A0A077ZLB2_TRITR Loading...

Ribonuclease

Catalytic subunit of RNase HII, an endonuclease that specifically degrades the RNA of RNA:DNA hybrids. Participates in DNA replication, possibly by mediating the removal of lagging-strand Okazaki fragment RNA primers during DNA replication. Mediates the excision of single ribonucleotides from DNA:RNA duplexes. Endonuclease that specifically degrades the RNA of RNA-DNA hybrids.

AlphaFold DB , UniProt , Accession A0A077ZLB2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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
1M32Very low73.1Confident236 Ų23696.7 Ų96.7100%1.16347%0.474SS*.  0124.10-76.8170105.100105.6D3M1-D3 PolarHBondContact O-N 3.05Å
2S42.4Very low73.4Confident88 Ų8890 Ų9062%0.61544%0.444SS*.  trans-52.4121.4-168.4-158.20000111D4S2-D4 WeakPolarHBondContact CB-OD2 3.25Å; S2-D4 PolarHBondContact O-N 3.46Å; S2-D4 PolarHBondContact OG-OD1 3.33Å; S2-D4 PolarHBondContact OG-OD2 2.68Å
3D58Low73.6Confident117 Ų11783.3 Ų83.363%0.62641%0.412SS*.THydrogen-bonded Turntrans-67.921.9176.7-108.3-18.6000112.4M1 H5 K6M1-D3 PolarHBondContact O-N 3.05Å; D3-H5 VanDerWaalsContact C-N 3.33Å; D3-H5 PolarHBondContact O-N 3.12Å; D3-K6 WeakPolarHBondContact OD1-CE 3.46Å; D3-K6 IonicContact OD1-NZ 3.82Å; D3-K6 PolarHBondContact OD1-NZ 3.38Å; D3-K6 VanDerWaalsContact OD1-NZ 3.15Å; D3-K6 IonicContact OD2-NZ 2.84Å
4D72.3Confident74.1Confident30 Ų3083 Ų8316%0.1641%0.413CS..THydrogen-bonded Turntrans-66.5-33.5-170.4-81.5-19.6000112.5S2 S91 F94 K97S2-D4 WeakPolarHBondContact CB-OD2 3.25Å; S2-D4 PolarHBondContact O-N 3.46Å; S2-D4 PolarHBondContact OG-OD1 3.33Å; S2-D4 PolarHBondContact OG-OD2 2.68Å; D4-S91 WeakPolarHBondContact O-CB 3.09Å; D4-S91 PolarHBondContact O-N 2.84Å; D4-S91 PolarHBondContact O-OG 3.25Å; D4-F94 HydrophobicContact CB-CB 3.93Å; D4-F94 HydrophobicContact CB-CD2 4.03Å; D4-F94 HydrophobicContact CB-CG 4.35Å; D4-F94 WeakPolarHBondContact O-CB 3.25Å; D4-K97 IonicContact OD2-NZ 3.08Å
5H78.6Confident74.6Confident86 Ų8687.3 Ų87.340%0.39843%0.428SS..EExtended strand (participates in β ladder)trans-154.4144.3170.954.7-101.3000112D3 K88 I89 L90 F94D3-H5 VanDerWaalsContact C-N 3.33Å; D3-H5 PolarHBondContact O-N 3.12Å; H5-K88 PolarHBondContact CD2-NZ 2.77Å; H5-I89 CarbonylContact C-O 3.48Å; H5-I89 WeakPolarHBondContact CA-O 3.36Å; H5-I89 WeakPolarHBondContact CB-O 3.41Å; H5-L90 HydrophobicContact CB-CD2 3.95Å; H5-F94 AromaticContact ND1-CE2 3.9Å
6K85.9Confident75.3Confident81 Ų8181.9 Ų81.935%0.35240%0.402SS..EExtended strand (participates in β ladder)trans-118.5134179.3-64.3176.3-178.4174.50109.3D3 K88 I89D3-K6 WeakPolarHBondContact OD1-CE 3.46Å; D3-K6 IonicContact OD1-NZ 3.82Å; D3-K6 PolarHBondContact OD1-NZ 3.38Å; D3-K6 VanDerWaalsContact OD1-NZ 3.15Å; D3-K6 IonicContact OD2-NZ 2.84Å; K6-K88 CarbonylContact O-C 3.45Å; K6-K88 WeakPolarHBondContact O-CA 3.32Å; K6-I89 HydrophobicContact CB-CB 4.33Å; K6-I89 PolarHBondContact N-O 2.87Å; K6-I89 PolarHBondContact O-N 3.03Å
7L88.7Confident76Confident74 Ų7483.1 Ų83.139%0.38740%0.401SS..EExtended strand (participates in β ladder)trans-113.6123.1171.2175.574.9000107.7L87 K88 L118 V121L7-L87 CarbonylContact C-O 3.47Å; L7-L87 WeakPolarHBondContact CA-O 3.49Å; L7-K88 HydrophobicContact CB-CD 4.3Å; L7-K88 HydrophobicContact CD1-CB 4.46Å; L7-K88 HydrophobicContact CD1-CD 4.31Å; L7-L118 HydrophobicContact CD1-CD2 3.73Å; L7-V121 HydrophobicContact CD1-CG2 4.18Å; L7-V121 HydrophobicContact CD2-CB 4.28Å; L7-V121 HydrophobicContact CD2-CG1 4.11Å; L7-V121 HydrophobicContact CD2-CG2 3.3Å; L7-V121 HydrophobicContact CG-CG2 4.3Å
8I89.3Confident76.5Confident75 Ų7581.8 Ų81.839%0.38541%0.412SS..EExtended strand (participates in β ladder)trans-130.1130.6-174.8-57.2170.5000107.9G86 L87 I89I8-G86 CarbonylContact O-C 3.6Å; I8-G86 VanDerWaalsContact O-CA 3.25Å; I8-G86 WeakPolarHBondContact O-CA 3.23Å; I8-L87 HydrophobicContact CB-CB 4.37Å; I8-L87 PolarHBondContact N-O 2.84Å; I8-L87 PolarHBondContact O-N 2.79Å; I8-I89 HydrophobicContact CD1-CD1 4.14Å
9M88.1Confident77.1Confident48 Ų4881.4 Ų81.424%0.23641%0.408CS..EExtended strand (participates in β ladder)trans-111.4138.9169.4-68.4-66.7-66.300109A13 I43 G86 V121M9-A13 HydrophobicContact CE-CB 3.85Å; M9-I43 HydrophobicContact CE-CD1 3.51Å; M9-G86 WeakPolarHBondContact SD-CA 3.37Å; M9-V121 HydrophobicContact CE-CG1 4.49Å; M9-V121 HydrophobicContact CG-CG1 3.59Å; M9-V121 HydrophobicContact SD-CG1 3.68Å
10S87.4Confident77.8Confident9 Ų979.7 Ų79.76%0.06340%0.404CS..  trans-69.2146.2174.9810000110S12 A13 Y85S10-S12 PolarHBondContact O-N 3.04Å; S10-A13 VanDerWaalsContact O-CB 3.24Å; S10-A13 WeakPolarHBondContact O-CB 3.47Å; S10-A13 PolarHBondContact O-N 3.2Å; S10-A13 PolarHBondContact OG-N 3.43Å; S10-Y85 VanDerWaalsContact CB-CE1 3.44Å; S10-Y85 WeakPolarHBondContact CB-O 3.43Å; S10-Y85 PolarHBondContact N-O 3.14Å; S10-Y85 PolarHBondContact OG-N 3.47Å; S10-Y85 PolarHBondContact OG-O 3.31Å
11R81.4Confident78.6Confident220 Ų22075.9 Ų75.983%0.8339%0.385SS*.G310 helixtrans-60.2-29.3174.6-66.8-177179.8177.8-0.3112A13 D14R11-A13 PolarHBondContact O-N 3.37Å; R11-D14 WeakPolarHBondContact O-CB 3.41Å; R11-D14 PolarHBondContact O-N 2.79Å
12S76.6Confident81.7Confident16 Ų1664.9 Ų64.911%0.11233%0.331CS..G310 helixtrans-61-26175.7-41.70000112.6S10 D14 F15 S80 F83S10-S12 PolarHBondContact O-N 3.04Å; S12-D14 PolarHBondContact O-N 3.14Å; S12-F15 PolarHBondContact O-N 3.16Å; S12-S80 WeakPolarHBondContact CB-O 3.11Å; S12-F83 WeakPolarHBondContact CB-O 3.47Å
13A75.7Confident84.2Confident3 Ų360.7 Ų60.73%0.02530%0.301CS..G310 helixtrans-64.7-23.4175.200000112.8M9 S10 R11 F15 L16 I43M9-A13 HydrophobicContact CE-CB 3.85Å; S10-A13 VanDerWaalsContact O-CB 3.24Å; S10-A13 WeakPolarHBondContact O-CB 3.47Å; S10-A13 PolarHBondContact O-N 3.2Å; S10-A13 PolarHBondContact OG-N 3.43Å; R11-A13 PolarHBondContact O-N 3.37Å; A13-F15 VanDerWaalsContact C-N 3.25Å; A13-F15 PolarHBondContact O-N 3.19Å; A13-L16 PolarHBondContact O-N 3.15Å; A13-L16 VanDerWaalsContact O-N 3.14Å; A13-I43 HydrophobicContact CB-CD1 4.16Å
14D80.4Confident86.1Confident79 Ų7955.1 Ų55.142%0.42227%0.271SS..G310 helixtrans-67.5-25.8176.8-69.7-40.5000112.7R11 S12 L16 R17R11-D14 WeakPolarHBondContact O-CB 3.41Å; R11-D14 PolarHBondContact O-N 2.79Å; S12-D14 PolarHBondContact O-N 3.14Å; D14-L16 PolarHBondContact O-N 3.25Å; D14-R17 VanDerWaalsContact O-CG 3.25Å; D14-R17 WeakPolarHBondContact O-CG 3.37Å; D14-R17 IonicContact OD1-CZ 3.35Å; D14-R17 IonicContact OD1-NE 3.04Å; D14-R17 PolarHBondContact OD1-NE 3.43Å; D14-R17 IonicContact OD1-NH2 2.77Å; D14-R17 PolarHBondContact OD1-NH2 2.83Å
15F82.6Confident87.2Confident147 Ų14753.7 Ų53.765%0.64526%0.264SS*.G310 helixtrans-73.9-17.1174.8-75.4-84.8000113.3S12 A13S12-F15 PolarHBondContact O-N 3.16Å; A13-F15 VanDerWaalsContact C-N 3.25Å; A13-F15 PolarHBondContact O-N 3.19Å
16L84.7Confident88.1Confident1 Ų149.9 Ų49.91%0.00525%0.246CC..G310 helixtrans-92-0.4-178.4-62.6175000112.7A13 D14 G18 K19 I43 E45A13-L16 PolarHBondContact O-N 3.15Å; A13-L16 VanDerWaalsContact O-N 3.14Å; D14-L16 PolarHBondContact O-N 3.25Å; L16-G18 PolarHBondContact O-N 3.42Å; L16-K19 HydrophobicContact CD2-CD 4.39Å; L16-K19 PolarHBondContact O-N 3.14Å; L16-K19 VanDerWaalsContact O-N 3.15Å; L16-I43 HydrophobicContact CD1-CB 3.89Å; L16-I43 HydrophobicContact CD1-CG2 3.51Å; L16-E45 HydrophobicContact CD2-CB 4.23Å
17R87.4Confident88.5Confident103 Ų10347 Ų4739%0.38923%0.234SC..THydrogen-bonded Turntrans-59.2130.5175.8-64.1-172.9-178-118.9-1.5110.7D14 K19 N125 D126D14-R17 VanDerWaalsContact O-CG 3.25Å; D14-R17 WeakPolarHBondContact O-CG 3.37Å; D14-R17 IonicContact OD1-CZ 3.35Å; D14-R17 IonicContact OD1-NE 3.04Å; D14-R17 PolarHBondContact OD1-NE 3.43Å; D14-R17 IonicContact OD1-NH2 2.77Å; D14-R17 PolarHBondContact OD1-NH2 2.83Å; R17-K19 PolarHBondContact O-N 2.73Å; R17-N125 WeakPolarHBondContact CG-O 3.26Å; R17-N125 PolarHBondContact NH2-OD1 3.45Å; R17-D126 IonicContact NH1-OD2 3.78Å
18G85.9Confident88.7Confident59 Ų5943.9 Ų43.961%0.60822%0.219SC*.THydrogen-bonded Turntrans74.3-3.1-179.400000115.5L16 D126L16-G18 PolarHBondContact O-N 3.42Å; G18-D126 PolarHBondContact N-O 3Å
19K87.2Confident88.9Confident74 Ų7440.6 Ų40.632%0.32220%0.204SC..SBendtrans-93.3145.7176.2-66.9-178.8163.1-1610111.3L16 R17 C21 E45 V128L16-K19 HydrophobicContact CD2-CD 4.39Å; L16-K19 PolarHBondContact O-N 3.14Å; L16-K19 VanDerWaalsContact O-N 3.15Å; R17-K19 PolarHBondContact O-N 2.73Å; K19-C21 PolarHBondContact O-N 3.21Å; K19-C21 PolarHBondContact O-SG 3.44Å; K19-E45 HydrophobicContact CD-CG 4.41Å; K19-E45 WeakPolarHBondContact CD-OE2 3.31Å; K19-E45 IonicContact NZ-OE1 3.67Å; K19-E45 IonicContact NZ-OE2 2.73Å; K19-E45 PolarHBondContact NZ-OE2 3.42Å; K19-V128 WeakPolarHBondContact O-CB 3.14Å; K19-V128 PolarHBondContact O-N 2.99Å
20S92.1Very high89.2Confident48 Ų4840.9 Ų40.934%0.33620%0.203SC..EExtended strand (participates in β ladder)trans-65.4115.6169.3-84.10000110.7E45 T46 V128 E130S20-E45 WeakPolarHBondContact O-CA 3.27Å; S20-T46 PolarHBondContact O-N 3.28Å; S20-T46 PolarHBondContact O-OG1 3.3Å; S20-V128 CarbonylContact C-O 3.46Å; S20-V128 WeakPolarHBondContact CA-O 3.34Å; S20-E130 VanDerWaalsContact CB-CD 3.41Å; S20-E130 WeakPolarHBondContact CB-OE1 3.5Å; S20-E130 PolarHBondContact OG-OE1 3.28Å
21C94.7Very high89.4Confident0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-125149.7-173.7-63.90000112.5K19 I43 C44 I127 V128 E130K19-C21 PolarHBondContact O-N 3.21Å; K19-C21 PolarHBondContact O-SG 3.44Å; C21-I43 HydrophobicContact CB-CG2 4.08Å; C21-C44 CarbonylContact C-O 3.58Å; C21-C44 WeakPolarHBondContact CA-O 3.48Å; C21-C44 WeakPolarHBondContact CB-O 3.44Å; C21-I127 HydrophobicContact CB-CG2 3.72Å; C21-V128 PolarHBondContact N-O 2.94Å; C21-E130 PolarHBondContact O-N 3.32Å
22T95.5Very high90Very high4 Ų431.7 Ų31.73%0.02518%0.178CC..EExtended strand (participates in β ladder)trans-104.6135.5167.7-66.50000109.5C44 T46 L49 K131 Y133 I168T22-C44 PolarHBondContact N-O 3.24Å; T22-C44 PolarHBondContact O-N 3.02Å; T22-C44 VanDerWaalsContact O-N 3.1Å; T22-T46 PolarHBondContact OG1-OG1 3.46Å; T22-L49 HydrophobicContact CG2-CD1 4.09Å; T22-L49 HydrophobicContact CG2-CD2 4.27Å; T22-K131 CarbonylContact C-O 3.37Å; T22-K131 WeakPolarHBondContact CA-O 3.07Å; T22-K131 HydrophobicContact CG2-CB 4.42Å; T22-Y133 HydrophobicContact CG2-CD2 3.68Å; T22-Y133 HydrophobicContact CG2-CE2 3.59Å; T22-I168 HydrophobicContact CG2-CG2 4.21Å
23L96.6Very high91Very high0 Ų030.9 Ų30.90%017%0.172CC..EExtended strand (participates in β ladder)trans-103.4143.5177.3-59-171.2000111.4V41 G42 I43 A122 V129 K131 V132 Y133L23-V41 HydrophobicContact CB-CG2 4.09Å; L23-V41 HydrophobicContact CD1-CG2 4.27Å; L23-V41 HydrophobicContact CD2-CG2 4.07Å; L23-V41 HydrophobicContact CG-CG2 4.39Å; L23-G42 CarbonylContact C-O 3.55Å; L23-G42 WeakPolarHBondContact CA-O 3.36Å; L23-I43 HydrophobicContact CD2-CB 3.94Å; L23-I43 HydrophobicContact CD2-CG1 3.68Å; L23-I43 HydrophobicContact CD2-CG2 3.68Å; L23-A122 HydrophobicContact CD1-CB 4.05Å; L23-V129 HydrophobicContact CD1-CB 4.43Å; L23-V129 HydrophobicContact CD1-CG1 3.79Å; L23-V129 HydrophobicContact CD1-CG2 3.68Å; L23-V129 HydrophobicContact CG-CG1 3.85Å; L23-V129 HydrophobicContact CG-CG2 4.06Å; L23-K131 PolarHBondContact N-O 3Å; L23-V132 HydrophobicContact CB-CB 4.39Å; L23-V132 HydrophobicContact CB-CG1 4.1Å; L23-V132 HydrophobicContact CB-CG2 4.17Å; L23-V132 HydrophobicContact CD1-CG2 4.18Å; L23-V132 HydrophobicContact CG-CG2 4.44Å; L23-Y133 PolarHBondContact O-N 2.92Å
24G96.3Very high91.9Very high0 Ų030.8 Ų30.80%017%0.171CC..EExtended strand (participates in β ladder)trans-126129.7168.100000110V41 G42 Y133 A172G24-V41 CarbonylContact O-C 3.54Å; G24-V41 VanDerWaalsContact O-CA 3.25Å; G24-V41 WeakPolarHBondContact O-CA 3.05Å; G24-G42 PolarHBondContact N-O 2.71Å; G24-G42 PolarHBondContact O-N 3.27Å; G24-Y133 CarbonylContact C-O 3.47Å; G24-Y133 VanDerWaalsContact CA-O 3.31Å; G24-Y133 WeakPolarHBondContact CA-O 3.34Å; G24-A172 VanDerWaalsContact O-CB 3.24Å; G24-A172 WeakPolarHBondContact O-CB 3.43Å
25I96.6Very high92.6Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-121.6130.9-178.4-58.7176.1000109.5Y39 A40 V41 A115 I119 V132 Y133 V134 D135I25-Y39 HydrophobicContact CG2-CD1 4.14Å; I25-A40 WeakPolarHBondContact CA-O 3.13Å; I25-V41 HydrophobicContact CD1-CG2 4.49Å; I25-V41 HydrophobicContact CG1-CB 4.1Å; I25-V41 HydrophobicContact CG1-CG2 3.85Å; I25-A115 HydrophobicContact CG2-CB 4.1Å; I25-I119 HydrophobicContact CD1-CD1 3.73Å; I25-I119 HydrophobicContact CD1-CG1 3.47Å; I25-I119 VanDerWaalsContact CD1-CG1 3.47Å; I25-V132 HydrophobicContact CD1-CG1 4.01Å; I25-V132 HydrophobicContact CG1-CG1 4.48Å; I25-Y133 PolarHBondContact N-O 2.66Å; I25-V134 HydrophobicContact CB-CB 4.5Å; I25-V134 HydrophobicContact CB-CG1 4.18Å; I25-V134 HydrophobicContact CB-CG2 4.21Å; I25-V134 HydrophobicContact CD1-CG2 4.22Å; I25-V134 HydrophobicContact CG2-CG1 4.33Å; I25-D135 PolarHBondContact O-N 2.86Å
26D96Very high93.2Very high6 Ų620.1 Ų20.13%0.03212%0.121CC..EExtended strand (participates in β ladder)trans-148.4166.9174.2-160.5-2.6000109.8A40 V169 A172 S173D26-A40 PolarHBondContact N-O 2.95Å; D26-A40 VanDerWaalsContact N-O 3.14Å; D26-A40 PolarHBondContact O-N 3.33Å; D26-V169 HydrophobicContact CB-CG1 3.99Å; D26-A172 HydrophobicContact CB-CB 4.27Å; D26-S173 WeakPolarHBondContact OD2-CB 3.24Å; D26-S173 PolarHBondContact OD2-OG 3.15Å
27E94.9Very high93.7Very high20 Ų2020 Ų209%0.09312%0.121CC..EExtended strand (participates in β ladder)trans-125.6163.5177.882.4-91.1178.300114.2R30 V38 Y39E27-R30 HydrophobicContact CG-CB 4.29Å; E27-V38 CarbonylContact C-O 3.6Å; E27-V38 VanDerWaalsContact CA-O 3.26Å; E27-V38 WeakPolarHBondContact CA-O 3.42Å; E27-Y39 HydrophobicContact CB-CD1 4Å; E27-Y39 HydrophobicContact CB-CD2 3.89Å; E27-Y39 HydrophobicContact CB-CE1 3.76Å; E27-Y39 HydrophobicContact CB-CE2 3.65Å; E27-Y39 HydrophobicContact CB-CG 4.03Å; E27-Y39 HydrophobicContact CG-CE1 4.47Å; E27-Y39 HydrophobicContact CG-CE2 4.17Å; E27-Y39 PolarHBondContact OE2-OH 2.69Å
28A94.2Very high94.2Very high9 Ų915.1 Ų15.17%0.07410%0.102CC..EExtended strand (participates in β ladder)trans-136.5148.7168.300000110.5V38 A176 K177 R180A28-V38 PolarHBondContact N-O 3.09Å; A28-V38 PolarHBondContact O-N 3.22Å; A28-A176 VanDerWaalsContact CB-C 3.47Å; A28-A176 HydrophobicContact CB-CB 3.73Å; A28-K177 HydrophobicContact CB-CB 4.18Å; A28-K177 HydrophobicContact CB-CG 3.74Å; A28-R180 HydrophobicContact CB-CB 4.09Å
29G93.2Very high94.7Very high7 Ų712.5 Ų12.57%0.0727%0.074CC..  trans79.725176.900000114.3R229G29-R229 VanDerWaalsContact O-CZ 3.24Å; G29-R229 PolarHBondContact O-NH1 2.75Å; G29-R229 PolarHBondContact O-NH2 3.36Å
30R93.3Very high95.1Very high53 Ų539 Ų920%0.26%0.059CC..SBendtrans-67.3-42.7174.1-172.7-178.6172.1106.53.9113.4E27 M37 L107 N108 S111 R229 W232E27-R30 HydrophobicContact CG-CB 4.29Å; R30-M37 HydrophobicContact CB-SD 4.13Å; R30-M37 HydrophobicContact CG-SD 4.14Å; R30-L107 HydrophobicContact CG-CD2 4.15Å; R30-N108 PolarHBondContact NH2-OD1 2.91Å; R30-S111 PolarHBondContact NH1-OG 3.24Å; R30-R229 PolarHBondContact O-NH1 3.26Å; R30-W232 VanDerWaalsContact O-CZ2 3.3Å; R30-W232 WeakPolarHBondContact O-CZ2 3.44Å
31G92Very high95.3Very high36 Ų366.7 Ų6.737%0.3714%0.043SC..SBendtrans-83.2-32.6-175.900000118W232G31-W232 PolarHBondContact O-NE1 2.77Å
32P94.7Very high95.3Very high0 Ų06.7 Ų6.70%04%0.043CC..  trans-54.9144-180-32.138.8000114.4L34 G201 Y202 R229 W232P32-L34 WeakPolarHBondContact CB-O 3.35Å; P32-G201 CarbonylContact C-O 3.59Å; P32-G201 WeakPolarHBondContact CA-O 3.09Å; P32-G201 VanDerWaalsContact CB-O 3.28Å; P32-G201 WeakPolarHBondContact CB-O 3.48Å; P32-Y202 HydrophobicContact CG-CD1 4.18Å; P32-Y202 HydrophobicContact CG-CD2 4.09Å; P32-Y202 HydrophobicContact CG-CE1 3.84Å; P32-Y202 HydrophobicContact CG-CE2 3.76Å; P32-Y202 HydrophobicContact CG-CG 4.31Å; P32-R229 WeakPolarHBondContact O-CD 3.39Å; P32-R229 VanDerWaalsContact O-CZ 3.29Å; P32-R229 PolarHBondContact O-NE 3.24Å; P32-R229 PolarHBondContact O-NH1 3.4Å; P32-W232 WeakPolarHBondContact O-CZ2 3.23Å; P32-W232 PolarHBondContact O-NE1 2.75Å
33V96.1Very high95.3Very high0 Ų06.5 Ų6.50%04%0.042CC..SBendtrans-83.9-20.1167.7610000111.4G201 P203 T210 L214 V228 R229 W232 A235V33-G201 WeakPolarHBondContact CG1-O 3.46Å; V33-G201 PolarHBondContact N-O 3.29Å; V33-P203 HydrophobicContact CB-CB 4.17Å; V33-P203 HydrophobicContact CG1-CB 3.82Å; V33-T210 HydrophobicContact CG1-CG2 4.18Å; V33-L214 HydrophobicContact CG1-CD1 3.51Å; V33-L214 HydrophobicContact CG1-CD2 4.48Å; V33-V228 HydrophobicContact CG2-CG1 4.16Å; V33-R229 WeakPolarHBondContact O-CB 3.45Å; V33-R229 WeakPolarHBondContact O-CG 3.23Å; V33-R229 PolarHBondContact O-N 2.81Å; V33-W232 HydrophobicContact CB-CB 4.28Å; V33-W232 HydrophobicContact CB-CG 4.08Å; V33-W232 HydrophobicContact CG2-CB 3.76Å; V33-W232 HydrophobicContact CG2-CG 4.07Å; V33-A235 HydrophobicContact CG2-CB 4.12Å
