact O-N 3.12Å; Y4-F28 AromaticContact CD1-CE2 3.58Å; Y4-F28 HydrophobicContact CD1-CE2 3.58Å; Y4-F28 HydrophobicContact CD1-CZ 4.09Å; Y4-F28 AromaticContact CE1-CE2 3.8Å; Y4-F28 HydrophobicContact CE1-CE2 3.8Å; Y4-F28 HydrophobicContact CE1-CZ 4.03Å; Y4-F28 HydrophobicContact CG-CE2 4.4Å; Y4-M40 HydrophobicContact CD1-CE 4.39Å; Y4-M40 HydrophobicContact CD2-CE 4.49Å; Y4-M40 HydrophobicContact CG-CE 3.88Å; Y4-Y64 AromaticContact CD2-CD1 3.84Å; Y4-Y64 HydrophobicContact CD2-CD1 3.84Å; Y4-Y64 AromaticContact CD2-CE1 3.98Å; Y4-Y64 HydrophobicContact CD2-CE1 3.98Å; Y4-Y64 AromaticContact CE2-CD1 3.5Å; Y4-Y64 HydrophobicContact CE2-CD1 3.5Å; 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 3.79Å; Y4-I80 HydrophobicContact CD2-CG2 4.41Å; Y4-I80 PolarHBondContact N-O 2.83Å; Y4-D82 HydrophobicContact CE2-CB 4.28Å
5S98.4Very high95.1Very high0 Ų041.7 Ų41.70%024%0.237CC..EExtended strand (participates in β ladder)trans-147149.7177.969.30000111.5A22 V79 I80S5-A22 WeakPolarHBondContact CA-O 3.37Å; S5-V79 WeakPolarHBondContact O-CA 3.23Å; S5-V79 WeakPolarHBondContact O-CG2 3.47Å; S5-I80 PolarHBondContact N-O 2.83Å; S5-I80 PolarHBondContact O-N 3.19Å; S5-I80 WeakPolarHBondContact OG-CB 3.4Å; S5-I80 WeakPolarHBondContact OG-CD1 3.43Å; S5-I80 VanDerWaalsContact OG-CG1 3.31Å; S5-I80 WeakPolarHBondContact OG-CG1 3.28Å
6L98.6Very high95.1Very high0 Ų039.3 Ų39.30%022%0.224CC..EExtended strand (participates in β ladder)trans-135.8122.9170.6176.269000107.9A21 A22 V78 V79 L93 L94 V97 L123 H126 L127L6-A21 CarbonylContact O-C 3.59Å; L6-A21 WeakPolarHBondContact O-CA 3.45Å; L6-A22 PolarHBondContact N-O 2.83Å; L6-A22 PolarHBondContact O-N 2.66Å; L6-V78 WeakPolarHBondContact CA-O 3.21Å; L6-V79 HydrophobicContact CD1-CB 4.03Å; L6-V79 HydrophobicContact CD1-CG2 4.38Å; L6-L93 HydrophobicContact CD1-CD2 4.16Å; L6-L93 HydrophobicContact CD1-CG 4.22Å; L6-L93 HydrophobicContact CD2-CD1 4.21Å; L6-L93 HydrophobicContact CD2-CD2 4.38Å; L6-L93 HydrophobicContact CD2-CG 4.47Å; L6-L94 HydrophobicContact CD1-CD2 4.06Å; L6-V97 HydrophobicContact CD2-CG2 3.89Å; L6-L123 HydrophobicContact CD2-CD2 3.73Å; L6-L123 HydrophobicContact CG-CD2 3.95Å; L6-H126 HydrophobicContact CD2-CB 4.12Å; L6-L127 HydrophobicContact CB-CB 4.42Å; L6-L127 HydrophobicContact CB-CD1 4.12Å; L6-L127 HydrophobicContact CD2-CB 4.47Å
7S98.6Very high95Very high1 Ų140.2 Ų40.21%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-133.3149-175.858.40000111.7L9 K20 S44 A77 V78S7-L9 WeakPolarHBondContact OG-CD1 3.43Å; S7-K20 WeakPolarHBondContact CA-O 3.34Å; S7-S44 WeakPolarHBondContact OG-CB 3.48Å; S7-S44 PolarHBondContact OG-OG 3.38Å; S7-A77 CarbonylContact O-C 3.44Å; S7-A77 WeakPolarHBondContact O-CA 3.42Å; S7-A77 WeakPolarHBondContact O-CB 3.41Å; S7-V78 PolarHBondContact N-O 3.02Å; S7-V78 PolarHBondContact O-N 2.83Å; S7-V78 PolarHBondContact OG-O 3.44Å
8V98.7Very high95.2Very high0 Ų039.6 Ų39.60%022%0.224CC..EExtended strand (participates in β ladder)trans-117.3128.5171.21790000107.6L19 K20 L75 S76 A77 V97 L98 F101 L123V8-L19 HydrophobicContact CG1-CD1 4.24Å; V8-L19 WeakPolarHBondContact O-CB 3.38Å; V8-L19 PolarHBondContact O-N 3.39Å; V8-K20 PolarHBondContact N-O 3.33Å; V8-K20 PolarHBondContact O-N 3.34Å; V8-L75 HydrophobicContact CG1-CD1 3.87Å; V8-L75 HydrophobicContact CG1-CG 4.43Å; V8-S76 CarbonylContact C-O 3.45Å; V8-S76 WeakPolarHBondContact CA-O 3.41Å; V8-A77 HydrophobicContact CG2-CB 4.41Å; V8-V97 HydrophobicContact CG2-CG1 3.56Å; V8-L98 HydrophobicContact CG1-CD2 4.48Å; V8-F101 HydrophobicContact CB-CD2 4.44Å; V8-F101 HydrophobicContact CG1-CD1 3.99Å; V8-F101 HydrophobicContact CG1-CD2 4.12Å; V8-F101 HydrophobicContact CG1-CE1 4.05Å; V8-F101 HydrophobicContact CG1-CE2 4.18Å; V8-F101 HydrophobicContact CG1-CG 4.03Å; V8-F101 HydrophobicContact CG1-CZ 4.15Å; V8-F101 HydrophobicContact CG2-CD2 4.4Å; V8-L123 HydrophobicContact CG2-CD1 4.36Å; V8-L123 HydrophobicContact CG2-CD2 3.95Å
9L98.5Very high95.3Very high0 Ų037.5 Ų37.50%021%0.212CC..EExtended strand (participates in β ladder)trans-131.5150.5-177.8-48.986.2000110.3S7 A16 N17 L18 A45 A48 S76 V78S7-L9 WeakPolarHBondContact OG-CD1 3.43Å; L9-A16 HydrophobicContact CB-CB 4.44Å; L9-A16 HydrophobicContact CD2-CB 4.05Å; L9-N17 CarbonylContact C-O 3.55Å; L9-N17 WeakPolarHBondContact CA-O 3.42Å; L9-N17 WeakPolarHBondContact CB-O 3.49Å; L9-L18 HydrophobicContact CD2-CD1 4.37Å; L9-L18 HydrophobicContact CG-CD1 4.03Å; L9-A45 HydrophobicContact CD2-CB 4.07Å; L9-A48 HydrophobicContact CD2-CB 4.3Å; L9-S76 PolarHBondContact N-O 3.49Å; L9-S76 WeakPolarHBondContact O-CA 3.17Å; L9-S76 PolarHBondContact O-N 3.28Å; L9-S76 VanDerWaalsContact O-O 3.09Å; L9-S76 PolarHBondContact O-OG 3.16Å; L9-V78 HydrophobicContact CD1-CB 4.48Å; L9-V78 HydrophobicContact CD1-CG2 3.97Å
10Y98.3Very high95.4Very high45 Ų4538.1 Ų38.118%0.17621%0.212CC..EExtended strand (participates in β ladder)trans-97.8121.5166.9178.3-101.9000109.8G12 A16 N17 N74 W110 P111Y10-G12 PolarHBondContact O-N 3.02Å; Y10-A16 CarbonylContact O-C 3.57Å; Y10-A16 WeakPolarHBondContact O-CA 3.33Å; Y10-N17 PolarHBondContact N-O 3.1Å; Y10-N17 PolarHBondContact O-N 3.37Å; Y10-N74 HydrophobicContact CD2-CB 4.25Å; Y10-N74 HydrophobicContact CE2-CB 3.76Å; Y10-W110 HydrophobicContact CD2-CB 3.61Å; Y10-W110 HydrophobicContact CD2-CE3 4.16Å; Y10-W110 HydrophobicContact CE2-CB 4.27Å; Y10-W110 HydrophobicContact CE2-CE3 4.38Å; Y10-W110 HydrophobicContact CG-CB 3.94Å; Y10-P111 HydrophobicContact CD1-CB 4.35Å; Y10-P111 HydrophobicContact CE1-CB 3.9Å; Y10-P111 HydrophobicContact CE1-CG 3.95Å; Y10-P111 HydrophobicContact CE2-CG 4.4Å
11K97.5Very high95.6Very high30 Ų3037.2 Ų37.213%0.1321%0.21CC..EExtended strand (participates in β ladder)trans-79.199.5176.7-174.5-171.3177.881.60109.9A48 E49 T51 V53 V70 N74K11-A48 PolarHBondContact NZ-O 3.36Å; K11-E49 VanDerWaalsContact NZ-C 3.27Å; K11-E49 PolarHBondContact NZ-O 2.96Å; K11-T51 WeakPolarHBondContact CE-O 3.46Å; K11-T51 PolarHBondContact NZ-O 2.95Å; K11-V53 HydrophobicContact CD-CG2 3.85Å; K11-V70 HydrophobicContact CB-CG1 4.41Å; K11-V70 HydrophobicContact CD-CG1 3.78Å; K11-N74 HydrophobicContact CB-CB 4.22Å; K11-N74 PolarHBondContact N-O 3.05Å; K11-N74 WeakPolarHBondContact O-CB 3.48Å
12G94.1Very high96.1Very high22 Ų2232.1 Ų32.123%0.22719%0.185CC..  trans-74.5179.2168.800000112.4Y10 T14 K15Y10-G12 PolarHBondContact O-N 3.02Å; G12-T14 VanDerWaalsContact C-N 3.29Å; G12-T14 PolarHBondContact O-N 3.45Å; G12-K15 WeakPolarHBondContact CA-O 3.42Å; G12-K15 PolarHBondContact N-O 3.17Å
13A89.4Confident96.3Very high114 Ų11433.1 Ų33.194%0.94219%0.188SC*.SBendtrans-64.2-33.2-179.800000113.4
14T85.8Confident96.3Very high124 Ų12435.1 Ų35.176%0.76120%0.199SC*.SBendtrans-126.2-18.9-175.354.60000114.1G12G12-T14 VanDerWaalsContact C-N 3.29Å; G12-T14 PolarHBondContact O-N 3.45Å
15K91.8Very high96.2Very high121 Ų12134.3 Ų34.353%0.52620%0.197SC..  trans-143150.5-175.1-64.6-173.6173.9-1730110.6G12 E49G12-K15 WeakPolarHBondContact CA-O 3.42Å; G12-K15 PolarHBondContact N-O 3.17Å; K15-E49 VanDerWaalsContact CA-OE1 3.3Å; K15-E49 WeakPolarHBondContact CA-OE1 3.35Å
16A94.9Very high96Very high4 Ų437.7 Ų37.73%0.03322%0.22CC..EExtended strand (participates in β ladder)trans-95.2125168.400000110.4L9 Y10 A48 E49L9-A16 HydrophobicContact CB-CB 4.44Å; L9-A16 HydrophobicContact CD2-CB 4.05Å; Y10-A16 CarbonylContact O-C 3.57Å; Y10-A16 WeakPolarHBondContact O-CA 3.33Å; A16-A48 HydrophobicContact CB-CB 3.98Å; A16-E49 HydrophobicContact CB-CG 3.68Å; A16-E49 VanDerWaalsContact N-CG 3.3Å; A16-E49 PolarHBondContact N-OE1 3.5Å
17N94Very high95.8Very high55 Ų5541 Ų4129%0.29424%0.244SC..EExtended strand (participates in β ladder)trans-91.3119.5178.4-63.5-16.8000109.3L9 Y10 L19 P111L9-N17 CarbonylContact C-O 3.55Å; L9-N17 WeakPolarHBondContact CA-O 3.42Å; L9-N17 WeakPolarHBondContact CB-O 3.49Å; Y10-N17 PolarHBondContact N-O 3.1Å; Y10-N17 PolarHBondContact O-N 3.37Å; N17-L19 PolarHBondContact O-N 3.11Å; N17-P111 PolarHBondContact ND2-O 3.28Å
18L97.3Very high95.5Very high28 Ų2842.5 Ų42.515%0.14725%0.25CC..EExtended strand (participates in β ladder)trans-68.4116.6174.2-177.868.5000110L9 A21 T41 N114 P115L9-L18 HydrophobicContact CD2-CD1 4.37Å; L9-L18 HydrophobicContact CG-CD1 4.03Å; L18-A21 HydrophobicContact CD1-CB 4.18Å; L18-T41 HydrophobicContact CD2-CG2 3.71Å; L18-N114 WeakPolarHBondContact O-CA 3.24Å; L18-P115 HydrophobicContact CD2-CG 3.74Å; L18-P115 HydrophobicContact CG-CG 4.01Å; L18-P115 WeakPolarHBondContact O-CD 3.48Å
19L98Very high95.3Very high0 Ų046 Ų460%027%0.274CS..EExtended strand (participates in β ladder)trans-89.2-46.5177.4-57.4-176.1000111.2V8 N17 L75 F101 W110 N114 P115 I118V8-L19 HydrophobicContact CG1-CD1 4.24Å; V8-L19 WeakPolarHBondContact O-CB 3.38Å; V8-L19 PolarHBondContact O-N 3.39Å; N17-L19 PolarHBondContact O-N 3.11Å; L19-L75 HydrophobicContact CD1-CD1 3.89Å; L19-F101 HydrophobicContact CB-CE2 4.44Å; L19-F101 HydrophobicContact CB-CZ 3.89Å; L19-F101 HydrophobicContact CD1-CE1 3.62Å; L19-F101 HydrophobicContact CD1-CZ 3.58Å; L19-F101 HydrophobicContact CG-CZ 4.38Å; L19-W110 HydrophobicContact CD1-CB 4.07Å; L19-W110 HydrophobicContact CD1-CG 4.11Å; L19-W110 VanDerWaalsContact CD2-O 3.3Å; L19-W110 WeakPolarHBondContact CD2-O 3.42Å; L19-N114 CarbonylContact O-C 3.48Å; L19-P115 WeakPolarHBondContact O-CA 3.27Å; L19-I118 HydrophobicContact CB-CG1 4.23Å; L19-I118 HydrophobicContact CD2-CG1 4.35Å; L19-I118 WeakPolarHBondContact O-CB 3.28Å
20K98.1Very high95Very high49 Ų4953 Ų5321%0.21331%0.305CS..EExtended strand (participates in β ladder)trans-157.8152.5177.6-151.572.4178.8-174.50110.5S7 V8 P115 I118 Y120 L123S7-K20 WeakPolarHBondContact CA-O 3.34Å; V8-K20 PolarHBondContact N-O 3.33Å; V8-K20 PolarHBondContact O-N 3.34Å; K20-P115 PolarHBondContact NZ-O 3.44Å; K20-I118 PolarHBondContact NZ-O 3.31Å; K20-Y120 WeakPolarHBondContact CE-O 3.43Å; K20-L123 VanDerWaalsContact C-CD1 3.48Å; K20-L123 HydrophobicContact CB-CD1 3.69Å; K20-L123 HydrophobicContact CG-CD1 3.93Å; K20-L123 WeakPolarHBondContact O-CD1 3.35Å
21A98.1Very high94.6Very high21 Ų2159.3 Ų59.317%0.17433%0.334CS..EExtended strand (participates in β ladder)trans-147.1153.5172.700000111.7L6 L18 Y23L6-A21 CarbonylContact O-C 3.59Å; L6-A21 WeakPolarHBondContact O-CA 3.45Å; L18-A21 HydrophobicContact CD1-CB 4.18Å; A21-Y23 HydrophobicContact CB-CE1 4.39Å; A21-Y23 HydrophobicContact CB-CE2 3.61Å; A21-Y23 VanDerWaalsContact CB-CZ 3.49Å; A21-Y23 WeakPolarHBondContact CB-OH 3.26Å
22A98.3Very high94.2Very high1 Ų161.4 Ų61.41%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-126.5149.8168.200000109.5S5 L6 L123 D124 L127S5-A22 WeakPolarHBondContact CA-O 3.37Å; L6-A22 PolarHBondContact N-O 2.83Å; L6-A22 PolarHBondContact O-N 2.66Å; A22-L123 HydrophobicContact CB-CB 3.7Å; A22-D124 HydrophobicContact CB-CB 4.46Å; A22-D124 WeakPolarHBondContact CB-OD1 3.17Å; A22-L127 HydrophobicContact CB-CB 4.31Å; A22-L127 HydrophobicContact CB-CD2 3.82Å
23Y98.1Very high94.2Very high52 Ų5264.6 Ų64.620%0.20435%0.349CS..EExtended strand (participates in β ladder)trans-138.2138.3-175.1-54.7-84.4000111.6Y4 A21 Q37 M40 T41Y4-Y23 CarbonylContact O-C 3.58Å; Y4-Y23 WeakPolarHBondContact O-CA 3.32Å; A21-Y23 HydrophobicContact CB-CE1 4.39Å; A21-Y23 HydrophobicContact CB-CE2 3.61Å; A21-Y23 VanDerWaalsContact CB-CZ 3.49Å; A21-Y23 WeakPolarHBondContact CB-OH 3.26Å; Y23-Q37 HydrophobicContact CD1-CG 3.82Å; Y23-Q37 HydrophobicContact CD2-CG 3.69Å; Y23-Q37 HydrophobicContact CE1-CG 3.84Å; Y23-Q37 HydrophobicContact CE2-CG 3.7Å; Y23-Q37 HydrophobicContact CG-CG 3.77Å; Y23-M40 HydrophobicContact CE1-CB 4.19Å; Y23-T41 PolarHBondContact OH-OG1 2.94Å
24D97.4Very high94.5Very high41 Ų4162.4 Ų62.422%0.21933%0.327CS..  trans-119.194.4165.2-179.6-11.4000109.4K2 Y4 S26 L127K2-D24 WeakPolarHBondContact CE-OD1 3.38Å; K2-D24 WeakPolarHBondContact CE-OD2 3.32Å; K2-D24 IonicContact NZ-OD1 2.83Å; K2-D24 PolarHBondContact NZ-OD1 3.33Å; K2-D24 IonicContact NZ-OD2 3.64Å; Y4-D24 PolarHBondContact O-N 3.12Å; D24-S26 WeakPolarHBondContact OD1-CB 3.25Å; D24-S26 PolarHBondContact OD1-N 3.4Å; D24-S26 VanDerWaalsContact OD1-N 3.08Å; D24-S26 PolarHBondContact OD1-OG 3.38Å; D24-L127 HydrophobicContact CB-CD2 4.36Å
25L96.4Very high94.9Very high13 Ų1356.7 Ų56.77%0.06829%0.292CS..  trans-104.117.3-178.4-50.8-178.9000112.6S27 F28 R33 V36 Q37 M40L25-S27 PolarHBondContact O-N 3.2Å; L25-F28 HydrophobicContact CB-CD2 4.1Å; L25-F28 HydrophobicContact CD2-CD2 4.11Å; L25-F28 HydrophobicContact CD2-CE2 4.13Å; L25-F28 PolarHBondContact O-N 3.25Å; L25-R33 HydrophobicContact CB-CB 4.25Å; L25-R33 HydrophobicContact CB-CG 3.98Å; L25-R33 HydrophobicContact CD1-CB 4.26Å; L25-R33 VanDerWaalsContact CD1-O 3.25Å; L25-R33 WeakPolarHBondContact CD1-O 3.19Å; L25-R33 PolarHBondContact O-NE 2.98Å; L25-R33 VanDerWaalsContact O-NE 3.08Å; L25-V36 HydrophobicContact CD2-CG1 3.91Å; L25-Q37 HydrophobicContact CD1-CB 3.62Å; L25-Q37 HydrophobicContact CD1-CG 4.18Å; L25-M40 HydrophobicContact CD2-CE 4.06Å; L25-M40 HydrophobicContact CD2-SD 3.63Å
26S94.9Very high95.1Very high71 Ų7151.7 Ų51.750%0.49727%0.272SS..THydrogen-bonded Turntrans-61.2-27.4-174.558.20000113.5K2 D24 F28 R33K2-S26 PolarHBondContact NZ-OG 3.41Å; D24-S26 WeakPolarHBondContact OD1-CB 3.25Å; D24-S26 PolarHBondContact OD1-N 3.4Å; D24-S26 VanDerWaalsContact OD1-N 3.08Å; D24-S26 PolarHBondContact OD1-OG 3.38Å; S26-F28 VanDerWaalsContact C-N 3.33Å; S26-R33 PolarHBondContact O-NH2 3.23Å
27S93.4Very high95.1Very high70 Ų7055.5 Ų55.549%0.4929%0.289SS..THydrogen-bonded Turntrans-77.2-15177.4460000113.9K2 L25K2-S27 PolarHBondContact NZ-OG 2.76Å; K2-S27 VanDerWaalsContact NZ-OG 3.11Å; L25-S27 PolarHBondContact O-N 3.2Å