34L95.4Very high95.2Very high0 Ų06.5 Ų6.50%04%0.042CC..BIsolated β-bridgetrans-104.4142.7175.2-52.5-174.8000112.3P32 L184 F188 V198 G201 T210 Y213 L214 V228P32-L34 WeakPolarHBondContact CB-O 3.35Å; L34-L184 HydrophobicContact CB-CD1 4.34Å; L34-F188 HydrophobicContact CB-CE2 4.39Å; L34-F188 HydrophobicContact CB-CZ 4.23Å; L34-F188 HydrophobicContact CD1-CZ 4.25Å; L34-F188 HydrophobicContact CD2-CZ 4.37Å; L34-V198 HydrophobicContact CD1-CG1 3.39Å; L34-G201 PolarHBondContact N-O 3.18Å; L34-T210 HydrophobicContact CD1-CG2 3.85Å; L34-T210 HydrophobicContact CG-CG2 4.09Å; L34-Y213 HydrophobicContact CD1-CD1 3.75Å; L34-Y213 HydrophobicContact CD1-CE1 4.11Å; L34-Y213 HydrophobicContact CD2-CD1 4.36Å; L34-Y213 HydrophobicContact CD2-CE1 4.21Å; L34-L214 HydrophobicContact CD2-CD2 3.74Å; L34-L214 HydrophobicContact CD2-CG 4.37Å; L34-V228 HydrophobicContact CD2-CB 4.23Å; L34-V228 HydrophobicContact CD2-CG1 4.23Å; L34-V228 HydrophobicContact CD2-CG2 3.65Å
35G94.5Very high95Very high0 Ų08.4 Ų8.40%05%0.05CC..SBendtrans78.2-175.5169.100000114.8F227 R229G35-F227 PolarHBondContact N-O 3.23Å; G35-R229 VanDerWaalsContact O-CZ 3.29Å; G35-R229 PolarHBondContact O-NE 2.84Å; G35-R229 PolarHBondContact O-NH2 2.98Å
36P95.7Very high94.7Very high2 Ų210.5 Ų10.51%0.0136%0.063CC..  trans-78.9161.1-17233.1-38.1000113.1V38 I89 L90 Q183 R229P36-V38 HydrophobicContact CG-CG2 4.39Å; P36-I89 HydrophobicContact CB-CG2 3.85Å; P36-I89 HydrophobicContact CG-CG2 4.36Å; P36-L90 CarbonylContact C-O 3.43Å; P36-L90 WeakPolarHBondContact CA-O 2.99Å; P36-L90 WeakPolarHBondContact CB-O 3.37Å; P36-Q183 HydrophobicContact CG-CB 4.04Å; P36-Q183 HydrophobicContact CG-CG 3.78Å; P36-R229 PolarHBondContact O-NH2 2.84Å
37M96.2Very high94.4Very high0 Ų015.5 Ų15.50%09%0.094CC..EExtended strand (participates in β ladder)trans-99.5127.1162.2-175.4168.770.300107.5R30 Y39 L90 I95 L107 I110R30-M37 HydrophobicContact CB-SD 4.13Å; R30-M37 HydrophobicContact CG-SD 4.14Å; M37-Y39 HydrophobicContact CE-CD2 4.39Å; M37-Y39 HydrophobicContact CE-CE2 3.83Å; M37-Y39 HydrophobicContact CG-CD2 4.46Å; M37-Y39 HydrophobicContact CG-CE2 4.29Å; M37-Y39 HydrophobicContact SD-CE2 4.09Å; M37-L90 HydrophobicContact CB-CB 4.4Å; M37-L90 HydrophobicContact CB-CD1 4.49Å; M37-L90 HydrophobicContact CE-CD1 3.44Å; M37-L90 VanDerWaalsContact CE-CD1 3.44Å; M37-L90 PolarHBondContact N-O 3.03Å; M37-L90 WeakPolarHBondContact O-CB 3.44Å; M37-L90 PolarHBondContact O-N 2.53Å; M37-I95 HydrophobicContact CB-CD1 3.7Å; M37-L107 HydrophobicContact CE-CD1 3.84Å; M37-L107 HydrophobicContact SD-CD1 4.14Å; M37-I110 HydrophobicContact CE-CG2 4.02Å
38V96.7Very high94.2Very high0 Ų017.4 Ų17.40%010%0.103CC..EExtended strand (participates in β ladder)trans-114.9120.1-177.4-176.80000108.8E27 A28 P36 L87 K88 I89 A176 T179 R180E27-V38 CarbonylContact C-O 3.6Å; E27-V38 VanDerWaalsContact CA-O 3.26Å; E27-V38 WeakPolarHBondContact CA-O 3.42Å; A28-V38 PolarHBondContact N-O 3.09Å; A28-V38 PolarHBondContact O-N 3.22Å; P36-V38 HydrophobicContact CG-CG2 4.39Å; V38-L87 HydrophobicContact CG1-CD2 4.27Å; V38-K88 WeakPolarHBondContact CA-O 3.43Å; V38-I89 HydrophobicContact CG1-CG1 4.25Å; V38-I89 HydrophobicContact CG2-CG1 4.25Å; V38-I89 HydrophobicContact CG2-CG2 4.25Å; V38-A176 HydrophobicContact CG1-CB 4.4Å; V38-T179 HydrophobicContact CG1-CG2 4.03Å; V38-T179 HydrophobicContact CG2-CG2 4.39Å; V38-R180 HydrophobicContact CB-CB 4.25Å; V38-R180 HydrophobicContact CG2-CB 3.75Å; V38-R180 HydrophobicContact CG2-CG 4.35Å
39Y96.9Very high93.8Very high4 Ų419 Ų192%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-93.6140.3165.7-91.9-96000109.3I25 E27 M37 L87 K88 L90 S111 A114 A115I25-Y39 HydrophobicContact CG2-CD1 4.14Å; E27-Y39 HydrophobicContact CB-CD1 4Å; E27-Y39 HydrophobicContact CB-CD2 3.89Å; E27-Y39 HydrophobicContact CB-CE1 3.76Å; E27-Y39 HydrophobicContact CB-CE2 3.65Å; E27-Y39 HydrophobicContact CB-CG 4.03Å; E27-Y39 HydrophobicContact CG-CE1 4.47Å; E27-Y39 HydrophobicContact CG-CE2 4.17Å; E27-Y39 PolarHBondContact OE2-OH 2.69Å; M37-Y39 HydrophobicContact CE-CD2 4.39Å; M37-Y39 HydrophobicContact CE-CE2 3.83Å; M37-Y39 HydrophobicContact CG-CD2 4.46Å; M37-Y39 HydrophobicContact CG-CE2 4.29Å; M37-Y39 HydrophobicContact SD-CE2 4.09Å; Y39-L87 CarbonylContact O-C 3.59Å; Y39-L87 WeakPolarHBondContact O-CA 3.45Å; Y39-K88 PolarHBondContact N-O 3.19Å; Y39-K88 PolarHBondContact O-N 3.19Å; Y39-L90 HydrophobicContact CD2-CD1 4.44Å; Y39-S111 WeakPolarHBondContact OH-CB 3.43Å; Y39-S111 PolarHBondContact OH-OG 3.4Å; Y39-A114 HydrophobicContact CD2-CB 3.86Å; Y39-A114 HydrophobicContact CE2-CB 4.39Å; Y39-A114 HydrophobicContact CG-CB 4Å; Y39-A115 HydrophobicContact CD1-CB 4.26Å; Y39-A115 HydrophobicContact CE1-CB 4.25Å
40A96.4Very high93.4Very high0 Ų020.8 Ų20.80%013%0.129CC..EExtended strand (participates in β ladder)trans-128.5145.4173.700000110.9I25 D26 G86 L87 A172 C175 A176I25-A40 WeakPolarHBondContact CA-O 3.13Å; D26-A40 PolarHBondContact N-O 2.95Å; D26-A40 VanDerWaalsContact N-O 3.14Å; D26-A40 PolarHBondContact O-N 3.33Å; A40-G86 CarbonylContact C-O 3.56Å; A40-G86 VanDerWaalsContact CA-O 3.23Å; A40-G86 WeakPolarHBondContact CA-O 3.32Å; A40-L87 HydrophobicContact CB-CD2 3.69Å; A40-A172 HydrophobicContact CB-CB 4.38Å; A40-A172 VanDerWaalsContact CB-O 3.25Å; A40-A172 WeakPolarHBondContact CB-O 3.33Å; A40-C175 HydrophobicContact CB-CB 4.01Å; A40-A176 HydrophobicContact CB-CB 3.74Å
41V96.1Very high92.9Very high0 Ų022.3 Ų22.30%013%0.134CC..EExtended strand (participates in β ladder)trans-115.4124.6165.5630000108.4L23 G24 I25 I43 Y85 G86 L118L23-V41 HydrophobicContact CB-CG2 4.09Å; L23-V41 HydrophobicContact CD1-CG2 4.27Å; L23-V41 HydrophobicContact CD2-CG2 4.07Å; L23-V41 HydrophobicContact CG-CG2 4.39Å; G24-V41 CarbonylContact O-C 3.54Å; G24-V41 VanDerWaalsContact O-CA 3.25Å; G24-V41 WeakPolarHBondContact O-CA 3.05Å; I25-V41 HydrophobicContact CD1-CG2 4.49Å; I25-V41 HydrophobicContact CG1-CB 4.1Å; I25-V41 HydrophobicContact CG1-CG2 3.85Å; V41-I43 HydrophobicContact CG1-CG1 4.46Å; V41-I43 HydrophobicContact CG2-CG1 4.31Å; V41-Y85 CarbonylContact O-C 3.54Å; V41-Y85 WeakPolarHBondContact O-CA 3.23Å; V41-Y85 WeakPolarHBondContact O-CB 3.25Å; V41-G86 PolarHBondContact N-O 3.44Å; V41-G86 PolarHBondContact O-N 3.02Å; V41-L118 HydrophobicContact CB-CB 4.16Å; V41-L118 HydrophobicContact CB-CD1 4.28Å; V41-L118 HydrophobicContact CG1-CB 4.05Å; V41-L118 HydrophobicContact CG1-CD1 4.45Å; V41-L118 HydrophobicContact CG1-CD2 4.01Å; V41-L118 HydrophobicContact CG1-CG 4.41Å
42G94.8Very high92.3Very high0 Ų020.6 Ų20.60%012%0.117CC..EExtended strand (participates in β ladder)trans-88.4137.4164.100000109.3L23 G24L23-G42 CarbonylContact C-O 3.55Å; L23-G42 WeakPolarHBondContact CA-O 3.36Å; G24-G42 PolarHBondContact N-O 2.71Å; G24-G42 PolarHBondContact O-N 3.27Å
43I95Very high91.5Very high0 Ų026 Ų260%014%0.142CC..EExtended strand (participates in β ladder)trans-125.4124.1-177.6-46.4174.7000106.6M9 A13 L16 C21 L23 V41 F83 G84 I127M9-I43 HydrophobicContact CE-CD1 3.51Å; A13-I43 HydrophobicContact CB-CD1 4.16Å; L16-I43 HydrophobicContact CD1-CB 3.89Å; L16-I43 HydrophobicContact CD1-CG2 3.51Å; C21-I43 HydrophobicContact CB-CG2 4.08Å; L23-I43 HydrophobicContact CD2-CB 3.94Å; L23-I43 HydrophobicContact CD2-CG1 3.68Å; L23-I43 HydrophobicContact CD2-CG2 3.68Å; V41-I43 HydrophobicContact CG1-CG1 4.46Å; V41-I43 HydrophobicContact CG2-CG1 4.31Å; I43-F83 CarbonylContact O-C 3.49Å; I43-F83 WeakPolarHBondContact O-CA 3.23Å; I43-F83 WeakPolarHBondContact O-CD2 3.5Å; I43-G84 PolarHBondContact N-O 2.93Å; I43-G84 PolarHBondContact O-N 3.32Å; I43-I127 HydrophobicContact CD1-CD1 3.85Å; I43-I127 HydrophobicContact CG2-CD1 4.17Å; I43-I127 HydrophobicContact CG2-CG2 4.11Å
44C93.6Very high90.2Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-141.6143.2177.3-1730000110.4C21 T22 T46 L52 V82 F83 I168C21-C44 CarbonylContact C-O 3.58Å; C21-C44 WeakPolarHBondContact CA-O 3.48Å; C21-C44 WeakPolarHBondContact CB-O 3.44Å; T22-C44 PolarHBondContact N-O 3.24Å; T22-C44 PolarHBondContact O-N 3.02Å; T22-C44 VanDerWaalsContact O-N 3.1Å; C44-T46 PolarHBondContact O-N 3.27Å; C44-L52 HydrophobicContact CB-CD1 3.7Å; C44-V82 WeakPolarHBondContact CA-O 3.39Å; C44-V82 PolarHBondContact SG-O 3.38Å; C44-F83 HydrophobicContact CB-CD2 4.49Å; C44-I168 HydrophobicContact CB-CD1 3.58Å
45E92.5Very high88.9Confident40 Ų4033.4 Ų33.419%0.18719%0.186CC..EExtended strand (participates in β ladder)trans-58.1129.8171.7-173.8169.4-164.900109.7L16 K19 S20 T47 E48 L49L16-E45 HydrophobicContact CD2-CB 4.23Å; K19-E45 HydrophobicContact CD-CG 4.41Å; K19-E45 WeakPolarHBondContact CD-OE2 3.31Å; K19-E45 IonicContact NZ-OE1 3.67Å; K19-E45 IonicContact NZ-OE2 2.73Å; K19-E45 PolarHBondContact NZ-OE2 3.42Å; S20-E45 WeakPolarHBondContact O-CA 3.27Å; E45-T47 PolarHBondContact O-N 3.05Å; E45-T47 VanDerWaalsContact O-N 3.13Å; E45-E48 HydrophobicContact CB-CB 4.28Å; E45-E48 HydrophobicContact CB-CG 4.22Å; E45-E48 HydrophobicContact CG-CG 4.45Å; E45-E48 PolarHBondContact O-N 3.24Å; E45-L49 PolarHBondContact O-N 3.11Å
46T90.9Very high87.6Confident43 Ų4342 Ų4226%0.26422%0.223SC..G310 helixtrans-58.2-34.3-170.7-59.60000112S20 T22 C44 E48 L49 E130S20-T46 PolarHBondContact O-N 3.28Å; S20-T46 PolarHBondContact O-OG1 3.3Å; T22-T46 PolarHBondContact OG1-OG1 3.46Å; C44-T46 PolarHBondContact O-N 3.27Å; T46-E48 VanDerWaalsContact C-N 3.29Å; T46-E48 PolarHBondContact O-N 3.24Å; T46-L49 HydrophobicContact CG2-CD1 4.26Å; T46-E130 VanDerWaalsContact CB-OE2 3.27Å; T46-E130 WeakPolarHBondContact CB-OE2 3.49Å; T46-E130 WeakPolarHBondContact CG2-OE2 3.28Å; T46-E130 PolarHBondContact OG1-OE2 2.91Å
47T90.1Very high86.1Confident111 Ų11142 Ų4268%0.68122%0.223SC*.G310 helixtrans-70.9-24.117855.40000113.3E45E45-T47 PolarHBondContact O-N 3.05Å; E45-T47 VanDerWaalsContact O-N 3.13Å
48E89.3Confident84.3Confident60 Ų6046.8 Ų46.828%0.2824%0.244SC..G310 helixtrans-99.82.3-174.1-61.5-61.4133.700113.1E45 T46 G50 R51 V82E45-E48 HydrophobicContact CB-CB 4.28Å; E45-E48 HydrophobicContact CB-CG 4.22Å; E45-E48 HydrophobicContact CG-CG 4.45Å; E45-E48 PolarHBondContact O-N 3.24Å; T46-E48 VanDerWaalsContact C-N 3.29Å; T46-E48 PolarHBondContact O-N 3.24Å; E48-G50 PolarHBondContact O-N 3.04Å; E48-R51 WeakPolarHBondContact O-CB 3.21Å; E48-R51 PolarHBondContact O-N 2.84Å; E48-R51 WeakPolarHBondContact OE2-CD 2.93Å; E48-R51 IonicContact OE2-NH1 3.21Å; E48-V82 HydrophobicContact CB-CB 4.08Å; E48-V82 HydrophobicContact CB-CG1 3.91Å; E48-V82 HydrophobicContact CG-CB 4.44Å; E48-V82 HydrophobicContact CG-CG1 3.77Å
49L86.2Confident82.6Confident43 Ų4351 Ų5123%0.22527%0.266CS..Hα-helixtrans-50-33.8176.8-88.5164.9000113.2T22 E45 T46 R51 L52 I168T22-L49 HydrophobicContact CG2-CD1 4.09Å; T22-L49 HydrophobicContact CG2-CD2 4.27Å; E45-L49 PolarHBondContact O-N 3.11Å; T46-L49 HydrophobicContact CG2-CD1 4.26Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.09Å; L49-L52 HydrophobicContact CD2-CD1 4.5Å; L49-L52 WeakPolarHBondContact O-CB 3.42Å; L49-L52 PolarHBondContact O-N 2.87Å; L49-L52 VanDerWaalsContact O-N 3.15Å; L49-I168 HydrophobicContact CD2-CB 4.07Å; L49-I168 HydrophobicContact CD2-CG2 4.44Å
50G84.2Confident80.9Confident45 Ų4551 Ų5146%0.46427%0.266SS..Hα-helixtrans-62.1-29.6176.900000113.9E48 L52 E53E48-G50 PolarHBondContact O-N 3.04Å; G50-L52 VanDerWaalsContact C-N 3.26Å; G50-L52 PolarHBondContact O-N 3.3Å; G50-E53 WeakPolarHBondContact O-CB 3.4Å; G50-E53 PolarHBondContact O-N 3.25Å
51R83.2Confident79.4Confident84 Ų8456.9 Ų56.932%0.31729%0.292SS..Hα-helixtrans-66.6-29.6175.9-70.3-18067.2-171.6-7.5112E48 L49 E53 V54 D81E48-R51 WeakPolarHBondContact O-CB 3.21Å; E48-R51 PolarHBondContact O-N 2.84Å; E48-R51 WeakPolarHBondContact OE2-CD 2.93Å; E48-R51 IonicContact OE2-NH1 3.21Å; L49-R51 VanDerWaalsContact C-N 3.27Å; L49-R51 PolarHBondContact O-N 3.09Å; R51-E53 VanDerWaalsContact C-N 3.33Å; R51-V54 PolarHBondContact O-N 3.17Å; R51-D81 IonicContact CZ-OD2 2.73Å; R51-D81 IonicContact NH1-OD2 2.58Å; R51-D81 PolarHBondContact NH1-OD2 2.76Å; R51-D81 IonicContact NH2-OD1 3.23Å; R51-D81 IonicContact NH2-OD2 2.77Å; R51-D81 PolarHBondContact NH2-OD2 2.91Å
52L80.8Confident78.1Confident0 Ų064.6 Ų64.60%033%0.328CS..Hα-helixtrans-72-26.5175.7-66.8176.5000112.6C44 L49 G50 V54 L55 L75 F83 P167 I168C44-L52 HydrophobicContact CB-CD1 3.7Å; L49-L52 HydrophobicContact CD2-CD1 4.5Å; L49-L52 WeakPolarHBondContact O-CB 3.42Å; L49-L52 PolarHBondContact O-N 2.87Å; L49-L52 VanDerWaalsContact O-N 3.15Å; G50-L52 VanDerWaalsContact C-N 3.26Å; G50-L52 PolarHBondContact O-N 3.3Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 3.3Å; L52-L55 HydrophobicContact CD2-CD1 4.15Å; L52-L55 PolarHBondContact O-N 3.35Å; L52-L75 HydrophobicContact CD2-CD2 3.71Å; L52-F83 HydrophobicContact CD1-CD2 4.2Å; L52-F83 HydrophobicContact CD2-CB 4.4Å; L52-F83 HydrophobicContact CD2-CD2 4.05Å; L52-F83 HydrophobicContact CD2-CG 4.37Å; L52-P167 HydrophobicContact CB-CB 4.07Å; L52-I168 HydrophobicContact CD1-CB 4.47Å; L52-I168 HydrophobicContact CD1-CD1 3.6Å
53E77Confident77.3Confident114 Ų11467 Ų6753%0.53334%0.34SS..Hα-helixtrans-65.3-37.1174.8-70.1-165.7151.800112.1G50 R51 L55 K56 P167G50-E53 WeakPolarHBondContact O-CB 3.4Å; G50-E53 PolarHBondContact O-N 3.25Å; R51-E53 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 3.19Å; E53-K56 PolarHBondContact O-N 3.44Å; E53-K56 VanDerWaalsContact O-N 3.13Å; E53-P167 HydrophobicContact CG-CB 4.21Å; E53-P167 HydrophobicContact CG-CG 3.41Å; E53-P167 VanDerWaalsContact CG-CG 3.41Å
54V68Low76.9Confident121 Ų12170.5 Ų70.573%0.73336%0.362SS*.Hα-helixtrans-62.3-29.9-178.6-177.30000111.7R51 L52 K56R51-V54 PolarHBondContact O-N 3.17Å; L52-V54 VanDerWaalsContact C-N 3.3Å; L52-V54 PolarHBondContact O-N 3.3Å; V54-K56 PolarHBondContact O-N 3.1Å; V54-K56 VanDerWaalsContact O-N 3.1Å
55L68.2Low76.5Confident35 Ų3573.2 Ų73.218%0.18338%0.375CS..THydrogen-bonded Turntrans-70.7-0.3178.8-75.3166.4000114.3L52 E53 V57 L75L52-L55 HydrophobicContact CD2-CD1 4.15Å; L52-L55 PolarHBondContact O-N 3.35Å; E53-L55 PolarHBondContact O-N 3.19Å; L55-V57 HydrophobicContact CB-CG2 3.58Å; L55-V57 PolarHBondContact O-N 3.29Å; L55-V57 VanDerWaalsContact O-N 3.17Å; L55-L75 HydrophobicContact CD1-CD2 3.45Å; L55-L75 VanDerWaalsContact CD1-CD2 3.45Å; L55-L75 HydrophobicContact CD1-CG 4.23Å
56K67.8Low76.3Confident179 Ų17977.6 Ų77.678%0.77840%0.395SS*.THydrogen-bonded Turntrans50.439.1-179.7-69-171176.7-177.90113.3E53 V54 K58E53-K56 PolarHBondContact O-N 3.44Å; E53-K56 VanDerWaalsContact O-N 3.13Å; V54-K56 PolarHBondContact O-N 3.1Å; V54-K56 VanDerWaalsContact O-N 3.1Å; K56-K58 PolarHBondContact O-N 3.35Å; K56-K58 VanDerWaalsContact O-N 3.13Å
57V64.7Low76.2Confident2 Ų278.3 Ų78.31%0.01240%0.4CS..G310 helixtrans-65.5-20.1-176.9-160.30000112.4L55 D59 S170 A171 I174L55-V57 HydrophobicContact CB-CG2 3.58Å; L55-V57 PolarHBondContact O-N 3.29Å; L55-V57 VanDerWaalsContact O-N 3.17Å; V57-D59 VanDerWaalsContact C-N 3.3Å; V57-D59 PolarHBondContact O-N 3.13Å; V57-S170 VanDerWaalsContact C-OG 3.26Å; V57-S170 VanDerWaalsContact CG1-C 3.43Å; V57-S170 PolarHBondContact O-OG 3.39Å; V57-A171 HydrophobicContact CG1-CB 4.31Å; V57-I174 HydrophobicContact CG1-CD1 3.49Å; V57-I174 VanDerWaalsContact CG1-CD1 3.49Å; V57-I174 HydrophobicContact CG1-CG1 4.2Å
58K58.6Low76.2Confident102 Ų10274.4 Ų74.444%0.44337%0.373SS..G310 helixtrans-56.4-19.8-165.8-92.2-177.3172.9170.20118.1K56 S170K56-K58 PolarHBondContact O-N 3.35Å; K56-K58 VanDerWaalsContact O-N 3.13Å; K58-S170 WeakPolarHBondContact CA-OG 3.37Å
59D59.9Low76.3Confident88 Ų8873.2 Ų73.247%0.47137%0.37SS..G310 helixtrans-120.944.8-175.1-150.7-5.2000114V57 K61 Q62 L63V57-D59 VanDerWaalsContact C-N 3.3Å; V57-D59 PolarHBondContact O-N 3.13Å; D59-K61 PolarHBondContact O-N 2.81Å; D59-Q62 PolarHBondContact O-N 2.91Å; D59-L63 WeakPolarHBondContact O-CG 3.4Å
60S61.2Low76.5Confident3 Ų373.5 Ų73.52%0.02138%0.376CS..THydrogen-bonded Turntrans-57.5-17.7-175.876.40000115.5K177S60-K177 PolarHBondContact OG-NZ 3.38Å; S60-K177 VanDerWaalsContact OG-NZ 3.1Å
61K64.9Low76.7Confident125 Ų12572.4 Ų72.454%0.54336%0.359SS..THydrogen-bonded Turntrans-75.9-24.2-178.7-73.9175.6179.3137.30113.2D59 D163D59-K61 PolarHBondContact O-N 2.81Å; K61-D163 WeakPolarHBondContact CE-OD2 3.28Å; K61-D163 IonicContact NZ-OD1 3.75Å; K61-D163 PolarHBondContact NZ-OD1 3.01Å; K61-D163 IonicContact NZ-OD2 2.65Å; K61-D163 PolarHBondContact NZ-OD2 3.5Å
62Q70.1Confident77.1Confident161 Ų16169.9 Ų69.975%0.75235%0.351SS*.THydrogen-bonded Turntrans-99.6-3.8176.9-58.6-160.513.100113.1D59D59-Q62 PolarHBondContact O-N 2.91Å
63L77.9Confident77.5Confident50 Ų5075.9 Ų75.926%0.26238%0.379SS..  trans-77.9136.6-178-60.6-177.7000111.1D59 T67 R68 I71D59-L63 WeakPolarHBondContact O-CG 3.4Å; L63-T67 HydrophobicContact CB-CG2 4.39Å; L63-T67 HydrophobicContact CD1-CG2 4.44Å; L63-T67 HydrophobicContact CD2-CG2 3.98Å; L63-T67 HydrophobicContact CG-CG2 4.5Å; L63-R68 HydrophobicContact CB-CG 3.87Å; L63-I71 HydrophobicContact CD1-CD1 3.47Å; L63-I71 VanDerWaalsContact CD1-CD1 3.47Å
64T85.7Confident78.1Confident74 Ų7475.1 Ų75.145%0.45437%0.374SS..  trans-64.2160.417178.80000110.4E66 T67 R68T64-E66 VanDerWaalsContact C-N 3.29Å; T64-E66 WeakPolarHBondContact CB-OE2 3.35Å; T64-E66 PolarHBondContact O-N 3.44Å; T64-E66 PolarHBondContact OG1-OE2 2.9Å; T64-T67 PolarHBondContact O-N 2.89Å; T64-T67 PolarHBondContact OG1-N 3.13Å; T64-T67 PolarHBondContact OG1-OG1 3.17Å; T64-R68 WeakPolarHBondContact O-CG 3.36Å; T64-R68 PolarHBondContact O-N 2.83Å
65E86.3Confident78.9Confident57 Ų5769.4 Ų69.427%0.26634%0.339SS..Hα-helixtrans-57.7-43.6177.8-169.5-172.9151.600111.8T67 R68 C69 R185E65-T67 VanDerWaalsContact C-N 3.29Å; E65-T67 PolarHBondContact O-N 2.88Å; E65-R68 WeakPolarHBondContact O-CB 3.25Å; E65-R68 PolarHBondContact O-N 3.03Å; E65-R68 VanDerWaalsContact O-N 3.16Å; E65-C69 PolarHBondContact O-N 2.84Å; E65-C69 PolarHBondContact O-SG 3.49Å; E65-C69 VanDerWaalsContact O-SG 3.37Å; E65-R185 IonicContact OE1-CZ 2.63Å; E65-R185 IonicContact OE1-NH1 3.15Å; E65-R185 PolarHBondContact OE1-NH1 3.12Å; E65-R185 IonicContact OE1-NH2 2.87Å; E65-R185 PolarHBondContact OE1-NH2 2.83Å; E65-R185 IonicContact OE2-NH1 3.61Å
66E87.9Confident79.7Confident133 Ų13369.2 Ų69.262%0.62134%0.342SS*.Hα-helixtrans-61.8-40.3178.6-54.175.6-163.500111.1T64 C69 S70T64-E66 VanDerWaalsContact C-N 3.29Å; T64-E66 WeakPolarHBondContact CB-OE2 3.35Å; T64-E66 PolarHBondContact O-N 3.44Å; T64-E66 PolarHBondContact OG1-OE2 2.9Å; E66-C69 PolarHBondContact O-N 2.82Å; E66-S70 PolarHBondContact O-N 3.08Å
67T88.8Confident80.5Confident57 Ų5764.7 Ų64.735%0.3533%0.33SS..Hα-helixtrans-66.6-40.7178-50.90000110.9L63 T64 E65 S70 I71L63-T67 HydrophobicContact CB-CG2 4.39Å; L63-T67 HydrophobicContact CD1-CG2 4.44Å; L63-T67 HydrophobicContact CD2-CG2 3.98Å; L63-T67 HydrophobicContact CG-CG2 4.5Å; T64-T67 PolarHBondContact O-N 2.89Å; T64-T67 PolarHBondContact OG1-N 3.13Å; T64-T67 PolarHBondContact OG1-OG1 3.17Å; E65-T67 VanDerWaalsContact C-N 3.29Å; E65-T67 PolarHBondContact O-N 2.88Å; T67-S70 PolarHBondContact O-N 2.79Å; T67-I71 HydrophobicContact CG2-CD1 4.14Å; T67-I71 VanDerWaalsContact O-CG1 3.32Å; T67-I71 WeakPolarHBondContact O-CG1 3.3Å; T67-I71 PolarHBondContact O-N 3.21Å
68R90.3Very high81.3Confident30 Ų3069.4 Ų69.411%0.11336%0.355CS..Hα-helixtrans-62.7-43.4174.9-71-174.1-73.4124.9-10.9111.6L63 T64 E65 I71 F72 I174 V178 D181L63-R68 HydrophobicContact CB-CG 3.87Å; T64-R68 WeakPolarHBondContact O-CG 3.36Å; T64-R68 PolarHBondContact O-N 2.83Å; E65-R68 WeakPolarHBondContact O-CB 3.25Å; E65-R68 PolarHBondContact O-N 3.03Å; E65-R68 VanDerWaalsContact O-N 3.16Å; R68-I71 PolarHBondContact O-N 2.99Å; R68-F72 WeakPolarHBondContact O-CB 3.14Å; R68-F72 PolarHBondContact O-N 2.98Å; R68-I174 HydrophobicContact CB-CG2 4.44Å; R68-I174 WeakPolarHBondContact O-CG2 3.46Å; R68-V178 HydrophobicContact CB-CG2 3.74Å; R68-D181 IonicContact CZ-OD2 3.55Å; R68-D181 VanDerWaalsContact CZ-OD2 3.23Å; R68-D181 IonicContact NH1-OD2 2.88Å; R68-D181 PolarHBondContact NH1-OD2 2.82Å; R68-D181 IonicContact NH2-OD2 3.77Å; R68-D181 PolarHBondContact NH2-OD2 2.88Å
69C90.6Very high82.3Confident35 Ų3566 Ų6624%0.23634%0.34CS..Hα-helixtrans-60.7-45.8175.4-69.40000111.6E65 E66 I71 F72 E73E65-C69 PolarHBondContact O-N 2.84Å; E65-C69 PolarHBondContact O-SG 3.49Å; E65-C69 VanDerWaalsContact O-SG 3.37Å; E66-C69 PolarHBondContact O-N 2.82Å; C69-I71 PolarHBondContact O-N 3.06Å; C69-F72 PolarHBondContact O-N 3.15Å; C69-E73 WeakPolarHBondContact O-CG 3.31Å; C69-E73 PolarHBondContact O-N 3.41Å
70S90.7Very high83.4Confident49 Ų4963.9 Ų63.934%0.34333%0.332SS..Hα-helixtrans-62.6-39.8177.8-175.80000112.7E66 T67 E73 K74E66-S70 PolarHBondContact O-N 3.08Å; T67-S70 PolarHBondContact O-N 2.79Å; S70-E73 PolarHBondContact O-N 2.81Å; S70-K74 WeakPolarHBondContact O-CG 3.47Å; S70-K74 PolarHBondContact O-N 3.27Å
71I89.2Confident84.4Confident22 Ų2267.3 Ų67.311%0.11335%0.351CS..Hα-helixtrans-67.3-41.9176-65.7164.9000110.8L63 T67 R68 C69 E73 K74 L75 I174L63-I71 HydrophobicContact CD1-CD1 3.47Å; L63-I71 VanDerWaalsContact CD1-CD1 3.47Å; T67-I71 HydrophobicContact CG2-CD1 4.14Å; T67-I71 VanDerWaalsContact O-CG1 3.32Å; T67-I71 WeakPolarHBondContact O-CG1 3.3Å; T67-I71 PolarHBondContact O-N 3.21Å; R68-I71 PolarHBondContact O-N 2.99Å; C69-I71 PolarHBondContact O-N 3.06Å; I71-E73 VanDerWaalsContact C-N 3.34Å; I71-E73 PolarHBondContact O-N 3.4Å; I71-K74 PolarHBondContact O-N 3.04Å; I71-L75 HydrophobicContact CG2-CD1 4.02Å; I71-L75 HydrophobicContact CG2-CG 4.39Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.39Å; I71-L75 PolarHBondContact O-N 2.84Å; I71-I174 HydrophobicContact CB-CD1 4.06Å; I71-I174 HydrophobicContact CD1-CD1 4.02Å; I71-I174 HydrophobicContact CG2-CD1 3.52Å; I71-I174 HydrophobicContact CG2-CG2 4.45Å
72F91.1Very high85.3Confident31 Ų3161.7 Ų61.714%0.13633%0.327CS..Hα-helixtrans-60.7-44.3176.4179.8-98.5000111.8R68 C69 L75 A76 Y85 I174 C175 V178R68-F72 WeakPolarHBondContact O-CB 3.14Å; R68-F72 PolarHBondContact O-N 2.98Å; C69-F72 PolarHBondContact O-N 3.15Å; F72-L75 PolarHBondContact O-N 3.48Å; F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 2.74Å; F72-Y85 HydrophobicContact CE2-CE1 4.15Å; F72-Y85 HydrophobicContact CE2-CE2 4.33Å; F72-Y85 HydrophobicContact CZ-CE1 4.03Å; F72-Y85 HydrophobicContact CZ-CE2 4.1Å; F72-Y85 AromaticContact CZ-CZ 3.63Å; F72-I174 HydrophobicContact CB-CG2 4.06Å; F72-C175 HydrophobicContact CD2-CB 4.16Å; F72-C175 HydrophobicContact CE2-CB 3.91Å; F72-V178 HydrophobicContact CB-CB 4.4Å; F72-V178 HydrophobicContact CB-CG1 4.29Å; F72-V178 HydrophobicContact CB-CG2 4.05Å; F72-V178 HydrophobicContact CD1-CG1 4.15Å; F72-V178 HydrophobicContact CG-CB 4.4Å; F72-V178 HydrophobicContact CG-CG1 4.15Å
73E89.7Confident86.3Confident126 Ų12654 Ų5459%0.58929%0.291SS*.Hα-helixtrans-59.3-48.8175.4-75.1175.917700111.2C69 S70 I71 L75 A76 T77C69-E73 WeakPolarHBondContact O-CG 3.31Å; C69-E73 PolarHBondContact O-N 3.41Å; S70-E73 PolarHBondContact O-N 2.81Å; I71-E73 VanDerWaalsContact C-N 3.34Å; I71-E73 PolarHBondContact O-N 3.4Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.4Å; E73-A76 CarbonylContact O-C 3.52Å; E73-A76 PolarHBondContact O-N 2.81Å; E73-T77 PolarHBondContact O-N 3.37Å; E73-T77 PolarHBondContact O-OG1 2.8Å
74K87.6Confident87Confident98 Ų9851.7 Ų51.743%0.42628%0.279SS..Hα-helixtrans-59.7-41176.5-71.9174.9-178.1177.30113.1S70 I71 A76 D78 H79S70-K74 WeakPolarHBondContact O-CG 3.47Å; S70-K74 PolarHBondContact O-N 3.27Å; I71-K74 PolarHBondContact O-N 3.04Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 2.78Å; K74-D78 WeakPolarHBondContact O-CA 3.38Å; K74-D78 WeakPolarHBondContact O-CB 3.2Å; K74-D78 PolarHBondContact O-N 2.82Å; K74-H79 PolarHBondContact O-N 2.81Å
75L86.6Confident87.4Confident1 Ų150 Ų501%0.00526%0.264CS..Hα-helixtrans-62.3-40.1174.7-78.4168.5000111.4L52 L55 I71 F72 E73 H79 F83 A171L52-L75 HydrophobicContact CD2-CD2 3.71Å; L55-L75 HydrophobicContact CD1-CD2 3.45Å; L55-L75 VanDerWaalsContact CD1-CD2 3.45Å; L55-L75 HydrophobicContact CD1-CG 4.23Å; I71-L75 HydrophobicContact CG2-CD1 4.02Å; I71-L75 HydrophobicContact CG2-CG 4.39Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.39Å; I71-L75 PolarHBondContact O-N 2.84Å; F72-L75 PolarHBondContact O-N 3.48Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.4Å; L75-H79 CarbonylContact O-C 3.54Å; L75-F83 HydrophobicContact CB-CD1 3.98Å; L75-F83 HydrophobicContact CB-CE1 4.06Å; L75-F83 HydrophobicContact CD1-CE1 4.37Å; L75-F83 HydrophobicContact CD2-CD1 4.03Å; L75-F83 HydrophobicContact CD2-CE1 4.29Å; L75-F83 HydrophobicContact CD2-CG 4.21Å; L75-F83 HydrophobicContact CG-CE1 4.49Å; L75-A171 HydrophobicContact CD1-CB 4.1Å
76A84.5Confident87.8Confident30 Ų3047.3 Ų47.325%0.24825%0.252CS..Hα-helixtrans-78.9-26.8-177.900000113.8F72 E73 K74 S80 Y85F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 2.74Å; E73-A76 CarbonylContact O-C 3.52Å; E73-A76 PolarHBondContact O-N 2.81Å; K74-A76 VanDerWaalsContact C-N 3.3Å; K74-A76 PolarHBondContact O-N 2.78Å; A76-S80 WeakPolarHBondContact O-CB 3.25Å; A76-Y85 HydrophobicContact CB-CE1 4.4Å
77T84.5Confident88.2Confident85 Ų8541.4 Ų41.452%0.52122%0.224SC..Hα-helixtrans-100.6-65.8179.8580000111.6E73 H79 S80E73-T77 PolarHBondContact O-N 3.37Å; E73-T77 PolarHBondContact O-OG1 2.8Å; T77-H79 VanDerWaalsContact C-N 3.32Å; T77-H79 PolarHBondContact O-N 2.99Å; T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 3.31Å; T77-S80 PolarHBondContact O-OG 2.63Å
78D81.3Confident88.5Confident100 Ų10039 Ų3954%0.53521%0.209SC..THydrogen-bonded Turntrans-76.3-24.6-164.8-55.7-3.2000112.1K74K74-D78 WeakPolarHBondContact O-CA 3.38Å; K74-D78 WeakPolarHBondContact O-CB 3.2Å; K74-D78 PolarHBondContact O-N 2.82Å
79H79.8Confident88.8Confident30 Ų3038.2 Ų38.214%0.13921%0.207CC..THydrogen-bonded Turntrans-114.816.6-179.9-65.7-86.9000112.9K74 L75 T77 D81 V82 F83K74-H79 PolarHBondContact O-N 2.81Å; L75-H79 CarbonylContact O-C 3.54Å; T77-H79 VanDerWaalsContact C-N 3.32Å; T77-H79 PolarHBondContact O-N 2.99Å; H79-D81 VanDerWaalsContact C-OD1 3.29Å; H79-D81 WeakPolarHBondContact CA-OD1 3.44Å; H79-D81 PolarHBondContact O-N 2.84Å; H79-D81 VanDerWaalsContact O-N 3.11Å; H79-V82 HydrophobicContact CB-CG2 4.07Å; H79-V82 PolarHBondContact O-N 3.15Å; H79-F83 HydrophobicContact CB-CB 4.38Å; H79-F83 WeakPolarHBondContact O-CB 3.45Å; H79-F83 PolarHBondContact O-N 3.34Å
80S82Confident89.1Confident44 Ų4436.7 Ų36.731%0.30820%0.196SC..THydrogen-bonded Turntrans-62.1-16.2178.456.60000114S12 A76 T77S12-S80 WeakPolarHBondContact CB-O 3.11Å; A76-S80 WeakPolarHBondContact O-CB 3.25Å; T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 3.31Å; T77-S80 PolarHBondContact O-OG 2.63Å
81D83.1Confident89.3Confident76 Ų7635.6 Ų35.641%0.40619%0.189SC..THydrogen-bonded Turntrans-75.5-25.1174.462.1-40.4000113.5R51 H79R51-D81 IonicContact CZ-OD2 2.73Å; R51-D81 IonicContact NH1-OD2 2.58Å; R51-D81 PolarHBondContact NH1-OD2 2.76Å; R51-D81 IonicContact NH2-OD1 3.23Å; R51-D81 IonicContact NH2-OD2 2.77Å; R51-D81 PolarHBondContact NH2-OD2 2.91Å; H79-D81 VanDerWaalsContact C-OD1 3.29Å; H79-D81 WeakPolarHBondContact CA-OD1 3.44Å; H79-D81 PolarHBondContact O-N 2.84Å; H79-D81 VanDerWaalsContact O-N 3.11Å
82V84.1Confident89.6Confident6 Ų634.8 Ų34.84%0.03619%0.185CC..THydrogen-bonded Turntrans-126.2-15.5-173.7-65.90000114.4C44 E48 H79C44-V82 WeakPolarHBondContact CA-O 3.39Å; C44-V82 PolarHBondContact SG-O 3.38Å; E48-V82 HydrophobicContact CB-CB 4.08Å; E48-V82 HydrophobicContact CB-CG1 3.91Å; E48-V82 HydrophobicContact CG-CB 4.44Å; E48-V82 HydrophobicContact CG-CG1 3.77Å; H79-V82 HydrophobicContact CB-CG2 4.07Å; H79-V82 PolarHBondContact O-N 3.15Å
83F90.8Very high89.8Confident1 Ų134.9 Ų34.90%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-125.8124.5-175.9-178.6-101.4000111.7S12 I43 C44 L52 L75 H79 Y85 I168 A171S12-F83 WeakPolarHBondContact CB-O 3.47Å; I43-F83 CarbonylContact O-C 3.49Å; I43-F83 WeakPolarHBondContact O-CA 3.23Å; I43-F83 WeakPolarHBondContact O-CD2 3.5Å; C44-F83 HydrophobicContact CB-CD2 4.49Å; L52-F83 HydrophobicContact CD1-CD2 4.2Å; L52-F83 HydrophobicContact CD2-CB 4.4Å; L52-F83 HydrophobicContact CD2-CD2 4.05Å; L52-F83 HydrophobicContact CD2-CG 4.37Å; L75-F83 HydrophobicContact CB-CD1 3.98Å; L75-F83 HydrophobicContact CB-CE1 4.06Å; L75-F83 HydrophobicContact CD1-CE1 4.37Å; L75-F83 HydrophobicContact CD2-CD1 4.03Å; L75-F83 HydrophobicContact CD2-CE1 4.29Å; L75-F83 HydrophobicContact CD2-CG 4.21Å; L75-F83 HydrophobicContact CG-CE1 4.49Å; H79-F83 HydrophobicContact CB-CB 4.38Å; H79-F83 WeakPolarHBondContact O-CB 3.45Å; H79-F83 PolarHBondContact O-N 3.34Å; F83-Y85 HydrophobicContact CE1-CD1 4.05Å; F83-I168 HydrophobicContact CD2-CD1 4.15Å; F83-I168 HydrophobicContact CE2-CD1 3.88Å; F83-A171 HydrophobicContact CE2-CB 3.75Å; F83-A171 HydrophobicContact CZ-CB 3.84Å
84G92.8Very high90.1Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-113.6163.516700000110.7I43I43-G84 PolarHBondContact N-O 2.93Å; I43-G84 PolarHBondContact O-N 3.32Å
85Y94.2Very high90.5Very high40 Ų4026.3 Ų26.316%0.15715%0.153CC..EExtended strand (participates in β ladder)trans-143.8153.7172.265.1-92.9000111.5S10 V41 F72 A76 F83 L87S10-Y85 VanDerWaalsContact CB-CE1 3.44Å; S10-Y85 WeakPolarHBondContact CB-O 3.43Å; S10-Y85 PolarHBondContact N-O 3.14Å; S10-Y85 PolarHBondContact OG-N 3.47Å; S10-Y85 PolarHBondContact OG-O 3.31Å; V41-Y85 CarbonylContact O-C 3.54Å; V41-Y85 WeakPolarHBondContact O-CA 3.23Å; V41-Y85 WeakPolarHBondContact O-CB 3.25Å; F72-Y85 HydrophobicContact CE2-CE1 4.15Å; F72-Y85 HydrophobicContact CE2-CE2 4.33Å; F72-Y85 HydrophobicContact CZ-CE1 4.03Å; F72-Y85 HydrophobicContact CZ-CE2 4.1Å; F72-Y85 AromaticContact CZ-CZ 3.63Å; A76-Y85 HydrophobicContact CB-CE1 4.4Å; F83-Y85 HydrophobicContact CE1-CD1 4.05Å; Y85-L87 HydrophobicContact CD2-CD1 4.09Å; Y85-L87 HydrophobicContact CD2-CD2 4.39Å; Y85-L87 HydrophobicContact CD2-CG 3.92Å; Y85-L87 HydrophobicContact CE2-CD1 3.76Å; Y85-L87 HydrophobicContact CE2-CG 4.12Å
86G94.8Very high90.9Very high0 Ų026.7 Ų26.70%016%0.155CC..EExtended strand (participates in β ladder)trans-123.9150168.600000110.3I8 M9 A40 V41I8-G86 CarbonylContact O-C 3.6Å; I8-G86 VanDerWaalsContact O-CA 3.25Å; I8-G86 WeakPolarHBondContact O-CA 3.23Å; M9-G86 WeakPolarHBondContact SD-CA 3.37Å; A40-G86 CarbonylContact C-O 3.56Å; A40-G86 VanDerWaalsContact CA-O 3.23Å; A40-G86 WeakPolarHBondContact CA-O 3.32Å; V41-G86 PolarHBondContact N-O 3.44Å; V41-G86 PolarHBondContact O-N 3.02Å
87L96Very high91.4Very high8 Ų831.9 Ų31.94%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-131.6133.6-178.4-60.1167.2000109.3L7 I8 V38 Y39 A40 Y85 C175 T179L7-L87 CarbonylContact C-O 3.47Å; L7-L87 WeakPolarHBondContact CA-O 3.49Å; I8-L87 HydrophobicContact CB-CB 4.37Å; I8-L87 PolarHBondContact N-O 2.84Å; I8-L87 PolarHBondContact O-N 2.79Å; V38-L87 HydrophobicContact CG1-CD2 4.27Å; Y39-L87 CarbonylContact O-C 3.59Å; Y39-L87 WeakPolarHBondContact O-CA 3.45Å; A40-L87 HydrophobicContact CB-CD2 3.69Å; Y85-L87 HydrophobicContact CD2-CD1 4.09Å; Y85-L87 HydrophobicContact CD2-CD2 4.39Å; Y85-L87 HydrophobicContact CD2-CG 3.92Å; Y85-L87 HydrophobicContact CE2-CD1 3.76Å; Y85-L87 HydrophobicContact CE2-CG 4.12Å; L87-C175 HydrophobicContact CD2-CB 4.22Å; L87-T179 HydrophobicContact CD1-CG2 4Å; L87-T179 WeakPolarHBondContact CD1-OG1 3.36Å
88K96Very high91.9Very high7 Ų728.5 Ų28.53%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-117.6107.6167.118074.7177.8-164.30107.9H5 K6 L7 V38 Y39 L90 A114 E117 L118H5-K88 PolarHBondContact CD2-NZ 2.77Å; K6-K88 CarbonylContact O-C 3.45Å; K6-K88 WeakPolarHBondContact O-CA 3.32Å; L7-K88 HydrophobicContact CB-CD 4.3Å; L7-K88 HydrophobicContact CD1-CB 4.46Å; L7-K88 HydrophobicContact CD1-CD 4.31Å; V38-K88 WeakPolarHBondContact CA-O 3.43Å; Y39-K88 PolarHBondContact N-O 3.19Å; Y39-K88 PolarHBondContact O-N 3.19Å; K88-L90 HydrophobicContact CD-CD2 4.48Å; K88-L90 HydrophobicContact CG-CD2 4.05Å; K88-L90 HydrophobicContact CG-CG 4.41Å; K88-A114 HydrophobicContact CG-CB 4.1Å; K88-E117 VanDerWaalsContact CE-OE2 3.23Å; K88-E117 WeakPolarHBondContact CE-OE2 3.44Å; K88-E117 IonicContact NZ-OE1 2.65Å; K88-E117 IonicContact NZ-OE2 2.58Å; K88-E117 PolarHBondContact NZ-OE2 3.39Å; K88-L118 HydrophobicContact CB-CD1 4.26Å; K88-L118 HydrophobicContact CB-CD2 4.02Å; K88-L118 HydrophobicContact CB-CG 4.08Å
89I96.2Very high92.6Very high13 Ų1326.2 Ų26.27%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-96.2122.6179.2-54.6172.7000107.6H5 K6 I8 P36 V38 T179H5-I89 CarbonylContact C-O 3.48Å; H5-I89 WeakPolarHBondContact CA-O 3.36Å; H5-I89 WeakPolarHBondContact CB-O 3.41Å; K6-I89 HydrophobicContact CB-CB 4.33Å; K6-I89 PolarHBondContact N-O 2.87Å; K6-I89 PolarHBondContact O-N 3.03Å; I8-I89 HydrophobicContact CD1-CD1 4.14Å; P36-I89 HydrophobicContact CB-CG2 3.85Å; P36-I89 HydrophobicContact CG-CG2 4.36Å; V38-I89 HydrophobicContact CG1-CG1 4.25Å; V38-I89 HydrophobicContact CG2-CG1 4.25Å; V38-I89 HydrophobicContact CG2-CG2 4.25Å; I89-T179 HydrophobicContact CD1-CG2 3.82Å; I89-T179 HydrophobicContact CG1-CG2 4.18Å