28F93.2Very high95.2Very high31 Ų3155.2 Ų55.214%0.13629%0.286CS..SBendtrans-92.1149.1176.2-61-85.2000110.9Y4 L25 S26 F30 R33 V36 M40 Y64Y4-F28 AromaticContact CD1-CE2 3.58Å; Y4-F28 HydrophobicContact CD1-CE2 3.58Å; Y4-F28 HydrophobicContact CD1-CZ 4.09Å; Y4-F28 AromaticContact CE1-CE2 3.8Å; Y4-F28 HydrophobicContact CE1-CE2 3.8Å; Y4-F28 HydrophobicContact CE1-CZ 4.03Å; Y4-F28 HydrophobicContact CG-CE2 4.4Å; L25-F28 HydrophobicContact CB-CD2 4.1Å; L25-F28 HydrophobicContact CD2-CD2 4.11Å; L25-F28 HydrophobicContact CD2-CE2 4.13Å; L25-F28 PolarHBondContact O-N 3.25Å; S26-F28 VanDerWaalsContact C-N 3.33Å; F28-F30 PolarHBondContact O-N 3.06Å; F28-R33 HydrophobicContact CB-CG 4.2Å; F28-R33 PolarHBondContact O-NE 2.96Å; F28-R33 PolarHBondContact O-NH2 2.91Å; F28-V36 HydrophobicContact CD1-CG1 4.29Å; F28-V36 HydrophobicContact CD1-CG2 3.91Å; F28-V36 HydrophobicContact CD2-CG1 4.02Å; F28-V36 HydrophobicContact CE1-CG1 4.12Å; F28-V36 HydrophobicContact CE1-CG2 4.26Å; F28-V36 HydrophobicContact CE2-CG1 3.84Å; F28-V36 HydrophobicContact CG-CG1 4.24Å; F28-V36 HydrophobicContact CG-CG2 4.17Å; F28-V36 HydrophobicContact CZ-CG1 3.9Å; F28-M40 HydrophobicContact CE2-CE 3.94Å; F28-M40 HydrophobicContact CZ-CE 3.97Å; F28-Y64 WeakPolarHBondContact CE1-OH 3.05Å; F28-Y64 HydrophobicContact CZ-CE1 4.18Å
29S94.3Very high95.1Very high74 Ų7455.4 Ų55.452%0.51729%0.285SS..  trans-54.4136.4173-61.30000110.5F31 Q32 R33S29-F31 PolarHBondContact O-N 3.23Å; S29-F31 VanDerWaalsContact O-N 3.09Å; S29-Q32 PolarHBondContact O-N 2.82Å; S29-R33 WeakPolarHBondContact O-CG 3.34Å; S29-R33 PolarHBondContact O-N 3.46Å
30F91.3Very high95.1Very high147 Ų14756 Ų5665%0.64529%0.289SS*.G310 helixtrans-48.4-44.5-175.5179.7-98.6000113.2F28 Q32 R33F28-F30 PolarHBondContact O-N 3.06Å; F30-Q32 VanDerWaalsContact C-N 3.25Å; F30-Q32 PolarHBondContact O-N 3.48Å; F30-R33 PolarHBondContact O-N 3.31Å
31F89.8Confident95Very high177 Ų17754.5 Ų54.578%0.77628%0.283SS*.G310 helixtrans-69.8-16.3-179.1-57-68.3000114.9S29S29-F31 PolarHBondContact O-N 3.23Å; S29-F31 VanDerWaalsContact O-N 3.09Å
32Q90.4Very high94.9Very high74 Ų7454.3 Ų54.335%0.34628%0.278SS..G310 helixtrans-97.4-19179.8-67.1172.3-29.500112.4S29 F30 S34 S35 V36 F184S29-Q32 PolarHBondContact O-N 2.82Å; F30-Q32 VanDerWaalsContact C-N 3.25Å; F30-Q32 PolarHBondContact O-N 3.48Å; Q32-S34 VanDerWaalsContact C-N 3.32Å; Q32-S34 PolarHBondContact O-N 2.6Å; Q32-S35 PolarHBondContact O-N 2.87Å; Q32-V36 HydrophobicContact CB-CG2 4.39Å; Q32-V36 WeakPolarHBondContact O-CG2 3.3Å; Q32-V36 PolarHBondContact O-N 3.11Å; Q32-F184 HydrophobicContact CG-CE2 4.13Å; Q32-F184 HydrophobicContact CG-CZ 4.44Å
33R93.8Very high94.8Very high89 Ų8955.6 Ų55.634%0.33629%0.286SS..Hα-helixtrans-55-43-171.5-68.3-179.4-176.9174.8-1.6113.1L25 S26 F28 S29 F30 S35 V36 Q37L25-R33 HydrophobicContact CB-CB 4.25Å; L25-R33 HydrophobicContact CB-CG 3.98Å; L25-R33 HydrophobicContact CD1-CB 4.26Å; L25-R33 VanDerWaalsContact CD1-O 3.25Å; L25-R33 WeakPolarHBondContact CD1-O 3.19Å; L25-R33 PolarHBondContact O-NE 2.98Å; L25-R33 VanDerWaalsContact O-NE 3.08Å; S26-R33 PolarHBondContact O-NH2 3.23Å; F28-R33 HydrophobicContact CB-CG 4.2Å; F28-R33 PolarHBondContact O-NE 2.96Å; F28-R33 PolarHBondContact O-NH2 2.91Å; S29-R33 WeakPolarHBondContact O-CG 3.34Å; S29-R33 PolarHBondContact O-N 3.46Å; F30-R33 PolarHBondContact O-N 3.31Å; R33-S35 PolarHBondContact O-N 3.08Å; R33-V36 PolarHBondContact O-N 3.17Å; R33-Q37 WeakPolarHBondContact O-CB 3.23Å; R33-Q37 PolarHBondContact O-N 3.45Å
34S95.1Very high94.8Very high69 Ų6953.1 Ų53.148%0.48328%0.276SS..Hα-helixtrans-59-48.8177.8-164.90000111.7Q32 V36 Q37 E38Q32-S34 VanDerWaalsContact C-N 3.32Å; Q32-S34 PolarHBondContact O-N 2.6Å; S34-V36 PolarHBondContact O-N 3.08Å; S34-Q37 WeakPolarHBondContact O-CB 3.3Å; S34-Q37 PolarHBondContact O-N 3.32Å; S34-E38 WeakPolarHBondContact O-CG 3.37Å; S34-E38 PolarHBondContact O-N 3.17Å; S34-E38 VanDerWaalsContact O-N 3.08Å
35S94.8Very high94.7Very high3 Ų351.3 Ų51.32%0.02127%0.268CS..Hα-helixtrans-66.5-39.7179.6-64.90000112.5Q32 R33 Q37 E38 F39 S181Q32-S35 PolarHBondContact O-N 2.87Å; R33-S35 PolarHBondContact O-N 3.08Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-Q37 PolarHBondContact O-N 2.98Å; S35-E38 PolarHBondContact O-N 2.91Å; S35-F39 VanDerWaalsContact O-CD2 3.23Å; S35-F39 WeakPolarHBondContact O-CD2 3.37Å; S35-F39 PolarHBondContact O-N 2.89Å; S35-S181 VanDerWaalsContact CA-OG 3.24Å; S35-S181 WeakPolarHBondContact CA-OG 3.4Å; S35-S181 WeakPolarHBondContact CB-OG 3.44Å; S35-S181 PolarHBondContact OG-OG 3.02Å
36V94.9Very high94.7Very high16 Ų1651 Ų5110%0.09727%0.266CS..Hα-helixtrans-61.8-42.8175.6175.60000111L25 F28 Q32 R33 S34 F39 M40L25-V36 HydrophobicContact CD2-CG1 3.91Å; F28-V36 HydrophobicContact CD1-CG1 4.29Å; F28-V36 HydrophobicContact CD1-CG2 3.91Å; F28-V36 HydrophobicContact CD2-CG1 4.02Å; F28-V36 HydrophobicContact CE1-CG1 4.12Å; F28-V36 HydrophobicContact CE1-CG2 4.26Å; F28-V36 HydrophobicContact CE2-CG1 3.84Å; F28-V36 HydrophobicContact CG-CG1 4.24Å; F28-V36 HydrophobicContact CG-CG2 4.17Å; F28-V36 HydrophobicContact CZ-CG1 3.9Å; Q32-V36 HydrophobicContact CB-CG2 4.39Å; Q32-V36 WeakPolarHBondContact O-CG2 3.3Å; Q32-V36 PolarHBondContact O-N 3.11Å; R33-V36 PolarHBondContact O-N 3.17Å; S34-V36 PolarHBondContact O-N 3.08Å; V36-F39 PolarHBondContact O-N 3.39Å; V36-M40 HydrophobicContact CG1-CE 3.47Å; V36-M40 VanDerWaalsContact CG1-CE 3.47Å; V36-M40 HydrophobicContact CG1-CG 4.41Å; V36-M40 HydrophobicContact CG1-SD 4Å; V36-M40 WeakPolarHBondContact O-CG 3.42Å; V36-M40 PolarHBondContact O-N 3.04Å
37Q96.5Very high94.8Very high85 Ų8547.6 Ų47.640%0.39724%0.242SC..Hα-helixtrans-59.7-48.2177-165.5176.9-54.200112Y23 L25 R33 S34 S35 F39 M40 T41Y23-Q37 HydrophobicContact CD1-CG 3.82Å; Y23-Q37 HydrophobicContact CD2-CG 3.69Å; Y23-Q37 HydrophobicContact CE1-CG 3.84Å; Y23-Q37 HydrophobicContact CE2-CG 3.7Å; Y23-Q37 HydrophobicContact CG-CG 3.77Å; L25-Q37 HydrophobicContact CD1-CB 3.62Å; L25-Q37 HydrophobicContact CD1-CG 4.18Å; R33-Q37 WeakPolarHBondContact O-CB 3.23Å; R33-Q37 PolarHBondContact O-N 3.45Å; S34-Q37 WeakPolarHBondContact O-CB 3.3Å; S34-Q37 PolarHBondContact O-N 3.32Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-Q37 PolarHBondContact O-N 2.98Å; Q37-F39 VanDerWaalsContact C-N 3.32Å; Q37-F39 PolarHBondContact O-N 3.44Å; Q37-M40 PolarHBondContact O-N 2.74Å; Q37-T41 PolarHBondContact O-N 2.86Å; Q37-T41 PolarHBondContact O-OG1 3.22Å
38E96.1Very high95Very high49 Ų4944.2 Ų44.223%0.22922%0.219CC..Hα-helixtrans-60.8-41.5177.8-72.2175.8-156.900111.3S34 S35 T41 F42 L177 G178 S181S34-E38 WeakPolarHBondContact O-CG 3.37Å; S34-E38 PolarHBondContact O-N 3.17Å; S34-E38 VanDerWaalsContact O-N 3.08Å; S35-E38 PolarHBondContact O-N 2.91Å; E38-T41 WeakPolarHBondContact O-CB 3.28Å; E38-T41 PolarHBondContact O-N 3.28Å; E38-F42 WeakPolarHBondContact O-CB 3.39Å; E38-F42 PolarHBondContact O-N 3.32Å; E38-L177 VanDerWaalsContact C-CD2 3.5Å; E38-L177 HydrophobicContact CB-CD2 3.83Å; E38-L177 WeakPolarHBondContact O-CD2 3.41Å; E38-G178 PolarHBondContact OE2-N 3.31Å; E38-S181 VanDerWaalsContact CD-OG 3.29Å; E38-S181 WeakPolarHBondContact OE2-CB 3Å; E38-S181 PolarHBondContact OE2-OG 2.88Å
39F95Very high95.1Very high31 Ų3145.7 Ų45.714%0.13623%0.226CC..Hα-helixtrans-64.6-45.6174.7-89.5-70.5000113S35 V36 Q37 T41 F42 T43 V171 L177 S181 Y185S35-F39 VanDerWaalsContact O-CD2 3.23Å; S35-F39 WeakPolarHBondContact O-CD2 3.37Å; S35-F39 PolarHBondContact O-N 2.89Å; V36-F39 PolarHBondContact O-N 3.39Å; Q37-F39 VanDerWaalsContact C-N 3.32Å; Q37-F39 PolarHBondContact O-N 3.44Å; F39-T41 PolarHBondContact O-N 3.09Å; F39-F42 HydrophobicContact CD1-CD1 4.42Å; F39-F42 PolarHBondContact O-N 3.47Å; F39-T43 VanDerWaalsContact O-CB 3.29Å; F39-T43 WeakPolarHBondContact O-CB 3.35Å; F39-T43 PolarHBondContact O-N 3.04Å; F39-T43 PolarHBondContact O-OG1 2.87Å; F39-T43 VanDerWaalsContact O-OG1 3.05Å; F39-V171 HydrophobicContact CE1-CG1 4.28Å; F39-V171 HydrophobicContact CE1-CG2 4.13Å; F39-V171 HydrophobicContact CZ-CG1 4.26Å; F39-L177 HydrophobicContact CD1-CD1 4.28Å; F39-L177 HydrophobicContact CD1-CD2 4.11Å; F39-L177 HydrophobicContact CD2-CD2 4.36Å; F39-L177 HydrophobicContact CE1-CD1 3.62Å; F39-L177 HydrophobicContact CE1-CD2 4.13Å; F39-L177 HydrophobicContact CE2-CD2 4.37Å; F39-L177 HydrophobicContact CG-CD2 4.18Å; F39-L177 HydrophobicContact CZ-CD1 3.81Å; F39-L177 HydrophobicContact CZ-CD2 4.2Å; F39-S181 WeakPolarHBondContact CE2-O 3.33Å; F39-Y185 AromaticContact CE1-CD2 3.82Å; F39-Y185 HydrophobicContact CE1-CD2 3.82Å; F39-Y185 HydrophobicContact CE1-CG 4.08Å; F39-Y185 AromaticContact CZ-CD2 3.99Å; F39-Y185 HydrophobicContact CZ-CD2 3.99Å; F39-Y185 AromaticContact CZ-CG 3.83Å; F39-Y185 HydrophobicContact CZ-CG 3.83Å
40M96.3Very high95.1Very high14 Ų1445.7 Ų45.77%0.06922%0.215CC..Hα-helixtrans-60.7-36.2176.5-72.5177.6179.100111.7Y4 Y23 L25 F28 V36 Q37 S44 I80Y4-M40 HydrophobicContact CD1-CE 4.39Å; Y4-M40 HydrophobicContact CD2-CE 4.49Å; Y4-M40 HydrophobicContact CG-CE 3.88Å; Y23-M40 HydrophobicContact CE1-CB 4.19Å; L25-M40 HydrophobicContact CD2-CE 4.06Å; L25-M40 HydrophobicContact CD2-SD 3.63Å; F28-M40 HydrophobicContact CE2-CE 3.94Å; F28-M40 HydrophobicContact CZ-CE 3.97Å; V36-M40 HydrophobicContact CG1-CE 3.47Å; V36-M40 VanDerWaalsContact CG1-CE 3.47Å; V36-M40 HydrophobicContact CG1-CG 4.41Å; V36-M40 HydrophobicContact CG1-SD 4Å; V36-M40 WeakPolarHBondContact O-CG 3.42Å; V36-M40 PolarHBondContact O-N 3.04Å; Q37-M40 PolarHBondContact O-N 2.74Å; M40-S44 WeakPolarHBondContact O-CB 3.25Å; M40-S44 PolarHBondContact O-N 3.29Å; M40-S44 PolarHBondContact O-OG 3.37Å; M40-I80 HydrophobicContact CB-CD1 3.91Å; M40-I80 HydrophobicContact CG-CD1 3.94Å
41T96.9Very high95.3Very high16 Ų1639 Ų3910%0.09819%0.186CC..Hα-helixtrans-64.1-52.4174.2-52.10000111.3L18 Y23 Q37 E38 F39 T43 S44 A45L18-T41 HydrophobicContact CD2-CG2 3.71Å; Y23-T41 PolarHBondContact OH-OG1 2.94Å; Q37-T41 PolarHBondContact O-N 2.86Å; Q37-T41 PolarHBondContact O-OG1 3.22Å; E38-T41 WeakPolarHBondContact O-CB 3.28Å; E38-T41 PolarHBondContact O-N 3.28Å; F39-T41 PolarHBondContact O-N 3.09Å; T41-T43 PolarHBondContact O-N 3.05Å; T41-S44 PolarHBondContact O-N 3.06Å; T41-A45 PolarHBondContact O-N 3.38Å
42F96Very high95.6Very high17 Ų1734.4 Ų34.48%0.07518%0.175CC..Hα-helixtrans-58.5-47.3178.4165.7-103000111.8E38 F39 S44 A45 L46 L167 L170 V171 S174 H176 L177E38-F42 WeakPolarHBondContact O-CB 3.39Å; E38-F42 PolarHBondContact O-N 3.32Å; F39-F42 HydrophobicContact CD1-CD1 4.42Å; F39-F42 PolarHBondContact O-N 3.47Å; F42-S44 PolarHBondContact O-N 3.21Å; F42-A45 PolarHBondContact O-N 3.16Å; F42-L46 HydrophobicContact CE1-CD2 4.31Å; F42-L46 HydrophobicContact CZ-CD2 4.15Å; F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 2.95Å; F42-L167 HydrophobicContact CE1-CD1 4.26Å; F42-L167 HydrophobicContact CZ-CD1 4.49Å; F42-L170 HydrophobicContact CE2-CB 4.48Å; F42-L170 HydrophobicContact CZ-CB 3.97Å; F42-V171 HydrophobicContact CE1-CG2 3.87Å; F42-V171 HydrophobicContact CZ-CG2 4.17Å; F42-S174 VanDerWaalsContact CD2-OG 3.28Å; F42-S174 WeakPolarHBondContact CD2-OG 3.2Å; F42-H176 HydrophobicContact CB-CB 4.37Å; F42-L177 HydrophobicContact CB-CD1 4.44Å; F42-L177 HydrophobicContact CB-CD2 3.85Å; F42-L177 HydrophobicContact CB-CG 4.12Å; F42-L177 HydrophobicContact CD1-CD1 4.26Å; F42-L177 HydrophobicContact CD2-CD1 4.47Å; F42-L177 HydrophobicContact CG-CD1 4.12Å; F42-L177 HydrophobicContact CG-CD2 4.4Å; F42-L177 HydrophobicContact CG-CG 4.26Å
43T96.2Very high95.9Very high28 Ų2833.6 Ų33.617%0.17218%0.176CC..Hα-helixtrans-60.7-43.8177.2-66.70000111.4F39 T41 A45 L46 I47 I80 M157F39-T43 VanDerWaalsContact O-CB 3.29Å; F39-T43 WeakPolarHBondContact O-CB 3.35Å; F39-T43 PolarHBondContact O-N 3.04Å; F39-T43 PolarHBondContact O-OG1 2.87Å; F39-T43 VanDerWaalsContact O-OG1 3.05Å; T41-T43 PolarHBondContact O-N 3.05Å; T43-A45 PolarHBondContact O-N 3.37Å; T43-L46 PolarHBondContact O-N 3.5Å; T43-I47 HydrophobicContact CG2-CD1 3.66Å; T43-I47 HydrophobicContact CG2-CG1 4.29Å; T43-I47 WeakPolarHBondContact O-CB 3.4Å; T43-I47 VanDerWaalsContact O-CG1 3.23Å; T43-I47 WeakPolarHBondContact O-CG1 3.41Å; T43-I47 PolarHBondContact O-N 3.13Å; T43-I80 HydrophobicContact CG2-CD1 4.26Å; T43-M157 HydrophobicContact CG2-CE 3.67Å
44S97.6Very high96Very high0 Ų030.9 Ų30.90%018%0.175CC..Hα-helixtrans-60.7-44.5177.2-610000112S7 M40 T41 F42 A48S7-S44 WeakPolarHBondContact OG-CB 3.48Å; S7-S44 PolarHBondContact OG-OG 3.38Å; M40-S44 WeakPolarHBondContact O-CB 3.25Å; M40-S44 PolarHBondContact O-N 3.29Å; M40-S44 PolarHBondContact O-OG 3.37Å; T41-S44 PolarHBondContact O-N 3.06Å; F42-S44 PolarHBondContact O-N 3.21Å; S44-A48 WeakPolarHBondContact O-CB 3.18Å; S44-A48 PolarHBondContact O-N 3.02Å
45A96.5Very high96Very high4 Ų429.4 Ų29.43%0.03316%0.163CC..Hα-helixtrans-62.5-49.3176.700000111.8L9 T41 F42 T43 I47 A48 E49L9-A45 HydrophobicContact CD2-CB 4.07Å; T41-A45 PolarHBondContact O-N 3.38Å; F42-A45 PolarHBondContact O-N 3.16Å; T43-A45 PolarHBondContact O-N 3.37Å; A45-I47 PolarHBondContact O-N 3.16Å; A45-A48 PolarHBondContact O-N 3.23Å; A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 VanDerWaalsContact O-CG 3.3Å; A45-E49 WeakPolarHBondContact O-CG 3.24Å; A45-E49 PolarHBondContact O-N 3.47Å
46L95.8Very high96.1Very high5 Ų530.9 Ų30.93%0.02617%0.168CC..Hα-helixtrans-59.2-46.1179.6179.560.8000111.8F42 T43 A48 E49 R50 M157 L161 L167 L170F42-L46 HydrophobicContact CE1-CD2 4.31Å; F42-L46 HydrophobicContact CZ-CD2 4.15Å; F42-L46 WeakPolarHBondContact O-CB 3.42Å; F42-L46 PolarHBondContact O-N 2.95Å; T43-L46 PolarHBondContact O-N 3.5Å; L46-A48 PolarHBondContact O-N 2.71Å; L46-E49 PolarHBondContact O-N 2.9Å; L46-R50 HydrophobicContact CD1-CG 4.02Å; L46-R50 VanDerWaalsContact O-CG 3.3Å; L46-R50 WeakPolarHBondContact O-CG 3.35Å; L46-R50 PolarHBondContact O-N 2.89Å; L46-M157 HydrophobicContact CD2-CG 4.18Å; L46-M157 HydrophobicContact CD2-SD 3.7Å; L46-M157 HydrophobicContact CG-SD 4.26Å; L46-L161 HydrophobicContact CD1-CD2 4.47Å; L46-L161 HydrophobicContact CD2-CD2 4.38Å; L46-L167 HydrophobicContact CD2-CD1 3.98Å; L46-L170 HydrophobicContact CD1-CD1 3.98Å; L46-L170 HydrophobicContact CD2-CD1 4.22Å
47I96.8Very high96.2Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-62.9-44.3178.8-67172000110.7T43 A45 E49 R50 T51 V59 C66 V68 M157 L160T43-I47 HydrophobicContact CG2-CD1 3.66Å; T43-I47 HydrophobicContact CG2-CG1 4.29Å; T43-I47 WeakPolarHBondContact O-CB 3.4Å; T43-I47 VanDerWaalsContact O-CG1 3.23Å; T43-I47 WeakPolarHBondContact O-CG1 3.41Å; T43-I47 PolarHBondContact O-N 3.13Å; A45-I47 PolarHBondContact O-N 3.16Å; I47-E49 VanDerWaalsContact C-N 3.31Å; I47-E49 PolarHBondContact O-N 3.41Å; I47-R50 PolarHBondContact O-N 3.48Å; I47-T51 VanDerWaalsContact O-CB 3.3Å; I47-T51 WeakPolarHBondContact O-CB 3.42Å; I47-T51 PolarHBondContact O-N 2.96Å; I47-T51 PolarHBondContact O-OG1 2.93Å; I47-V59 HydrophobicContact CD1-CB 4.15Å; I47-V59 HydrophobicContact CD1-CG2 4.09Å; I47-V59 HydrophobicContact CG1-CG2 4.16Å; I47-V59 HydrophobicContact CG2-CG2 4.07Å; I47-C66 HydrophobicContact CD1-CB 3.28Å; I47-V68 HydrophobicContact CG2-CB 3.63Å; I47-V68 HydrophobicContact CG2-CG1 3.4Å; I47-V68 VanDerWaalsContact CG2-CG1 3.4Å; I47-V68 HydrophobicContact CG2-CG2 4.08Å; I47-M157 HydrophobicContact CD1-CE 3.87Å; I47-M157 HydrophobicContact CG1-CE 3.79Å; I47-M157 HydrophobicContact CG1-SD 4.22Å; I47-L160 HydrophobicContact CB-CD1 4.4Å; I47-L160 HydrophobicContact CG1-CD1 3.86Å