90L96.1Very high93.2Very high4 Ų428.6 Ų28.62%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-110.4114.9178.9-55.9168.8000108.4H5 P36 M37 Y39 K88 F94 I95 I110 A114H5-L90 HydrophobicContact CB-CD2 3.95Å; P36-L90 CarbonylContact C-O 3.43Å; P36-L90 WeakPolarHBondContact CA-O 2.99Å; P36-L90 WeakPolarHBondContact CB-O 3.37Å; M37-L90 HydrophobicContact CB-CB 4.4Å; M37-L90 HydrophobicContact CB-CD1 4.49Å; M37-L90 HydrophobicContact CE-CD1 3.44Å; M37-L90 VanDerWaalsContact CE-CD1 3.44Å; M37-L90 PolarHBondContact N-O 3.03Å; M37-L90 WeakPolarHBondContact O-CB 3.44Å; M37-L90 PolarHBondContact O-N 2.53Å; Y39-L90 HydrophobicContact CD2-CD1 4.44Å; K88-L90 HydrophobicContact CD-CD2 4.48Å; K88-L90 HydrophobicContact CG-CD2 4.05Å; K88-L90 HydrophobicContact CG-CG 4.41Å; L90-F94 HydrophobicContact CB-CD1 4.24Å; L90-F94 HydrophobicContact CD2-CD1 4.1Å; L90-F94 HydrophobicContact CD2-CE1 3.9Å; L90-I95 HydrophobicContact CB-CD1 4.31Å; L90-I95 HydrophobicContact CB-CG1 4.26Å; L90-I110 HydrophobicContact CD1-CG2 3.7Å; L90-A114 HydrophobicContact CD1-CB 4.08Å
91S95.8Very high93.7Very high26 Ų2628.5 Ų28.518%0.18216%0.155CC..  trans-68.2156-176.378.80000111.9D4 A93 F94 I95D4-S91 WeakPolarHBondContact O-CB 3.09Å; D4-S91 PolarHBondContact O-N 2.84Å; D4-S91 PolarHBondContact O-OG 3.25Å; S91-A93 PolarHBondContact O-N 2.88Å; S91-F94 PolarHBondContact O-N 2.95Å; S91-F94 WeakPolarHBondContact OG-CB 3.31Å; S91-F94 PolarHBondContact OG-N 3.17Å; S91-I95 WeakPolarHBondContact O-CG1 3.24Å; S91-I95 PolarHBondContact O-N 3.17Å
92A95.7Very high94Very high4 Ų433.5 Ų33.53%0.03317%0.168CC..Hα-helixtrans-60.2-36.4174.300000112I95 S96 S226 F227 R229A92-I95 PolarHBondContact O-N 3.44Å; A92-S96 WeakPolarHBondContact O-CB 3.16Å; A92-S96 PolarHBondContact O-N 3.3Å; A92-S96 PolarHBondContact O-OG 3.27Å; A92-S226 WeakPolarHBondContact CB-O 3.39Å; A92-F227 VanDerWaalsContact CB-O 3.32Å; A92-F227 WeakPolarHBondContact CB-O 3.46Å; A92-R229 HydrophobicContact CB-CG 3.62Å
93A95.4Very high94.3Very high34 Ų3439.2 Ų39.228%0.28120%0.203SC..Hα-helixtrans-62.3-45.617400000112.2S91 S96 K97 S226S91-A93 PolarHBondContact O-N 2.88Å; A93-S96 PolarHBondContact O-N 3.44Å; A93-K97 VanDerWaalsContact O-CB 3.28Å; A93-K97 WeakPolarHBondContact O-CB 3.38Å; A93-K97 PolarHBondContact O-N 3.15Å; A93-S226 PolarHBondContact N-O 3.24Å
94F95.5Very high93.9Very high44 Ų4446.1 Ų46.119%0.19323%0.233CC..Hα-helixtrans-61.8-48.2176.4172.2-99.2000111.9D4 H5 L90 S91 S96 K97 A98 I110D4-F94 HydrophobicContact CB-CB 3.93Å; D4-F94 HydrophobicContact CB-CD2 4.03Å; D4-F94 HydrophobicContact CB-CG 4.35Å; D4-F94 WeakPolarHBondContact O-CB 3.25Å; H5-F94 AromaticContact ND1-CE2 3.9Å; L90-F94 HydrophobicContact CB-CD1 4.24Å; L90-F94 HydrophobicContact CD2-CD1 4.1Å; L90-F94 HydrophobicContact CD2-CE1 3.9Å; S91-F94 PolarHBondContact O-N 2.95Å; S91-F94 WeakPolarHBondContact OG-CB 3.31Å; S91-F94 PolarHBondContact OG-N 3.17Å; F94-S96 VanDerWaalsContact C-N 3.28Å; F94-S96 PolarHBondContact O-N 2.81Å; F94-K97 PolarHBondContact O-N 2.89Å; F94-A98 WeakPolarHBondContact O-CB 3.45Å; F94-A98 PolarHBondContact O-N 3.37Å; F94-I110 HydrophobicContact CE1-CG2 4.07Å
95I95.9Very high93.9Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-59.9-43178.9-63.6165.4000110.1M37 L90 S91 A92 M99 L107 W232M37-I95 HydrophobicContact CB-CD1 3.7Å; L90-I95 HydrophobicContact CB-CD1 4.31Å; L90-I95 HydrophobicContact CB-CG1 4.26Å; S91-I95 WeakPolarHBondContact O-CG1 3.24Å; S91-I95 PolarHBondContact O-N 3.17Å; A92-I95 PolarHBondContact O-N 3.44Å; I95-M99 HydrophobicContact CG2-CG 4.46Å; I95-M99 HydrophobicContact CG2-SD 3.73Å; I95-M99 WeakPolarHBondContact O-CB 3.12Å; I95-M99 VanDerWaalsContact O-CG 3.28Å; I95-M99 WeakPolarHBondContact O-CG 3.37Å; I95-M99 PolarHBondContact O-N 3.49Å; I95-M99 VanDerWaalsContact O-N 3.08Å; I95-L107 HydrophobicContact CG2-CD1 4.14Å; I95-W232 HydrophobicContact CG2-CH2 4.07Å; I95-W232 HydrophobicContact CG2-CZ3 3.62Å
96S95.6Very high93.8Very high8 Ų851.2 Ų51.26%0.05626%0.258CS..Hα-helixtrans-62.2-51177.4-59.50000111.5A92 A93 F94 A98 M99 L100 R229 F230A92-S96 WeakPolarHBondContact O-CB 3.16Å; A92-S96 PolarHBondContact O-N 3.3Å; A92-S96 PolarHBondContact O-OG 3.27Å; A93-S96 PolarHBondContact O-N 3.44Å; F94-S96 VanDerWaalsContact C-N 3.28Å; F94-S96 PolarHBondContact O-N 2.81Å; S96-A98 PolarHBondContact O-N 2.96Å; S96-M99 PolarHBondContact O-N 3.06Å; S96-L100 VanDerWaalsContact O-CB 3.25Å; S96-L100 WeakPolarHBondContact O-CB 3.5Å; S96-L100 VanDerWaalsContact O-CG 3.31Å; S96-L100 WeakPolarHBondContact O-CG 2.83Å; S96-L100 PolarHBondContact O-N 2.94Å; S96-R229 VanDerWaalsContact OG-CA 3.3Å; S96-R229 WeakPolarHBondContact OG-CA 3.35Å; S96-F230 PolarHBondContact OG-N 3.18Å
97K94.6Very high93.7Very high139 Ų13952.4 Ų52.460%0.60426%0.264SS*.Hα-helixtrans-58.3-45.5179.5176.9-178.8173.8-177.40111.8D4 A93 F94 A101D4-K97 IonicContact OD2-NZ 3.08Å; A93-K97 VanDerWaalsContact O-CB 3.28Å; A93-K97 WeakPolarHBondContact O-CB 3.38Å; A93-K97 PolarHBondContact O-N 3.15Å; F94-K97 PolarHBondContact O-N 2.89Å; K97-A101 WeakPolarHBondContact O-CB 3.42Å; K97-A101 PolarHBondContact O-N 3.38Å
98A94.4Very high93.5Very high15 Ų1555.8 Ų55.812%0.12428%0.282CS..Hα-helixtrans-67-41.8-178.700000112.4F94 S96 Y105 I110F94-A98 WeakPolarHBondContact O-CB 3.45Å; F94-A98 PolarHBondContact O-N 3.37Å; S96-A98 PolarHBondContact O-N 2.96Å; A98-Y105 HydrophobicContact CB-CD1 4.24Å; A98-Y105 PolarHBondContact O-N 2.82Å; A98-I110 HydrophobicContact CB-CD1 3.77Å; A98-I110 HydrophobicContact CB-CG1 4.4Å
99M95.2Very high93.3Very high52 Ų5257.8 Ų57.826%0.25629%0.293SS..Hα-helixtrans-79.6-22-178.1-67.9-178.670.400114.1I95 S96 Y105 L107 I110 S231 W232I95-M99 HydrophobicContact CG2-CG 4.46Å; I95-M99 HydrophobicContact CG2-SD 3.73Å; I95-M99 WeakPolarHBondContact O-CB 3.12Å; I95-M99 VanDerWaalsContact O-CG 3.28Å; I95-M99 WeakPolarHBondContact O-CG 3.37Å; I95-M99 PolarHBondContact O-N 3.49Å; I95-M99 VanDerWaalsContact O-N 3.08Å; S96-M99 PolarHBondContact O-N 3.06Å; M99-Y105 WeakPolarHBondContact CA-O 3.1Å; M99-Y105 WeakPolarHBondContact CG-O 3.45Å; M99-L107 HydrophobicContact CE-CB 4.19Å; M99-L107 HydrophobicContact SD-CB 4.12Å; M99-L107 HydrophobicContact SD-CD1 4.31Å; M99-I110 HydrophobicContact CG-CD1 3.92Å; M99-S231 PolarHBondContact SD-OG 3.25Å; M99-S231 VanDerWaalsContact SD-OG 3.36Å; M99-W232 HydrophobicContact SD-CZ3 4.11Å
100L93.7Very high93.2Very high80 Ų8057.4 Ų57.442%0.41929%0.291SS..THydrogen-bonded Turntrans-105.47.3178.8-60.2174.5000113S96 F230S96-L100 VanDerWaalsContact O-CB 3.25Å; S96-L100 WeakPolarHBondContact O-CB 3.5Å; S96-L100 VanDerWaalsContact O-CG 3.31Å; S96-L100 WeakPolarHBondContact O-CG 2.83Å; S96-L100 PolarHBondContact O-N 2.94Å; L100-F230 HydrophobicContact CD1-CB 3.74Å
101A91.6Very high93.1Very high41 Ų4157.2 Ų57.234%0.33929%0.29SS..SBendtrans-68.8156.1173.600000111.2K97 V103 K104K97-A101 WeakPolarHBondContact O-CB 3.42Å; K97-A101 PolarHBondContact O-N 3.38Å; A101-V103 CarbonylContact O-C 3.46Å; A101-V103 PolarHBondContact O-N 2.85Å; A101-K104 PolarHBondContact O-N 3.14Å
102R89.8Confident92.9Very high181 Ų18157.3 Ų57.368%0.68329%0.288SS*.SBendtrans-49.3-45.2174-66.5-176-177.5-170.4-1.2112.4K104 E249R102-K104 PolarHBondContact O-N 2.64Å; R102-E249 IonicContact CZ-OE2 3.52Å; R102-E249 IonicContact NH1-OE2 3.86Å; R102-E249 IonicContact NH2-OE2 3.25Å; R102-E249 PolarHBondContact NH2-OE2 3.27Å
103V89.8Confident92.8Very high127 Ų12759.9 Ų59.977%0.7730%0.301SS*.SBendtrans-90.799.3168.9-176.70000107.6A101 Y105A101-V103 CarbonylContact O-C 3.46Å; A101-V103 PolarHBondContact O-N 2.85Å; V103-Y105 PolarHBondContact O-N 3.38Å
104K83.5Confident92.8Very high145 Ų14558.4 Ų58.463%0.6329%0.289SS*.  trans-60.9120.7-176.4-66.2-179.1-179.3176.30110.8A101 R102 E254A101-K104 PolarHBondContact O-N 3.14Å; R102-K104 PolarHBondContact O-N 2.64Å; K104-E254 WeakPolarHBondContact CE-OE1 3.38Å; K104-E254 IonicContact NZ-OE1 2.71Å; K104-E254 PolarHBondContact NZ-OE1 2.96Å
105Y92.1Very high92.7Very high75 Ų7556.3 Ų56.329%0.29428%0.279SS..  trans-114.7110.6174.5-170.6-115.1000109.2A98 M99 V103 D109 I110 D113A98-Y105 HydrophobicContact CB-CD1 4.24Å; A98-Y105 PolarHBondContact O-N 2.82Å; M99-Y105 WeakPolarHBondContact CA-O 3.1Å; M99-Y105 WeakPolarHBondContact CG-O 3.45Å; V103-Y105 PolarHBondContact O-N 3.38Å; Y105-D109 HydrophobicContact CD2-CB 3.91Å; Y105-D109 HydrophobicContact CE1-CB 4.23Å; Y105-D109 HydrophobicContact CE2-CB 3.29Å; Y105-D109 VanDerWaalsContact CZ-CB 3.46Å; Y105-D109 PolarHBondContact OH-O 2.88Å; Y105-I110 HydrophobicContact CD1-CB 4.5Å; Y105-I110 HydrophobicContact CD1-CD1 4.08Å; Y105-I110 HydrophobicContact CD1-CG1 3.29Å; Y105-I110 HydrophobicContact CE1-CB 4.03Å; Y105-I110 HydrophobicContact CE1-CD1 4.45Å; Y105-I110 HydrophobicContact CE1-CG1 3.24Å; Y105-I110 HydrophobicContact CG-CG1 4.47Å; Y105-I110 PolarHBondContact OH-N 3.03Å; Y105-D113 WeakPolarHBondContact OH-CB 3.4Å; Y105-D113 PolarHBondContact OH-OD2 3.48Å
106N92.3Very high92.6Very high73 Ų7357.1 Ų57.139%0.3928%0.283SS..  trans-79.4165-168.170.460.7000112.2N108 D109 I110N106-N108 VanDerWaalsContact C-N 3.27Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 WeakPolarHBondContact OD1-CA 3.34Å; N106-N108 VanDerWaalsContact OD1-CB 3.28Å; N106-N108 WeakPolarHBondContact OD1-CB 3.16Å; N106-N108 PolarHBondContact OD1-N 2.91Å; N106-D109 VanDerWaalsContact CG-OD2 3.24Å; N106-D109 PolarHBondContact ND2-OD2 3.17Å; N106-D109 PolarHBondContact O-N 2.84Å; N106-D109 PolarHBondContact OD1-N 2.79Å; N106-D109 PolarHBondContact OD1-OD2 3.21Å; N106-I110 WeakPolarHBondContact O-CG1 3.35Å; N106-I110 PolarHBondContact O-N 3.04Å; N106-I110 VanDerWaalsContact O-N 3.12Å
107L92.9Very high92.6Very high25 Ų2560 Ų6013%0.13130%0.296CS..Hα-helixtrans-64.1-29-177.5-170.163.5000113.5R30 M37 I95 M99 S111 W232R30-L107 HydrophobicContact CG-CD2 4.15Å; M37-L107 HydrophobicContact CE-CD1 3.84Å; M37-L107 HydrophobicContact SD-CD1 4.14Å; I95-L107 HydrophobicContact CG2-CD1 4.14Å; M99-L107 HydrophobicContact CE-CB 4.19Å; M99-L107 HydrophobicContact SD-CB 4.12Å; M99-L107 HydrophobicContact SD-CD1 4.31Å; L107-S111 VanDerWaalsContact O-CB 3.29Å; L107-S111 WeakPolarHBondContact O-CB 3.32Å; L107-S111 PolarHBondContact O-N 2.92Å; L107-S111 PolarHBondContact O-OG 2.82Å; L107-W232 HydrophobicContact CD1-CH2 4.35Å; L107-W232 HydrophobicContact CD2-CH2 3.95Å; L107-W232 HydrophobicContact CD2-CZ2 4.31Å
108N91.8Very high92.6Very high78 Ų7853.4 Ų53.442%0.41727%0.267SS..Hα-helixtrans-67.7-42.3176.3-65.1-37.2000111R30 N106 S111 H112R30-N108 PolarHBondContact NH2-OD1 2.91Å; N106-N108 VanDerWaalsContact C-N 3.27Å; N106-N108 PolarHBondContact O-N 3.31Å; N106-N108 WeakPolarHBondContact OD1-CA 3.34Å; N106-N108 VanDerWaalsContact OD1-CB 3.28Å; N106-N108 WeakPolarHBondContact OD1-CB 3.16Å; N106-N108 PolarHBondContact OD1-N 2.91Å; N108-S111 WeakPolarHBondContact O-CB 3.41Å; N108-S111 PolarHBondContact O-N 3.03Å; N108-H112 WeakPolarHBondContact O-CB 3.49Å; N108-H112 PolarHBondContact O-CD2 3.24Å; N108-H112 PolarHBondContact O-N 3.42Å; N108-H112 PolarHBondContact O-ND1 2.81Å
109D92.1Very high92.6Very high50 Ų5052.7 Ų52.727%0.26726%0.261SS..Hα-helixtrans-66.7-45.2178.3-66.5-46.8000111Y105 N106 S111 H112 D113 K146Y105-D109 HydrophobicContact CD2-CB 3.91Å; Y105-D109 HydrophobicContact CE1-CB 4.23Å; Y105-D109 HydrophobicContact CE2-CB 3.29Å; Y105-D109 VanDerWaalsContact CZ-CB 3.46Å; Y105-D109 PolarHBondContact OH-O 2.88Å; N106-D109 VanDerWaalsContact CG-OD2 3.24Å; N106-D109 PolarHBondContact ND2-OD2 3.17Å; N106-D109 PolarHBondContact O-N 2.84Å; N106-D109 PolarHBondContact OD1-N 2.79Å; N106-D109 PolarHBondContact OD1-OD2 3.21Å; D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 2.86Å; D109-H112 PolarHBondContact O-N 3.15Å; D109-D113 WeakPolarHBondContact O-CB 3.48Å; D109-D113 PolarHBondContact O-N 3.39Å; D109-K146 IonicContact OD1-NZ 2.71Å
110I93.7Very high92.5Very high5 Ų553.2 Ų53.23%0.02626%0.264CS..Hα-helixtrans-52.8-47.4172.4-63.7168.6000110.9M37 L90 F94 A98 M99 Y105 N106 A114M37-I110 HydrophobicContact CE-CG2 4.02Å; L90-I110 HydrophobicContact CD1-CG2 3.7Å; F94-I110 HydrophobicContact CE1-CG2 4.07Å; A98-I110 HydrophobicContact CB-CD1 3.77Å; A98-I110 HydrophobicContact CB-CG1 4.4Å; M99-I110 HydrophobicContact CG-CD1 3.92Å; Y105-I110 HydrophobicContact CD1-CB 4.5Å; Y105-I110 HydrophobicContact CD1-CD1 4.08Å; Y105-I110 HydrophobicContact CD1-CG1 3.29Å; Y105-I110 HydrophobicContact CE1-CB 4.03Å; Y105-I110 HydrophobicContact CE1-CD1 4.45Å; Y105-I110 HydrophobicContact CE1-CG1 3.24Å; Y105-I110 HydrophobicContact CG-CG1 4.47Å; Y105-I110 PolarHBondContact OH-N 3.03Å; N106-I110 WeakPolarHBondContact O-CG1 3.35Å; N106-I110 PolarHBondContact O-N 3.04Å; N106-I110 VanDerWaalsContact O-N 3.12Å; I110-A114 WeakPolarHBondContact O-CB 3.42Å; I110-A114 PolarHBondContact O-N 3.44Å
111S93.1Very high92.4Very high0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-61.5-48.2178.2-84.40000112.9R30 Y39 L107 N108 D109 A114 A115R30-S111 PolarHBondContact NH1-OG 3.24Å; Y39-S111 WeakPolarHBondContact OH-CB 3.43Å; Y39-S111 PolarHBondContact OH-OG 3.4Å; L107-S111 VanDerWaalsContact O-CB 3.29Å; L107-S111 WeakPolarHBondContact O-CB 3.32Å; L107-S111 PolarHBondContact O-N 2.92Å; L107-S111 PolarHBondContact O-OG 2.82Å; N108-S111 WeakPolarHBondContact O-CB 3.41Å; N108-S111 PolarHBondContact O-N 3.03Å; D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 2.86Å; S111-A114 PolarHBondContact O-N 3.02Å; S111-A115 PolarHBondContact O-N 3.33Å; S111-A115 VanDerWaalsContact O-N 3.14Å
112H92.3Very high92.4Very high28 Ų2848.6 Ų48.613%0.1323%0.234CC..Hα-helixtrans-64.9-42.1-178.7-64.2161.2000111.3N108 D109 A115 I116 Y143 K146N108-H112 WeakPolarHBondContact O-CB 3.49Å; N108-H112 PolarHBondContact O-CD2 3.24Å; N108-H112 PolarHBondContact O-N 3.42Å; N108-H112 PolarHBondContact O-ND1 2.81Å; D109-H112 PolarHBondContact O-N 3.15Å; H112-A115 PolarHBondContact O-N 3.4Å; H112-I116 VanDerWaalsContact O-CG1 3.25Å; H112-I116 WeakPolarHBondContact O-CG1 3.49Å; H112-I116 PolarHBondContact O-N 3.4Å; H112-Y143 HydrophobicContact CB-CD2 4.4Å; H112-Y143 HydrophobicContact CB-CE2 3.88Å; H112-Y143 AromaticContact CD2-CD2 3.26Å; H112-Y143 WeakPolarHBondContact CD2-CD2 3.41Å; H112-Y143 AromaticContact CD2-CE2 3.12Å; H112-Y143 WeakPolarHBondContact CD2-CE2 3.28Å; H112-Y143 AromaticContact CD2-CG 3.78Å; H112-Y143 AromaticContact CD2-CZ 3.51Å; H112-Y143 AromaticContact CG-CD2 3.72Å; H112-Y143 AromaticContact CG-CE2 3.58Å; H112-Y143 AromaticContact NE2-CD2 3.52Å; H112-Y143 AromaticContact NE2-CE2 3.89Å; H112-Y143 AromaticContact NE2-CG 3.64Å; H112-K146 HydrophobicContact CB-CD 4.11Å
113D93.4Very high92.5Very high57 Ų5743 Ų4331%0.30522%0.217SC..Hα-helixtrans-70.4-35.4-178.2-69.714.6000110.5Y105 D109 A115 I116 E117 K146Y105-D113 WeakPolarHBondContact OH-CB 3.4Å; Y105-D113 PolarHBondContact OH-OD2 3.48Å; D109-D113 WeakPolarHBondContact O-CB 3.48Å; D109-D113 PolarHBondContact O-N 3.39Å; D113-A115 PolarHBondContact O-N 2.9Å; D113-I116 PolarHBondContact O-N 2.95Å; D113-E117 WeakPolarHBondContact O-CG 3.36Å; D113-E117 PolarHBondContact O-N 3.23Å; D113-K146 IonicContact OD1-NZ 3.15Å; D113-K146 PolarHBondContact OD1-NZ 3.49Å
114A94.9Very high92.6Very high3 Ų345.2 Ų45.23%0.02522%0.217CC..Hα-helixtrans-61.2-41.9171.500000113Y39 K88 L90 I110 S111 L118Y39-A114 HydrophobicContact CD2-CB 3.86Å; Y39-A114 HydrophobicContact CE2-CB 4.39Å; Y39-A114 HydrophobicContact CG-CB 4Å; K88-A114 HydrophobicContact CG-CB 4.1Å; L90-A114 HydrophobicContact CD1-CB 4.08Å; I110-A114 WeakPolarHBondContact O-CB 3.42Å; I110-A114 PolarHBondContact O-N 3.44Å; S111-A114 PolarHBondContact O-N 3.02Å; A114-L118 WeakPolarHBondContact O-CG 3.35Å; A114-L118 PolarHBondContact O-N 3.22Å
115A94.7Very high92.8Very high0 Ų040.2 Ų40.20%020%0.197CC..Hα-helixtrans-68.4-40.4175.700000112.4I25 Y39 S111 H112 D113 L118 I119 Y143I25-A115 HydrophobicContact CG2-CB 4.1Å; Y39-A115 HydrophobicContact CD1-CB 4.26Å; Y39-A115 HydrophobicContact CE1-CB 4.25Å; S111-A115 PolarHBondContact O-N 3.33Å; S111-A115 VanDerWaalsContact O-N 3.14Å; H112-A115 PolarHBondContact O-N 3.4Å; D113-A115 PolarHBondContact O-N 2.9Å; A115-L118 PolarHBondContact O-N 2.65Å; A115-I119 WeakPolarHBondContact O-CG1 3.43Å; A115-I119 PolarHBondContact O-N 3.14Å; A115-I119 VanDerWaalsContact O-N 3.17Å; A115-Y143 WeakPolarHBondContact CB-OH 3.25Å
116I94.2Very high92.6Very high17 Ų1741.8 Ų41.89%0.08721%0.211CC..Hα-helixtrans-58.7-48.7174.8-73.2165.1000110.1H112 D113 L118 I119 E120 L147 R150 F151H112-I116 VanDerWaalsContact O-CG1 3.25Å; H112-I116 WeakPolarHBondContact O-CG1 3.49Å; H112-I116 PolarHBondContact O-N 3.4Å; D113-I116 PolarHBondContact O-N 2.95Å; I116-L118 VanDerWaalsContact C-N 3.3Å; I116-L118 PolarHBondContact O-N 3.32Å; I116-I119 PolarHBondContact O-N 2.82Å; I116-I119 VanDerWaalsContact O-N 3.13Å; I116-E120 HydrophobicContact CG2-CG 4.28Å; I116-E120 WeakPolarHBondContact O-CG 3.45Å; I116-E120 PolarHBondContact O-N 3.26Å; I116-L147 HydrophobicContact CD1-CD2 4.42Å; I116-L147 HydrophobicContact CG1-CD2 3.63Å; I116-R150 HydrophobicContact CG2-CG 4.14Å; I116-F151 HydrophobicContact CB-CE2 4.42Å; I116-F151 HydrophobicContact CG1-CE2 4.2Å; I116-F151 HydrophobicContact CG2-CE2 4.13Å; I116-F151 HydrophobicContact CG2-CZ 3.89Å
117E94.6Very high92.5Very high69 Ų6938.6 Ų38.632%0.32219%0.193SC..Hα-helixtrans-59.2-40.2178.7-77.6-177-159.100112.2K88 D113 I119 E120 V121K88-E117 VanDerWaalsContact CE-OE2 3.23Å; K88-E117 WeakPolarHBondContact CE-OE2 3.44Å; K88-E117 IonicContact NZ-OE1 2.65Å; K88-E117 IonicContact NZ-OE2 2.58Å; K88-E117 PolarHBondContact NZ-OE2 3.39Å; D113-E117 WeakPolarHBondContact O-CG 3.36Å; D113-E117 PolarHBondContact O-N 3.23Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 3.26Å; E117-E120 PolarHBondContact O-N 3.15Å; E117-V121 WeakPolarHBondContact O-CB 3.23Å; E117-V121 WeakPolarHBondContact O-CG2 3.14Å; E117-V121 PolarHBondContact O-N 3.38Å
118L94.7Very high92.5Very high0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-62.4-39.4176.7-74.6174.6000112.4L7 V41 K88 A114 A115 I116 A122L7-L118 HydrophobicContact CD1-CD2 3.73Å; V41-L118 HydrophobicContact CB-CB 4.16Å; V41-L118 HydrophobicContact CB-CD1 4.28Å; V41-L118 HydrophobicContact CG1-CB 4.05Å; V41-L118 HydrophobicContact CG1-CD1 4.45Å; V41-L118 HydrophobicContact CG1-CD2 4.01Å; V41-L118 HydrophobicContact CG1-CG 4.41Å; K88-L118 HydrophobicContact CB-CD1 4.26Å; K88-L118 HydrophobicContact CB-CD2 4.02Å; K88-L118 HydrophobicContact CB-CG 4.08Å; A114-L118 WeakPolarHBondContact O-CG 3.35Å; A114-L118 PolarHBondContact O-N 3.22Å; A115-L118 PolarHBondContact O-N 2.65Å; I116-L118 VanDerWaalsContact C-N 3.3Å; I116-L118 PolarHBondContact O-N 3.32Å; L118-A122 PolarHBondContact O-N 3.02Å; L118-A122 VanDerWaalsContact O-N 3.09Å
119I94.5Very high92.6Very high0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-66.2-47.3174.6-62166.4000110.1I25 A115 I116 E117 V121 A122 L123 V132 L147 F151 L154I25-I119 HydrophobicContact CD1-CD1 3.73Å; I25-I119 HydrophobicContact CD1-CG1 3.47Å; I25-I119 VanDerWaalsContact CD1-CG1 3.47Å; A115-I119 WeakPolarHBondContact O-CG1 3.43Å; A115-I119 PolarHBondContact O-N 3.14Å; A115-I119 VanDerWaalsContact O-N 3.17Å; I116-I119 PolarHBondContact O-N 2.82Å; I116-I119 VanDerWaalsContact O-N 3.13Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 3.26Å; I119-V121 PolarHBondContact O-N 2.87Å; I119-A122 WeakPolarHBondContact O-CB 3.4Å; I119-A122 PolarHBondContact O-N 3.27Å; I119-L123 HydrophobicContact CG2-CD1 4.12Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 WeakPolarHBondContact O-CG 3.44Å; I119-L123 PolarHBondContact O-N 3.11Å; I119-V132 HydrophobicContact CD1-CG1 4.11Å; I119-V132 HydrophobicContact CG1-CG1 4.42Å; I119-L147 HydrophobicContact CD1-CD2 4.15Å; I119-F151 HydrophobicContact CB-CE1 4.44Å; I119-F151 HydrophobicContact CB-CE2 4.04Å; I119-F151 HydrophobicContact CB-CZ 3.83Å; I119-F151 HydrophobicContact CD1-CD2 4.32Å; I119-F151 HydrophobicContact CD1-CE2 3.89Å; I119-F151 HydrophobicContact CG2-CD1 4.2Å; I119-F151 HydrophobicContact CG2-CD2 4.26Å; I119-F151 HydrophobicContact CG2-CE1 3.85Å; I119-F151 HydrophobicContact CG2-CE2 3.91Å; I119-F151 HydrophobicContact CG2-CG 4.39Å; I119-F151 HydrophobicContact CG2-CZ 3.68Å; I119-L154 HydrophobicContact CG2-CD1 3.84Å
120E93.8Very high92.6Very high64 Ų6439.7 Ų39.730%0.29920%0.199SC..Hα-helixtrans-58.3-39178.5-71.6178.6170.900111.9I116 E117 L123 K124 R150 F151I116-E120 HydrophobicContact CG2-CG 4.28Å; I116-E120 WeakPolarHBondContact O-CG 3.45Å; I116-E120 PolarHBondContact O-N 3.26Å; E117-E120 PolarHBondContact O-N 3.15Å; E120-L123 PolarHBondContact O-N 3.22Å; E120-K124 VanDerWaalsContact O-CB 3.23Å; E120-K124 WeakPolarHBondContact O-CB 3.29Å; E120-K124 PolarHBondContact O-N 3.45Å; E120-R150 IonicContact OE1-CZ 3.94Å; E120-R150 IonicContact OE1-NE 2.72Å; E120-R150 PolarHBondContact OE1-NE 3.38Å; E120-R150 VanDerWaalsContact OE1-NE 3.15Å; E120-R150 IonicContact OE1-NH2 2.66Å; E120-R150 PolarHBondContact OE1-NH2 2.91Å; E120-F151 HydrophobicContact CG-CE1 3.85Å; E120-F151 HydrophobicContact CG-CZ 3.77Å
121V91.4Very high92.7Very high24 Ų2442.1 Ų42.115%0.14521%0.21CC..Hα-helixtrans-69.9-39.4179.2171.40000111.2L7 M9 E117 I119 K124 N125L7-V121 HydrophobicContact CD1-CG2 4.18Å; L7-V121 HydrophobicContact CD2-CB 4.28Å; L7-V121 HydrophobicContact CD2-CG1 4.11Å; L7-V121 HydrophobicContact CD2-CG2 3.3Å; L7-V121 HydrophobicContact CG-CG2 4.3Å; M9-V121 HydrophobicContact CE-CG1 4.49Å; M9-V121 HydrophobicContact CG-CG1 3.59Å; M9-V121 HydrophobicContact SD-CG1 3.68Å; E117-V121 WeakPolarHBondContact O-CB 3.23Å; E117-V121 WeakPolarHBondContact O-CG2 3.14Å; E117-V121 PolarHBondContact O-N 3.38Å; I119-V121 PolarHBondContact O-N 2.87Å; V121-K124 PolarHBondContact O-N 3.48Å; V121-N125 PolarHBondContact O-N 3.21Å; V121-N125 VanDerWaalsContact O-N 3.14Å; V121-N125 PolarHBondContact O-ND2 3.19Å
122A91.3Very high92.8Very high0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-60-48.4172.900000110.9L23 L118 I119 K124 N125 I127L23-A122 HydrophobicContact CD1-CB 4.05Å; L118-A122 PolarHBondContact O-N 3.02Å; L118-A122 VanDerWaalsContact O-N 3.09Å; I119-A122 WeakPolarHBondContact O-CB 3.4Å; I119-A122 PolarHBondContact O-N 3.27Å; A122-K124 PolarHBondContact O-N 3.21Å; A122-N125 PolarHBondContact O-N 2.92Å; A122-N125 VanDerWaalsContact O-N 3.16Å; A122-I127 HydrophobicContact CB-CD1 4.37Å; A122-I127 WeakPolarHBondContact O-CB 3.41Å; A122-I127 PolarHBondContact O-N 3.35Å
123L92Very high93Very high62 Ų6242.5 Ų42.533%0.32521%0.21SC..Hα-helixtrans-61.8-42.3177.7-65.6172.9000112.6I119 E120 N125 D126 V129 F151 L154I119-L123 HydrophobicContact CG2-CD1 4.12Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 WeakPolarHBondContact O-CG 3.44Å; I119-L123 PolarHBondContact O-N 3.11Å; E120-L123 PolarHBondContact O-N 3.22Å; L123-N125 PolarHBondContact O-N 3.29Å; L123-D126 PolarHBondContact O-N 2.97Å; L123-V129 HydrophobicContact CD2-CB 4.01Å; L123-V129 HydrophobicContact CD2-CG2 3.7Å; L123-V129 HydrophobicContact CG-CG2 4.44Å; L123-F151 HydrophobicContact CD1-CD1 4.07Å; L123-F151 HydrophobicContact CD1-CE1 4.02Å; L123-L154 HydrophobicContact CD1-CD1 4.39Å
124K90.5Very high93.2Very high175 Ų17539.9 Ų39.976%0.76120%0.196SC*.Hα-helixtrans-64.4-22.9178.2-175.9176.9178.1-177.80112.8E120 V121 A122 D126E120-K124 VanDerWaalsContact O-CB 3.23Å; E120-K124 WeakPolarHBondContact O-CB 3.29Å; E120-K124 PolarHBondContact O-N 3.45Å; V121-K124 PolarHBondContact O-N 3.48Å; A122-K124 PolarHBondContact O-N 3.21Å; K124-D126 PolarHBondContact O-N 3.12Å
125N87.7Confident93.2Very high40 Ų4040.5 Ų40.521%0.21420%0.199CC..THydrogen-bonded Turntrans-89.323.4173.9-77-76.9000112.5R17 V121 A122 L123 I127R17-N125 WeakPolarHBondContact CG-O 3.26Å; R17-N125 PolarHBondContact NH2-OD1 3.45Å; V121-N125 PolarHBondContact O-N 3.21Å; V121-N125 VanDerWaalsContact O-N 3.14Å; V121-N125 PolarHBondContact O-ND2 3.19Å; A122-N125 PolarHBondContact O-N 2.92Å; A122-N125 VanDerWaalsContact O-N 3.16Å; L123-N125 PolarHBondContact O-N 3.29Å; N125-I127 HydrophobicContact CB-CD1 4.48Å; N125-I127 HydrophobicContact CB-CG1 4.45Å; N125-I127 PolarHBondContact O-N 2.92Å
126D89.2Confident93Very high108 Ų10841.1 Ų41.158%0.57820%0.203SC*.THydrogen-bonded Turntrans59.127.1177-52.8-55.5000114.1R17 G18 L123 K124R17-D126 IonicContact NH1-OD2 3.78Å; G18-D126 PolarHBondContact N-O 3Å; L123-D126 PolarHBondContact O-N 2.97Å; K124-D126 PolarHBondContact O-N 3.12Å
127I90.1Very high92.3Very high5 Ų544.4 Ų44.43%0.02622%0.224CC..  trans-83.8125.7173.8-58.4174.9000108.1C21 I43 A122 N125 V129C21-I127 HydrophobicContact CB-CG2 3.72Å; I43-I127 HydrophobicContact CD1-CD1 3.85Å; I43-I127 HydrophobicContact CG2-CD1 4.17Å; I43-I127 HydrophobicContact CG2-CG2 4.11Å; A122-I127 HydrophobicContact CB-CD1 4.37Å; A122-I127 WeakPolarHBondContact O-CB 3.41Å; A122-I127 PolarHBondContact O-N 3.35Å; N125-I127 HydrophobicContact CB-CD1 4.48Å; N125-I127 HydrophobicContact CB-CG1 4.45Å; N125-I127 PolarHBondContact O-N 2.92Å; I127-V129 HydrophobicContact CG2-CG2 4.34Å; I127-V129 PolarHBondContact O-N 2.87Å
128V92.7Very high91.6Very high72 Ų7242.1 Ų42.144%0.43622%0.218SC..EExtended strand (participates in β ladder)trans-82.2100.8178.4-177.70000108.1K19 S20 C21K19-V128 WeakPolarHBondContact O-CB 3.14Å; K19-V128 PolarHBondContact O-N 2.99Å; S20-V128 CarbonylContact C-O 3.46Å; S20-V128 WeakPolarHBondContact CA-O 3.34Å; C21-V128 PolarHBondContact N-O 2.94Å
129V94Very high91.2Very high14 Ų1446.3 Ų46.39%0.08525%0.246CC..EExtended strand (participates in β ladder)trans-86.4115.9-178-179.90000110L23 L123 I127 V132 L154L23-V129 HydrophobicContact CD1-CB 4.43Å; L23-V129 HydrophobicContact CD1-CG1 3.79Å; L23-V129 HydrophobicContact CD1-CG2 3.68Å; L23-V129 HydrophobicContact CG-CG1 3.85Å; L23-V129 HydrophobicContact CG-CG2 4.06Å; L123-V129 HydrophobicContact CD2-CB 4.01Å; L123-V129 HydrophobicContact CD2-CG2 3.7Å; L123-V129 HydrophobicContact CG-CG2 4.44Å; I127-V129 HydrophobicContact CG2-CG2 4.34Å; I127-V129 PolarHBondContact O-N 2.87Å; V129-V132 HydrophobicContact CG1-CG2 3.55Å; V129-L154 HydrophobicContact CB-CD2 3.94Å; V129-L154 HydrophobicContact CG1-CD1 4.23Å; V129-L154 HydrophobicContact CG1-CD2 4.01Å; V129-L154 VanDerWaalsContact O-CD2 3.31Å; V129-L154 WeakPolarHBondContact O-CD2 3.39Å
130E91.8Very high90.9Very high90 Ų9047.6 Ų47.642%0.42126%0.256SS..EExtended strand (participates in β ladder)trans-88.9-45174.7-71-178.4160.400111.7S20 C21 T46S20-E130 VanDerWaalsContact CB-CD 3.41Å; S20-E130 WeakPolarHBondContact CB-OE1 3.5Å; S20-E130 PolarHBondContact OG-OE1 3.28Å; C21-E130 PolarHBondContact O-N 3.32Å; T46-E130 VanDerWaalsContact CB-OE2 3.27Å; T46-E130 WeakPolarHBondContact CB-OE2 3.49Å; T46-E130 WeakPolarHBondContact CG2-OE2 3.28Å; T46-E130 PolarHBondContact OG1-OE2 2.91Å
131K95.2Very high90.7Very high56 Ų5652 Ų5224%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-143142.4-173.3-166.1156.2-171.7144.20112T22 L23 Y133 D155T22-K131 CarbonylContact C-O 3.37Å; T22-K131 WeakPolarHBondContact CA-O 3.07Å; T22-K131 HydrophobicContact CG2-CB 4.42Å; L23-K131 PolarHBondContact N-O 3Å; K131-Y133 HydrophobicContact CD-CE1 4.27Å; K131-Y133 HydrophobicContact CD-CE2 3.98Å; K131-Y133 VanDerWaalsContact CD-OH 3.3Å; K131-Y133 WeakPolarHBondContact CD-OH 3.43Å; K131-Y133 VanDerWaalsContact CE-CZ 3.41Å; K131-Y133 WeakPolarHBondContact CE-OH 3.25Å; K131-Y133 HydrophobicContact CG-CD2 4.45Å; K131-Y133 HydrophobicContact CG-CE1 4.48Å; K131-Y133 HydrophobicContact CG-CE2 3.89Å; K131-D155 CarbonylContact C-O 3.52Å; K131-D155 WeakPolarHBondContact CA-O 3.27Å; K131-D155 WeakPolarHBondContact CD-OD2 3.35Å; K131-D155 WeakPolarHBondContact CE-OD2 3.47Å; K131-D155 HydrophobicContact CG-CB 4.31Å; K131-D155 IonicContact NZ-OD2 3.33Å; K131-D155 PolarHBondContact NZ-OD2 3.3Å
132V96.8Very high90.5Very high0 Ų054 Ų540%029%0.291CS..EExtended strand (participates in β ladder)trans-125.2122.6177.9-172.20000109.5L23 I25 I119 V129 V134 L154 D155 I156 V157L23-V132 HydrophobicContact CB-CB 4.39Å; L23-V132 HydrophobicContact CB-CG1 4.1Å; L23-V132 HydrophobicContact CB-CG2 4.17Å; L23-V132 HydrophobicContact CD1-CG2 4.18Å; L23-V132 HydrophobicContact CG-CG2 4.44Å; I25-V132 HydrophobicContact CD1-CG1 4.01Å; I25-V132 HydrophobicContact CG1-CG1 4.48Å; I119-V132 HydrophobicContact CD1-CG1 4.11Å; I119-V132 HydrophobicContact CG1-CG1 4.42Å; V129-V132 HydrophobicContact CG1-CG2 3.55Å; V132-V134 HydrophobicContact CG1-CG2 3.8Å; V132-L154 HydrophobicContact CG2-CD1 4.19Å; V132-D155 PolarHBondContact N-O 3.22Å; V132-I156 HydrophobicContact CB-CG1 4.17Å; V132-I156 HydrophobicContact CB-CG2 4.45Å; V132-I156 HydrophobicContact CG2-CG1 4.36Å; V132-I156 WeakPolarHBondContact O-CA 3.41Å; V132-V157 PolarHBondContact O-N 3.14Å
133Y96.7Very high90.5Very high37 Ų3754.2 Ų54.215%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-104.9131.6171.4-62.9-78.2000109.7T22 L23 G24 I25 K131 V157 Y166 I168 V169T22-Y133 HydrophobicContact CG2-CD2 3.68Å; T22-Y133 HydrophobicContact CG2-CE2 3.59Å; L23-Y133 PolarHBondContact O-N 2.92Å; G24-Y133 CarbonylContact C-O 3.47Å; G24-Y133 VanDerWaalsContact CA-O 3.31Å; G24-Y133 WeakPolarHBondContact CA-O 3.34Å; I25-Y133 PolarHBondContact N-O 2.66Å; K131-Y133 HydrophobicContact CD-CE1 4.27Å; K131-Y133 HydrophobicContact CD-CE2 3.98Å; K131-Y133 VanDerWaalsContact CD-OH 3.3Å; K131-Y133 WeakPolarHBondContact CD-OH 3.43Å; K131-Y133 VanDerWaalsContact CE-CZ 3.41Å; K131-Y133 WeakPolarHBondContact CE-OH 3.25Å; K131-Y133 HydrophobicContact CG-CD2 4.45Å; K131-Y133 HydrophobicContact CG-CE1 4.48Å; K131-Y133 HydrophobicContact CG-CE2 3.89Å; Y133-V157 WeakPolarHBondContact CA-O 3.35Å; Y133-V157 HydrophobicContact CD1-CB 3.77Å; Y133-V157 HydrophobicContact CD1-CG1 4.11Å; Y133-V157 HydrophobicContact CD1-CG2 4.39Å; Y133-V157 HydrophobicContact CE1-CB 4.03Å; Y133-V157 HydrophobicContact CE1-CG1 4.32Å; Y133-V157 HydrophobicContact CE1-CG2 4.17Å; Y133-Y166 AromaticContact CD1-CD1 3.84Å; Y133-Y166 HydrophobicContact CD1-CD1 3.84Å; Y133-Y166 AromaticContact CD1-CD2 3.63Å; Y133-Y166 HydrophobicContact CD1-CD2 3.63Å; Y133-Y166 AromaticContact CD1-CE1 3.73Å; Y133-Y166 HydrophobicContact CD1-CE1 3.73Å; Y133-Y166 AromaticContact CD1-CE2 3.49Å; Y133-Y166 HydrophobicContact CD1-CE2 3.49Å; Y133-Y166 VanDerWaalsContact CD1-CE2 3.49Å; Y133-Y166 AromaticContact CD1-CG 3.79Å; Y133-Y166 HydrophobicContact CD1-CG 3.79Å; Y133-Y166 AromaticContact CD1-CZ 3.54Å; Y133-Y166 HydrophobicContact CD2-CG 4.47Å; Y133-Y166 AromaticContact CE1-CD1 3.69Å; Y133-Y166 HydrophobicContact CE1-CD1 3.69Å; Y133-Y166 HydrophobicContact CE1-CD2 4.26Å; Y133-Y166 AromaticContact CE1-CE1 3.31Å; Y133-Y166 HydrophobicContact CE1-CE1 3.31Å; Y133-Y166 AromaticContact CE1-CE2 3.93Å; Y133-Y166 HydrophobicContact CE1-CE2 3.93Å; Y133-Y166 HydrophobicContact CE1-CG 4.15Å; Y133-Y166 AromaticContact CE1-CZ 3.44Å; Y133-Y166 VanDerWaalsContact CE1-CZ 3.44Å; Y133-Y166 HydrophobicContact CE2-CD1 4.39Å; Y133-Y166 HydrophobicContact CG-CD1 4.26Å; Y133-Y166 AromaticContact CG-CD2 4Å; Y133-Y166 HydrophobicContact CG-CD2 4Å; Y133-Y166 HydrophobicContact CG-CE2 4.32Å; Y133-Y166 AromaticContact CG-CG 3.96Å; Y133-Y166 HydrophobicContact CG-CG 3.96Å; Y133-Y166 AromaticContact CZ-CD1 3.95Å; Y133-Y166 AromaticContact CZ-CE1 3.86Å; Y133-I168 HydrophobicContact CD2-CG2 3.96Å; Y133-V169 VanDerWaalsContact CB-CG2 3.42Å
134V96Very high90.4Very high1 Ų152.3 Ų52.31%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-130.5129.1-177.4-171.60000110I25 V132 Y143 L147 I156 V157 V158 S159I25-V134 HydrophobicContact CB-CB 4.5Å; I25-V134 HydrophobicContact CB-CG1 4.18Å; I25-V134 HydrophobicContact CB-CG2 4.21Å; I25-V134 HydrophobicContact CD1-CG2 4.22Å; I25-V134 HydrophobicContact CG2-CG1 4.33Å; V132-V134 HydrophobicContact CG1-CG2 3.8Å; V134-Y143 HydrophobicContact CG1-CD1 4.47Å; V134-Y143 HydrophobicContact CG1-CE1 3.56Å; V134-L147 HydrophobicContact CG2-CD1 4.02Å; V134-I156 HydrophobicContact CG2-CG2 4.49Å; V134-V157 PolarHBondContact N-O 3.27Å; V134-V158 HydrophobicContact CB-CG2 4.21Å; V134-V158 WeakPolarHBondContact O-CA 3.42Å; V134-S159 PolarHBondContact O-N 3.21Å; V134-S159 VanDerWaalsContact O-N 3.14Å
135D94.4Very high90.5Very high16 Ų1652.2 Ų52.29%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-76.8145.6168.6-162.840000111I25 K161 A162 V169I25-D135 PolarHBondContact O-N 2.86Å; D135-K161 WeakPolarHBondContact OD1-CA 3.42Å; D135-K161 PolarHBondContact OD1-N 3.13Å; D135-A162 HydrophobicContact CB-CB 3.91Å; D135-A162 PolarHBondContact OD1-N 3.43Å; D135-V169 HydrophobicContact CB-CG1 4.08Å
136T91.4Very high90.7Very high13 Ų1353.6 Ų53.68%0.0828%0.284CS..  trans-139.9142.3175-167.40000112.3G138 A140 V158 S159 K160T136-G138 PolarHBondContact OG1-N 3.3Å; T136-G138 VanDerWaalsContact OG1-N 3.11Å; T136-A140 HydrophobicContact CG2-CB 3.95Å; T136-V158 HydrophobicContact CG2-CG1 3.7Å; T136-S159 PolarHBondContact N-O 2.87Å; T136-K160 HydrophobicContact CG2-CG 4.13Å
137V79.4Confident90.8Very high87 Ų8748.4 Ų48.453%0.52726%0.257SS..SBendtrans-86.5-14.5167.3-63.50000112.7
138G80.5Confident90.9Very high20 Ų2050.6 Ų50.621%0.20627%0.273CS..SBendtrans-106.2-164.5-171.400000114.6T136 A140 K160T136-G138 PolarHBondContact OG1-N 3.3Å; T136-G138 VanDerWaalsContact OG1-N 3.11Å; G138-A140 PolarHBondContact O-N 2.7Å; G138-K160 WeakPolarHBondContact O-CE 3.32Å