48A97.3Very high96.2Very high0 Ų026.1 Ų26.10%015%0.145CC..Hα-helixtrans-63.7-36.2177.600000112.3L9 K11 A16 S44 A45 L46 V78L9-A48 HydrophobicContact CD2-CB 4.3Å; K11-A48 PolarHBondContact NZ-O 3.36Å; A16-A48 HydrophobicContact CB-CB 3.98Å; S44-A48 WeakPolarHBondContact O-CB 3.18Å; S44-A48 PolarHBondContact O-N 3.02Å; A45-A48 PolarHBondContact O-N 3.23Å; L46-A48 PolarHBondContact O-N 2.71Å; A48-V78 HydrophobicContact CB-CG2 4.5Å
49E95.7Very high96.3Very high62 Ų6223.8 Ų23.829%0.2913%0.134SC..Hα-helixtrans-65.7-39.8175-75.5171.8-172.500112.6K11 K15 A16 A45 L46 I47K11-E49 VanDerWaalsContact NZ-C 3.27Å; K11-E49 PolarHBondContact NZ-O 2.96Å; K15-E49 VanDerWaalsContact CA-OE1 3.3Å; K15-E49 WeakPolarHBondContact CA-OE1 3.35Å; A16-E49 HydrophobicContact CB-CG 3.68Å; A16-E49 VanDerWaalsContact N-CG 3.3Å; A16-E49 PolarHBondContact N-OE1 3.5Å; A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 VanDerWaalsContact O-CG 3.3Å; A45-E49 WeakPolarHBondContact O-CG 3.24Å; A45-E49 PolarHBondContact O-N 3.47Å; L46-E49 PolarHBondContact O-N 2.9Å; I47-E49 VanDerWaalsContact C-N 3.31Å; I47-E49 PolarHBondContact O-N 3.41Å
50R94.9Very high96.3Very high74 Ų7427 Ų2728%0.27915%0.148SC..Hα-helixtrans-87-18.2-176.6-58.9-57.2-179.6175.34114L46 I47 L160 E162 E165L46-R50 HydrophobicContact CD1-CG 4.02Å; L46-R50 VanDerWaalsContact O-CG 3.3Å; L46-R50 WeakPolarHBondContact O-CG 3.35Å; L46-R50 PolarHBondContact O-N 2.89Å; I47-R50 PolarHBondContact O-N 3.48Å; R50-L160 HydrophobicContact CB-CB 3.94Å; R50-L160 HydrophobicContact CB-CD1 4.44Å; R50-L160 HydrophobicContact CB-CD2 4.14Å; R50-L160 HydrophobicContact CB-CG 4.43Å; R50-L160 HydrophobicContact CG-CB 4.16Å; R50-L160 WeakPolarHBondContact CG-O 3.5Å; R50-E162 IonicContact CZ-OE1 2.72Å; R50-E162 IonicContact NH1-OE1 2.68Å; R50-E162 PolarHBondContact NH1-OE1 3.39Å; R50-E165 IonicContact CZ-OE2 3.98Å; R50-E165 VanDerWaalsContact NH2-CD 3.31Å; R50-E165 IonicContact NH2-OE1 3.98Å; R50-E165 PolarHBondContact NH2-OE1 2.78Å; R50-E165 IonicContact NH2-OE2 2.76Å; R50-E165 PolarHBondContact NH2-OE2 2.89Å
51T95.9Very high96Very high7 Ų728.9 Ų28.94%0.04316%0.157CC..SBendtrans-81.4131.2177.8-57.10000111.2K11 I47 T55 A57 V68 V70K11-T51 WeakPolarHBondContact CE-O 3.46Å; K11-T51 PolarHBondContact NZ-O 2.95Å; I47-T51 VanDerWaalsContact O-CB 3.3Å; I47-T51 WeakPolarHBondContact O-CB 3.42Å; I47-T51 PolarHBondContact O-N 2.96Å; I47-T51 PolarHBondContact O-OG1 2.93Å; T51-T55 VanDerWaalsContact CG2-OG1 3.28Å; T51-T55 WeakPolarHBondContact CG2-OG1 3.36Å; T51-A57 HydrophobicContact CG2-CB 4.26Å; T51-V68 HydrophobicContact CG2-CG1 4.07Å; T51-V68 HydrophobicContact CG2-CG2 4.49Å; T51-V68 WeakPolarHBondContact OG1-CG1 3.33Å; T51-V70 HydrophobicContact CG2-CG2 3.72Å
52S95.4Very high95.5Very high79 Ų7934.3 Ų34.355%0.55218%0.181SC*.PPolyproline II helixtrans-67.3147.4177.8-530000112.1T55S52-T55 PolarHBondContact O-N 3.33Å; S52-T55 PolarHBondContact O-OG1 2.83Å
53V96.8Very high95.2Very high58 Ų5840.6 Ų40.635%0.35221%0.211SC..THydrogen-bonded Turntrans-56.6139173.8174.90000110.5K11 T55 V70 R71 N74K11-V53 HydrophobicContact CD-CG2 3.85Å; V53-T55 VanDerWaalsContact C-N 3.3Å; V53-T55 PolarHBondContact O-N 3.4Å; V53-V70 HydrophobicContact CG2-CG1 4.26Å; V53-R71 WeakPolarHBondContact CG1-O 3.33Å; V53-N74 VanDerWaalsContact CG2-OD1 3.27Å; V53-N74 WeakPolarHBondContact CG2-OD1 3.34Å
54G95.4Very high95.1Very high32 Ų3242.6 Ų42.633%0.3322%0.216SC..THydrogen-bonded Turntrans78.29.6179.500000114.8V70 N72G54-V70 CarbonylContact C-O 3.55Å; G54-V70 WeakPolarHBondContact CA-O 3.37Å; G54-V70 PolarHBondContact N-O 3.48Å; G54-N72 WeakPolarHBondContact CA-OD1 3.29Å
55T95.6Very high95.1Very high37 Ų3743.5 Ų43.523%0.22722%0.221CC..  trans-117.9156.2-17673.30000113T51 S52 V53 V70T51-T55 VanDerWaalsContact CG2-OG1 3.28Å; T51-T55 WeakPolarHBondContact CG2-OG1 3.36Å; S52-T55 PolarHBondContact O-N 3.33Å; S52-T55 PolarHBondContact O-OG1 2.83Å; V53-T55 VanDerWaalsContact C-N 3.3Å; V53-T55 PolarHBondContact O-N 3.4Å; T55-V70 PolarHBondContact N-O 2.98Å; T55-V70 PolarHBondContact O-N 3.38Å; T55-V70 VanDerWaalsContact O-N 3.1Å
56R96.1Very high95.2Very high34 Ų3443.5 Ų43.513%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-113.2135172-71.5-178.1-179.876.8-3.6108.7V68 Y69 F91 D95 I151 I152R56-V68 WeakPolarHBondContact CA-O 3.43Å; R56-Y69 HydrophobicContact CG-CD2 3.48Å; R56-Y69 VanDerWaalsContact CG-CD2 3.48Å; R56-Y69 HydrophobicContact CG-CE2 4.18Å; R56-Y69 HydrophobicContact CG-CG 3.88Å; R56-Y69 VanDerWaalsContact NH2-CE1 3.31Å; R56-F91 HydrophobicContact CB-CD1 4.25Å; R56-F91 HydrophobicContact CB-CE1 3.67Å; R56-F91 HydrophobicContact CB-CZ 4.19Å; R56-F91 HydrophobicContact CG-CD1 4.05Å; R56-F91 HydrophobicContact CG-CE1 3.92Å; R56-D95 IonicContact CZ-OD1 3.23Å; R56-D95 IonicContact NE-OD1 3.15Å; R56-D95 IonicContact NH2-OD1 3.72Å; R56-D95 PolarHBondContact NH2-OD1 2.89Å; R56-D95 IonicContact NH2-OD2 2.78Å; R56-D95 PolarHBondContact NH2-OD2 3.31Å; R56-I151 HydrophobicContact CB-CG1 4.22Å; R56-I152 PolarHBondContact O-N 2.7Å
57A97.2Very high95.3Very high1 Ų143.3 Ų43.31%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-138.9154.9177.800000111.7T51 V68 I152T51-A57 HydrophobicContact CG2-CB 4.26Å; A57-V68 HydrophobicContact CB-CG1 3.7Å; A57-V68 PolarHBondContact N-O 3.29Å; A57-V68 WeakPolarHBondContact O-CG1 3.41Å; A57-V68 PolarHBondContact O-N 3.07Å; A57-I152 CarbonylContact C-O 3.58Å; A57-I152 WeakPolarHBondContact CA-O 3.48Å; A57-I152 HydrophobicContact CB-CB 4.09Å
58S97.4Very high95.3Very high0 Ų043.3 Ų43.30%022%0.219CC..EExtended strand (participates in β ladder)trans-124.6132.4169.8-53.80000108.6C66 H67 Q87 I151 I152 H154S58-C66 CarbonylContact C-O 3.51Å; S58-C66 VanDerWaalsContact CA-O 3.3Å; S58-C66 WeakPolarHBondContact CA-O 3.44Å; S58-H67 PolarHBondContact OG-ND1 2.92Å; S58-Q87 PolarHBondContact OG-OE1 3.16Å; S58-I151 WeakPolarHBondContact OG-CG2 3.36Å; S58-I152 PolarHBondContact N-O 2.76Å; S58-H154 PolarHBondContact O-N 2.94Å
59V97.4Very high95.4Very high0 Ų045 Ų450%023%0.226CC..EExtended strand (participates in β ladder)trans-120.4112.5-178-172.10000107.3I47 C66 H154 M157 L160I47-V59 HydrophobicContact CD1-CB 4.15Å; I47-V59 HydrophobicContact CD1-CG2 4.09Å; I47-V59 HydrophobicContact CG1-CG2 4.16Å; I47-V59 HydrophobicContact CG2-CG2 4.07Å; V59-C66 HydrophobicContact CB-CB 4.3Å; V59-C66 PolarHBondContact N-O 3.49Å; V59-C66 PolarHBondContact O-N 3.36Å; V59-H154 WeakPolarHBondContact CA-O 3.3Å; V59-H154 HydrophobicContact CB-CB 4.29Å; V59-H154 HydrophobicContact CG1-CB 4.12Å; V59-H154 HydrophobicContact CG2-CB 4.1Å; V59-M157 HydrophobicContact CG1-CE 3.99Å; V59-L160 HydrophobicContact CG1-CD1 4.07Å; V59-L160 HydrophobicContact CG2-CD1 3.65Å; V59-L160 HydrophobicContact CG2-CG 4.34Å
60K95.1Very high95.5Very high98 Ų9842 Ų4243%0.42621%0.212SC..EExtended strand (participates in β ladder)trans-81.7137174.6-177.2174.9-1791780109Q62 L65 H154 N155 T156K60-Q62 WeakPolarHBondContact CE-O 3.23Å; K60-L65 HydrophobicContact CB-CD1 3.82Å; K60-L65 HydrophobicContact CG-CD1 4.42Å; K60-H154 PolarHBondContact N-O 3.19Å; K60-N155 CarbonylContact O-C 3.37Å; K60-T156 WeakPolarHBondContact O-CA 3.3Å; K60-T156 PolarHBondContact O-N 2.89Å
61E89.6Confident95.6Very high54 Ų5441 Ų4125%0.25221%0.208SC..EExtended strand (participates in β ladder)trans-143.5103.7171.8-173.160.9-14200107.8E63 Y64 M157E61-E63 PolarHBondContact O-N 3.48Å; E61-Y64 PolarHBondContact N-O 2.94Å; E61-Y64 WeakPolarHBondContact O-CB 3.48Å; E61-Y64 PolarHBondContact O-N 3.34Å; E61-M157 VanDerWaalsContact OE2-CB 3.3Å; E61-M157 WeakPolarHBondContact OE2-CB 3.49Å; E61-M157 PolarHBondContact OE2-N 3.31Å
62Q87.6Confident95.6Very high130 Ų13046.9 Ų46.961%0.60724%0.239SC*.THydrogen-bonded Turntrans54.3-119.9-172.5-55.6177.2-4.600112K60 Y64K60-Q62 WeakPolarHBondContact CE-O 3.23Å; Q62-Y64 VanDerWaalsContact C-N 3.35Å
63E89.4Confident95.7Very high150 Ų15045.9 Ų45.970%0.70123%0.227SC*.THydrogen-bonded Turntrans-87-6.2179-59.3-173.5147.400113.2E61 S83E61-E63 PolarHBondContact O-N 3.48Å; E63-S83 PolarHBondContact O-N 3.45Å; E63-S83 PolarHBondContact O-OG 3.49Å
64Y94.4Very high95.8Very high69 Ų6945.5 Ų45.527%0.27122%0.223SC..EExtended strand (participates in β ladder)trans-96.2149.7-179.1-56.1-81.7000111.3Y4 F28 E61 Q62 S81Y4-Y64 AromaticContact CD2-CD1 3.84Å; Y4-Y64 HydrophobicContact CD2-CD1 3.84Å; Y4-Y64 AromaticContact CD2-CE1 3.98Å; Y4-Y64 HydrophobicContact CD2-CE1 3.98Å; Y4-Y64 AromaticContact CE2-CD1 3.5Å; Y4-Y64 HydrophobicContact CE2-CD1 3.5Å; 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 3.79Å; F28-Y64 WeakPolarHBondContact CE1-OH 3.05Å; F28-Y64 HydrophobicContact CZ-CE1 4.18Å; E61-Y64 PolarHBondContact N-O 2.94Å; E61-Y64 WeakPolarHBondContact O-CB 3.48Å; E61-Y64 PolarHBondContact O-N 3.34Å; Q62-Y64 VanDerWaalsContact C-N 3.35Å; Y64-S81 WeakPolarHBondContact CA-O 3.13Å
65L96.7Very high95.9Very high20 Ų2044 Ų4411%0.10521%0.208CC..EExtended strand (participates in β ladder)trans-129.5126.1174.3-161.659.6000108.8K60 H67 S81K60-L65 HydrophobicContact CB-CD1 3.82Å; K60-L65 HydrophobicContact CG-CD1 4.42Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.32Å; L65-H67 WeakPolarHBondContact CD2-NE2 3.45Å; L65-S81 PolarHBondContact N-O 3.15Å; L65-S81 PolarHBondContact O-N 3.39Å; L65-S81 PolarHBondContact O-OG 2.96Å
66C98Very high96Very high4 Ų442.2 Ų42.23%0.02720%0.197CC..EExtended strand (participates in β ladder)trans-108.1116.1178.6-54.10000108.4I47 S58 V59 V79 I80I47-C66 HydrophobicContact CD1-CB 3.28Å; S58-C66 CarbonylContact C-O 3.51Å; S58-C66 VanDerWaalsContact CA-O 3.3Å; S58-C66 WeakPolarHBondContact CA-O 3.44Å; V59-C66 HydrophobicContact CB-CB 4.3Å; V59-C66 PolarHBondContact N-O 3.49Å; V59-C66 PolarHBondContact O-N 3.36Å; C66-V79 CarbonylContact C-O 3.57Å; C66-V79 WeakPolarHBondContact CA-O 3.45Å; C66-I80 HydrophobicContact CB-CG1 4.31Å
67H98Very high96.2Very high0 Ų040.6 Ų40.60%019%0.191CC..EExtended strand (participates in β ladder)trans-102.7134.1175.9-55.3-77.1000109.7S58 L65 V78 V79 C90 F91 L94S58-H67 PolarHBondContact OG-ND1 2.92Å; L65-H67 WeakPolarHBondContact CD2-CE1 3.32Å; L65-H67 WeakPolarHBondContact CD2-NE2 3.45Å; H67-V78 CarbonylContact O-C 3.48Å; H67-V78 VanDerWaalsContact O-CA 3.3Å; H67-V78 WeakPolarHBondContact O-CA 3.46Å; H67-V79 HydrophobicContact CB-CG1 3.79Å; H67-V79 PolarHBondContact N-O 3.47Å; H67-V79 PolarHBondContact O-N 3.09Å; H67-C90 HydrophobicContact CB-CB 4.15Å; H67-C90 VanDerWaalsContact CD2-CB 3.43Å; H67-C90 WeakPolarHBondContact CD2-CB 3.22Å; H67-C90 PolarHBondContact CD2-SG 3.01Å; H67-F91 HydrophobicContact CB-CE1 4.3Å; H67-F91 HydrophobicContact CB-CE2 4.33Å; H67-F91 HydrophobicContact CB-CZ 4Å; H67-F91 AromaticContact ND1-CE2 3.75Å; H67-L94 HydrophobicContact CB-CD1 4.23Å
68V98.5Very high96.2Very high0 Ų040.5 Ų40.50%019%0.19CC..EExtended strand (participates in β ladder)trans-130.3139.8-178.757.60000110.6I47 T51 R56 A57 V70 A77 V78 F91I47-V68 HydrophobicContact CG2-CB 3.63Å; I47-V68 HydrophobicContact CG2-CG1 3.4Å; I47-V68 VanDerWaalsContact CG2-CG1 3.4Å; I47-V68 HydrophobicContact CG2-CG2 4.08Å; T51-V68 HydrophobicContact CG2-CG1 4.07Å; T51-V68 HydrophobicContact CG2-CG2 4.49Å; T51-V68 WeakPolarHBondContact OG1-CG1 3.33Å; R56-V68 WeakPolarHBondContact CA-O 3.43Å; A57-V68 HydrophobicContact CB-CG1 3.7Å; A57-V68 PolarHBondContact N-O 3.29Å; A57-V68 WeakPolarHBondContact O-CG1 3.41Å; A57-V68 PolarHBondContact O-N 3.07Å; V68-V70 HydrophobicContact CG2-CG2 3.98Å; V68-A77 WeakPolarHBondContact CA-O 3.3Å; V68-V78 HydrophobicContact CB-CG2 4.06Å; V68-V78 HydrophobicContact CG2-CG2 3.82Å; V68-F91 WeakPolarHBondContact O-CE1 3.45Å
69Y97.9Very high96.3Very high36 Ų3640.5 Ų40.514%0.14119%0.19CC..EExtended strand (participates in β ladder)trans-126.3123.3165.4177-150.7000109.2R56 R71 S76 A77 D95 L98R56-Y69 HydrophobicContact CG-CD2 3.48Å; R56-Y69 VanDerWaalsContact CG-CD2 3.48Å; R56-Y69 HydrophobicContact CG-CE2 4.18Å; R56-Y69 HydrophobicContact CG-CG 3.88Å; R56-Y69 VanDerWaalsContact NH2-CE1 3.31Å; Y69-R71 HydrophobicContact CD1-CG 4.32Å; Y69-R71 HydrophobicContact CE1-CG 3.61Å; Y69-R71 HydrophobicContact CE2-CG 4.24Å; Y69-S76 CarbonylContact O-C 3.56Å; Y69-S76 WeakPolarHBondContact O-CA 3.31Å; Y69-S76 WeakPolarHBondContact O-CB 3.37Å; Y69-A77 PolarHBondContact N-O 3.22Å; Y69-A77 PolarHBondContact O-N 2.95Å; Y69-D95 WeakPolarHBondContact CD1-OD1 3.43Å; Y69-D95 WeakPolarHBondContact CE1-OD1 3.16Å; Y69-L98 HydrophobicContact CD1-CD1 3.41Å; Y69-L98 VanDerWaalsContact CD1-CD1 3.41Å; Y69-L98 HydrophobicContact CE1-CD1 3.97Å; Y69-L98 HydrophobicContact CG-CD1 4.12Å
70V98.1Very high96.3Very high0 Ų040.8 Ų40.80%019%0.192CC..EExtended strand (participates in β ladder)trans-108.5115.3171.6-173.40000108.3K11 T51 V53 G54 T55 V68K11-V70 HydrophobicContact CB-CG1 4.41Å; K11-V70 HydrophobicContact CD-CG1 3.78Å; T51-V70 HydrophobicContact CG2-CG2 3.72Å; V53-V70 HydrophobicContact CG2-CG1 4.26Å; G54-V70 CarbonylContact C-O 3.55Å; G54-V70 WeakPolarHBondContact CA-O 3.37Å; G54-V70 PolarHBondContact N-O 3.48Å; T55-V70 PolarHBondContact N-O 2.98Å; T55-V70 PolarHBondContact O-N 3.38Å; T55-V70 VanDerWaalsContact O-N 3.1Å; V68-V70 HydrophobicContact CG2-CG2 3.98Å
71R97.3Very high96.4Very high53 Ų5336.1 Ų36.120%0.217%0.172CC..  trans-75.6165.1176.7-72.2167.450.6152.43.6111.7V53 Y69 D73 N74 L75 L98 S102V53-R71 WeakPolarHBondContact CG1-O 3.33Å; Y69-R71 HydrophobicContact CD1-CG 4.32Å; Y69-R71 HydrophobicContact CE1-CG 3.61Å; Y69-R71 HydrophobicContact CE2-CG 4.24Å; R71-D73 WeakPolarHBondContact CB-OD1 3.26Å; R71-D73 IonicContact CZ-OD1 3.08Å; R71-D73 IonicContact CZ-OD2 3.92Å; R71-D73 VanDerWaalsContact CZ-OD2 3.31Å; R71-D73 IonicContact NE-OD1 3.11Å; R71-D73 PolarHBondContact NE-OD1 2.97Å; R71-D73 VanDerWaalsContact NE-OD1 3.11Å; R71-D73 IonicContact NE-OD2 3.33Å; R71-D73 PolarHBondContact NE-OD2 3.2Å; R71-D73 IonicContact NH2-OD1 3.83Å; R71-D73 IonicContact NH2-OD2 2.89Å; R71-D73 PolarHBondContact NH2-OD2 3.16Å; R71-D73 PolarHBondContact O-N 2.82Å; R71-N74 PolarHBondContact O-N 3.48Å; R71-N74 VanDerWaalsContact O-N 3.11Å; R71-L75 VanDerWaalsContact CB-O 3.31Å; R71-L75 WeakPolarHBondContact CB-O 3.36Å; R71-L75 PolarHBondContact N-O 2.97Å; R71-L98 HydrophobicContact CG-CD1 4.16Å; R71-L98 PolarHBondContact NH1-O 3.28Å; R71-S102 PolarHBondContact NH1-OG 3.49Å
72N96.5Very high96.7Very high130 Ų13034.4 Ų34.470%0.69516%0.164SC*.THydrogen-bonded Turntrans-64.6-21.4178.6-68.5-37.5000114.3G54 N74G54-N72 WeakPolarHBondContact CA-OD1 3.29Å; N72-N74 VanDerWaalsContact C-N 3.28Å
73D97.1Very high96.9Very high57 Ų5731.2 Ų31.231%0.30516%0.156SC..THydrogen-bonded Turntrans-91.315175.857.5-0.2000112.9R71 L75 W110R71-D73 WeakPolarHBondContact CB-OD1 3.26Å; R71-D73 IonicContact CZ-OD1 3.08Å; R71-D73 IonicContact CZ-OD2 3.92Å; R71-D73 VanDerWaalsContact CZ-OD2 3.31Å; R71-D73 IonicContact NE-OD1 3.11Å; R71-D73 PolarHBondContact NE-OD1 2.97Å; R71-D73 VanDerWaalsContact NE-OD1 3.11Å; R71-D73 IonicContact NE-OD2 3.33Å; R71-D73 PolarHBondContact NE-OD2 3.2Å; R71-D73 IonicContact NH2-OD1 3.83Å; R71-D73 IonicContact NH2-OD2 2.89Å; R71-D73 PolarHBondContact NH2-OD2 3.16Å; R71-D73 PolarHBondContact O-N 2.82Å; D73-L75 PolarHBondContact O-N 3.46Å; D73-L75 PolarHBondContact OD1-N 3.33Å; D73-W110 HydrophobicContact CB-CZ3 4.39Å
74N97.8Very high97Very high50 Ų5030.6 Ų30.627%0.26715%0.153SC..SBendtrans66.44.3-179-55.2-70.7000115.5Y10 K11 V53 R71 N72Y10-N74 HydrophobicContact CD2-CB 4.25Å; Y10-N74 HydrophobicContact CE2-CB 3.76Å; K11-N74 HydrophobicContact CB-CB 4.22Å; K11-N74 PolarHBondContact N-O 3.05Å; K11-N74 WeakPolarHBondContact O-CB 3.48Å; V53-N74 VanDerWaalsContact CG2-OD1 3.27Å; V53-N74 WeakPolarHBondContact CG2-OD1 3.34Å; R71-N74 PolarHBondContact O-N 3.48Å; R71-N74 VanDerWaalsContact O-N 3.11Å; N72-N74 VanDerWaalsContact C-N 3.28Å
75L98.4Very high97Very high0 Ų027.5 Ų27.50%014%0.141CC..EExtended strand (participates in β ladder)trans-73.6132.3168.5-167.369.9000109.2V8 L19 R71 D73 L98 F101 W110V8-L75 HydrophobicContact CG1-CD1 3.87Å; V8-L75 HydrophobicContact CG1-CG 4.43Å; L19-L75 HydrophobicContact CD1-CD1 3.89Å; R71-L75 VanDerWaalsContact CB-O 3.31Å; R71-L75 WeakPolarHBondContact CB-O 3.36Å; R71-L75 PolarHBondContact N-O 2.97Å; D73-L75 PolarHBondContact O-N 3.46Å; D73-L75 PolarHBondContact OD1-N 3.33Å; L75-L98 HydrophobicContact CB-CD2 4.37Å; L75-L98 HydrophobicContact CD2-CB 4.47Å; L75-L98 HydrophobicContact CD2-CD2 3.65Å; L75-L98 HydrophobicContact CG-CD2 3.55Å; L75-F101 HydrophobicContact CD1-CD1 3.95Å; L75-F101 HydrophobicContact CD1-CE1 3.89Å; L75-F101 HydrophobicContact CD2-CD1 4Å; L75-W110 HydrophobicContact CB-CE3 4.17Å; L75-W110 HydrophobicContact CB-CH2 4.35Å; L75-W110 HydrophobicContact CB-CZ3 3.89Å; L75-W110 HydrophobicContact CD1-CD2 3.91Å; L75-W110 HydrophobicContact CD1-CE3 4.05Å; L75-W110 HydrophobicContact CD1-CG 4.4Å; L75-W110 HydrophobicContact CD1-CZ3 4.4Å; L75-W110 HydrophobicContact CD2-CH2 4.14Å; L75-W110 HydrophobicContact CD2-CZ2 4.22Å; L75-W110 HydrophobicContact CD2-CZ3 4.47Å; L75-W110 HydrophobicContact CG-CZ3 4.47Å
76S98.4Very high96.8Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-135.5151.8-176.563.90000111.7V8 L9 Y69V8-S76 CarbonylContact C-O 3.45Å; V8-S76 WeakPolarHBondContact CA-O 3.41Å; L9-S76 PolarHBondContact N-O 3.49Å; L9-S76 WeakPolarHBondContact O-CA 3.17Å; L9-S76 PolarHBondContact O-N 3.28Å; L9-S76 VanDerWaalsContact O-O 3.09Å; L9-S76 PolarHBondContact O-OG 3.16Å; Y69-S76 CarbonylContact O-C 3.56Å; Y69-S76 WeakPolarHBondContact O-CA 3.31Å; Y69-S76 WeakPolarHBondContact O-CB 3.37Å
77A98.6Very high96.5Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-134.8144.9172.500000110.2S7 V8 V68 Y69 L94 L98S7-A77 CarbonylContact O-C 3.44Å; S7-A77 WeakPolarHBondContact O-CA 3.42Å; S7-A77 WeakPolarHBondContact O-CB 3.41Å; V8-A77 HydrophobicContact CG2-CB 4.41Å; V68-A77 WeakPolarHBondContact CA-O 3.3Å; Y69-A77 PolarHBondContact N-O 3.22Å; Y69-A77 PolarHBondContact O-N 2.95Å; A77-L94 HydrophobicContact CB-CB 4.48Å; A77-L94 HydrophobicContact CB-CD2 3.65Å; A77-L98 HydrophobicContact CB-CD1 3.92Å; A77-L98 HydrophobicContact CB-CD2 3.76Å; A77-L98 HydrophobicContact CB-CG 3.71Å
78V98.7Very high96Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-127.3134.1177.6-1750000109L6 S7 L9 A48 H67 V68 I80L6-V78 WeakPolarHBondContact CA-O 3.21Å; S7-V78 PolarHBondContact N-O 3.02Å; S7-V78 PolarHBondContact O-N 2.83Å; S7-V78 PolarHBondContact OG-O 3.44Å; L9-V78 HydrophobicContact CD1-CB 4.48Å; L9-V78 HydrophobicContact CD1-CG2 3.97Å; A48-V78 HydrophobicContact CB-CG2 4.5Å; H67-V78 CarbonylContact O-C 3.48Å; H67-V78 VanDerWaalsContact O-CA 3.3Å; H67-V78 WeakPolarHBondContact O-CA 3.46Å; V68-V78 HydrophobicContact CB-CG2 4.06Å; V68-V78 HydrophobicContact CG2-CG2 3.82Å; V78-I80 HydrophobicContact CG1-CG1 4.39Å
79V98.6Very high95.7Very high0 Ų037.6 Ų37.60%019%0.187CC..EExtended strand (participates in β ladder)trans-121.4132.9169.463.20000108.9L3 S5 L6 C66 H67 C90 L93 L94L3-V79 HydrophobicContact CD1-CG2 4.36Å; L3-V79 HydrophobicContact CD2-CG2 3.83Å; S5-V79 WeakPolarHBondContact O-CA 3.23Å; S5-V79 WeakPolarHBondContact O-CG2 3.47Å; L6-V79 HydrophobicContact CD1-CB 4.03Å; L6-V79 HydrophobicContact CD1-CG2 4.38Å; C66-V79 CarbonylContact C-O 3.57Å; C66-V79 WeakPolarHBondContact CA-O 3.45Å; H67-V79 HydrophobicContact CB-CG1 3.79Å; H67-V79 PolarHBondContact N-O 3.47Å; H67-V79 PolarHBondContact O-N 3.09Å; V79-C90 HydrophobicContact CG1-CB 3.75Å; V79-L93 HydrophobicContact CG2-CD2 4.26Å; V79-L94 HydrophobicContact CB-CD2 3.96Å; V79-L94 HydrophobicContact CG1-CD1 4.25Å; V79-L94 HydrophobicContact CG1-CD2 3.87Å; V79-L94 HydrophobicContact CG1-CG 4.06Å
80I98.4Very high95.5Very high6 Ų635.9 Ų35.93%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-110.2125175.9-56-179000107.6Y4 S5 M40 T43 C66 V78Y4-I80 HydrophobicContact CD2-CG2 4.41Å; Y4-I80 PolarHBondContact N-O 2.83Å; S5-I80 PolarHBondContact N-O 2.83Å; S5-I80 PolarHBondContact O-N 3.19Å; S5-I80 WeakPolarHBondContact OG-CB 3.4Å; S5-I80 WeakPolarHBondContact OG-CD1 3.43Å; S5-I80 VanDerWaalsContact OG-CG1 3.31Å; S5-I80 WeakPolarHBondContact OG-CG1 3.28Å; M40-I80 HydrophobicContact CB-CD1 3.91Å; M40-I80 HydrophobicContact CG-CD1 3.94Å; T43-I80 HydrophobicContact CG2-CD1 4.26Å; C66-I80 HydrophobicContact CB-CG1 4.31Å; V78-I80 HydrophobicContact CG1-CG1 4.39Å
81S97.4Very high95.3Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-131.8174.2-178.767.60000111.1K2 Y64 L65K2-S81 VanDerWaalsContact O-CA 3.28Å; K2-S81 WeakPolarHBondContact O-CA 3.41Å; K2-S81 WeakPolarHBondContact O-CB 3.43Å; Y64-S81 WeakPolarHBondContact CA-O 3.13Å; L65-S81 PolarHBondContact N-O 3.15Å; L65-S81 PolarHBondContact O-N 3.39Å; L65-S81 PolarHBondContact O-OG 2.96Å
82D94.6Very high95Very high18 Ų1833.9 Ų33.910%0.09617%0.174CC..EExtended strand (participates in β ladder)trans-70161.5156.659.327.7000111.2M1 K2 Y4 E84 Y85M1-D82 VanDerWaalsContact CA-CG 3.44Å; M1-D82 VanDerWaalsContact CA-OD1 3.23Å; M1-D82 WeakPolarHBondContact CA-OD1 2.83Å; M1-D82 WeakPolarHBondContact CA-OD2 3.23Å; M1-D82 PolarHBondContact N-OD2 3.23Å; K2-D82 VanDerWaalsContact N-CG 3.25Å; K2-D82 PolarHBondContact N-OD1 2.95Å; K2-D82 PolarHBondContact N-OD2 3.2Å; K2-D82 PolarHBondContact O-N 3.12Å; Y4-D82 HydrophobicContact CE2-CB 4.28Å; D82-E84 PolarHBondContact O-N 2.83Å; D82-Y85 PolarHBondContact O-N 2.86Å; D82-Y85 WeakPolarHBondContact OD1-CB 3.41Å; D82-Y85 PolarHBondContact OD1-N 2.85Å
83S91.9Very high94.9Very high63 Ų6327.7 Ų27.744%0.44114%0.141SC..THydrogen-bonded Turntrans-68.3-16.3178.958.80000114.4E63E63-S83 PolarHBondContact O-N 3.45Å; E63-S83 PolarHBondContact O-OG 3.49Å
84E91.8Very high94.9Very high137 Ų13725 Ų2564%0.6413%0.126SC*.THydrogen-bonded Turntrans-80.7-22.8176.4-59-177.4129.600112.6M1 D82M1-E84 WeakPolarHBondContact CE-O 3.43Å; M1-E84 HydrophobicContact CG-CB 3.81Å; M1-E84 PolarHBondContact N-OE2 2.79Å; M1-E84 VanDerWaalsContact N-OE2 3.12Å; D82-E84 PolarHBondContact O-N 2.83Å
85Y94.4Very high94.7Very high4 Ų424.3 Ų24.32%0.01612%0.122CC..SBendtrans-64.4135.4-178.9-164.6-78.5000110.7L3 D82 Q87 V89 C90 Y130 P133L3-Y85 HydrophobicContact CD1-CE2 4.12Å; L3-Y85 HydrophobicContact CD2-CD1 3.76Å; L3-Y85 HydrophobicContact CD2-CD2 3.66Å; L3-Y85 HydrophobicContact CD2-CE1 3.72Å; L3-Y85 HydrophobicContact CD2-CE2 3.62Å; L3-Y85 HydrophobicContact CD2-CG 3.74Å; L3-Y85 HydrophobicContact CG-CD2 3.98Å; L3-Y85 HydrophobicContact CG-CE1 4.37Å; L3-Y85 HydrophobicContact CG-CE2 3.57Å; D82-Y85 PolarHBondContact O-N 2.86Å; D82-Y85 WeakPolarHBondContact OD1-CB 3.41Å; D82-Y85 PolarHBondContact OD1-N 2.85Å; Y85-Q87 PolarHBondContact O-N 3Å; Y85-Q87 VanDerWaalsContact O-N 3.16Å; Y85-V89 HydrophobicContact CE1-CB 3.88Å; Y85-V89 HydrophobicContact CE1-CG1 3.86Å; Y85-V89 VanDerWaalsContact OH-CG1 3.24Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.44Å; Y85-C90 WeakPolarHBondContact CD1-SG 3.39Å; Y85-C90 VanDerWaalsContact CE1-SG 3.55Å; Y85-Y130 WeakPolarHBondContact CE2-O 3.17Å; Y85-Y130 PolarHBondContact OH-O 2.69Å; Y85-P133 HydrophobicContact CD2-CG 4.16Å; Y85-P133 HydrophobicContact CE2-CG 3.62Å
86P92.5Very high94.4Very high46 Ų4627.4 Ų27.430%0.29914%0.136SC..  trans-71.8118.9-169.1-15.533000110.8M1 R88 V89 C90 P133M1-P86 VanDerWaalsContact CE-CD 3.4Å; M1-P86 HydrophobicContact CE-CG 3.6Å; P86-R88 PolarHBondContact O-N 3.31Å; P86-R88 VanDerWaalsContact O-N 3.13Å; P86-V89 HydrophobicContact CB-CB 4.46Å; P86-V89 HydrophobicContact CB-CG2 4.06Å; P86-V89 HydrophobicContact CG-CG2 4.39Å; P86-V89 WeakPolarHBondContact O-CB 3.19Å; P86-V89 PolarHBondContact O-N 3.4Å; P86-C90 PolarHBondContact O-N 2.82Å; P86-P133 HydrophobicContact CG-CB 4.12Å; P86-P133 HydrophobicContact CG-CG 4.33Å
87Q91.3Very high94.3Very high73 Ų7327.4 Ų27.434%0.34114%0.136SC..Hα-helixtrans-51-39.9-179177.6175.2-67.400113.3S58 Y85 V89 C90 F91 I151S58-Q87 PolarHBondContact OG-OE1 3.16Å; Y85-Q87 PolarHBondContact O-N 3Å; Y85-Q87 VanDerWaalsContact O-N 3.16Å; Q87-V89 VanDerWaalsContact C-N 3.29Å; Q87-V89 PolarHBondContact O-N 2.87Å; Q87-C90 WeakPolarHBondContact O-CB 3.43Å; Q87-C90 PolarHBondContact O-N 2.73Å; Q87-F91 HydrophobicContact CG-CD2 3.72Å; Q87-F91 HydrophobicContact CG-CE2 3.54Å; Q87-F91 WeakPolarHBondContact O-CD2 3.43Å; Q87-F91 PolarHBondContact O-N 3.38Å; Q87-F91 VanDerWaalsContact O-N 3.09Å; Q87-I151 VanDerWaalsContact NE2-CD1 3.26Å
88R88.1Confident94.2Very high112 Ų11227.5 Ų27.542%0.42314%0.136SC..Hα-helixtrans-58.5-41.8178.3-176.9-176.2-71.6147.6-8.8112P86 C90 F91 T92 L146 D147P86-R88 PolarHBondContact O-N 3.31Å; P86-R88 VanDerWaalsContact O-N 3.13Å; R88-C90 VanDerWaalsContact C-N 3.35Å; R88-F91 PolarHBondContact O-N 3.23Å; R88-T92 WeakPolarHBondContact O-CB 3.08Å; R88-T92 PolarHBondContact O-N 2.95Å; R88-T92 PolarHBondContact O-OG1 3.29Å; R88-L146 HydrophobicContact CG-CD1 4.09Å; R88-D147 IonicContact CZ-OD1 3.56Å; R88-D147 IonicContact NE-OD1 3.62Å; R88-D147 IonicContact NH2-OD1 2.91Å; R88-D147 PolarHBondContact NH2-OD1 2.9Å; R88-D147 IonicContact NH2-OD2 3.02Å
89V91.3Very high94Very high5 Ų532.2 Ų32.23%0.0316%0.158CC..Hα-helixtrans-69.9-35.9-180-178.90000110.3Y85 P86 Q87 T92 L93 Y130 P133 A136Y85-V89 HydrophobicContact CE1-CB 3.88Å; Y85-V89 HydrophobicContact CE1-CG1 3.86Å; Y85-V89 VanDerWaalsContact OH-CG1 3.24Å; Y85-V89 WeakPolarHBondContact OH-CG1 3.44Å; P86-V89 HydrophobicContact CB-CB 4.46Å; P86-V89 HydrophobicContact CB-CG2 4.06Å; P86-V89 HydrophobicContact CG-CG2 4.39Å; P86-V89 WeakPolarHBondContact O-CB 3.19Å; P86-V89 PolarHBondContact O-N 3.4Å; Q87-V89 VanDerWaalsContact C-N 3.29Å; Q87-V89 PolarHBondContact O-N 2.87Å; V89-T92 PolarHBondContact O-N 3.32Å; V89-L93 WeakPolarHBondContact O-CB 3.46Å; V89-L93 PolarHBondContact O-N 3.47Å; V89-Y130 HydrophobicContact CG1-CD1 3.85Å; V89-Y130 HydrophobicContact CG1-CE1 4.21Å; V89-P133 HydrophobicContact CG2-CB 4.41Å; V89-A136 HydrophobicContact CG1-CB 3.75Å
90C94.5Very high93.9Very high0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-58.7-52172.2-710000111.9H67 V79 Y85 P86 Q87 R88 T92 L93 L94H67-C90 HydrophobicContact CB-CB 4.15Å; H67-C90 VanDerWaalsContact CD2-CB 3.43Å; H67-C90 WeakPolarHBondContact CD2-CB 3.22Å; H67-C90 PolarHBondContact CD2-SG 3.01Å; V79-C90 HydrophobicContact CG1-CB 3.75Å; Y85-C90 WeakPolarHBondContact CD1-SG 3.39Å; Y85-C90 VanDerWaalsContact CE1-SG 3.55Å; P86-C90 PolarHBondContact O-N 2.82Å; Q87-C90 WeakPolarHBondContact O-CB 3.43Å; Q87-C90 PolarHBondContact O-N 2.73Å; R88-C90 VanDerWaalsContact C-N 3.35Å; C90-T92 PolarHBondContact O-N 2.92Å; C90-L93 WeakPolarHBondContact O-CB 3.43Å; C90-L93 PolarHBondContact O-N 2.84Å; C90-L93 VanDerWaalsContact O-N 3.15Å; C90-L94 WeakPolarHBondContact O-CG 3.39Å; C90-L94 PolarHBondContact O-N 2.74Å
91F93.8Very high93.9Very high1 Ų134 Ų340%0.00417%0.167CC..Hα-helixtrans-66.8-36.7-179.4-75.5-68.5000113.1R56 H67 V68 Q87 R88 L93 L94 D95 L146 I151R56-F91 HydrophobicContact CB-CD1 4.25Å; R56-F91 HydrophobicContact CB-CE1 3.67Å; R56-F91 HydrophobicContact CB-CZ 4.19Å; R56-F91 HydrophobicContact CG-CD1 4.05Å; R56-F91 HydrophobicContact CG-CE1 3.92Å; H67-F91 HydrophobicContact CB-CE1 4.3Å; H67-F91 HydrophobicContact CB-CE2 4.33Å; H67-F91 HydrophobicContact CB-CZ 4Å; H67-F91 AromaticContact ND1-CE2 3.75Å; V68-F91 WeakPolarHBondContact O-CE1 3.45Å; Q87-F91 HydrophobicContact CG-CD2 3.72Å; Q87-F91 HydrophobicContact CG-CE2 3.54Å; Q87-F91 WeakPolarHBondContact O-CD2 3.43Å; Q87-F91 PolarHBondContact O-N 3.38Å; Q87-F91 VanDerWaalsContact O-N 3.09Å; R88-F91 PolarHBondContact O-N 3.23Å; F91-L93 VanDerWaalsContact C-N 3.29Å; F91-L93 PolarHBondContact O-N 2.96Å; F91-L94 HydrophobicContact CD1-CD1 3.94Å; F91-L94 HydrophobicContact CE1-CD1 4.14Å; F91-L94 PolarHBondContact O-N 2.95Å; F91-D95 PolarHBondContact O-N 2.66Å; F91-L146 HydrophobicContact CB-CD1 4.49Å; F91-L146 HydrophobicContact CB-CD2 4.09Å; F91-I151 HydrophobicContact CD2-CD1 3.64Å; F91-I151 HydrophobicContact CD2-CG1 4.37Å; F91-I151 HydrophobicContact CE2-CD1 3.51Å; F91-I151 HydrophobicContact CE2-CG1 3.95Å; F91-I151 HydrophobicContact CE2-CG2 3.81Å; F91-I151 HydrophobicContact CG-CD1 4.46Å; F91-I151 HydrophobicContact CZ-CD1 4.25Å; F91-I151 HydrophobicContact CZ-CG1 4.19Å; F91-I151 HydrophobicContact CZ-CG2 3.76Å