139P85Confident91Very high89 Ų8952.4 Ų52.458%0.57828%0.284SS*.  trans-66.1113.4169.9-13.428.3000109.6E141 S142P139-E141 PolarHBondContact O-N 3.11Å; P139-S142 PolarHBondContact O-OG 3.21Å
140A88.6Confident91Very high26 Ų2658.3 Ų58.322%0.21530%0.304CS..Hα-helixtrans-61-32.9-177.900000112.7T136 G138 Y143 A144 V158T136-A140 HydrophobicContact CG2-CB 3.95Å; G138-A140 PolarHBondContact O-N 2.7Å; A140-Y143 PolarHBondContact O-N 3.45Å; A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 2.74Å; A140-V158 HydrophobicContact CB-CB 4.35Å; A140-V158 HydrophobicContact CB-CG1 4.06Å
141E89.5Confident91.1Very high158 Ų15854.7 Ų54.774%0.73829%0.288SS*.Hα-helixtrans-65.4-43.7-176-67.8162.8-168.300113.5P139 Y143 R145P139-E141 PolarHBondContact O-N 3.11Å; E141-Y143 VanDerWaalsContact C-N 3.35Å; E141-R145 VanDerWaalsContact O-CB 3.31Å; E141-R145 WeakPolarHBondContact O-CB 3.32Å; E141-R145 PolarHBondContact O-N 3.22Å
142S87.6Confident90.9Very high64 Ų6457 Ų5745%0.44831%0.308SS..Hα-helixtrans-69.2-39.2179.659.60000110.8P139 R145 K146P139-S142 PolarHBondContact O-OG 3.21Å; S142-R145 PolarHBondContact O-N 3.42Å; S142-K146 PolarHBondContact O-N 3.33Å
143Y90.7Very high90.6Very high5 Ų565 Ų652%0.0235%0.35CS..Hα-helixtrans-69.7-46178.7-171.8-161.3000111.8H112 A115 V134 A140 E141 R145 K146 L147 V158H112-Y143 HydrophobicContact CB-CD2 4.4Å; H112-Y143 HydrophobicContact CB-CE2 3.88Å; H112-Y143 AromaticContact CD2-CD2 3.26Å; H112-Y143 WeakPolarHBondContact CD2-CD2 3.41Å; H112-Y143 AromaticContact CD2-CE2 3.12Å; H112-Y143 WeakPolarHBondContact CD2-CE2 3.28Å; H112-Y143 AromaticContact CD2-CG 3.78Å; H112-Y143 AromaticContact CD2-CZ 3.51Å; H112-Y143 AromaticContact CG-CD2 3.72Å; H112-Y143 AromaticContact CG-CE2 3.58Å; H112-Y143 AromaticContact NE2-CD2 3.52Å; H112-Y143 AromaticContact NE2-CE2 3.89Å; H112-Y143 AromaticContact NE2-CG 3.64Å; A115-Y143 WeakPolarHBondContact CB-OH 3.25Å; V134-Y143 HydrophobicContact CG1-CD1 4.47Å; V134-Y143 HydrophobicContact CG1-CE1 3.56Å; A140-Y143 PolarHBondContact O-N 3.45Å; E141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-R145 VanDerWaalsContact C-N 3.3Å; Y143-R145 PolarHBondContact O-N 3.23Å; Y143-K146 PolarHBondContact O-N 3.05Å; Y143-K146 VanDerWaalsContact O-N 3.15Å; Y143-L147 HydrophobicContact CD2-CD1 4Å; Y143-L147 HydrophobicContact CD2-CG 3.99Å; Y143-L147 HydrophobicContact CE2-CD1 3.71Å; Y143-L147 HydrophobicContact CE2-CD2 4.1Å; Y143-L147 HydrophobicContact CE2-CG 3.78Å; Y143-L147 PolarHBondContact O-N 2.99Å; Y143-V158 HydrophobicContact CD1-CG1 3.69Å; Y143-V158 HydrophobicContact CE1-CG1 4.43Å; Y143-V158 HydrophobicContact CG-CG1 4.34Å
144A91.2Very high90.4Very high22 Ų2264.6 Ų64.618%0.18235%0.35CS..Hα-helixtrans-55.9-45.7173.300000110.9A140 K146 L147 S148 V158A140-A144 WeakPolarHBondContact O-CB 3.34Å; A140-A144 PolarHBondContact O-N 2.74Å; A144-K146 PolarHBondContact O-N 3.49Å; A144-L147 PolarHBondContact O-N 3.49Å; A144-S148 WeakPolarHBondContact O-CB 3.2Å; A144-S148 PolarHBondContact O-N 3.35Å; A144-S148 PolarHBondContact O-OG 2.9Å; A144-S148 VanDerWaalsContact O-OG 3.08Å; A144-V158 HydrophobicContact CB-CB 4.05Å; A144-V158 HydrophobicContact CB-CG2 3.73Å
145R91.8Very high90.4Very high174 Ų17468.4 Ų68.466%0.65737%0.37SS*.Hα-helixtrans-60-43.6177-169.3-174-55.3171.53.7112.4E141 S142 Y143 L147 T149E141-R145 VanDerWaalsContact O-CB 3.31Å; E141-R145 WeakPolarHBondContact O-CB 3.32Å; E141-R145 PolarHBondContact O-N 3.22Å; S142-R145 PolarHBondContact O-N 3.42Å; Y143-R145 VanDerWaalsContact C-N 3.3Å; Y143-R145 PolarHBondContact O-N 3.23Å; R145-L147 VanDerWaalsContact C-N 3.33Å; R145-L147 PolarHBondContact O-N 2.89Å; R145-T149 WeakPolarHBondContact O-CB 3.15Å; R145-T149 PolarHBondContact O-N 2.9Å; R145-T149 PolarHBondContact O-OG1 2.71Å
146K91.5Very high90.4Very high68 Ų6868.4 Ų68.430%0.29637%0.37SS..Hα-helixtrans-60.1-45.4177.2-168.6177.9176.7-171.20110.3D109 H112 D113 S142 Y143 A144 R150D109-K146 IonicContact OD1-NZ 2.71Å; H112-K146 HydrophobicContact CB-CD 4.11Å; D113-K146 IonicContact OD1-NZ 3.15Å; D113-K146 PolarHBondContact OD1-NZ 3.49Å; S142-K146 PolarHBondContact O-N 3.33Å; Y143-K146 PolarHBondContact O-N 3.05Å; Y143-K146 VanDerWaalsContact O-N 3.15Å; A144-K146 PolarHBondContact O-N 3.49Å; K146-R150 PolarHBondContact O-N 3.12Å
147L92.8Very high90.6Very high0 Ų069.5 Ų69.50%038%0.377CS..Hα-helixtrans-67.2-48.8178.6-69.8174.9000112.8I116 I119 V134 Y143 A144 R145 T149 R150 F151 I156 V158I116-L147 HydrophobicContact CD1-CD2 4.42Å; I116-L147 HydrophobicContact CG1-CD2 3.63Å; I119-L147 HydrophobicContact CD1-CD2 4.15Å; V134-L147 HydrophobicContact CG2-CD1 4.02Å; Y143-L147 HydrophobicContact CD2-CD1 4Å; Y143-L147 HydrophobicContact CD2-CG 3.99Å; Y143-L147 HydrophobicContact CE2-CD1 3.71Å; Y143-L147 HydrophobicContact CE2-CD2 4.1Å; Y143-L147 HydrophobicContact CE2-CG 3.78Å; Y143-L147 PolarHBondContact O-N 2.99Å; A144-L147 PolarHBondContact O-N 3.49Å; R145-L147 VanDerWaalsContact C-N 3.33Å; R145-L147 PolarHBondContact O-N 2.89Å; L147-T149 VanDerWaalsContact C-N 3.27Å; L147-T149 PolarHBondContact O-N 3.49Å; L147-R150 PolarHBondContact O-N 3.46Å; L147-R150 VanDerWaalsContact O-N 3.09Å; L147-F151 HydrophobicContact CD2-CE2 4.39Å; L147-F151 WeakPolarHBondContact O-CD2 3.26Å; L147-F151 PolarHBondContact O-N 2.92Å; L147-I156 HydrophobicContact CB-CD1 3.8Å; L147-I156 HydrophobicContact CB-CG2 4.06Å; L147-I156 HydrophobicContact CD1-CG2 3.88Å; L147-V158 HydrophobicContact CD1-CG2 3.88Å
148S92.1Very high91.3Very high51 Ų5166.2 Ų66.236%0.35736%0.357SS..Hα-helixtrans-64.3-30.8178.7-58.60000112.7A144 F151 P152A144-S148 WeakPolarHBondContact O-CB 3.2Å; A144-S148 PolarHBondContact O-N 3.35Å; A144-S148 PolarHBondContact O-OG 2.9Å; A144-S148 VanDerWaalsContact O-OG 3.08Å; S148-F151 CarbonylContact O-C 3.58Å; S148-P152 VanDerWaalsContact O-CA 3.25Å; S148-P152 WeakPolarHBondContact O-CA 3.3Å
149T93.5Very high91.9Very high109 Ų10966.4 Ų66.467%0.66936%0.355SS*.Hα-helixtrans-67.3-39.8173.3-560000111.1R145 L147R145-T149 WeakPolarHBondContact O-CB 3.15Å; R145-T149 PolarHBondContact O-N 2.9Å; R145-T149 PolarHBondContact O-OG1 2.71Å; L147-T149 VanDerWaalsContact C-N 3.27Å; L147-T149 PolarHBondContact O-N 3.49Å
150R93.7Very high92.3Very high138 Ų13868.3 Ų68.352%0.52135%0.354SS..Hα-helixtrans-74.2-35.7179.4-174.467.5-175.9107-5.7112.4I116 E120 K146 L147I116-R150 HydrophobicContact CG2-CG 4.14Å; E120-R150 IonicContact OE1-CZ 3.94Å; E120-R150 IonicContact OE1-NE 2.72Å; E120-R150 PolarHBondContact OE1-NE 3.38Å; E120-R150 VanDerWaalsContact OE1-NE 3.15Å; E120-R150 IonicContact OE1-NH2 2.66Å; E120-R150 PolarHBondContact OE1-NH2 2.91Å; K146-R150 PolarHBondContact O-N 3.12Å; L147-R150 PolarHBondContact O-N 3.46Å; L147-R150 VanDerWaalsContact O-N 3.09Å
151F94.1Very high92.2Very high15 Ų1573.8 Ų73.87%0.06637%0.373CS..  trans-127.571.6-176.2-52.5-72.8000111.2I116 I119 E120 L123 L147 S148 L153 L154 I156I116-F151 HydrophobicContact CB-CE2 4.42Å; I116-F151 HydrophobicContact CG1-CE2 4.2Å; I116-F151 HydrophobicContact CG2-CE2 4.13Å; I116-F151 HydrophobicContact CG2-CZ 3.89Å; I119-F151 HydrophobicContact CB-CE1 4.44Å; I119-F151 HydrophobicContact CB-CE2 4.04Å; I119-F151 HydrophobicContact CB-CZ 3.83Å; I119-F151 HydrophobicContact CD1-CD2 4.32Å; I119-F151 HydrophobicContact CD1-CE2 3.89Å; I119-F151 HydrophobicContact CG2-CD1 4.2Å; I119-F151 HydrophobicContact CG2-CD2 4.26Å; I119-F151 HydrophobicContact CG2-CE1 3.85Å; I119-F151 HydrophobicContact CG2-CE2 3.91Å; I119-F151 HydrophobicContact CG2-CG 4.39Å; I119-F151 HydrophobicContact CG2-CZ 3.68Å; E120-F151 HydrophobicContact CG-CE1 3.85Å; E120-F151 HydrophobicContact CG-CZ 3.77Å; L123-F151 HydrophobicContact CD1-CD1 4.07Å; L123-F151 HydrophobicContact CD1-CE1 4.02Å; L147-F151 HydrophobicContact CD2-CE2 4.39Å; L147-F151 WeakPolarHBondContact O-CD2 3.26Å; L147-F151 PolarHBondContact O-N 2.92Å; S148-F151 CarbonylContact O-C 3.58Å; F151-L153 PolarHBondContact O-N 3.36Å; F151-L153 VanDerWaalsContact O-N 3.12Å; F151-L154 HydrophobicContact CB-CB 4.2Å; F151-L154 HydrophobicContact CB-CD1 3.76Å; F151-L154 HydrophobicContact CB-CG 3.95Å; F151-L154 HydrophobicContact CD1-CD1 4.23Å; F151-L154 HydrophobicContact CG-CD1 4.02Å; F151-L154 PolarHBondContact O-N 3.01Å; F151-I156 HydrophobicContact CB-CD1 3.98Å; F151-I156 HydrophobicContact CD2-CD1 4.09Å; F151-I156 HydrophobicContact CG-CD1 4.48Å
152P92.2Very high92.3Very high104 Ų10466.2 Ų66.268%0.67534%0.338SS*.THydrogen-bonded Turntrans-67.4-15.2-173.126.4-35.5000114.5S148S148-P152 VanDerWaalsContact O-CA 3.25Å; S148-P152 WeakPolarHBondContact O-CA 3.3Å
153L90.9Very high92.3Very high169 Ų16963.4 Ų63.489%0.88532%0.318SS*.THydrogen-bonded Turntrans-94.5-8.1-179-60.8177.1000113.6F151F151-L153 PolarHBondContact O-N 3.36Å; F151-L153 VanDerWaalsContact O-N 3.12Å
154L92.2Very high92.1Very high28 Ų2865.6 Ų65.615%0.14733%0.334CS..SBendtrans-97.5139.9-177.3-59.5-175000111I119 L123 V129 V132 F151 I156I119-L154 HydrophobicContact CG2-CD1 3.84Å; L123-L154 HydrophobicContact CD1-CD1 4.39Å; V129-L154 HydrophobicContact CB-CD2 3.94Å; V129-L154 HydrophobicContact CG1-CD1 4.23Å; V129-L154 HydrophobicContact CG1-CD2 4.01Å; V129-L154 VanDerWaalsContact O-CD2 3.31Å; V129-L154 WeakPolarHBondContact O-CD2 3.39Å; V132-L154 HydrophobicContact CG2-CD1 4.19Å; F151-L154 HydrophobicContact CB-CB 4.2Å; F151-L154 HydrophobicContact CB-CD1 3.76Å; F151-L154 HydrophobicContact CB-CG 3.95Å; F151-L154 HydrophobicContact CD1-CD1 4.23Å; F151-L154 HydrophobicContact CG-CD1 4.02Å; F151-L154 PolarHBondContact O-N 3.01Å; L154-I156 HydrophobicContact CB-CD1 4.15Å; L154-I156 HydrophobicContact CB-CG1 3.86Å; L154-I156 PolarHBondContact O-N 2.99Å
155D94.5Very high92Very high80 Ų8069.1 Ų69.143%0.42835%0.349SS..EExtended strand (participates in β ladder)trans-78.1103167-177.914.1000109.1K131 V132K131-D155 CarbonylContact C-O 3.52Å; K131-D155 WeakPolarHBondContact CA-O 3.27Å; K131-D155 WeakPolarHBondContact CD-OD2 3.35Å; K131-D155 WeakPolarHBondContact CE-OD2 3.47Å; K131-D155 HydrophobicContact CG-CB 4.31Å; K131-D155 IonicContact NZ-OD2 3.33Å; K131-D155 PolarHBondContact NZ-OD2 3.3Å; V132-D155 PolarHBondContact N-O 3.22Å
156I95.4Very high92Very high17 Ų1764 Ų649%0.08733%0.33CS..EExtended strand (participates in β ladder)trans-110.1120.4-176.4-54.7-174.2000110V132 V134 L147 F151 L154 V158V132-I156 HydrophobicContact CB-CG1 4.17Å; V132-I156 HydrophobicContact CB-CG2 4.45Å; V132-I156 HydrophobicContact CG2-CG1 4.36Å; V132-I156 WeakPolarHBondContact O-CA 3.41Å; V134-I156 HydrophobicContact CG2-CG2 4.49Å; L147-I156 HydrophobicContact CB-CD1 3.8Å; L147-I156 HydrophobicContact CB-CG2 4.06Å; L147-I156 HydrophobicContact CD1-CG2 3.88Å; F151-I156 HydrophobicContact CB-CD1 3.98Å; F151-I156 HydrophobicContact CD2-CD1 4.09Å; F151-I156 HydrophobicContact CG-CD1 4.48Å; L154-I156 HydrophobicContact CB-CD1 4.15Å; L154-I156 HydrophobicContact CB-CG1 3.86Å; L154-I156 PolarHBondContact O-N 2.99Å; I156-V158 HydrophobicContact CG2-CG2 4.13Å
157V95.2Very high92Very high36 Ų3661.4 Ų61.422%0.21832%0.32CS..EExtended strand (participates in β ladder)trans-113.2111.6176.2-179.50000108.9V132 Y133 V134V132-V157 PolarHBondContact O-N 3.14Å; Y133-V157 WeakPolarHBondContact CA-O 3.35Å; Y133-V157 HydrophobicContact CD1-CB 3.77Å; Y133-V157 HydrophobicContact CD1-CG1 4.11Å; Y133-V157 HydrophobicContact CD1-CG2 4.39Å; Y133-V157 HydrophobicContact CE1-CB 4.03Å; Y133-V157 HydrophobicContact CE1-CG1 4.32Å; Y133-V157 HydrophobicContact CE1-CG2 4.17Å; V134-V157 PolarHBondContact N-O 3.27Å
158V94.9Very high92Very high17 Ų1761.4 Ų61.410%0.10332%0.321CS..EExtended strand (participates in β ladder)trans-102.2125.9171.8-172.80000108.2V134 T136 A140 Y143 A144 L147 I156V134-V158 HydrophobicContact CB-CG2 4.21Å; V134-V158 WeakPolarHBondContact O-CA 3.42Å; T136-V158 HydrophobicContact CG2-CG1 3.7Å; A140-V158 HydrophobicContact CB-CB 4.35Å; A140-V158 HydrophobicContact CB-CG1 4.06Å; Y143-V158 HydrophobicContact CD1-CG1 3.69Å; Y143-V158 HydrophobicContact CE1-CG1 4.43Å; Y143-V158 HydrophobicContact CG-CG1 4.34Å; A144-V158 HydrophobicContact CB-CB 4.05Å; A144-V158 HydrophobicContact CB-CG2 3.73Å; L147-V158 HydrophobicContact CD1-CG2 3.88Å; I156-V158 HydrophobicContact CG2-CG2 4.13Å
159S93.4Very high92.1Very high24 Ų2459 Ų5917%0.16830%0.304CS..EExtended strand (participates in β ladder)trans-144.3159176.667.90000111.7V134 T136 A162V134-S159 PolarHBondContact O-N 3.21Å; V134-S159 VanDerWaalsContact O-N 3.14Å; T136-S159 PolarHBondContact N-O 2.87Å; S159-A162 WeakPolarHBondContact OG-CB 3.25Å
160K91.6Very high92Very high129 Ų12953.8 Ų53.856%0.56127%0.272SS*.THydrogen-bonded Turntrans-80.4139.3173.3-65.3-176.1176.7-179.10109.1T136 G138 A162T136-K160 HydrophobicContact CG2-CG 4.13Å; G138-K160 WeakPolarHBondContact O-CE 3.32Å; K160-A162 PolarHBondContact O-N 2.89Å
161K87.8Confident92Very high141 Ų14147.2 Ų47.261%0.61325%0.247SC*.THydrogen-bonded Turntrans60.335.5-177.9-51.8179.8177.8-1780111.6D135 D163 S164 L165D135-K161 WeakPolarHBondContact OD1-CA 3.42Å; D135-K161 PolarHBondContact OD1-N 3.13Å; K161-D163 VanDerWaalsContact C-OD1 3.26Å; K161-D163 WeakPolarHBondContact CA-OD1 3.31Å; K161-D163 PolarHBondContact O-N 3.36Å; K161-S164 WeakPolarHBondContact O-CB 3.36Å; K161-S164 PolarHBondContact O-N 2.91Å; K161-L165 PolarHBondContact O-N 2.79Å
162A90.7Very high92Very high0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-60.8-29.5177.700000111.1D135 S159 K160 S164 L165 Y166 V169D135-A162 HydrophobicContact CB-CB 3.91Å; D135-A162 PolarHBondContact OD1-N 3.43Å; S159-A162 WeakPolarHBondContact OG-CB 3.25Å; K160-A162 PolarHBondContact O-N 2.89Å; A162-S164 PolarHBondContact O-N 3.38Å; A162-L165 PolarHBondContact O-N 3.21Å; A162-L165 VanDerWaalsContact O-N 3.13Å; A162-Y166 HydrophobicContact CB-CD2 4.07Å; A162-Y166 PolarHBondContact O-N 3.35Å; A162-V169 HydrophobicContact CB-CB 4.42Å; A162-V169 HydrophobicContact CB-CG1 3.95Å; A162-V169 HydrophobicContact CB-CG2 4.23Å
163D88Confident92.1Very high4 Ų441.6 Ų41.62%0.02121%0.212CC..Hα-helixtrans-54.6-31.5172.169.4-26.4000114.2K61 K161 V169 S170K61-D163 WeakPolarHBondContact CE-OD2 3.28Å; K61-D163 IonicContact NZ-OD1 3.75Å; K61-D163 PolarHBondContact NZ-OD1 3.01Å; K61-D163 IonicContact NZ-OD2 2.65Å; K61-D163 PolarHBondContact NZ-OD2 3.5Å; K161-D163 VanDerWaalsContact C-OD1 3.26Å; K161-D163 WeakPolarHBondContact CA-OD1 3.31Å; K161-D163 PolarHBondContact O-N 3.36Å; D163-V169 HydrophobicContact CB-CG1 4.31Å; D163-S170 WeakPolarHBondContact O-CB 3.18Å; D163-S170 PolarHBondContact O-OG 3.07Å
164S87.7Confident92.2Very high51 Ų5133.6 Ų33.636%0.35717%0.17SC..Hα-helixtrans-90.2-24.7-178.2-48.70000111.9K161 A162K161-S164 WeakPolarHBondContact O-CB 3.36Å; K161-S164 PolarHBondContact O-N 2.91Å; A162-S164 PolarHBondContact O-N 3.38Å
165L88.9Confident92.2Very high97 Ų9732.2 Ų32.251%0.50816%0.163SC..Hα-helixtrans-89.6-44.1-176.6-63173.7000111.6K161 A162K161-L165 PolarHBondContact O-N 2.79Å; A162-L165 PolarHBondContact O-N 3.21Å; A162-L165 VanDerWaalsContact O-N 3.13Å
166Y91.3Very high92.3Very high65 Ų6528.4 Ų28.426%0.25514%0.143SC..  trans-116119-169.9-55.3-66.6000110.9Y133 A162 I168 V169 S170Y133-Y166 AromaticContact CD1-CD1 3.84Å; Y133-Y166 HydrophobicContact CD1-CD1 3.84Å; Y133-Y166 AromaticContact CD1-CD2 3.63Å; Y133-Y166 HydrophobicContact CD1-CD2 3.63Å; Y133-Y166 AromaticContact CD1-CE1 3.73Å; Y133-Y166 HydrophobicContact CD1-CE1 3.73Å; Y133-Y166 AromaticContact CD1-CE2 3.49Å; Y133-Y166 HydrophobicContact CD1-CE2 3.49Å; Y133-Y166 VanDerWaalsContact CD1-CE2 3.49Å; Y133-Y166 AromaticContact CD1-CG 3.79Å; Y133-Y166 HydrophobicContact CD1-CG 3.79Å; Y133-Y166 AromaticContact CD1-CZ 3.54Å; Y133-Y166 HydrophobicContact CD2-CG 4.47Å; Y133-Y166 AromaticContact CE1-CD1 3.69Å; Y133-Y166 HydrophobicContact CE1-CD1 3.69Å; Y133-Y166 HydrophobicContact CE1-CD2 4.26Å; Y133-Y166 AromaticContact CE1-CE1 3.31Å; Y133-Y166 HydrophobicContact CE1-CE1 3.31Å; Y133-Y166 AromaticContact CE1-CE2 3.93Å; Y133-Y166 HydrophobicContact CE1-CE2 3.93Å; Y133-Y166 HydrophobicContact CE1-CG 4.15Å; Y133-Y166 AromaticContact CE1-CZ 3.44Å; Y133-Y166 VanDerWaalsContact CE1-CZ 3.44Å; Y133-Y166 HydrophobicContact CE2-CD1 4.39Å; Y133-Y166 HydrophobicContact CG-CD1 4.26Å; Y133-Y166 AromaticContact CG-CD2 4Å; Y133-Y166 HydrophobicContact CG-CD2 4Å; Y133-Y166 HydrophobicContact CG-CE2 4.32Å; Y133-Y166 AromaticContact CG-CG 3.96Å; Y133-Y166 HydrophobicContact CG-CG 3.96Å; Y133-Y166 AromaticContact CZ-CD1 3.95Å; Y133-Y166 AromaticContact CZ-CE1 3.86Å; A162-Y166 HydrophobicContact CB-CD2 4.07Å; A162-Y166 PolarHBondContact O-N 3.35Å; Y166-I168 PolarHBondContact O-N 2.86Å; Y166-V169 HydrophobicContact CD2-CG2 4.4Å; Y166-V169 PolarHBondContact O-N 2.97Å; Y166-V169 VanDerWaalsContact O-N 3.11Å; Y166-S170 PolarHBondContact O-N 3.3Å