92T91.1Very high93.9Very high10 Ų1035.8 Ų35.86%0.06118%0.179CC..Hα-helixtrans-56.6-44.5170.8-58.40000111.6R88 V89 C90 K96 T140 L146R88-T92 WeakPolarHBondContact O-CB 3.08Å; R88-T92 PolarHBondContact O-N 2.95Å; R88-T92 PolarHBondContact O-OG1 3.29Å; V89-T92 PolarHBondContact O-N 3.32Å; C90-T92 PolarHBondContact O-N 2.92Å; T92-K96 WeakPolarHBondContact O-CB 3.39Å; T92-K96 PolarHBondContact O-N 3.39Å; T92-K96 VanDerWaalsContact O-N 3.12Å; T92-T140 HydrophobicContact CG2-CG2 3.46Å; T92-T140 VanDerWaalsContact CG2-CG2 3.46Å; T92-L146 WeakPolarHBondContact OG1-CD1 3.38Å
93L94.1Very high94Very high0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-62.4-46.2176.7170.860.2000111.3L3 L6 V79 V89 C90 F91 D95 K96 V97 H126 Y130L3-L93 HydrophobicContact CD1-CD2 3.76Å; L6-L93 HydrophobicContact CD1-CD2 4.16Å; L6-L93 HydrophobicContact CD1-CG 4.22Å; L6-L93 HydrophobicContact CD2-CD1 4.21Å; L6-L93 HydrophobicContact CD2-CD2 4.38Å; L6-L93 HydrophobicContact CD2-CG 4.47Å; V79-L93 HydrophobicContact CG2-CD2 4.26Å; V89-L93 WeakPolarHBondContact O-CB 3.46Å; V89-L93 PolarHBondContact O-N 3.47Å; C90-L93 WeakPolarHBondContact O-CB 3.43Å; C90-L93 PolarHBondContact O-N 2.84Å; C90-L93 VanDerWaalsContact O-N 3.15Å; F91-L93 VanDerWaalsContact C-N 3.29Å; F91-L93 PolarHBondContact O-N 2.96Å; L93-D95 PolarHBondContact O-N 2.81Å; L93-K96 PolarHBondContact O-N 2.91Å; L93-V97 HydrophobicContact CD1-CG2 3.68Å; L93-V97 HydrophobicContact CG-CG2 4.36Å; L93-V97 WeakPolarHBondContact O-CB 3.45Å; L93-V97 WeakPolarHBondContact O-CG2 3.45Å; L93-V97 PolarHBondContact O-N 2.98Å; L93-H126 HydrophobicContact CD1-CB 3.85Å; L93-Y130 HydrophobicContact CB-CD1 3.74Å; L93-Y130 HydrophobicContact CB-CE1 3.72Å; L93-Y130 HydrophobicContact CB-CG 4.41Å; L93-Y130 HydrophobicContact CD1-CD1 4.02Å; L93-Y130 HydrophobicContact CD1-CD2 3.83Å; L93-Y130 HydrophobicContact CD1-CE1 4.12Å; L93-Y130 HydrophobicContact CD1-CE2 3.94Å; L93-Y130 HydrophobicContact CD1-CG 3.88Å; L93-Y130 HydrophobicContact CD2-CD1 4.14Å; L93-Y130 HydrophobicContact CD2-CG 4.12Å; L93-Y130 HydrophobicContact CG-CD1 4.18Å; L93-Y130 HydrophobicContact CG-CE1 4.42Å; L93-Y130 HydrophobicContact CG-CG 4.36Å
94L96.3Very high94.2Very high0 Ų044.9 Ų44.90%021%0.207CC..Hα-helixtrans-59.8-46.5178.9-64.5-179.7000111.7L6 H67 A77 V79 C90 F91 K96 V97 L98L6-L94 HydrophobicContact CD1-CD2 4.06Å; H67-L94 HydrophobicContact CB-CD1 4.23Å; A77-L94 HydrophobicContact CB-CB 4.48Å; A77-L94 HydrophobicContact CB-CD2 3.65Å; V79-L94 HydrophobicContact CB-CD2 3.96Å; V79-L94 HydrophobicContact CG1-CD1 4.25Å; V79-L94 HydrophobicContact CG1-CD2 3.87Å; V79-L94 HydrophobicContact CG1-CG 4.06Å; C90-L94 WeakPolarHBondContact O-CG 3.39Å; C90-L94 PolarHBondContact O-N 2.74Å; F91-L94 HydrophobicContact CD1-CD1 3.94Å; F91-L94 HydrophobicContact CE1-CD1 4.14Å; F91-L94 PolarHBondContact O-N 2.95Å; L94-K96 PolarHBondContact O-N 2.78Å; L94-V97 PolarHBondContact O-N 3.05Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 WeakPolarHBondContact O-CD1 3.2Å; L94-L98 VanDerWaalsContact O-CG 3.22Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 3.15Å
95D93.5Very high94.4Very high35 Ų3538.9 Ų38.919%0.18718%0.18CC..Hα-helixtrans-59.4-48.9178.4-72-37000111.4R56 Y69 F91 L93 V97 L98 E99R56-D95 IonicContact CZ-OD1 3.23Å; R56-D95 IonicContact NE-OD1 3.15Å; R56-D95 IonicContact NH2-OD1 3.72Å; R56-D95 PolarHBondContact NH2-OD1 2.89Å; R56-D95 IonicContact NH2-OD2 2.78Å; R56-D95 PolarHBondContact NH2-OD2 3.31Å; Y69-D95 WeakPolarHBondContact CD1-OD1 3.43Å; Y69-D95 WeakPolarHBondContact CE1-OD1 3.16Å; F91-D95 PolarHBondContact O-N 2.66Å; L93-D95 PolarHBondContact O-N 2.81Å; D95-V97 PolarHBondContact O-N 3.34Å; D95-L98 PolarHBondContact O-N 2.94Å; D95-E99 WeakPolarHBondContact O-CB 3.38Å; D95-E99 PolarHBondContact O-N 3.32Å
96K92.8Very high94.5Very high66 Ų6643.3 Ų43.329%0.28720%0.204SC..Hα-helixtrans-60.2-45.7179.4-178.1171.3-174.3164.40112.5T92 L93 L94 E99 E100T92-K96 WeakPolarHBondContact O-CB 3.39Å; T92-K96 PolarHBondContact O-N 3.39Å; T92-K96 VanDerWaalsContact O-N 3.12Å; L93-K96 PolarHBondContact O-N 2.91Å; L94-K96 PolarHBondContact O-N 2.78Å; K96-E99 PolarHBondContact O-N 3.45Å; K96-E100 WeakPolarHBondContact O-CB 3.4Å; K96-E100 PolarHBondContact O-N 3.24Å
97V96.1Very high94.7Very high0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-64.6-43.1-179.2166.10000110.6L6 V8 L93 L94 D95 F101 L123 H126L6-V97 HydrophobicContact CD2-CG2 3.89Å; V8-V97 HydrophobicContact CG2-CG1 3.56Å; L93-V97 HydrophobicContact CD1-CG2 3.68Å; L93-V97 HydrophobicContact CG-CG2 4.36Å; L93-V97 WeakPolarHBondContact O-CB 3.45Å; L93-V97 WeakPolarHBondContact O-CG2 3.45Å; L93-V97 PolarHBondContact O-N 2.98Å; L94-V97 PolarHBondContact O-N 3.05Å; D95-V97 PolarHBondContact O-N 3.34Å; V97-F101 WeakPolarHBondContact O-CB 3.23Å; V97-F101 PolarHBondContact O-N 3.39Å; V97-L123 HydrophobicContact CG1-CD2 3.39Å; V97-L123 HydrophobicContact CG2-CD2 4.39Å; V97-H126 HydrophobicContact CG2-CB 4.19Å
98L97.3Very high95Very high1 Ų147 Ų471%0.00523%0.227CC..Hα-helixtrans-66.7-41.1178.5-71.7167.3000112.1V8 Y69 R71 L75 A77 L94 D95 S102V8-L98 HydrophobicContact CG1-CD2 4.48Å; Y69-L98 HydrophobicContact CD1-CD1 3.41Å; Y69-L98 VanDerWaalsContact CD1-CD1 3.41Å; Y69-L98 HydrophobicContact CE1-CD1 3.97Å; Y69-L98 HydrophobicContact CG-CD1 4.12Å; R71-L98 HydrophobicContact CG-CD1 4.16Å; R71-L98 PolarHBondContact NH1-O 3.28Å; L75-L98 HydrophobicContact CB-CD2 4.37Å; L75-L98 HydrophobicContact CD2-CB 4.47Å; L75-L98 HydrophobicContact CD2-CD2 3.65Å; L75-L98 HydrophobicContact CG-CD2 3.55Å; A77-L98 HydrophobicContact CB-CD1 3.92Å; A77-L98 HydrophobicContact CB-CD2 3.76Å; A77-L98 HydrophobicContact CB-CG 3.71Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 WeakPolarHBondContact O-CD1 3.2Å; L94-L98 VanDerWaalsContact O-CG 3.22Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 3.15Å; D95-L98 PolarHBondContact O-N 2.94Å; L98-S102 WeakPolarHBondContact O-CB 3.46Å; L98-S102 PolarHBondContact O-N 3.27Å; L98-S102 PolarHBondContact O-OG 3.08Å
99E95.1Very high95.4Very high99 Ų9945.3 Ų45.346%0.46323%0.227SC..Hα-helixtrans-62.2-50.2175.7-167.4-163147.700110.9D95 K96 S102 R103D95-E99 WeakPolarHBondContact O-CB 3.38Å; D95-E99 PolarHBondContact O-N 3.32Å; K96-E99 PolarHBondContact O-N 3.45Å; E99-S102 PolarHBondContact O-N 2.54Å; E99-S102 PolarHBondContact O-OG 2.76Å; E99-R103 VanDerWaalsContact CD-NH2 3.25Å; E99-R103 PolarHBondContact O-N 3.35Å; E99-R103 IonicContact OE1-CZ 2.69Å; E99-R103 IonicContact OE1-NH1 3.89Å; E99-R103 PolarHBondContact OE1-NH1 2.8Å; E99-R103 IonicContact OE1-NH2 3.94Å; E99-R103 PolarHBondContact OE1-NH2 2.99Å; E99-R103 IonicContact OE2-NH2 3.88Å
100E95.8Very high95.6Very high45 Ų4545.7 Ų45.721%0.2123%0.228CC..Hα-helixtrans-64.4-43.8179.1-171.1178.9159.300112.8K96 S102 R103 Q104 Y120 H126K96-E100 WeakPolarHBondContact O-CB 3.4Å; K96-E100 PolarHBondContact O-N 3.24Å; E100-S102 PolarHBondContact O-N 3.28Å; E100-R103 PolarHBondContact O-N 2.97Å; E100-Q104 PolarHBondContact O-N 3.08Å; E100-Q104 PolarHBondContact OE1-NE2 3.21Å; E100-Q104 VanDerWaalsContact OE1-NE2 3.1Å; E100-Y120 HydrophobicContact CG-CE2 4.21Å; E100-H126 IonicContact OE1-NE2 3.47Å; E100-H126 IonicContact OE2-CD2 3.31Å; E100-H126 IonicContact OE2-CE1 2.87Å; E100-H126 PolarHBondContact OE2-CE1 3.31Å; E100-H126 VanDerWaalsContact OE2-CE1 3.23Å; E100-H126 IonicContact OE2-NE2 3.71Å; E100-H126 PolarHBondContact OE2-NE2 3.26Å
101F98.1Very high95.7Very high0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-58.8-48.8177.7-176.3-88.2000111.3V8 L19 L75 V97 R103 Q104 V105 W110 I118 Y120V8-F101 HydrophobicContact CB-CD2 4.44Å; V8-F101 HydrophobicContact CG1-CD1 3.99Å; V8-F101 HydrophobicContact CG1-CD2 4.12Å; V8-F101 HydrophobicContact CG1-CE1 4.05Å; V8-F101 HydrophobicContact CG1-CE2 4.18Å; V8-F101 HydrophobicContact CG1-CG 4.03Å; V8-F101 HydrophobicContact CG1-CZ 4.15Å; V8-F101 HydrophobicContact CG2-CD2 4.4Å; L19-F101 HydrophobicContact CB-CE2 4.44Å; L19-F101 HydrophobicContact CB-CZ 3.89Å; L19-F101 HydrophobicContact CD1-CE1 3.62Å; L19-F101 HydrophobicContact CD1-CZ 3.58Å; L19-F101 HydrophobicContact CG-CZ 4.38Å; L75-F101 HydrophobicContact CD1-CD1 3.95Å; L75-F101 HydrophobicContact CD1-CE1 3.89Å; L75-F101 HydrophobicContact CD2-CD1 4Å; V97-F101 WeakPolarHBondContact O-CB 3.23Å; V97-F101 PolarHBondContact O-N 3.39Å; F101-R103 PolarHBondContact O-N 3.47Å; F101-R103 VanDerWaalsContact O-N 3.15Å; F101-Q104 PolarHBondContact O-N 3.46Å; F101-V105 HydrophobicContact CD1-CB 4.27Å; F101-V105 HydrophobicContact CD2-CG2 4.21Å; F101-V105 HydrophobicContact CE1-CB 3.82Å; F101-V105 HydrophobicContact CE1-CG1 4.01Å; F101-V105 HydrophobicContact CE1-CG2 4.22Å; F101-V105 HydrophobicContact CE2-CB 4.33Å; F101-V105 HydrophobicContact CE2-CG2 3.82Å; F101-V105 HydrophobicContact CZ-CB 3.85Å; F101-V105 HydrophobicContact CZ-CG1 3.87Å; F101-V105 HydrophobicContact CZ-CG2 3.82Å; F101-V105 PolarHBondContact O-N 3.1Å; F101-W110 AromaticContact CE1-CD1 3.95Å; F101-W110 AromaticContact CE1-NE1 3.68Å; F101-I118 HydrophobicContact CE2-CG2 3.69Å; F101-I118 HydrophobicContact CZ-CG2 3.77Å; F101-Y120 AromaticContact CD2-CD1 3.63Å; F101-Y120 HydrophobicContact CD2-CD1 3.63Å; F101-Y120 HydrophobicContact CD2-CD2 4.19Å; F101-Y120 HydrophobicContact CD2-CE1 4Å; F101-Y120 AromaticContact CD2-CG 3.71Å; F101-Y120 HydrophobicContact CD2-CG 3.71Å; F101-Y120 HydrophobicContact CE2-CD1 4.19Å; F101-Y120 HydrophobicContact CE2-CG 4.15Å
102S96.9Very high95.8Very high37 Ų3753.1 Ų53.126%0.25928%0.278SS..Hα-helixtrans-65.4-16.9-179.565.30000114.4R71 L98 E99 E100R71-S102 PolarHBondContact NH1-OG 3.49Å; L98-S102 WeakPolarHBondContact O-CB 3.46Å; L98-S102 PolarHBondContact O-N 3.27Å; L98-S102 PolarHBondContact O-OG 3.08Å; E99-S102 PolarHBondContact O-N 2.54Å; E99-S102 PolarHBondContact O-OG 2.76Å; E100-S102 PolarHBondContact O-N 3.28Å
103R96.7Very high95.9Very high162 Ų16253 Ų5361%0.61128%0.279SS*.Hα-helixtrans-83.7-24.6172.1-74.6-173.5-74.1-136.7-10.9113.6E99 E100 F101E99-R103 VanDerWaalsContact CD-NH2 3.25Å; E99-R103 PolarHBondContact O-N 3.35Å; E99-R103 IonicContact OE1-CZ 2.69Å; E99-R103 IonicContact OE1-NH1 3.89Å; E99-R103 PolarHBondContact OE1-NH1 2.8Å; E99-R103 IonicContact OE1-NH2 3.94Å; E99-R103 PolarHBondContact OE1-NH2 2.99Å; E99-R103 IonicContact OE2-NH2 3.88Å; E100-R103 PolarHBondContact O-N 2.97Å; F101-R103 PolarHBondContact O-N 3.47Å; F101-R103 VanDerWaalsContact O-N 3.15Å
104Q96.4Very high96Very high109 Ų10955.7 Ų55.751%0.50929%0.294SS..Hα-helixtrans-102.8-27.6-174.6-66.8-176.932.400113E100 F101 Y120E100-Q104 PolarHBondContact O-N 3.08Å; E100-Q104 PolarHBondContact OE1-NE2 3.21Å; E100-Q104 VanDerWaalsContact OE1-NE2 3.1Å; F101-Q104 PolarHBondContact O-N 3.46Å; Q104-Y120 HydrophobicContact CB-CD2 4.4Å
105V97.1Very high95.9Very high12 Ų1258 Ų587%0.07331%0.309CS..SBendtrans-121.4119.5-176-176.70000108.9F101 D109 W110 I118F101-V105 HydrophobicContact CD1-CB 4.27Å; F101-V105 HydrophobicContact CD2-CG2 4.21Å; F101-V105 HydrophobicContact CE1-CB 3.82Å; F101-V105 HydrophobicContact CE1-CG1 4.01Å; F101-V105 HydrophobicContact CE1-CG2 4.22Å; F101-V105 HydrophobicContact CE2-CB 4.33Å; F101-V105 HydrophobicContact CE2-CG2 3.82Å; F101-V105 HydrophobicContact CZ-CB 3.85Å; F101-V105 HydrophobicContact CZ-CG1 3.87Å; F101-V105 HydrophobicContact CZ-CG2 3.82Å; F101-V105 PolarHBondContact O-N 3.1Å; V105-D109 HydrophobicContact CG1-CB 4.47Å; V105-W110 PolarHBondContact O-NE1 2.96Å; V105-I118 HydrophobicContact CG1-CD1 3.8Å; V105-I118 HydrophobicContact CG1-CG2 4.29Å; V105-I118 HydrophobicContact CG2-CG2 4.04Å
106D96.6Very high96Very high96 Ų9663.8 Ų63.851%0.51334%0.339SS..  trans-65.5140.8-177.9-165.1-57.1000111.4I108 D109 W110D106-I108 HydrophobicContact CB-CG2 4.01Å; D106-I108 PolarHBondContact O-N 3.38Å; D106-I108 VanDerWaalsContact O-N 3.15Å; D106-I108 WeakPolarHBondContact OD1-CG2 3.4Å; D106-I108 PolarHBondContact OD1-N 3.49Å; D106-D109 PolarHBondContact O-N 2.94Å; D106-W110 PolarHBondContact O-NE1 3.49Å; D106-W110 VanDerWaalsContact O-NE1 3.09Å
107S96.6Very high96.1Very high71 Ų7164.9 Ų64.950%0.49735%0.352SS..THydrogen-bonded Turntrans-55.7-25.4176.962.40000115.1D109 W110 P111S107-D109 PolarHBondContact O-N 2.98Å; S107-W110 PolarHBondContact O-N 3.34Å; S107-P111 WeakPolarHBondContact O-CD 3.44Å
108I96.8Very high96.1Very high125 Ų12565.3 Ų65.364%0.64135%0.354SS*.THydrogen-bonded Turntrans-65.5-27.7176.1-163.1162.5000112.7D106D106-I108 HydrophobicContact CB-CG2 4.01Å; D106-I108 PolarHBondContact O-N 3.38Å; D106-I108 VanDerWaalsContact O-N 3.15Å; D106-I108 WeakPolarHBondContact OD1-CG2 3.4Å; D106-I108 PolarHBondContact OD1-N 3.49Å
109D96.3Very high95.9Very high78 Ų7870 Ų7042%0.41739%0.387SS..THydrogen-bonded Turntrans-86.3-19-176.8-64.7-37.5000112.5V105 D106 S107 S112 G113 I118V105-D109 HydrophobicContact CG1-CB 4.47Å; D106-D109 PolarHBondContact O-N 2.94Å; S107-D109 PolarHBondContact O-N 2.98Å; D109-S112 PolarHBondContact O-N 2.94Å; D109-G113 VanDerWaalsContact O-CA 3.26Å; D109-G113 WeakPolarHBondContact O-CA 3.47Å; D109-G113 PolarHBondContact O-N 2.98Å; D109-I118 HydrophobicContact CB-CD1 4.27Å
110W96.5Very high95.9Very high12 Ų1265.4 Ų65.45%0.04537%0.365CS..G310 helixtrans-62.5-43.1-173.9-53.3-10.1000113.5Y10 L19 D73 L75 F101 V105 D106 S107 S112 G113Y10-W110 HydrophobicContact CD2-CB 3.61Å; Y10-W110 HydrophobicContact CD2-CE3 4.16Å; Y10-W110 HydrophobicContact CE2-CB 4.27Å; Y10-W110 HydrophobicContact CE2-CE3 4.38Å; Y10-W110 HydrophobicContact CG-CB 3.94Å; L19-W110 HydrophobicContact CD1-CB 4.07Å; L19-W110 HydrophobicContact CD1-CG 4.11Å; L19-W110 VanDerWaalsContact CD2-O 3.3Å; L19-W110 WeakPolarHBondContact CD2-O 3.42Å; D73-W110 HydrophobicContact CB-CZ3 4.39Å; L75-W110 HydrophobicContact CB-CE3 4.17Å; L75-W110 HydrophobicContact CB-CH2 4.35Å; L75-W110 HydrophobicContact CB-CZ3 3.89Å; L75-W110 HydrophobicContact CD1-CD2 3.91Å; L75-W110 HydrophobicContact CD1-CE3 4.05Å; L75-W110 HydrophobicContact CD1-CG 4.4Å; L75-W110 HydrophobicContact CD1-CZ3 4.4Å; L75-W110 HydrophobicContact CD2-CH2 4.14Å; L75-W110 HydrophobicContact CD2-CZ2 4.22Å; L75-W110 HydrophobicContact CD2-CZ3 4.47Å; L75-W110 HydrophobicContact CG-CZ3 4.47Å; F101-W110 AromaticContact CE1-CD1 3.95Å; F101-W110 AromaticContact CE1-NE1 3.68Å; V105-W110 PolarHBondContact O-NE1 2.96Å; D106-W110 PolarHBondContact O-NE1 3.49Å; D106-W110 VanDerWaalsContact O-NE1 3.09Å; S107-W110 PolarHBondContact O-N 3.34Å; W110-S112 VanDerWaalsContact C-N 3.29Å; W110-S112 PolarHBondContact O-N 3.43Å; W110-G113 PolarHBondContact O-N 3.4Å
111P96.2Very high95.7Very high62 Ų6271.2 Ų71.240%0.40339%0.39SS..G310 helixtrans-64.8-28.6-177.3-23.735.5000114.6Y10 N17 S107Y10-P111 HydrophobicContact CD1-CB 4.35Å; Y10-P111 HydrophobicContact CE1-CB 3.9Å; Y10-P111 HydrophobicContact CE1-CG 3.95Å; Y10-P111 HydrophobicContact CE2-CG 4.4Å; N17-P111 PolarHBondContact ND2-O 3.28Å; S107-P111 WeakPolarHBondContact O-CD 3.44Å
112S94.5Very high95.6Very high95 Ų9571.5 Ų71.566%0.66439%0.393SS*.G310 helixtrans-110.61.7178.951.30000113.7D109 W110D109-S112 PolarHBondContact O-N 2.94Å; W110-S112 VanDerWaalsContact C-N 3.29Å; W110-S112 PolarHBondContact O-N 3.43Å
113G94.7Very high95.5Very high7 Ų769.8 Ų69.87%0.07238%0.381CS..  trans-68.4149.7-176.300000112.6D109 W110D109-G113 VanDerWaalsContact O-CA 3.26Å; D109-G113 WeakPolarHBondContact O-CA 3.47Å; D109-G113 PolarHBondContact O-N 2.98Å; W110-G113 PolarHBondContact O-N 3.4Å
114N95.4Very high95.5Very high58 Ų5866.6 Ų66.631%0.3138%0.376SS..  trans-146.4171172.765.264000109.7L18 L19 D116 T117 I118L18-N114 WeakPolarHBondContact O-CA 3.24Å; L19-N114 CarbonylContact O-C 3.48Å; N114-D116 PolarHBondContact O-N 3.21Å; N114-D116 VanDerWaalsContact O-N 3.08Å; N114-D116 WeakPolarHBondContact OD1-CA 3.47Å; N114-D116 WeakPolarHBondContact OD1-CB 3.38Å; N114-D116 PolarHBondContact OD1-N 3.17Å; N114-T117 PolarHBondContact N-OG1 2.72Å; N114-T117 WeakPolarHBondContact ND2-CG2 3.39Å; N114-T117 PolarHBondContact ND2-OG1 2.96Å; N114-T117 PolarHBondContact O-N 3.01Å; N114-T117 VanDerWaalsContact O-N 3.15Å; N114-T117 PolarHBondContact O-OG1 2.87Å; N114-T117 PolarHBondContact OD1-N 3.04Å; N114-T117 VanDerWaalsContact OD1-N 3.08Å; N114-I118 WeakPolarHBondContact O-CB 3.38Å; N114-I118 VanDerWaalsContact O-CG1 3.31Å; N114-I118 WeakPolarHBondContact O-CG1 3.31Å; N114-I118 PolarHBondContact O-N 3.06Å
115P95.2Very high95.4Very high48 Ų4866.8 Ų66.831%0.31238%0.379SS..THydrogen-bonded Turntrans-59.2-24.4-176.2-26.537.5000114.9L18 L19 K20L18-P115 HydrophobicContact CD2-CG 3.74Å; L18-P115 HydrophobicContact CG-CG 4.01Å; L18-P115 WeakPolarHBondContact O-CD 3.48Å; L19-P115 WeakPolarHBondContact O-CA 3.27Å; K20-P115 PolarHBondContact NZ-O 3.44Å
116D94.3Very high95.3Very high156 Ų15666.8 Ų66.883%0.83438%0.379SS*.THydrogen-bonded Turntrans-85.8-30.1-179-59.1-38.9000112.1N114N114-D116 PolarHBondContact O-N 3.21Å; N114-D116 VanDerWaalsContact O-N 3.08Å; N114-D116 WeakPolarHBondContact OD1-CA 3.47Å; N114-D116 WeakPolarHBondContact OD1-CB 3.38Å; N114-D116 PolarHBondContact OD1-N 3.17Å
117T95.3Very high95.3Very high90 Ų9062.6 Ų62.655%0.55236%0.356SS*.THydrogen-bonded Turntrans-89.8-30.9-179.858.80000113.1N114 S119N114-T117 PolarHBondContact N-OG1 2.72Å; N114-T117 WeakPolarHBondContact ND2-CG2 3.39Å; N114-T117 PolarHBondContact ND2-OG1 2.96Å; N114-T117 PolarHBondContact O-N 3.01Å; N114-T117 VanDerWaalsContact O-N 3.15Å; N114-T117 PolarHBondContact O-OG1 2.87Å; N114-T117 PolarHBondContact OD1-N 3.04Å; N114-T117 VanDerWaalsContact OD1-N 3.08Å; T117-S119 PolarHBondContact O-N 3.45Å
118I96.8Very high95.2Very high8 Ų863.4 Ų63.44%0.04136%0.362CS..  trans-83112.1-177.5-59.7-66.9000110.3L19 K20 F101 V105 D109 N114 Y120L19-I118 HydrophobicContact CB-CG1 4.23Å; L19-I118 HydrophobicContact CD2-CG1 4.35Å; L19-I118 WeakPolarHBondContact O-CB 3.28Å; K20-I118 PolarHBondContact NZ-O 3.31Å; F101-I118 HydrophobicContact CE2-CG2 3.69Å; F101-I118 HydrophobicContact CZ-CG2 3.77Å; V105-I118 HydrophobicContact CG1-CD1 3.8Å; V105-I118 HydrophobicContact CG1-CG2 4.29Å; V105-I118 HydrophobicContact CG2-CG2 4.04Å; D109-I118 HydrophobicContact CB-CD1 4.27Å; N114-I118 WeakPolarHBondContact O-CB 3.38Å; N114-I118 VanDerWaalsContact O-CG1 3.31Å; N114-I118 WeakPolarHBondContact O-CG1 3.31Å; N114-I118 PolarHBondContact O-N 3.06Å; I118-Y120 PolarHBondContact O-N 2.96Å
119S93.3Very high95Very high100 Ų10061.5 Ų61.570%0.69935%0.349SS*.  trans-89.684.6175.8-170.80000111T117T117-S119 PolarHBondContact O-N 3.45Å
120Y95.1Very high94.8Very high3 Ų357.9 Ų57.91%0.01233%0.329CS..  trans-134.4125172-179.8-113.1000109.6K20 E100 F101 Q104 I118 L123K20-Y120 WeakPolarHBondContact CE-O 3.43Å; E100-Y120 HydrophobicContact CG-CE2 4.21Å; F101-Y120 AromaticContact CD2-CD1 3.63Å; F101-Y120 HydrophobicContact CD2-CD1 3.63Å; F101-Y120 HydrophobicContact CD2-CD2 4.19Å; F101-Y120 HydrophobicContact CD2-CE1 4Å; F101-Y120 AromaticContact CD2-CG 3.71Å; F101-Y120 HydrophobicContact CD2-CG 3.71Å; F101-Y120 HydrophobicContact CE2-CD1 4.19Å; F101-Y120 HydrophobicContact CE2-CG 4.15Å; Q104-Y120 HydrophobicContact CB-CD2 4.4Å; I118-Y120 PolarHBondContact O-N 2.96Å; Y120-L123 HydrophobicContact CD1-CD2 4.33Å; Y120-L123 HydrophobicContact CD1-CG 3.8Å; Y120-L123 HydrophobicContact CE1-CB 4.46Å; Y120-L123 HydrophobicContact CE1-CD2 3.68Å; Y120-L123 HydrophobicContact CE1-CG 3.6Å
121K91.9Very high94.8Very high167 Ų16759.5 Ų59.573%0.72634%0.337SS*.  trans-110.2-0.9-176.7-63.1-176.9179.8179.40113.4L123K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 2.94Å
122G94.8Very high94.4Very high6 Ų659.4 Ų59.46%0.06233%0.333CS..Hα-helixtrans-68.7-26.9-175.800000113.7D124 I125 H126G122-D124 PolarHBondContact O-N 2.93Å; G122-I125 PolarHBondContact O-N 3.41Å; G122-H126 PolarHBondContact O-CD2 3.03Å; G122-H126 PolarHBondContact O-N 3.29Å
123L96.1Very high93.9Very high0 Ų055.7 Ų55.70%031%0.307CS..Hα-helixtrans-61.9-46.6-174.1-67.8-173.1000113.6L6 V8 K20 A22 V97 Y120 K121 I125 H126 L127L6-L123 HydrophobicContact CD2-CD2 3.73Å; L6-L123 HydrophobicContact CG-CD2 3.95Å; V8-L123 HydrophobicContact CG2-CD1 4.36Å; V8-L123 HydrophobicContact CG2-CD2 3.95Å; K20-L123 VanDerWaalsContact C-CD1 3.48Å; K20-L123 HydrophobicContact CB-CD1 3.69Å; K20-L123 HydrophobicContact CG-CD1 3.93Å; K20-L123 WeakPolarHBondContact O-CD1 3.35Å; A22-L123 HydrophobicContact CB-CB 3.7Å; V97-L123 HydrophobicContact CG1-CD2 3.39Å; V97-L123 HydrophobicContact CG2-CD2 4.39Å; Y120-L123 HydrophobicContact CD1-CD2 4.33Å; Y120-L123 HydrophobicContact CD1-CG 3.8Å; Y120-L123 HydrophobicContact CE1-CB 4.46Å; Y120-L123 HydrophobicContact CE1-CD2 3.68Å; Y120-L123 HydrophobicContact CE1-CG 3.6Å; K121-L123 VanDerWaalsContact C-N 3.31Å; K121-L123 PolarHBondContact O-N 2.94Å; L123-I125 VanDerWaalsContact C-N 3.27Å; L123-I125 PolarHBondContact O-N 3.1Å; L123-H126 PolarHBondContact O-N 3.46Å; L123-L127 VanDerWaalsContact O-CB 3.28Å; L123-L127 WeakPolarHBondContact O-CB 3.17Å; L123-L127 PolarHBondContact O-N 3.48Å
124D95.5Very high93.1Very high95 Ų9565.6 Ų65.651%0.50834%0.342SS..Hα-helixtrans-62.8-38.4-179.9-61.5-82.4000111.5A22 G122 S128A22-D124 HydrophobicContact CB-CB 4.46Å; A22-D124 WeakPolarHBondContact CB-OD1 3.17Å; G122-D124 PolarHBondContact O-N 2.93Å; D124-S128 VanDerWaalsContact O-CB 3.3Å; D124-S128 WeakPolarHBondContact O-CB 3.17Å; D124-S128 PolarHBondContact O-N 3.39Å
125I94.9Very high91.9Very high113 Ų11368.3 Ų68.358%0.57935%0.353SS*.Hα-helixtrans-65.9-48.2177.9-58.9172.9000110.1G122 L123 S128 K129G122-I125 PolarHBondContact O-N 3.41Å; L123-I125 VanDerWaalsContact C-N 3.27Å; L123-I125 PolarHBondContact O-N 3.1Å; I125-S128 PolarHBondContact O-N 3.41Å; I125-K129 VanDerWaalsContact O-CB 3.25Å; I125-K129 WeakPolarHBondContact O-CB 3.47Å; I125-K129 PolarHBondContact O-N 2.85Å
126H94.9Very high90.5Very high13 Ų1366 Ų666%0.0634%0.339CS..Hα-helixtrans-64.6-45.6178.6-71-52.9000111.5L6 L93 V97 E100 G122 L123 S128 K129 Y130L6-H126 HydrophobicContact CD2-CB 4.12Å; L93-H126 HydrophobicContact CD1-CB 3.85Å; V97-H126 HydrophobicContact CG2-CB 4.19Å; E100-H126 IonicContact OE1-NE2 3.47Å; E100-H126 IonicContact OE2-CD2 3.31Å; E100-H126 IonicContact OE2-CE1 2.87Å; E100-H126 PolarHBondContact OE2-CE1 3.31Å; E100-H126 VanDerWaalsContact OE2-CE1 3.23Å; E100-H126 IonicContact OE2-NE2 3.71Å; E100-H126 PolarHBondContact OE2-NE2 3.26Å; G122-H126 PolarHBondContact O-CD2 3.03Å; G122-H126 PolarHBondContact O-N 3.29Å; L123-H126 PolarHBondContact O-N 3.46Å; H126-S128 VanDerWaalsContact C-N 3.33Å; H126-S128 PolarHBondContact O-N 2.93Å; H126-K129 PolarHBondContact O-N 2.8Å; H126-Y130 WeakPolarHBondContact O-CB 3.28Å; H126-Y130 VanDerWaalsContact O-CD2 3.23Å; H126-Y130 WeakPolarHBondContact O-CD2 3.46Å; H126-Y130 PolarHBondContact O-N 3.47Å
127L95.9Very high88.7Confident8 Ų862 Ų624%0.04232%0.317CS..Hα-helixtrans-59.7-44178.5-178.262.6000111.4L3 L6 A22 D24 L123 Q131L3-L127 HydrophobicContact CB-CD1 3.55Å; L3-L127 HydrophobicContact CD1-CD1 4.21Å; L6-L127 HydrophobicContact CB-CB 4.42Å; L6-L127 HydrophobicContact CB-CD1 4.12Å; L6-L127 HydrophobicContact CD2-CB 4.47Å; A22-L127 HydrophobicContact CB-CB 4.31Å; A22-L127 HydrophobicContact CB-CD2 3.82Å; D24-L127 HydrophobicContact CB-CD2 4.36Å; L123-L127 VanDerWaalsContact O-CB 3.28Å; L123-L127 WeakPolarHBondContact O-CB 3.17Å; L123-L127 PolarHBondContact O-N 3.48Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.18Å; L127-Q131 PolarHBondContact O-NE2 3.03Å
128S94.8Very high86.8Confident88 Ų8862.2 Ų62.262%0.61533%0.328SS*.Hα-helixtrans-65.9-47.2177.3178.70000112.1D124 I125 H126 Y130 Q131D124-S128 VanDerWaalsContact O-CB 3.3Å; D124-S128 WeakPolarHBondContact O-CB 3.17Å; D124-S128 PolarHBondContact O-N 3.39Å; I125-S128 PolarHBondContact O-N 3.41Å; H126-S128 VanDerWaalsContact C-N 3.33Å; H126-S128 PolarHBondContact O-N 2.93Å; S128-Y130 VanDerWaalsContact C-N 3.33Å; S128-Y130 PolarHBondContact O-N 3.22Å; S128-Q131 WeakPolarHBondContact O-CB 3.18Å; S128-Q131 PolarHBondContact O-N 3.31Å
129K92.3Very high84.8Confident84 Ų8465.3 Ų65.337%0.36534%0.343SS..Hα-helixtrans-63.1-38.9-179.4-179.7171.2-177.3164.80112.5I125 H126 Q131 M139I125-K129 VanDerWaalsContact O-CB 3.25Å; I125-K129 WeakPolarHBondContact O-CB 3.47Å; I125-K129 PolarHBondContact O-N 2.85Å; H126-K129 PolarHBondContact O-N 2.8Å; K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 PolarHBondContact O-N 2.87Å; K129-M139 HydrophobicContact CD-CE 4.32Å; K129-M139 VanDerWaalsContact CE-SD 3.57Å; K129-M139 PolarHBondContact NZ-SD 2.87Å
130Y93.5Very high82.9Confident2 Ų261.5 Ų61.51%0.00832%0.315CS..THydrogen-bonded Turntrans-83.34.5-179-77.7-113.2000112.8Y85 V89 L93 H126 S128 N132 A136 M139Y85-Y130 WeakPolarHBondContact CE2-O 3.17Å; Y85-Y130 PolarHBondContact OH-O 2.69Å; V89-Y130 HydrophobicContact CG1-CD1 3.85Å; V89-Y130 HydrophobicContact CG1-CE1 4.21Å; L93-Y130 HydrophobicContact CB-CD1 3.74Å; L93-Y130 HydrophobicContact CB-CE1 3.72Å; L93-Y130 HydrophobicContact CB-CG 4.41Å; L93-Y130 HydrophobicContact CD1-CD1 4.02Å; L93-Y130 HydrophobicContact CD1-CD2 3.83Å; L93-Y130 HydrophobicContact CD1-CE1 4.12Å; L93-Y130 HydrophobicContact CD1-CE2 3.94Å; L93-Y130 HydrophobicContact CD1-CG 3.88Å; L93-Y130 HydrophobicContact CD2-CD1 4.14Å; L93-Y130 HydrophobicContact CD2-CG 4.12Å; L93-Y130 HydrophobicContact CG-CD1 4.18Å; L93-Y130 HydrophobicContact CG-CE1 4.42Å; L93-Y130 HydrophobicContact CG-CG 4.36Å; H126-Y130 WeakPolarHBondContact O-CB 3.28Å; H126-Y130 VanDerWaalsContact O-CD2 3.23Å; H126-Y130 WeakPolarHBondContact O-CD2 3.46Å; H126-Y130 PolarHBondContact O-N 3.47Å; S128-Y130 VanDerWaalsContact C-N 3.33Å; S128-Y130 PolarHBondContact O-N 3.22Å; Y130-N132 PolarHBondContact O-N 3.19Å; Y130-A136 HydrophobicContact CD1-CB 3.44Å; Y130-A136 VanDerWaalsContact CD1-CB 3.44Å; Y130-A136 HydrophobicContact CE1-CB 3.43Å; Y130-A136 VanDerWaalsContact CE1-CB 3.43Å; Y130-A136 HydrophobicContact CG-CB 4.06Å; Y130-M139 HydrophobicContact CE2-CE 3.98Å; Y130-M139 WeakPolarHBondContact OH-CE 3.13Å
131Q94.8Very high80.9Confident46 Ų4671.4 Ų71.422%0.21536%0.359CS..THydrogen-bonded Turntrans-61.6-25.3167.4-68.1-58.8-23.500112.3L3 L127 S128 K129 P133L3-Q131 VanDerWaalsContact N-OE1 3.08Å; L3-Q131 PolarHBondContact O-NE2 3.26Å; L127-Q131 WeakPolarHBondContact O-CG 3.39Å; L127-Q131 PolarHBondContact O-N 3.18Å; L127-Q131 PolarHBondContact O-NE2 3.03Å; S128-Q131 WeakPolarHBondContact O-CB 3.18Å; S128-Q131 PolarHBondContact O-N 3.31Å; K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 PolarHBondContact O-N 2.87Å; Q131-P133 WeakPolarHBondContact O-CD 3.37Å
132N89.3Confident79.2Confident60 Ų6066.2 Ų66.232%0.32134%0.341SS..SBendtrans-105.7102.4171.8-172.6-6.8000110.9Y130 R134 E135 A136Y130-N132 PolarHBondContact O-N 3.19Å; N132-R134 PolarHBondContact O-N 3.01Å; N132-R134 VanDerWaalsContact O-N 3.1Å; N132-R134 PolarHBondContact OD1-N 3.38Å; N132-E135 HydrophobicContact CB-CB 4.39Å; N132-E135 HydrophobicContact CB-CG 4.34Å; N132-E135 PolarHBondContact ND2-OE1 3.27Å; N132-E135 PolarHBondContact O-N 2.8Å; N132-E135 VanDerWaalsContact O-N 3.17Å; N132-A136 PolarHBondContact O-N 2.88Å
133P83.6Confident77.1Confident18 Ų1869.4 Ų69.412%0.11735%0.354CS..Hα-helixtrans-57.4-29.2-178.5-24.431.4000114.3M1 Y85 P86 V89 Q131 A136 D137M1-P133 HydrophobicContact CE-CG 3.96Å; Y85-P133 HydrophobicContact CD2-CG 4.16Å; Y85-P133 HydrophobicContact CE2-CG 3.62Å; P86-P133 HydrophobicContact CG-CB 4.12Å; P86-P133 HydrophobicContact CG-CG 4.33Å; V89-P133 HydrophobicContact CG2-CB 4.41Å; Q131-P133 WeakPolarHBondContact O-CD 3.37Å; P133-A136 WeakPolarHBondContact O-CB 3.3Å; P133-A136 PolarHBondContact O-N 3.36Å; P133-D137 PolarHBondContact O-N 3.02Å; P133-D137 VanDerWaalsContact O-N 3.11Å
134R78.4Confident75Confident215 Ų21573 Ų7381%0.81138%0.384SS*.Hα-helixtrans-71.1-32.9-177.6-64.2-178.1177.6176.60.2112.6N132 A136N132-R134 PolarHBondContact O-N 3.01Å; N132-R134 VanDerWaalsContact O-N 3.1Å; N132-R134 PolarHBondContact OD1-N 3.38Å; R134-A136 VanDerWaalsContact C-N 3.3Å
135E69.8Low73Confident114 Ų11475.2 Ų75.253%0.53339%0.391SS..Hα-helixtrans-76.9-22.9176-70.9175.3-147.800111.8N132N132-E135 HydrophobicContact CB-CB 4.39Å; N132-E135 HydrophobicContact CB-CG 4.34Å; N132-E135 PolarHBondContact ND2-OE1 3.27Å; N132-E135 PolarHBondContact O-N 2.8Å; N132-E135 VanDerWaalsContact O-N 3.17Å