167P91.1Very high92.2Very high14 Ų1429.7 Ų29.79%0.09115%0.148CC..Hα-helixtrans-55.2-36.6179.8-24.431.6000113.5L52 E53 S170 A171L52-P167 HydrophobicContact CB-CB 4.07Å; E53-P167 HydrophobicContact CG-CB 4.21Å; E53-P167 HydrophobicContact CG-CG 3.41Å; E53-P167 VanDerWaalsContact CG-CG 3.41Å; P167-S170 VanDerWaalsContact O-CB 3.23Å; P167-S170 WeakPolarHBondContact O-CB 3.49Å; P167-S170 PolarHBondContact O-N 3.44Å; P167-A171 PolarHBondContact O-N 3.13Å
168I93Very high92.1Very high1 Ų128.7 Ų28.71%0.00514%0.141CC..Hα-helixtrans-66.3-38.5179.7-168.465.1000112.7T22 C44 L49 L52 F83 Y133 Y166 A171 A172T22-I168 HydrophobicContact CG2-CG2 4.21Å; C44-I168 HydrophobicContact CB-CD1 3.58Å; L49-I168 HydrophobicContact CD2-CB 4.07Å; L49-I168 HydrophobicContact CD2-CG2 4.44Å; L52-I168 HydrophobicContact CD1-CB 4.47Å; L52-I168 HydrophobicContact CD1-CD1 3.6Å; F83-I168 HydrophobicContact CD2-CD1 4.15Å; F83-I168 HydrophobicContact CE2-CD1 3.88Å; Y133-I168 HydrophobicContact CD2-CG2 3.96Å; Y166-I168 PolarHBondContact O-N 2.86Å; I168-A171 PolarHBondContact O-N 3.1Å; I168-A172 PolarHBondContact O-N 3.36Å
169V94.2Very high92.1Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-70.2-39.5174.6-177.50000109.5D26 Y133 D135 A162 D163 Y166 A171 A172 S173D26-V169 HydrophobicContact CB-CG1 3.99Å; Y133-V169 VanDerWaalsContact CB-CG2 3.42Å; D135-V169 HydrophobicContact CB-CG1 4.08Å; A162-V169 HydrophobicContact CB-CB 4.42Å; A162-V169 HydrophobicContact CB-CG1 3.95Å; A162-V169 HydrophobicContact CB-CG2 4.23Å; D163-V169 HydrophobicContact CB-CG1 4.31Å; Y166-V169 HydrophobicContact CD2-CG2 4.4Å; Y166-V169 PolarHBondContact O-N 2.97Å; Y166-V169 VanDerWaalsContact O-N 3.11Å; V169-A171 VanDerWaalsContact C-N 3.3Å; V169-A171 PolarHBondContact O-N 3.17Å; V169-A172 WeakPolarHBondContact O-CB 3.18Å; V169-A172 PolarHBondContact O-N 3.08Å; V169-S173 WeakPolarHBondContact O-CB 2.95Å; V169-S173 PolarHBondContact O-N 3.1Å
170S92.3Very high92.2Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-57.1-42.8173.1-137.10000112.4V57 K58 D163 Y166 P167 S173 I174V57-S170 VanDerWaalsContact C-OG 3.26Å; V57-S170 VanDerWaalsContact CG1-C 3.43Å; V57-S170 PolarHBondContact O-OG 3.39Å; K58-S170 WeakPolarHBondContact CA-OG 3.37Å; D163-S170 WeakPolarHBondContact O-CB 3.18Å; D163-S170 PolarHBondContact O-OG 3.07Å; Y166-S170 PolarHBondContact O-N 3.3Å; P167-S170 VanDerWaalsContact O-CB 3.23Å; P167-S170 WeakPolarHBondContact O-CB 3.49Å; P167-S170 PolarHBondContact O-N 3.44Å; S170-S173 WeakPolarHBondContact O-CB 3.46Å; S170-S173 PolarHBondContact O-N 2.8Å; S170-I174 PolarHBondContact O-N 3.01Å; S170-I174 VanDerWaalsContact O-N 3.07Å
171A92.2Very high92.2Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-65.5-43.9176.500000111.4V57 L75 F83 P167 I168 V169 S173 I174 C175V57-A171 HydrophobicContact CG1-CB 4.31Å; L75-A171 HydrophobicContact CD1-CB 4.1Å; F83-A171 HydrophobicContact CE2-CB 3.75Å; F83-A171 HydrophobicContact CZ-CB 3.84Å; P167-A171 PolarHBondContact O-N 3.13Å; I168-A171 PolarHBondContact O-N 3.1Å; V169-A171 VanDerWaalsContact C-N 3.3Å; V169-A171 PolarHBondContact O-N 3.17Å; A171-S173 VanDerWaalsContact C-N 3.28Å; A171-S173 PolarHBondContact O-N 3.1Å; A171-I174 PolarHBondContact O-N 3.06Å; A171-C175 PolarHBondContact O-N 2.92Å; A171-C175 PolarHBondContact O-SG 3.13Å
172A94.3Very high92.5Very high0 Ų024.7 Ų24.70%012%0.118CC..Hα-helixtrans-58.1-42.5172.900000111.3G24 D26 A40 I168 V169 I174 C175 A176G24-A172 VanDerWaalsContact O-CB 3.24Å; G24-A172 WeakPolarHBondContact O-CB 3.43Å; D26-A172 HydrophobicContact CB-CB 4.27Å; A40-A172 HydrophobicContact CB-CB 4.38Å; A40-A172 VanDerWaalsContact CB-O 3.25Å; A40-A172 WeakPolarHBondContact CB-O 3.33Å; I168-A172 PolarHBondContact O-N 3.36Å; V169-A172 WeakPolarHBondContact O-CB 3.18Å; V169-A172 PolarHBondContact O-N 3.08Å; A172-I174 PolarHBondContact O-N 3.43Å; A172-C175 WeakPolarHBondContact O-CB 3.42Å; A172-C175 PolarHBondContact O-N 2.54Å; A172-C175 VanDerWaalsContact O-N 3.15Å; A172-A176 PolarHBondContact O-N 2.7Å
173S94Very high92.7Very high1 Ų126.9 Ų26.91%0.00713%0.128CC..Hα-helixtrans-56.5-46.2176.3-151.60000112.5D26 V169 S170 A171 A176 K177D26-S173 WeakPolarHBondContact OD2-CB 3.24Å; D26-S173 PolarHBondContact OD2-OG 3.15Å; V169-S173 WeakPolarHBondContact O-CB 2.95Å; V169-S173 PolarHBondContact O-N 3.1Å; S170-S173 WeakPolarHBondContact O-CB 3.46Å; S170-S173 PolarHBondContact O-N 2.8Å; A171-S173 VanDerWaalsContact C-N 3.28Å; A171-S173 PolarHBondContact O-N 3.1Å; S173-A176 PolarHBondContact O-N 3.04Å; S173-K177 WeakPolarHBondContact O-CB 3.42Å; S173-K177 VanDerWaalsContact O-CG 3.27Å; S173-K177 WeakPolarHBondContact O-CG 3.41Å; S173-K177 PolarHBondContact O-N 3.3Å; S173-K177 PolarHBondContact OG-NZ 2.77Å
174I92.8Very high92.9Very high0 Ų027.4 Ų27.40%013%0.131CC..Hα-helixtrans-63.7-45.9176.6-67.1-176000110.4V57 R68 I71 F72 S170 A171 A172 A176 K177 V178V57-I174 HydrophobicContact CG1-CD1 3.49Å; V57-I174 VanDerWaalsContact CG1-CD1 3.49Å; V57-I174 HydrophobicContact CG1-CG1 4.2Å; R68-I174 HydrophobicContact CB-CG2 4.44Å; R68-I174 WeakPolarHBondContact O-CG2 3.46Å; I71-I174 HydrophobicContact CB-CD1 4.06Å; I71-I174 HydrophobicContact CD1-CD1 4.02Å; I71-I174 HydrophobicContact CG2-CD1 3.52Å; I71-I174 HydrophobicContact CG2-CG2 4.45Å; F72-I174 HydrophobicContact CB-CG2 4.06Å; S170-I174 PolarHBondContact O-N 3.01Å; S170-I174 VanDerWaalsContact O-N 3.07Å; A171-I174 PolarHBondContact O-N 3.06Å; A172-I174 PolarHBondContact O-N 3.43Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.82Å; I174-K177 PolarHBondContact O-N 3.17Å; I174-V178 HydrophobicContact CG2-CG2 4.04Å; I174-V178 WeakPolarHBondContact O-CB 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.47Å; I174-V178 PolarHBondContact O-N 3.17Å
175C93.9Very high93Very high0 Ų030.8 Ų30.80%014%0.135CC..Hα-helixtrans-57.1-45.8177.8-62.50000111.6A40 F72 L87 A171 A172 T179A40-C175 HydrophobicContact CB-CB 4.01Å; F72-C175 HydrophobicContact CD2-CB 4.16Å; F72-C175 HydrophobicContact CE2-CB 3.91Å; L87-C175 HydrophobicContact CD2-CB 4.22Å; A171-C175 PolarHBondContact O-N 2.92Å; A171-C175 PolarHBondContact O-SG 3.13Å; A172-C175 WeakPolarHBondContact O-CB 3.42Å; A172-C175 PolarHBondContact O-N 2.54Å; A172-C175 VanDerWaalsContact O-N 3.15Å; C175-T179 VanDerWaalsContact O-CB 3.25Å; C175-T179 WeakPolarHBondContact O-CB 3.35Å; C175-T179 PolarHBondContact O-N 2.68Å; C175-T179 VanDerWaalsContact O-N 3.12Å; C175-T179 PolarHBondContact O-OG1 3.33Å
176A94.9Very high93.3Very high0 Ų030.2 Ų30.20%013%0.133CC..Hα-helixtrans-62.9-50177.800000111.6A28 V38 A40 A172 S173 I174 T179 R180A28-A176 VanDerWaalsContact CB-C 3.47Å; A28-A176 HydrophobicContact CB-CB 3.73Å; V38-A176 HydrophobicContact CG1-CB 4.4Å; A40-A176 HydrophobicContact CB-CB 3.74Å; A172-A176 PolarHBondContact O-N 2.7Å; S173-A176 PolarHBondContact O-N 3.04Å; I174-A176 VanDerWaalsContact C-N 3.32Å; I174-A176 PolarHBondContact O-N 2.82Å; A176-T179 PolarHBondContact O-N 2.84Å; A176-R180 VanDerWaalsContact O-CB 3.3Å; A176-R180 WeakPolarHBondContact O-CB 3.34Å; A176-R180 PolarHBondContact O-N 3.06Å
177K93.7Very high93.3Very high44 Ų4429 Ų2919%0.19113%0.131CC..Hα-helixtrans-66.5-44.6-176-66.4-180179.397.50112.4A28 S60 S173 I174 R180 D181A28-K177 HydrophobicContact CB-CB 4.18Å; A28-K177 HydrophobicContact CB-CG 3.74Å; S60-K177 PolarHBondContact OG-NZ 3.38Å; S60-K177 VanDerWaalsContact OG-NZ 3.1Å; S173-K177 WeakPolarHBondContact O-CB 3.42Å; S173-K177 VanDerWaalsContact O-CG 3.27Å; S173-K177 WeakPolarHBondContact O-CG 3.41Å; S173-K177 PolarHBondContact O-N 3.3Å; S173-K177 PolarHBondContact OG-NZ 2.77Å; I174-K177 PolarHBondContact O-N 3.17Å; K177-R180 PolarHBondContact O-N 2.99Å; K177-D181 WeakPolarHBondContact O-CB 3.5Å; K177-D181 VanDerWaalsContact O-CG 3.26Å; K177-D181 PolarHBondContact O-N 2.58Å
178V93.8Very high93.4Very high14 Ų1428.3 Ų28.39%0.08513%0.127CC..Hα-helixtrans-62.3-44.9177.7171.50000110.8R68 F72 I174 R180 D181 R182R68-V178 HydrophobicContact CB-CG2 3.74Å; F72-V178 HydrophobicContact CB-CB 4.4Å; F72-V178 HydrophobicContact CB-CG1 4.29Å; F72-V178 HydrophobicContact CB-CG2 4.05Å; F72-V178 HydrophobicContact CD1-CG1 4.15Å; F72-V178 HydrophobicContact CG-CB 4.4Å; F72-V178 HydrophobicContact CG-CG1 4.15Å; I174-V178 HydrophobicContact CG2-CG2 4.04Å; I174-V178 WeakPolarHBondContact O-CB 3.29Å; I174-V178 WeakPolarHBondContact O-CG2 3.47Å; I174-V178 PolarHBondContact O-N 3.17Å; V178-R180 PolarHBondContact O-N 3.35Å; V178-D181 PolarHBondContact O-N 3.34Å; V178-R182 WeakPolarHBondContact O-CB 3.33Å; V178-R182 PolarHBondContact O-N 3.23Å
179T94.8Very high93.5Very high20 Ų2033.5 Ų33.512%0.12315%0.149CC..Hα-helixtrans-62.4-44.4177.5-58.10000111.3V38 L87 I89 C175 A176 R182 Q183V38-T179 HydrophobicContact CG1-CG2 4.03Å; V38-T179 HydrophobicContact CG2-CG2 4.39Å; L87-T179 HydrophobicContact CD1-CG2 4Å; L87-T179 WeakPolarHBondContact CD1-OG1 3.36Å; I89-T179 HydrophobicContact CD1-CG2 3.82Å; I89-T179 HydrophobicContact CG1-CG2 4.18Å; C175-T179 VanDerWaalsContact O-CB 3.25Å; C175-T179 WeakPolarHBondContact O-CB 3.35Å; C175-T179 PolarHBondContact O-N 2.68Å; C175-T179 VanDerWaalsContact O-N 3.12Å; C175-T179 PolarHBondContact O-OG1 3.33Å; A176-T179 PolarHBondContact O-N 2.84Å; T179-R182 PolarHBondContact O-N 2.83Å; T179-Q183 WeakPolarHBondContact O-CB 3.5Å; T179-Q183 PolarHBondContact O-N 2.72Å
180R95.1Very high93.4Very high14 Ų1441.6 Ų41.65%0.05319%0.187CC..Hα-helixtrans-61.1-48178.7-178.9-89.7176.4-174.4-2.5111.7A28 V38 A176 K177 V178 R182 Q183 L184 S200A28-R180 HydrophobicContact CB-CB 4.09Å; V38-R180 HydrophobicContact CB-CB 4.25Å; V38-R180 HydrophobicContact CG2-CB 3.75Å; V38-R180 HydrophobicContact CG2-CG 4.35Å; A176-R180 VanDerWaalsContact O-CB 3.3Å; A176-R180 WeakPolarHBondContact O-CB 3.34Å; A176-R180 PolarHBondContact O-N 3.06Å; K177-R180 PolarHBondContact O-N 2.99Å; V178-R180 PolarHBondContact O-N 3.35Å; R180-R182 VanDerWaalsContact C-N 3.35Å; R180-Q183 PolarHBondContact O-N 3.19Å; R180-L184 WeakPolarHBondContact O-CB 3.4Å; R180-L184 PolarHBondContact O-N 2.99Å; R180-S200 PolarHBondContact NH1-O 2.94Å; R180-S200 PolarHBondContact NH2-O 2.98Å
181D93Very high93.4Very high28 Ų2843.2 Ų43.215%0.1520%0.195CC..Hα-helixtrans-68.4-37.8-176.4-66.3-21.5000111.1R68 K177 V178 R185R68-D181 IonicContact CZ-OD2 3.55Å; R68-D181 VanDerWaalsContact CZ-OD2 3.23Å; R68-D181 IonicContact NH1-OD2 2.88Å; R68-D181 PolarHBondContact NH1-OD2 2.82Å; R68-D181 IonicContact NH2-OD2 3.77Å; R68-D181 PolarHBondContact NH2-OD2 2.88Å; K177-D181 WeakPolarHBondContact O-CB 3.5Å; K177-D181 VanDerWaalsContact O-CG 3.26Å; K177-D181 PolarHBondContact O-N 2.58Å; V178-D181 PolarHBondContact O-N 3.34Å; D181-R185 PolarHBondContact O-N 2.88Å
182R93.6Very high93.4Very high165 Ų16546.8 Ų46.862%0.62321%0.214SC*.Hα-helixtrans-61.7-50.2171.4-176.8175.7179.4165.22.5112V178 T179 R180 L184 R185 D186V178-R182 WeakPolarHBondContact O-CB 3.33Å; V178-R182 PolarHBondContact O-N 3.23Å; T179-R182 PolarHBondContact O-N 2.83Å; R180-R182 VanDerWaalsContact C-N 3.35Å; R182-L184 VanDerWaalsContact C-N 3.31Å; R182-L184 PolarHBondContact O-N 3.5Å; R182-R185 WeakPolarHBondContact O-CB 3.46Å; R182-R185 PolarHBondContact O-N 3.24Å; R182-D186 PolarHBondContact O-N 3.25Å
183Q93.4Very high93.3Very high46 Ų4651.9 Ų51.922%0.21524%0.241CC..Hα-helixtrans-62.8-39.4-179.9-170.964.449.100111.5P36 T179 R180 R185 D186 D187P36-Q183 HydrophobicContact CG-CB 4.04Å; P36-Q183 HydrophobicContact CG-CG 3.78Å; T179-Q183 WeakPolarHBondContact O-CB 3.5Å; T179-Q183 PolarHBondContact O-N 2.72Å; R180-Q183 PolarHBondContact O-N 3.19Å; Q183-R185 PolarHBondContact O-N 3.39Å; Q183-D186 PolarHBondContact O-N 3.21Å; Q183-D187 PolarHBondContact NE2-OD1 3.37Å; Q183-D187 VanDerWaalsContact O-CB 3.29Å; Q183-D187 WeakPolarHBondContact O-CB 3.49Å; Q183-D187 PolarHBondContact O-N 2.95Å
184L92.4Very high93.3Very high16 Ų1655.5 Ų55.58%0.08427%0.27CS..Hα-helixtrans-61.3-44.1175.3-172.177.5000111.4L34 R180 R182 D186 F188L34-L184 HydrophobicContact CB-CD1 4.34Å; R180-L184 WeakPolarHBondContact O-CB 3.4Å; R180-L184 PolarHBondContact O-N 2.99Å; R182-L184 VanDerWaalsContact C-N 3.31Å; R182-L184 PolarHBondContact O-N 3.5Å; L184-D186 VanDerWaalsContact C-N 3.34Å; L184-D186 PolarHBondContact O-N 3.4Å; L184-F188 HydrophobicContact CD1-CD2 3.81Å; L184-F188 HydrophobicContact CD1-CE2 3.61Å; L184-F188 HydrophobicContact CG-CD2 4.21Å; L184-F188 HydrophobicContact CG-CE2 4.47Å; L184-F188 WeakPolarHBondContact O-CD2 3.36Å; L184-F188 PolarHBondContact O-N 3.49Å; L184-F188 VanDerWaalsContact O-N 3.13Å
185R91.5Very high93.2Very high121 Ų12158.8 Ų58.846%0.45730%0.304SS..Hα-helixtrans-60.4-44.6175-111.3-166.2-54.2-106.9-4.3112.1E65 D181 R182 Q183 F188 K189E65-R185 IonicContact OE1-CZ 2.63Å; E65-R185 IonicContact OE1-NH1 3.15Å; E65-R185 PolarHBondContact OE1-NH1 3.12Å; E65-R185 IonicContact OE1-NH2 2.87Å; E65-R185 PolarHBondContact OE1-NH2 2.83Å; E65-R185 IonicContact OE2-NH1 3.61Å; D181-R185 PolarHBondContact O-N 2.88Å; R182-R185 WeakPolarHBondContact O-CB 3.46Å; R182-R185 PolarHBondContact O-N 3.24Å; Q183-R185 PolarHBondContact O-N 3.39Å; R185-F188 CarbonylContact O-C 3.52Å; R185-K189 WeakPolarHBondContact O-CA 3.34Å; R185-K189 PolarHBondContact O-N 3.19Å
186D93.2Very high93Very high86 Ų8662.4 Ų62.446%0.4632%0.323SS..Hα-helixtrans-67.7-44-177.6-68.8-17.8000111R182 Q183 L184 F188 K189R182-D186 PolarHBondContact O-N 3.25Å; Q183-D186 PolarHBondContact O-N 3.21Å; L184-D186 VanDerWaalsContact C-N 3.34Å; L184-D186 PolarHBondContact O-N 3.4Å; D186-F188 VanDerWaalsContact C-N 3.32Å; D186-F188 PolarHBondContact O-N 3.49Å; D186-K189 VanDerWaalsContact O-CB 3.3Å; D186-K189 WeakPolarHBondContact O-CB 3.41Å; D186-K189 PolarHBondContact O-N 3.28Å
187D92Very high92.8Very high38 Ų3866.7 Ų66.720%0.20335%0.352CS..Hα-helixtrans-59.7-41.1177.5-75-12.2000111.8Q183 F227Q183-D187 PolarHBondContact NE2-OD1 3.37Å; Q183-D187 VanDerWaalsContact O-CB 3.29Å; Q183-D187 WeakPolarHBondContact O-CB 3.49Å; Q183-D187 PolarHBondContact O-N 2.95Å; D187-F227 HydrophobicContact CB-CD1 3.68Å; D187-F227 HydrophobicContact CB-CD2 4.34Å; D187-F227 HydrophobicContact CB-CE1 3.58Å; D187-F227 HydrophobicContact CB-CE2 4.26Å; D187-F227 HydrophobicContact CB-CG 4.07Å; D187-F227 HydrophobicContact CB-CZ 3.88Å; D187-F227 WeakPolarHBondContact O-CE2 3.49Å; D187-F227 WeakPolarHBondContact O-CZ 3.41Å
188F93.9Very high92.7Very high1 Ų165 Ų650%0.00435%0.345CS..THydrogen-bonded Turntrans-96.510.6-178.7-73-89.9000113.6L34 L184 R185 D186 E190 I191 I192 V198 Y213 F227L34-F188 HydrophobicContact CB-CE2 4.39Å; L34-F188 HydrophobicContact CB-CZ 4.23Å; L34-F188 HydrophobicContact CD1-CZ 4.25Å; L34-F188 HydrophobicContact CD2-CZ 4.37Å; L184-F188 HydrophobicContact CD1-CD2 3.81Å; L184-F188 HydrophobicContact CD1-CE2 3.61Å; L184-F188 HydrophobicContact CG-CD2 4.21Å; L184-F188 HydrophobicContact CG-CE2 4.47Å; L184-F188 WeakPolarHBondContact O-CD2 3.36Å; L184-F188 PolarHBondContact O-N 3.49Å; L184-F188 VanDerWaalsContact O-N 3.13Å; R185-F188 CarbonylContact O-C 3.52Å; D186-F188 VanDerWaalsContact C-N 3.32Å; D186-F188 PolarHBondContact O-N 3.49Å; F188-E190 VanDerWaalsContact C-N 3.35Å; F188-E190 PolarHBondContact O-N 3.09Å; F188-I191 HydrophobicContact CD1-CB 4.42Å; F188-I191 HydrophobicContact CD1-CD1 3.69Å; F188-I191 HydrophobicContact CD1-CG2 4.47Å; F188-I191 HydrophobicContact CE1-CD1 4.16Å; F188-I191 WeakPolarHBondContact O-CB 3.49Å; F188-I191 PolarHBondContact O-N 3.37Å; F188-I192 HydrophobicContact CB-CD1 3.87Å; F188-I192 HydrophobicContact CB-CG1 4.19Å; F188-I192 WeakPolarHBondContact O-CB 3.31Å; F188-I192 WeakPolarHBondContact O-CG1 3.3Å; F188-I192 PolarHBondContact O-N 2.96Å; F188-V198 HydrophobicContact CB-CG2 4.11Å; F188-V198 HydrophobicContact CD1-CB 4.21Å; F188-V198 HydrophobicContact CD1-CG1 3.61Å; F188-V198 HydrophobicContact CD1-CG2 3.58Å; F188-V198 HydrophobicContact CD2-CG1 4.28Å; F188-V198 HydrophobicContact CE1-CG1 3.64Å; F188-V198 HydrophobicContact CE1-CG2 4.28Å; F188-V198 HydrophobicContact CE2-CG1 4.32Å; F188-V198 HydrophobicContact CG-CB 4.45Å; F188-V198 HydrophobicContact CG-CG1 3.93Å; F188-V198 HydrophobicContact CG-CG2 4.05Å; F188-V198 HydrophobicContact CZ-CG1 4Å; F188-Y213 AromaticContact CE1-CE1 3.73Å; F188-Y213 HydrophobicContact CE1-CE1 3.73Å; F188-Y213 AromaticContact CE1-CZ 3.66Å; F188-Y213 WeakPolarHBondContact CE1-OH 3.3Å; F188-Y213 HydrophobicContact CZ-CE1 4.41Å; F188-F227 HydrophobicContact CD2-CB 4.45Å; F188-F227 HydrophobicContact CE1-CB 4.14Å; F188-F227 HydrophobicContact CE1-CD2 4.37Å; F188-F227 HydrophobicContact CE2-CB 3.52Å; F188-F227 HydrophobicContact CE2-CD2 4.41Å; F188-F227 HydrophobicContact CE2-CG 4.14Å; F188-F227 HydrophobicContact CZ-CB 3.34Å; F188-F227 HydrophobicContact CZ-CD2 4.28Å; F188-F227 HydrophobicContact CZ-CG 4.18Å