136A64.9Low71.2Confident1 Ų170.7 Ų70.71%0.00837%0.368CS..Hα-helixtrans-75.1-41.8173.200000112.6V89 Y130 N132 P133 R134 A138 M139 T140V89-A136 HydrophobicContact CG1-CB 3.75Å; Y130-A136 HydrophobicContact CD1-CB 3.44Å; Y130-A136 VanDerWaalsContact CD1-CB 3.44Å; Y130-A136 HydrophobicContact CE1-CB 3.43Å; Y130-A136 VanDerWaalsContact CE1-CB 3.43Å; Y130-A136 HydrophobicContact CG-CB 4.06Å; N132-A136 PolarHBondContact O-N 2.88Å; P133-A136 WeakPolarHBondContact O-CB 3.3Å; P133-A136 PolarHBondContact O-N 3.36Å; R134-A136 VanDerWaalsContact C-N 3.3Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 2.7Å; A136-M139 PolarHBondContact O-N 3.46Å; A136-T140 PolarHBondContact O-OG1 3.48Å
137D56.8Low69.3Low71 Ų7175.2 Ų75.238%0.3839%0.393SS..Hα-helixtrans-62.6-34.9-179.1-99.4-19.1000113.1P133 M139 T140 Q143P133-D137 PolarHBondContact O-N 3.02Å; P133-D137 VanDerWaalsContact O-N 3.11Å; D137-M139 PolarHBondContact O-N 2.78Å; D137-T140 PolarHBondContact O-N 2.9Å; D137-T140 VanDerWaalsContact O-N 3.16Å; D137-Q143 PolarHBondContact OD1-NE2 3.47Å
138A55.7Low67.6Low95 Ų9583.3 Ų83.379%0.78543%0.43SS*.THydrogen-bonded Turntrans-63-15.6178.700000114A136A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 2.7Å
139M54.3Low66.4Low73 Ų7381.3 Ų81.336%0.3641%0.414SS..THydrogen-bonded Turntrans-94.4-6.7179.3-67.1-161.6-53.300114.4K129 Y130 A136 D137K129-M139 HydrophobicContact CD-CE 4.32Å; K129-M139 VanDerWaalsContact CE-SD 3.57Å; K129-M139 PolarHBondContact NZ-SD 2.87Å; Y130-M139 HydrophobicContact CE2-CE 3.98Å; Y130-M139 WeakPolarHBondContact OH-CE 3.13Å; A136-M139 PolarHBondContact O-N 3.46Å; D137-M139 PolarHBondContact O-N 2.78Å
140T54.4Low66Low19 Ų1986.6 Ų86.612%0.11744%0.437CS..  trans-107.598.3-160.2-47.80000111.4T92 A136 D137 V142 Q143T92-T140 HydrophobicContact CG2-CG2 3.46Å; T92-T140 VanDerWaalsContact CG2-CG2 3.46Å; A136-T140 PolarHBondContact O-OG1 3.48Å; D137-T140 PolarHBondContact O-N 2.9Å; D137-T140 VanDerWaalsContact O-N 3.16Å; T140-V142 HydrophobicContact CG2-CB 3.53Å; T140-V142 HydrophobicContact CG2-CG2 3.98Å; T140-V142 PolarHBondContact O-N 3.29Å; T140-Q143 PolarHBondContact O-OE1 3.31Å; T140-Q143 VanDerWaalsContact O-OE1 3.05Å
141K53Low65.9Low211 Ų21189 Ų8992%0.91745%0.45SS*.SBendtrans-74.6-5160.5-80.4-176.6175.8-179.60112.6Q143K141-Q143 PolarHBondContact O-N 2.76Å
142V54.7Low65.9Low58 Ų5890.6 Ų90.635%0.35246%0.459SS..THydrogen-bonded Turntrans-7929.8177.1-161.40000111.4T140 A144 E145T140-V142 HydrophobicContact CG2-CB 3.53Å; T140-V142 HydrophobicContact CG2-CG2 3.98Å; T140-V142 PolarHBondContact O-N 3.29Å; V142-A144 VanDerWaalsContact C-N 3.29Å; V142-A144 PolarHBondContact O-N 2.67Å; V142-E145 HydrophobicContact CG1-CB 4.43Å
143Q52.3Low66.1Low73 Ų7393 Ų9334%0.34147%0.471SS..THydrogen-bonded Turntrans-77.4-16.3-176.8-133.271.911.800112.6D137 T140 K141D137-Q143 PolarHBondContact OD1-NE2 3.47Å; T140-Q143 PolarHBondContact O-OE1 3.31Å; T140-Q143 VanDerWaalsContact O-OE1 3.05Å; K141-Q143 PolarHBondContact O-N 2.76Å
144A52.3Low66.6Low75 Ų7594 Ų9462%0.6247%0.474SS*.THydrogen-bonded Turntrans-97.2-31.9-17600000114.1V142V142-A144 VanDerWaalsContact C-N 3.29Å; V142-A144 PolarHBondContact O-N 2.67Å
145E52.3Low67.2Low143 Ų14389.2 Ų89.267%0.66847%0.465SS*.THydrogen-bonded Turntrans-82-27-171.8-65.2-179.9177.400113.6V142 T149V142-E145 HydrophobicContact CG1-CB 4.43Å; E145-T149 PolarHBondContact O-OG1 2.98Å; E145-T149 VanDerWaalsContact O-OG1 3.1Å
146L56.9Low68.2Low17 Ų1786.4 Ų86.49%0.08946%0.456CS..SBendtrans-73.9-27.6-179.5-71.6177.3000113.2R88 F91 T92 E148 T149R88-L146 HydrophobicContact CG-CD1 4.09Å; F91-L146 HydrophobicContact CB-CD1 4.49Å; F91-L146 HydrophobicContact CB-CD2 4.09Å; T92-L146 WeakPolarHBondContact OG1-CD1 3.38Å; L146-E148 VanDerWaalsContact C-N 3.27Å; L146-E148 PolarHBondContact O-N 2.89Å; L146-T149 PolarHBondContact O-N 2.68Å
147D56.1Low69.4Low109 Ų10986.7 Ų86.758%0.58346%0.457SS*.THydrogen-bonded Turntrans-72.4-19.9-177.7-76.2-11.7000112.4R88R88-D147 IonicContact CZ-OD1 3.56Å; R88-D147 IonicContact NE-OD1 3.62Å; R88-D147 IonicContact NH2-OD1 2.91Å; R88-D147 PolarHBondContact NH2-OD1 2.9Å; R88-D147 IonicContact NH2-OD2 3.02Å
148E59.4Low71Confident177 Ų17787 Ų8783%0.82746%0.456SS*.THydrogen-bonded Turntrans-92.7-10.2174.8-65.9-173177.700113.6L146 K150L146-E148 VanDerWaalsContact C-N 3.27Å; L146-E148 PolarHBondContact O-N 2.89Å; E148-K150 PolarHBondContact O-N 2.85Å
149T70.3Confident72.7Confident46 Ų4685.3 Ų85.328%0.28244%0.438SS..SBendtrans-85.1117.7-174.3-59.80000111.2E145 L146 I151E145-T149 PolarHBondContact O-OG1 2.98Å; E145-T149 VanDerWaalsContact O-OG1 3.1Å; L146-T149 PolarHBondContact O-N 2.68Å; T149-I151 PolarHBondContact O-N 3.1Å
150K84.3Confident74.4Confident195 Ų19582.6 Ų82.685%0.84843%0.425SS*.  trans-65.6121174.9-67.8-175.9-179.1179.20110.7E148E148-K150 PolarHBondContact O-N 2.85Å
151I90Very high76.1Confident54 Ų5482.9 Ų82.928%0.27743%0.426SS..EExtended strand (participates in β ladder)trans-105.3123174.6-62.9160.5000108.2R56 S58 Q87 F91 T149R56-I151 HydrophobicContact CB-CG1 4.22Å; S58-I151 WeakPolarHBondContact OG-CG2 3.36Å; Q87-I151 VanDerWaalsContact NE2-CD1 3.26Å; F91-I151 HydrophobicContact CD2-CD1 3.64Å; F91-I151 HydrophobicContact CD2-CG1 4.37Å; F91-I151 HydrophobicContact CE2-CD1 3.51Å; F91-I151 HydrophobicContact CE2-CG1 3.95Å; F91-I151 HydrophobicContact CE2-CG2 3.81Å; F91-I151 HydrophobicContact CG-CD1 4.46Å; F91-I151 HydrophobicContact CZ-CD1 4.25Å; F91-I151 HydrophobicContact CZ-CG1 4.19Å; F91-I151 HydrophobicContact CZ-CG2 3.76Å; T149-I151 PolarHBondContact O-N 3.1Å
152I94.7Very high77.8Confident79 Ų7978.8 Ų78.841%0.40541%0.41SS..EExtended strand (participates in β ladder)trans-77.4131.1176.4-56.6170.8000108.4R56 A57 S58 H154R56-I152 PolarHBondContact O-N 2.7Å; A57-I152 CarbonylContact C-O 3.58Å; A57-I152 WeakPolarHBondContact CA-O 3.48Å; A57-I152 HydrophobicContact CB-CB 4.09Å; S58-I152 PolarHBondContact N-O 2.76Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.47Å
153L93.6Very high79.4Confident109 Ų10988.4 Ų88.457%0.57144%0.44SS*.EExtended strand (participates in β ladder)trans-109.5124.9178.5-177.265.2000110.8
154H94Very high81Confident39 Ų3988.6 Ų88.618%0.18146%0.461CS..EExtended strand (participates in β ladder)trans-109.6125173.3-72.3-82.3000108.8S58 V59 K60 I152 S159S58-H154 PolarHBondContact O-N 2.94Å; V59-H154 WeakPolarHBondContact CA-O 3.3Å; V59-H154 HydrophobicContact CB-CB 4.29Å; V59-H154 HydrophobicContact CG1-CB 4.12Å; V59-H154 HydrophobicContact CG2-CB 4.1Å; K60-H154 PolarHBondContact N-O 3.19Å; I152-H154 WeakPolarHBondContact CG2-NE2 3.47Å; H154-S159 VanDerWaalsContact CB-OG 3.23Å; H154-S159 WeakPolarHBondContact CB-OG 3.39Å; H154-S159 PolarHBondContact ND1-OG 2.85Å
155N90.7Very high82.9Confident115 Ų11587.6 Ų87.662%0.61544%0.444SS*.SBendtrans-77.6-26-176.1-73-33.6000113.6K60K60-N155 CarbonylContact O-C 3.37Å
156T91.6Very high84.7Confident56 Ų5687.2 Ų87.234%0.34444%0.44SS..SBendtrans-145.9159.9178.676.10000110.4K60 E158 S159K60-T156 WeakPolarHBondContact O-CA 3.3Å; K60-T156 PolarHBondContact O-N 2.89Å; T156-E158 WeakPolarHBondContact CB-OE2 3.49Å; T156-E158 PolarHBondContact O-N 3.33Å; T156-E158 PolarHBondContact OG1-N 3.32Å; T156-E158 PolarHBondContact OG1-OE2 2.98Å; T156-S159 WeakPolarHBondContact O-CB 3.31Å; T156-S159 PolarHBondContact O-N 3.48Å; T156-S159 VanDerWaalsContact O-N 3.16Å; T156-S159 PolarHBondContact O-OG 3.02Å
157M90.1Very high86.3Confident6 Ų687.4 Ų87.43%0.0344%0.441CS..G310 helixtrans-57.6-34.6172.9-173.757.857.100112.6T43 L46 I47 V59 E61 S159 L160 L167T43-M157 HydrophobicContact CG2-CE 3.67Å; L46-M157 HydrophobicContact CD2-CG 4.18Å; L46-M157 HydrophobicContact CD2-SD 3.7Å; L46-M157 HydrophobicContact CG-SD 4.26Å; I47-M157 HydrophobicContact CD1-CE 3.87Å; I47-M157 HydrophobicContact CG1-CE 3.79Å; I47-M157 HydrophobicContact CG1-SD 4.22Å; V59-M157 HydrophobicContact CG1-CE 3.99Å; E61-M157 VanDerWaalsContact OE2-CB 3.3Å; E61-M157 WeakPolarHBondContact OE2-CB 3.49Å; E61-M157 PolarHBondContact OE2-N 3.31Å; M157-S159 PolarHBondContact O-N 3.06Å; M157-L160 WeakPolarHBondContact O-CB 3.16Å; M157-L160 PolarHBondContact O-N 2.79Å; M157-L160 HydrophobicContact SD-CD1 3.88Å; M157-L167 HydrophobicContact CB-CD2 4.4Å; M157-L167 HydrophobicContact CG-CD1 3.94Å; M157-L167 HydrophobicContact CG-CD2 4.16Å
158E90.1Very high87.9Confident79 Ų7985.2 Ų85.237%0.36943%0.43SS..G310 helixtrans-61.5-26.4179.4-63.582-177.700112.9T156 L160 L161T156-E158 WeakPolarHBondContact CB-OE2 3.49Å; T156-E158 PolarHBondContact O-N 3.33Å; T156-E158 PolarHBondContact OG1-N 3.32Å; T156-E158 PolarHBondContact OG1-OE2 2.98Å; E158-L160 PolarHBondContact O-N 2.82Å; E158-L161 WeakPolarHBondContact O-CB 3.42Å; E158-L161 PolarHBondContact O-N 3.5Å
159S91.4Very high89.5Confident59 Ų5980.6 Ų80.641%0.41341%0.41SS..G310 helixtrans-69.5-11.8177.873.10000114H154 T156 M157H154-S159 VanDerWaalsContact CB-OG 3.23Å; H154-S159 WeakPolarHBondContact CB-OG 3.39Å; H154-S159 PolarHBondContact ND1-OG 2.85Å; T156-S159 WeakPolarHBondContact O-CB 3.31Å; T156-S159 PolarHBondContact O-N 3.48Å; T156-S159 VanDerWaalsContact O-N 3.16Å; T156-S159 PolarHBondContact O-OG 3.02Å; M157-S159 PolarHBondContact O-N 3.06Å
160L90.4Very high90.5Very high16 Ų1680.1 Ų80.18%0.08441%0.406CS..G310 helixtrans-89.9-12.5171.4-68.3178000113.3I47 R50 V59 M157 E158I47-L160 HydrophobicContact CB-CD1 4.4Å; I47-L160 HydrophobicContact CG1-CD1 3.86Å; R50-L160 HydrophobicContact CB-CB 3.94Å; R50-L160 HydrophobicContact CB-CD1 4.44Å; R50-L160 HydrophobicContact CB-CD2 4.14Å; R50-L160 HydrophobicContact CB-CG 4.43Å; R50-L160 HydrophobicContact CG-CB 4.16Å; R50-L160 WeakPolarHBondContact CG-O 3.5Å; V59-L160 HydrophobicContact CG1-CD1 4.07Å; V59-L160 HydrophobicContact CG2-CD1 3.65Å; V59-L160 HydrophobicContact CG2-CG 4.34Å; M157-L160 WeakPolarHBondContact O-CB 3.16Å; M157-L160 PolarHBondContact O-N 2.79Å; M157-L160 HydrophobicContact SD-CD1 3.88Å; E158-L160 PolarHBondContact O-N 2.82Å
161L90.8Very high90.8Very high24 Ų2471 Ų7113%0.12637%0.366CS..SBendtrans-85153.5-173.8-57-175.1000111.8L46 E158 E165 L167 L170L46-L161 HydrophobicContact CD1-CD2 4.47Å; L46-L161 HydrophobicContact CD2-CD2 4.38Å; E158-L161 WeakPolarHBondContact O-CB 3.42Å; E158-L161 PolarHBondContact O-N 3.5Å; L161-E165 HydrophobicContact CB-CB 4.27Å; L161-E165 HydrophobicContact CB-CG 4.44Å; L161-L167 HydrophobicContact CD1-CB 4.07Å; L161-L170 HydrophobicContact CD2-CD1 3.53Å
162E88.1Confident90.8Very high125 Ų12570.7 Ų70.758%0.58437%0.369SS*.PPolyproline II helixtrans-72.9158174.2-72.2173.8-148.800111.8R50 G164 E165R50-E162 IonicContact CZ-OE1 2.72Å; R50-E162 IonicContact NH1-OE1 2.68Å; R50-E162 PolarHBondContact NH1-OE1 3.39Å; E162-G164 PolarHBondContact O-N 2.8Å; E162-E165 HydrophobicContact CB-CB 4.3Å; E162-E165 PolarHBondContact N-OE2 2.89Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.45Å; E162-E165 PolarHBondContact O-N 3.44Å
163R87.5Confident90.6Very high260 Ų26074.9 Ų74.998%0.98139%0.385SS*.THydrogen-bonded Turntrans-60117.8178-174.9-177.7178.8-158.7-0.3110.3
164G86.8Confident90.4Very high77 Ų7770.3 Ų70.379%0.79436%0.361SS*.THydrogen-bonded Turntrans92.6-4.6179.700000114.3E162E162-G164 PolarHBondContact O-N 2.8Å
165E91.8Very high90.1Very high55 Ų5576.7 Ų76.726%0.25739%0.391SS..  trans-80.4141.4170.7-173.1175.4-143.300110.5R50 L161 E162 L170R50-E165 IonicContact CZ-OE2 3.98Å; R50-E165 VanDerWaalsContact NH2-CD 3.31Å; R50-E165 IonicContact NH2-OE1 3.98Å; R50-E165 PolarHBondContact NH2-OE1 2.78Å; R50-E165 IonicContact NH2-OE2 2.76Å; R50-E165 PolarHBondContact NH2-OE2 2.89Å; L161-E165 HydrophobicContact CB-CB 4.27Å; L161-E165 HydrophobicContact CB-CG 4.44Å; E162-E165 HydrophobicContact CB-CB 4.3Å; E162-E165 PolarHBondContact N-OE2 2.89Å; E162-E165 VanDerWaalsContact O-CB 3.31Å; E162-E165 WeakPolarHBondContact O-CB 3.45Å; E162-E165 PolarHBondContact O-N 3.44Å; E165-L170 HydrophobicContact CG-CD1 4.2Å; E165-L170 HydrophobicContact CG-CG 4.31Å; E165-L170 WeakPolarHBondContact OE1-CD2 3.39Å
166K90.8Very high89.7Confident135 Ų13575.2 Ų75.259%0.58738%0.381SS*.  trans-119.9135.5178.2-63.7-178.6-179.9-179.80110.4D168 D169 L170K166-D168 PolarHBondContact O-N 3.3Å; K166-D169 HydrophobicContact CB-CB 4.44Å; K166-D169 WeakPolarHBondContact O-CB 3.3Å; K166-D169 PolarHBondContact O-N 3.27Å; K166-L170 PolarHBondContact O-N 2.79Å
167L89.8Confident89.6Confident20 Ų2072.9 Ų72.911%0.10537%0.366CS..Hα-helixtrans-55.8-38.1175.6-172.660.4000112F42 L46 M157 L161 D169 L170 V171F42-L167 HydrophobicContact CE1-CD1 4.26Å; F42-L167 HydrophobicContact CZ-CD1 4.49Å; L46-L167 HydrophobicContact CD2-CD1 3.98Å; M157-L167 HydrophobicContact CB-CD2 4.4Å; M157-L167 HydrophobicContact CG-CD1 3.94Å; M157-L167 HydrophobicContact CG-CD2 4.16Å; L161-L167 HydrophobicContact CD1-CB 4.07Å; L167-D169 VanDerWaalsContact C-N 3.26Å; L167-D169 PolarHBondContact O-N 3.23Å; L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 3.06Å; L167-V171 HydrophobicContact CG-CG2 4.42Å; L167-V171 WeakPolarHBondContact O-CG2 3.3Å; L167-V171 PolarHBondContact O-N 3.48Å
168D90.4Very high89.6Confident64 Ų6474 Ų7434%0.34238%0.379SS..Hα-helixtrans-61.8-33.3178.9-64.6-8000113.1K166 S172 Y185 R189K166-D168 PolarHBondContact O-N 3.3Å; D168-S172 WeakPolarHBondContact O-CB 3.38Å; D168-S172 PolarHBondContact O-N 3.06Å; D168-S172 PolarHBondContact O-OG 3.01Å; D168-Y185 VanDerWaalsContact OD1-CE1 3.26Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.44Å; D168-Y185 PolarHBondContact OD1-OH 3.11Å; D168-R189 IonicContact OD1-NH1 3.53Å; D168-R189 PolarHBondContact OD1-NH1 2.82Å; D168-R189 VanDerWaalsContact OD1-NH1 3.15Å; D168-R189 IonicContact OD2-NH1 3.61Å
169D92.3Very high89.7Confident79 Ų7976.9 Ų76.942%0.42240%0.397SS..Hα-helixtrans-73.4-39.8177.3-67.6-28.5000110.5K166 L167 S172 K173K166-D169 HydrophobicContact CB-CB 4.44Å; K166-D169 WeakPolarHBondContact O-CB 3.3Å; K166-D169 PolarHBondContact O-N 3.27Å; L167-D169 VanDerWaalsContact C-N 3.26Å; L167-D169 PolarHBondContact O-N 3.23Å; D169-S172 PolarHBondContact O-N 2.9Å; D169-K173 WeakPolarHBondContact O-CB 3.44Å; D169-K173 VanDerWaalsContact O-CG 3.31Å; D169-K173 WeakPolarHBondContact O-CG 3.32Å; D169-K173 PolarHBondContact O-N 2.83Å
170L90.8Very high89.6Confident37 Ų3780.4 Ų80.419%0.19441%0.407CS..Hα-helixtrans-63.5-46.5174.1-68.9176.8000111.7F42 L46 L161 E165 K166 L167 S172 K173 S174F42-L170 HydrophobicContact CE2-CB 4.48Å; F42-L170 HydrophobicContact CZ-CB 3.97Å; L46-L170 HydrophobicContact CD1-CD1 3.98Å; L46-L170 HydrophobicContact CD2-CD1 4.22Å; L161-L170 HydrophobicContact CD2-CD1 3.53Å; E165-L170 HydrophobicContact CG-CD1 4.2Å; E165-L170 HydrophobicContact CG-CG 4.31Å; E165-L170 WeakPolarHBondContact OE1-CD2 3.39Å; K166-L170 PolarHBondContact O-N 2.79Å; L167-L170 WeakPolarHBondContact O-CB 3.35Å; L167-L170 PolarHBondContact O-N 3.06Å; L170-S172 VanDerWaalsContact C-N 3.29Å; L170-S172 PolarHBondContact O-N 3.02Å; L170-K173 PolarHBondContact O-N 2.78Å; L170-S174 WeakPolarHBondContact O-CB 3.46Å; L170-S174 PolarHBondContact O-N 3.02Å
171V92.3Very high89.6Confident2 Ų279.7 Ų79.71%0.01240%0.403CS..Hα-helixtrans-58.7-43.5175.2166.80000110.8F39 F42 L167 K173 L177 K182 Y185F39-V171 HydrophobicContact CE1-CG1 4.28Å; F39-V171 HydrophobicContact CE1-CG2 4.13Å; F39-V171 HydrophobicContact CZ-CG1 4.26Å; F42-V171 HydrophobicContact CE1-CG2 3.87Å; F42-V171 HydrophobicContact CZ-CG2 4.17Å; L167-V171 HydrophobicContact CG-CG2 4.42Å; L167-V171 WeakPolarHBondContact O-CG2 3.3Å; L167-V171 PolarHBondContact O-N 3.48Å; V171-K173 PolarHBondContact O-N 2.97Å; V171-L177 HydrophobicContact CB-CD1 4.22Å; V171-L177 HydrophobicContact CG1-CD1 3.76Å; V171-L177 HydrophobicContact CG2-CD1 4.27Å; V171-K182 HydrophobicContact CG1-CG 4.4Å; V171-K182 WeakPolarHBondContact O-CE 3.39Å; V171-Y185 HydrophobicContact CB-CD1 4.4Å; V171-Y185 HydrophobicContact CB-CE1 4.3Å; V171-Y185 HydrophobicContact CG1-CD1 3.76Å; V171-Y185 HydrophobicContact CG1-CE1 4.16Å; V171-Y185 HydrophobicContact CG1-CG 4.14Å; V171-Y185 HydrophobicContact CG2-CD1 4.4Å; V171-Y185 HydrophobicContact CG2-CE1 4.14Å; V171-Y185 HydrophobicContact CG2-CE2 4.3Å
172S90.1Very high89.7Confident48 Ų4880.3 Ų80.334%0.33641%0.405SS..Hα-helixtrans-66.3-37.9-179.3-62.80000112.4D168 D169 L170 K182D168-S172 WeakPolarHBondContact O-CB 3.38Å; D168-S172 PolarHBondContact O-N 3.06Å; D168-S172 PolarHBondContact O-OG 3.01Å; D169-S172 PolarHBondContact O-N 2.9Å; L170-S172 VanDerWaalsContact C-N 3.29Å; L170-S172 PolarHBondContact O-N 3.02Å; S172-K182 WeakPolarHBondContact O-CE 3.27Å; S172-K182 PolarHBondContact O-NZ 3.37Å
173K90.4Very high89.7Confident168 Ų16876.9 Ų76.973%0.7340%0.397SS*.Hα-helixtrans-84.2-17.6-179.3-68.9173-176.8173.80114.4D169 L170 V171 E175D169-K173 WeakPolarHBondContact O-CB 3.44Å; D169-K173 VanDerWaalsContact O-CG 3.31Å; D169-K173 WeakPolarHBondContact O-CG 3.32Å; D169-K173 PolarHBondContact O-N 2.83Å; L170-K173 PolarHBondContact O-N 2.78Å; V171-K173 PolarHBondContact O-N 2.97Å; K173-E175 PolarHBondContact O-N 2.84Å
174S88.7Confident89.8Confident12 Ų1268.2 Ų68.28%0.08437%0.367CS..  trans-59132.7-176.3179.80000112.6F42 L170 H176 K182F42-S174 VanDerWaalsContact CD2-OG 3.28Å; F42-S174 WeakPolarHBondContact CD2-OG 3.2Å; L170-S174 WeakPolarHBondContact O-CB 3.46Å; L170-S174 PolarHBondContact O-N 3.02Å; S174-H176 PolarHBondContact OG-N 3Å; S174-K182 WeakPolarHBondContact O-CE 3.34Å; S174-K182 PolarHBondContact O-NZ 3.08Å
175E86.8Confident89.8Confident173 Ų17366.3 Ų66.381%0.80834%0.336SS*.SBendtrans-84.8-17.2171.4-64.7177.715700111.8K173 L177K173-E175 PolarHBondContact O-N 2.84Å; E175-L177 VanDerWaalsContact C-N 3.27Å; E175-L177 PolarHBondContact O-N 3.25Å
176H82.5Confident89.6Confident85 Ų8568.9 Ų68.939%0.39435%0.346SS..SBendtrans-76-14.7176.2-64.4-61.5000113.4F42 S174F42-H176 HydrophobicContact CB-CB 4.37Å; S174-H176 PolarHBondContact OG-N 3Å
177L89.6Confident89.4Confident7 Ų765.9 Ų65.94%0.03734%0.34CS..SBendtrans-107.6121.9-177.4-60.6179.4000110.4E38 F39 F42 V171 E175 K182E38-L177 VanDerWaalsContact C-CD2 3.5Å; E38-L177 HydrophobicContact CB-CD2 3.83Å; E38-L177 WeakPolarHBondContact O-CD2 3.41Å; F39-L177 HydrophobicContact CD1-CD1 4.28Å; F39-L177 HydrophobicContact CD1-CD2 4.11Å; F39-L177 HydrophobicContact CD2-CD2 4.36Å; F39-L177 HydrophobicContact CE1-CD1 3.62Å; F39-L177 HydrophobicContact CE1-CD2 4.13Å; F39-L177 HydrophobicContact CE2-CD2 4.37Å; F39-L177 HydrophobicContact CG-CD2 4.18Å; F39-L177 HydrophobicContact CZ-CD1 3.81Å; F39-L177 HydrophobicContact CZ-CD2 4.2Å; F42-L177 HydrophobicContact CB-CD1 4.44Å; F42-L177 HydrophobicContact CB-CD2 3.85Å; F42-L177 HydrophobicContact CB-CG 4.12Å; F42-L177 HydrophobicContact CD1-CD1 4.26Å; F42-L177 HydrophobicContact CD2-CD1 4.47Å; F42-L177 HydrophobicContact CG-CD1 4.12Å; F42-L177 HydrophobicContact CG-CD2 4.4Å; F42-L177 HydrophobicContact CG-CG 4.26Å; V171-L177 HydrophobicContact CB-CD1 4.22Å; V171-L177 HydrophobicContact CG1-CD1 3.76Å; V171-L177 HydrophobicContact CG2-CD1 4.27Å; E175-L177 VanDerWaalsContact C-N 3.27Å; E175-L177 PolarHBondContact O-N 3.25Å; L177-K182 HydrophobicContact CB-CD 4.5Å; L177-K182 HydrophobicContact CB-CG 3.85Å; L177-K182 WeakPolarHBondContact O-CE 3.18Å
178G91.4Very high89.1Confident29 Ų2966.4 Ų66.430%0.29935%0.347SS..  trans-67.6161.2169.300000112E38 Q180 S181 K182E38-G178 PolarHBondContact OE2-N 3.31Å; G178-Q180 PolarHBondContact O-N 2.9Å; G178-S181 PolarHBondContact O-N 3.21Å; G178-S181 VanDerWaalsContact O-N 3.08Å; G178-K182 PolarHBondContact O-N 3.27Å
179N90.6Very high88.8Confident140 Ų14068.9 Ų68.975%0.74935%0.352SS*.Hα-helixtrans-57.1-36.7-179.8-71.1-24.9000112.7A183N179-A183 WeakPolarHBondContact O-CB 3.36Å; N179-A183 PolarHBondContact O-N 2.95Å
180Q89.4Confident88.2Confident133 Ų13372.3 Ų72.362%0.62136%0.362SS*.Hα-helixtrans-64.3-44.1176.8-176.1176.13.300111.7G178 A183 F184G178-Q180 PolarHBondContact O-N 2.9Å; Q180-A183 PolarHBondContact O-N 3.24Å; Q180-F184 WeakPolarHBondContact O-CB 3.19Å; Q180-F184 PolarHBondContact O-N 2.97Å
181S92Very high87.5Confident0 Ų076.7 Ų76.70%038%0.382CS..Hα-helixtrans-67.2-42.9178.9-530000111.4S35 E38 F39 G178 A183 F184 Y185S35-S181 VanDerWaalsContact CA-OG 3.24Å; S35-S181 WeakPolarHBondContact CA-OG 3.4Å; S35-S181 WeakPolarHBondContact CB-OG 3.44Å; S35-S181 PolarHBondContact OG-OG 3.02Å; E38-S181 VanDerWaalsContact CD-OG 3.29Å; E38-S181 WeakPolarHBondContact OE2-CB 3Å; E38-S181 PolarHBondContact OE2-OG 2.88Å; F39-S181 WeakPolarHBondContact CE2-O 3.33Å; G178-S181 PolarHBondContact O-N 3.21Å; G178-S181 VanDerWaalsContact O-N 3.08Å; S181-A183 VanDerWaalsContact C-N 3.29Å; S181-A183 PolarHBondContact O-N 3.15Å; S181-F184 WeakPolarHBondContact O-CB 3.31Å; S181-F184 PolarHBondContact O-N 3.45Å; S181-F184 VanDerWaalsContact O-N 3.16Å; S181-Y185 PolarHBondContact O-N 3.43Å
182K91.6Very high86.2Confident38 Ų3881.3 Ų81.317%0.16541%0.407CS..Hα-helixtrans-57.7-42.3172.4-67.6179.6-177.4178.30111.9V171 S172 S174 L177 G178 K186V171-K182 HydrophobicContact CG1-CG 4.4Å; V171-K182 WeakPolarHBondContact O-CE 3.39Å; S172-K182 WeakPolarHBondContact O-CE 3.27Å; S172-K182 PolarHBondContact O-NZ 3.37Å; S174-K182 WeakPolarHBondContact O-CE 3.34Å; S174-K182 PolarHBondContact O-NZ 3.08Å; L177-K182 HydrophobicContact CB-CD 4.5Å; L177-K182 HydrophobicContact CB-CG 3.85Å; L177-K182 WeakPolarHBondContact O-CE 3.18Å; G178-K182 PolarHBondContact O-N 3.27Å; K182-K186 WeakPolarHBondContact O-CG 3.31Å; K182-K186 PolarHBondContact O-N 3.4Å
183A89.2Confident84.7Confident52 Ų5282.1 Ų82.143%0.4341%0.413SS..Hα-helixtrans-67.4-41175.900000112.3N179 Q180 S181 Y185 K186 T187N179-A183 WeakPolarHBondContact O-CB 3.36Å; N179-A183 PolarHBondContact O-N 2.95Å; Q180-A183 PolarHBondContact O-N 3.24Å; S181-A183 VanDerWaalsContact C-N 3.29Å; S181-A183 PolarHBondContact O-N 3.15Å; A183-Y185 PolarHBondContact O-N 3.38Å; A183-K186 PolarHBondContact O-N 3.27Å; A183-T187 PolarHBondContact O-N 3.11Å; A183-T187 PolarHBondContact O-OG1 3.18Å; A183-T187 VanDerWaalsContact O-OG1 3.04Å
184F87.8Confident83Confident79 Ų7979 Ų7935%0.34641%0.411SS..Hα-helixtrans-56.9-48.9176.1177-101.4000111.4Q32 Q180 S181 K186 T187 A188Q32-F184 HydrophobicContact CG-CE2 4.13Å; Q32-F184 HydrophobicContact CG-CZ 4.44Å; Q180-F184 WeakPolarHBondContact O-CB 3.19Å; Q180-F184 PolarHBondContact O-N 2.97Å; S181-F184 WeakPolarHBondContact O-CB 3.31Å; S181-F184 PolarHBondContact O-N 3.45Å; S181-F184 VanDerWaalsContact O-N 3.16Å; F184-K186 PolarHBondContact O-N 2.84Å; F184-T187 PolarHBondContact O-N 2.69Å; F184-A188 WeakPolarHBondContact O-CB 3.3Å; F184-A188 PolarHBondContact O-N 2.84Å
185Y87.6Confident80.9Confident36 Ų3683.5 Ų83.514%0.14144%0.441CS..Hα-helixtrans-61-45.9176.9170.8-89.6000113.2F39 D168 V171 S181 A183 T187 A188 R189F39-Y185 AromaticContact CE1-CD2 3.82Å; F39-Y185 HydrophobicContact CE1-CD2 3.82Å; F39-Y185 HydrophobicContact CE1-CG 4.08Å; F39-Y185 AromaticContact CZ-CD2 3.99Å; F39-Y185 HydrophobicContact CZ-CD2 3.99Å; F39-Y185 AromaticContact CZ-CG 3.83Å; F39-Y185 HydrophobicContact CZ-CG 3.83Å; D168-Y185 VanDerWaalsContact OD1-CE1 3.26Å; D168-Y185 WeakPolarHBondContact OD1-CE1 3.44Å; D168-Y185 PolarHBondContact OD1-OH 3.11Å; V171-Y185 HydrophobicContact CB-CD1 4.4Å; V171-Y185 HydrophobicContact CB-CE1 4.3Å; V171-Y185 HydrophobicContact CG1-CD1 3.76Å; V171-Y185 HydrophobicContact CG1-CE1 4.16Å; V171-Y185 HydrophobicContact CG1-CG 4.14Å; V171-Y185 HydrophobicContact CG2-CD1 4.4Å; V171-Y185 HydrophobicContact CG2-CE1 4.14Å; V171-Y185 HydrophobicContact CG2-CE2 4.3Å; S181-Y185 PolarHBondContact O-N 3.43Å; A183-Y185 PolarHBondContact O-N 3.38Å; Y185-T187 VanDerWaalsContact C-N 3.28Å; Y185-T187 PolarHBondContact O-N 3.33Å; Y185-A188 PolarHBondContact O-N 2.68Å; Y185-R189 HydrophobicContact CE1-CG 4.14Å; Y185-R189 HydrophobicContact CE2-CG 4.23Å; Y185-R189 PolarHBondContact O-N 3.03Å; Y185-R189 WeakPolarHBondContact OH-CD 3.46Å
186K87.8Confident78.8Confident109 Ų10983.7 Ų83.747%0.47444%0.442SS..Hα-helixtrans-60.2-40.4177.5-73.8179.6-179.5-177.50111.8K182 A183 F184 K190K182-K186 WeakPolarHBondContact O-CG 3.31Å; K182-K186 PolarHBondContact O-N 3.4Å; A183-K186 PolarHBondContact O-N 3.27Å; F184-K186 PolarHBondContact O-N 2.84Å; K186-K190 WeakPolarHBondContact O-CG 3.26Å; K186-K190 PolarHBondContact O-N 3.2Å; K186-K190 VanDerWaalsContact O-N 3.17Å
187T86.6Confident76.5Confident72 Ų7287 Ų8744%0.44246%0.461SS..Hα-helixtrans-68.8-45.5177.8-59.60000111.6A183 F184 Y185 R189 K190 Q191A183-T187 PolarHBondContact O-N 3.11Å; A183-T187 PolarHBondContact O-OG1 3.18Å; A183-T187 VanDerWaalsContact O-OG1 3.04Å; F184-T187 PolarHBondContact O-N 2.69Å; Y185-T187 VanDerWaalsContact C-N 3.28Å; Y185-T187 PolarHBondContact O-N 3.33Å; T187-R189 PolarHBondContact O-N 3.15Å; T187-K190 PolarHBondContact O-N 2.85Å; T187-Q191 WeakPolarHBondContact O-CG 3.38Å; T187-Q191 PolarHBondContact O-N 3.36Å
188A83.8Confident73.8Confident31 Ų3198.6 Ų98.626%0.25652%0.518SS..Hα-helixtrans-60.3-44.7177.900000111.8F184 Y185 K190 Q191 N192F184-A188 WeakPolarHBondContact O-CB 3.3Å; F184-A188 PolarHBondContact O-N 2.84Å; Y185-A188 PolarHBondContact O-N 2.68Å; A188-K190 PolarHBondContact O-N 2.84Å; A188-Q191 PolarHBondContact O-N 3.27Å; A188-N192 PolarHBondContact O-N 2.77Å; A188-N192 PolarHBondContact O-ND2 3.08Å
189R82.9Confident72.9Confident117 Ų117102.1 Ų102.144%0.44253%0.529SS..Hα-helixtrans-60-43.8174.7-77.7-145.671.3162.113.1112.6D168 Y185 T187 N192 S193D168-R189 IonicContact OD1-NH1 3.53Å; D168-R189 PolarHBondContact OD1-NH1 2.82Å; D168-R189 VanDerWaalsContact OD1-NH1 3.15Å; D168-R189 IonicContact OD2-NH1 3.61Å; Y185-R189 HydrophobicContact CE1-CG 4.14Å; Y185-R189 HydrophobicContact CE2-CG 4.23Å; Y185-R189 PolarHBondContact O-N 3.03Å; Y185-R189 WeakPolarHBondContact OH-CD 3.46Å; T187-R189 PolarHBondContact O-N 3.15Å; R189-N192 PolarHBondContact O-N 3.04Å; R189-S193 WeakPolarHBondContact O-CB 3.37Å; R189-S193 PolarHBondContact O-N 3.37Å; R189-S193 PolarHBondContact O-OG 3.09Å
190K81.2Confident72Confident150 Ų150100.1 Ų100.165%0.65252%0.517SS*.Hα-helixtrans-61.6-45177.7-77179.1179.1-173.20111.9K186 T187 A188 N192 S193 C194K186-K190 WeakPolarHBondContact O-CG 3.26Å; K186-K190 PolarHBondContact O-N 3.2Å; K186-K190 VanDerWaalsContact O-N 3.17Å; T187-K190 PolarHBondContact O-N 2.85Å; A188-K190 PolarHBondContact O-N 2.84Å; K190-N192 VanDerWaalsContact C-N 3.33Å; K190-N192 PolarHBondContact O-N 3.5Å; K190-S193 WeakPolarHBondContact CA-OG 3.46Å; K190-S193 PolarHBondContact O-N 2.9Å; K190-S193 PolarHBondContact O-OG 3.15Å; K190-C194 PolarHBondContact O-N 3.03Å
191Q74.9Confident71Confident130 Ų13098.2 Ų98.261%0.60751%0.511SS*.Hα-helixtrans-62.9-39.9179.2-72.5177.4-6.200112.2T187 A188T187-Q191 WeakPolarHBondContact O-CG 3.38Å; T187-Q191 PolarHBondContact O-N 3.36Å; A188-Q191 PolarHBondContact O-N 3.27Å
192N65.8Low69.7Low98 Ų98104 Ų10452%0.52454%0.541SS..Hα-helixtrans-74.8-30.3177.7-67.4-19.5000113A188 R189 K190 C194 C195A188-N192 PolarHBondContact O-N 2.77Å; A188-N192 PolarHBondContact O-ND2 3.08Å; R189-N192 PolarHBondContact O-N 3.04Å; K190-N192 VanDerWaalsContact C-N 3.33Å; K190-N192 PolarHBondContact O-N 3.5Å; N192-C194 PolarHBondContact O-N 3.43Å; N192-C195 PolarHBondContact O-N 3.37Å
193S59Low68.4Low66 Ų66108.1 Ų108.146%0.46257%0.565SS.*Hα-helixtrans-68.8-20.2176.766.50000114.2R189 K190 C195R189-S193 WeakPolarHBondContact O-CB 3.37Å; R189-S193 PolarHBondContact O-N 3.37Å; R189-S193 PolarHBondContact O-OG 3.09Å; K190-S193 WeakPolarHBondContact CA-OG 3.46Å; K190-S193 PolarHBondContact O-N 2.9Å; K190-S193 PolarHBondContact O-OG 3.15Å; S193-C195 PolarHBondContact O-N 3.45Å
194C53.4Low67Low102 Ų102111.9 Ų111.969%0.68957%0.574SS**THydrogen-bonded Turntrans-79-1.2177.3-74.50000114.1K190 N192K190-C194 PolarHBondContact O-N 3.03Å; N192-C194 PolarHBondContact O-N 3.43Å
195C46.2Very low65.5Low107 Ų107114.2 Ų114.272%0.72359%0.59SS**THydrogen-bonded Turntrans-111.92.6-180-620000114N192 S193N192-C195 PolarHBondContact O-N 3.37Å; S193-C195 PolarHBondContact O-N 3.45Å
196E41.8Very low63.8Low177 Ų177120.2 Ų120.283%0.82763%0.625SS**SBendtrans-90.20.8172.8-72.1-168.8158.200113.4
197I33.5Very low61.8Low154 Ų154121.2 Ų121.279%0.7964%0.637SS**  trans-11374.5173.7-50.2176.9000108.7
198M32.7Very low59.6Low250 Ų250125.6 Ų125.6100%1.23266%0.655SS**  trans-153.70151.9-151.1179.8-60.500110.6

Retrieved 198 of 198 residues in 109 ms (Link to these results)

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