189K93.8Very high92.5Very high110 Ų11065.8 Ų65.848%0.47836%0.356SS..Hα-helixtrans-54.1-49.4-172.7-172.9-172.1-176.9-56.70112.3R185 D186 I191 I192 D193R185-K189 WeakPolarHBondContact O-CA 3.34Å; R185-K189 PolarHBondContact O-N 3.19Å; D186-K189 VanDerWaalsContact O-CB 3.3Å; D186-K189 WeakPolarHBondContact O-CB 3.41Å; D186-K189 PolarHBondContact O-N 3.28Å; K189-I191 VanDerWaalsContact C-N 3.3Å; K189-I191 PolarHBondContact O-N 3.41Å; K189-I192 PolarHBondContact O-N 3.34Å; K189-D193 IonicContact NZ-OD1 3.82Å; K189-D193 IonicContact NZ-OD2 3.55Å; K189-D193 PolarHBondContact NZ-OD2 3.09Å; K189-D193 VanDerWaalsContact O-CB 3.28Å; K189-D193 WeakPolarHBondContact O-CB 3.47Å; K189-D193 PolarHBondContact O-N 3.44Å
190E92.8Very high92.2Very high170 Ų17067.3 Ų67.379%0.79437%0.368SS*.Hα-helixtrans-63.5-36.2-179.5-63.4-177.6173.600112.4F188 A194F188-E190 VanDerWaalsContact C-N 3.35Å; F188-E190 PolarHBondContact O-N 3.09Å; E190-A194 WeakPolarHBondContact O-CB 3.32Å; E190-A194 PolarHBondContact O-N 2.88Å; E190-A194 VanDerWaalsContact O-N 3.09Å
191I92.2Very high92Very high34 Ų3466.7 Ų66.717%0.17437%0.365CS..Hα-helixtrans-70.3-43.4178.3-67.8170.3000110.2F188 K189 A194 I196 V198 Y213F188-I191 HydrophobicContact CD1-CB 4.42Å; F188-I191 HydrophobicContact CD1-CD1 3.69Å; F188-I191 HydrophobicContact CD1-CG2 4.47Å; F188-I191 HydrophobicContact CE1-CD1 4.16Å; F188-I191 WeakPolarHBondContact O-CB 3.49Å; F188-I191 PolarHBondContact O-N 3.37Å; K189-I191 VanDerWaalsContact C-N 3.3Å; K189-I191 PolarHBondContact O-N 3.41Å; I191-A194 PolarHBondContact O-N 3.37Å; I191-I196 HydrophobicContact CG2-CB 3.67Å; I191-I196 HydrophobicContact CG2-CD1 4.13Å; I191-I196 HydrophobicContact CG2-CG1 4.46Å; I191-I196 HydrophobicContact CG2-CG2 3.79Å; I191-I196 WeakPolarHBondContact O-CB 3.45Å; I191-I196 PolarHBondContact O-N 3Å; I191-I196 VanDerWaalsContact O-N 3.14Å; I191-V198 HydrophobicContact CG2-CG2 3.66Å; I191-Y213 HydrophobicContact CD1-CE2 4.42Å; I191-Y213 HydrophobicContact CG2-CE2 3.89Å
192I92Very high91.8Very high75 Ų7570.4 Ų70.439%0.38538%0.378SS..Hα-helixtrans-67.3-43177.8-67.4166.6000110.5F188 K189 A194 G195 V198F188-I192 HydrophobicContact CB-CD1 3.87Å; F188-I192 HydrophobicContact CB-CG1 4.19Å; F188-I192 WeakPolarHBondContact O-CB 3.31Å; F188-I192 WeakPolarHBondContact O-CG1 3.3Å; F188-I192 PolarHBondContact O-N 2.96Å; K189-I192 PolarHBondContact O-N 3.34Å; I192-A194 PolarHBondContact O-N 2.93Å; I192-G195 WeakPolarHBondContact O-CA 3.46Å; I192-G195 PolarHBondContact O-N 3.37Å; I192-V198 HydrophobicContact CG1-CG2 4.18Å
193D92.9Very high91.2Very high107 Ų10764 Ų6457%0.57236%0.358SS*.Hα-helixtrans-63.8-28.5176.8-71.9-14.4000112K189 G195K189-D193 IonicContact NZ-OD1 3.82Å; K189-D193 IonicContact NZ-OD2 3.55Å; K189-D193 PolarHBondContact NZ-OD2 3.09Å; K189-D193 VanDerWaalsContact O-CB 3.28Å; K189-D193 WeakPolarHBondContact O-CB 3.47Å; K189-D193 PolarHBondContact O-N 3.44Å; D193-G195 PolarHBondContact O-N 3.37Å
194A92.9Very high90.5Very high76 Ų7665.2 Ų65.263%0.62837%0.371SS*.THydrogen-bonded Turntrans-75.51.4171.100000113.7E190 I191 I192E190-A194 WeakPolarHBondContact O-CB 3.32Å; E190-A194 PolarHBondContact O-N 2.88Å; E190-A194 VanDerWaalsContact O-N 3.09Å; I191-A194 PolarHBondContact O-N 3.37Å; I192-A194 PolarHBondContact O-N 2.93Å
195G90.7Very high89.4Confident69 Ų6970.4 Ų70.471%0.71140%0.404SS*.THydrogen-bonded Turntrans8810.717700000114.9I192 D193I192-G195 WeakPolarHBondContact O-CA 3.46Å; I192-G195 PolarHBondContact O-N 3.37Å; D193-G195 PolarHBondContact O-N 3.37Å
196I90.8Very high88.8Confident77 Ų7770.5 Ų70.540%0.39542%0.42SS..  trans-89.1124.8-179.8-60170.1000109.8I191 V198 Y213I191-I196 HydrophobicContact CG2-CB 3.67Å; I191-I196 HydrophobicContact CG2-CD1 4.13Å; I191-I196 HydrophobicContact CG2-CG1 4.46Å; I191-I196 HydrophobicContact CG2-CG2 3.79Å; I191-I196 WeakPolarHBondContact O-CB 3.45Å; I191-I196 PolarHBondContact O-N 3Å; I191-I196 VanDerWaalsContact O-N 3.14Å; I196-V198 PolarHBondContact O-N 3.16Å; I196-Y213 HydrophobicContact CG2-CD2 3.75Å; I196-Y213 HydrophobicContact CG2-CE2 4.23Å
197C90.5Very high88.4Confident90 Ų9067.1 Ų67.161%0.60840%0.402SS*.  trans-84.4110.4176-167.50000110.6A209C197-A209 HydrophobicContact CB-CB 4.37Å; C197-A209 VanDerWaalsContact SG-CB 3.59Å
198V91Very high88.3Confident8 Ų869.7 Ų69.75%0.04842%0.42CS..  trans-84.7-21-177.8-178.50000112.4L34 F188 I191 I192 I196 T210 Y213L34-V198 HydrophobicContact CD1-CG1 3.39Å; F188-V198 HydrophobicContact CB-CG2 4.11Å; F188-V198 HydrophobicContact CD1-CB 4.21Å; F188-V198 HydrophobicContact CD1-CG1 3.61Å; F188-V198 HydrophobicContact CD1-CG2 3.58Å; F188-V198 HydrophobicContact CD2-CG1 4.28Å; F188-V198 HydrophobicContact CE1-CG1 3.64Å; F188-V198 HydrophobicContact CE1-CG2 4.28Å; F188-V198 HydrophobicContact CE2-CG1 4.32Å; F188-V198 HydrophobicContact CG-CB 4.45Å; F188-V198 HydrophobicContact CG-CG1 3.93Å; F188-V198 HydrophobicContact CG-CG2 4.05Å; F188-V198 HydrophobicContact CZ-CG1 4Å; I191-V198 HydrophobicContact CG2-CG2 3.66Å; I192-V198 HydrophobicContact CG1-CG2 4.18Å; I196-V198 PolarHBondContact O-N 3.16Å; V198-T210 WeakPolarHBondContact O-CA 3.45Å; V198-T210 PolarHBondContact O-N 3.37Å; V198-T210 PolarHBondContact O-OG1 2.8Å; V198-Y213 HydrophobicContact CG1-CD1 4.1Å; V198-Y213 HydrophobicContact CG1-CE1 4.35Å; V198-Y213 HydrophobicContact CG1-CG 4.25Å; V198-Y213 HydrophobicContact CG2-CD2 4.08Å; V198-Y213 HydrophobicContact CG2-CE2 4.21Å; V198-Y213 HydrophobicContact CG2-CG 4.44Å
199G90.2Very high88.2Confident30 Ų3070.5 Ų70.531%0.30943%0.428SS..  trans74.9-163.9-175.200000113.6D207G199-D207 WeakPolarHBondContact CA-OD1 3.38Å
200S88Confident88.3Confident53 Ų5365.3 Ų65.337%0.37141%0.405SS..SBendtrans-84.5-9.1-177.4730000113.9R180 Y202 D207 T210R180-S200 PolarHBondContact NH1-O 2.94Å; R180-S200 PolarHBondContact NH2-O 2.98Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.45Å; S200-D207 VanDerWaalsContact CA-OD2 3.28Å; S200-D207 WeakPolarHBondContact CA-OD2 3Å; S200-D207 WeakPolarHBondContact CB-OD2 3.48Å; S200-D207 PolarHBondContact N-OD1 2.94Å; S200-D207 PolarHBondContact N-OD2 2.85Å; S200-D207 VanDerWaalsContact OG-CG 3.29Å; S200-D207 PolarHBondContact OG-OD2 2.74Å; S200-T210 PolarHBondContact N-OG1 3.4Å
201G90.5Very high88.2Confident0 Ų059.4 Ų59.40%038%0.38CS..SBendtrans91.92.4-179.600000115.6P32 V33 L34 D207 T210P32-G201 CarbonylContact C-O 3.59Å; P32-G201 WeakPolarHBondContact CA-O 3.09Å; P32-G201 VanDerWaalsContact CB-O 3.28Å; P32-G201 WeakPolarHBondContact CB-O 3.48Å; V33-G201 WeakPolarHBondContact CG1-O 3.46Å; V33-G201 PolarHBondContact N-O 3.29Å; L34-G201 PolarHBondContact N-O 3.18Å; G201-D207 PolarHBondContact N-OD2 3.46Å; G201-D207 VanDerWaalsContact N-OD2 3.1Å; G201-T210 VanDerWaalsContact CA-OG1 3.3Å; G201-T210 WeakPolarHBondContact CA-OG1 3.41Å; G201-T210 PolarHBondContact N-OG1 3.12Å
202Y89.4Confident88.2Confident106 Ų10663.8 Ų63.842%0.41640%0.4SS..  trans-82.6136.9178.6-76.1-90.3000111.5P32 S200 S204 D207 T210P32-Y202 HydrophobicContact CG-CD1 4.18Å; P32-Y202 HydrophobicContact CG-CD2 4.09Å; P32-Y202 HydrophobicContact CG-CE1 3.84Å; P32-Y202 HydrophobicContact CG-CE2 3.76Å; P32-Y202 HydrophobicContact CG-CG 4.31Å; S200-Y202 WeakPolarHBondContact OG-CD2 3.45Å; Y202-S204 PolarHBondContact O-N 2.73Å; Y202-D207 PolarHBondContact N-OD2 2.86Å; Y202-T210 WeakPolarHBondContact O-CB 3.46Å; Y202-T210 VanDerWaalsContact O-CG2 3.24Å; Y202-T210 WeakPolarHBondContact O-CG2 3.15Å
203P81.7Confident88.4Confident32 Ų3260.7 Ų60.721%0.20838%0.384CS..SBendtrans-74.77.1-171.830-36000115V33 T234V33-P203 HydrophobicContact CB-CB 4.17Å; V33-P203 HydrophobicContact CG1-CB 3.82Å; P203-T234 HydrophobicContact CB-CG2 4.08Å; P203-T234 WeakPolarHBondContact CB-OG1 3.3Å
204S77.4Confident88.4Confident70 Ų7055.7 Ų55.749%0.4936%0.357SS..SBendtrans-148.4162.3-173.461.80000112.6Y202 D207Y202-S204 PolarHBondContact O-N 2.73Å; S204-D207 PolarHBondContact O-N 2.9Å; S204-D207 VanDerWaalsContact O-N 3.13Å
205V70.6Confident88.4Confident126 Ų12656.6 Ų56.676%0.76435%0.348SS*.THydrogen-bonded Turntrans-48.9131167.8-175.40000108.6
206P77.4Confident88.6Confident123 Ų12358.2 Ų58.280%0.79934%0.344SS*.THydrogen-bonded Turncis-90.318.124.737.1-37000117.1P208P206-P208 VanDerWaalsContact C-CD 3.44Å; P206-P208 WeakPolarHBondContact O-CD 3.36Å
207D85.2Confident88.7Confident14 Ų1456 Ų568%0.07534%0.336CS..  trans-108.277.6-176.9-169.1-1.1000113.9G199 S200 G201 Y202 S204 A209 T210G199-D207 WeakPolarHBondContact CA-OD1 3.38Å; S200-D207 VanDerWaalsContact CA-OD2 3.28Å; S200-D207 WeakPolarHBondContact CA-OD2 3Å; S200-D207 WeakPolarHBondContact CB-OD2 3.48Å; S200-D207 PolarHBondContact N-OD1 2.94Å; S200-D207 PolarHBondContact N-OD2 2.85Å; S200-D207 VanDerWaalsContact OG-CG 3.29Å; S200-D207 PolarHBondContact OG-OD2 2.74Å; G201-D207 PolarHBondContact N-OD2 3.46Å; G201-D207 VanDerWaalsContact N-OD2 3.1Å; Y202-D207 PolarHBondContact N-OD2 2.86Å; S204-D207 PolarHBondContact O-N 2.9Å; S204-D207 VanDerWaalsContact O-N 3.13Å; D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 2.83Å; D207-T210 PolarHBondContact OD1-N 2.92Å; D207-T210 PolarHBondContact OD1-OG1 3.36Å; D207-T210 WeakPolarHBondContact OD2-CB 3.34Å; D207-T210 PolarHBondContact OD2-OG1 3.11Å
208P90.6Very high89Confident92 Ų9252.9 Ų52.960%0.59731%0.314SS*.Hα-helixtrans-66.8-30.9-179.527.6-34.7000112.8P206 T210 V211 E212P206-P208 VanDerWaalsContact C-CD 3.44Å; P206-P208 WeakPolarHBondContact O-CD 3.36Å; P208-T210 PolarHBondContact O-N 2.73Å; P208-V211 PolarHBondContact O-N 3.47Å; P208-E212 PolarHBondContact O-N 3.36Å
209A92.6Very high89.2Confident19 Ų1955.7 Ų55.716%0.15733%0.328CS..Hα-helixtrans-62.7-43.9-18000000111.5C197 D207 V211 E212 Y213C197-A209 HydrophobicContact CB-CB 4.37Å; C197-A209 VanDerWaalsContact SG-CB 3.59Å; D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 2.83Å; A209-V211 VanDerWaalsContact C-N 3.32Å; A209-V211 PolarHBondContact O-N 3.01Å; A209-E212 PolarHBondContact O-N 2.88Å; A209-Y213 WeakPolarHBondContact O-CB 3.3Å; A209-Y213 PolarHBondContact O-N 3.49Å
210T93.9Very high89.5Confident0 Ų057.7 Ų57.70%034%0.336CS..Hα-helixtrans-61.2-41.4174.4-65.80000112.3V33 L34 V198 S200 G201 Y202 D207 P208 Y213 L214V33-T210 HydrophobicContact CG1-CG2 4.18Å; L34-T210 HydrophobicContact CD1-CG2 3.85Å; L34-T210 HydrophobicContact CG-CG2 4.09Å; V198-T210 WeakPolarHBondContact O-CA 3.45Å; V198-T210 PolarHBondContact O-N 3.37Å; V198-T210 PolarHBondContact O-OG1 2.8Å; S200-T210 PolarHBondContact N-OG1 3.4Å; G201-T210 VanDerWaalsContact CA-OG1 3.3Å; G201-T210 WeakPolarHBondContact CA-OG1 3.41Å; G201-T210 PolarHBondContact N-OG1 3.12Å; Y202-T210 WeakPolarHBondContact O-CB 3.46Å; Y202-T210 VanDerWaalsContact O-CG2 3.24Å; Y202-T210 WeakPolarHBondContact O-CG2 3.15Å; D207-T210 PolarHBondContact OD1-N 2.92Å; D207-T210 PolarHBondContact OD1-OG1 3.36Å; D207-T210 WeakPolarHBondContact OD2-CB 3.34Å; D207-T210 PolarHBondContact OD2-OG1 3.11Å; P208-T210 PolarHBondContact O-N 2.73Å; T210-Y213 PolarHBondContact O-N 2.77Å; T210-L214 HydrophobicContact CG2-CD1 3.78Å; T210-L214 HydrophobicContact CG2-CG 4.34Å; T210-L214 WeakPolarHBondContact O-CB 3.36Å; T210-L214 WeakPolarHBondContact O-CD1 3.17Å; T210-L214 VanDerWaalsContact O-CG 3.27Å; T210-L214 WeakPolarHBondContact O-CG 3.49Å; T210-L214 PolarHBondContact O-N 2.65Å
211V91.5Very high89.9Confident46 Ų4660.1 Ų60.128%0.27935%0.349SS..Hα-helixtrans-64.1-44.9179.7176.30000110.6P208 A209 L214 Q215P208-V211 PolarHBondContact O-N 3.47Å; A209-V211 VanDerWaalsContact C-N 3.32Å; A209-V211 PolarHBondContact O-N 3.01Å; V211-L214 PolarHBondContact O-N 2.97Å; V211-Q215 VanDerWaalsContact O-CG 3.32Å; V211-Q215 WeakPolarHBondContact O-CG 3.41Å; V211-Q215 PolarHBondContact O-N 3.13Å
212E93.3Very high90.1Very high127 Ų12768 Ų6859%0.59338%0.383SS*.Hα-helixtrans-63.5-45.5177-176.6173.4-17000111.8P208 A209 L214 Q215 T216P208-E212 PolarHBondContact O-N 3.36Å; A209-E212 PolarHBondContact O-N 2.88Å; E212-L214 PolarHBondContact O-N 3.18Å; E212-Q215 PolarHBondContact O-N 2.75Å; E212-Q215 VanDerWaalsContact O-N 3.15Å; E212-T216 WeakPolarHBondContact O-CG2 3.34Å; E212-T216 PolarHBondContact O-N 3.12Å; E212-T216 PolarHBondContact O-OG1 3.1Å
213Y94.8Very high90.4Very high10 Ų1063 Ų634%0.03936%0.364CS..Hα-helixtrans-56.9-48.8175.4174-100.6000111.7L34 F188 I191 I196 V198 A209 T210 Q215 T216 S217 N225L34-Y213 HydrophobicContact CD1-CD1 3.75Å; L34-Y213 HydrophobicContact CD1-CE1 4.11Å; L34-Y213 HydrophobicContact CD2-CD1 4.36Å; L34-Y213 HydrophobicContact CD2-CE1 4.21Å; F188-Y213 AromaticContact CE1-CE1 3.73Å; F188-Y213 HydrophobicContact CE1-CE1 3.73Å; F188-Y213 AromaticContact CE1-CZ 3.66Å; F188-Y213 WeakPolarHBondContact CE1-OH 3.3Å; F188-Y213 HydrophobicContact CZ-CE1 4.41Å; I191-Y213 HydrophobicContact CD1-CE2 4.42Å; I191-Y213 HydrophobicContact CG2-CE2 3.89Å; I196-Y213 HydrophobicContact CG2-CD2 3.75Å; I196-Y213 HydrophobicContact CG2-CE2 4.23Å; V198-Y213 HydrophobicContact CG1-CD1 4.1Å; V198-Y213 HydrophobicContact CG1-CE1 4.35Å; V198-Y213 HydrophobicContact CG1-CG 4.25Å; V198-Y213 HydrophobicContact CG2-CD2 4.08Å; V198-Y213 HydrophobicContact CG2-CE2 4.21Å; V198-Y213 HydrophobicContact CG2-CG 4.44Å; A209-Y213 WeakPolarHBondContact O-CB 3.3Å; A209-Y213 PolarHBondContact O-N 3.49Å; T210-Y213 PolarHBondContact O-N 2.77Å; Y213-Q215 VanDerWaalsContact C-N 3.28Å; Y213-Q215 PolarHBondContact O-N 2.8Å; Y213-T216 PolarHBondContact O-N 3.18Å; Y213-T216 PolarHBondContact O-OG1 3.28Å; Y213-S217 VanDerWaalsContact O-CB 3.23Å; Y213-S217 WeakPolarHBondContact O-CB 3.44Å; Y213-S217 PolarHBondContact O-N 2.58Å; Y213-S217 PolarHBondContact O-OG 2.99Å; Y213-N225 PolarHBondContact OH-ND2 2.87Å
214L94.1Very high91.1Very high1 Ų162.2 Ų62.21%0.00536%0.357CS..Hα-helixtrans-63.6-34177.8-73.9166.1000112.4V33 L34 T210 V211 E212 T216 V218 F224 V228 L238V33-L214 HydrophobicContact CG1-CD1 3.51Å; V33-L214 HydrophobicContact CG1-CD2 4.48Å; L34-L214 HydrophobicContact CD2-CD2 3.74Å; L34-L214 HydrophobicContact CD2-CG 4.37Å; T210-L214 HydrophobicContact CG2-CD1 3.78Å; T210-L214 HydrophobicContact CG2-CG 4.34Å; T210-L214 WeakPolarHBondContact O-CB 3.36Å; T210-L214 WeakPolarHBondContact O-CD1 3.17Å; T210-L214 VanDerWaalsContact O-CG 3.27Å; T210-L214 WeakPolarHBondContact O-CG 3.49Å; T210-L214 PolarHBondContact O-N 2.65Å; V211-L214 PolarHBondContact O-N 2.97Å; E212-L214 PolarHBondContact O-N 3.18Å; L214-T216 VanDerWaalsContact C-N 3.34Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.28Å; L214-F224 HydrophobicContact CD2-CD1 4.49Å; L214-F224 HydrophobicContact CD2-CE1 3.95Å; L214-F224 HydrophobicContact CD2-CZ 4.2Å; L214-F224 VanDerWaalsContact O-CE1 3.32Å; L214-F224 WeakPolarHBondContact O-CE1 3.33Å; L214-V228 HydrophobicContact CD2-CG1 3.84Å; L214-V228 HydrophobicContact CD2-CG2 4.26Å; L214-L238 HydrophobicContact CB-CD1 3.68Å
215Q92.7Very high91.9Very high96 Ų9661.3 Ų61.345%0.44935%0.347SS..Hα-helixtrans-71.4-31.4177.4-75.5-176.811.700112.6V211 E212 Y213 L238 K242V211-Q215 VanDerWaalsContact O-CG 3.32Å; V211-Q215 WeakPolarHBondContact O-CG 3.41Å; V211-Q215 PolarHBondContact O-N 3.13Å; E212-Q215 PolarHBondContact O-N 2.75Å; E212-Q215 VanDerWaalsContact O-N 3.15Å; Y213-Q215 VanDerWaalsContact C-N 3.28Å; Y213-Q215 PolarHBondContact O-N 2.8Å; Q215-L238 HydrophobicContact CG-CD2 4.13Å; Q215-K242 PolarHBondContact O-NZ 3.33Å
216T93.3Very high93.1Very high102 Ų10258.7 Ų58.763%0.62633%0.334SS*.Hα-helixtrans-94.4-23.4-173.951.60000113.5E212 Y213 L214E212-T216 WeakPolarHBondContact O-CG2 3.34Å; E212-T216 PolarHBondContact O-N 3.12Å; E212-T216 PolarHBondContact O-OG1 3.1Å; Y213-T216 PolarHBondContact O-N 3.18Å; Y213-T216 PolarHBondContact O-OG1 3.28Å; L214-T216 VanDerWaalsContact C-N 3.34Å
217S94.3Very high93.9Very high31 Ų3155.5 Ų55.522%0.21731%0.308CS..SBendtrans-884.9-176.158.30000115.6Y213 D219Y213-S217 VanDerWaalsContact O-CB 3.23Å; Y213-S217 WeakPolarHBondContact O-CB 3.44Å; Y213-S217 PolarHBondContact O-N 2.58Å; Y213-S217 PolarHBondContact O-OG 2.99Å; S217-D219 PolarHBondContact O-N 3.13Å
218V95.5Very high94.4Very high24 Ų2454.8 Ų54.815%0.14530%0.304CS..  trans-77.2111.3179.6-169.90000110.8L214 G223 F224 L238 L239 K242 A243L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.28Å; V218-G223 CarbonylContact C-O 3.52Å; V218-G223 WeakPolarHBondContact CA-O 3.28Å; V218-F224 HydrophobicContact CB-CE1 4.42Å; V218-F224 HydrophobicContact CG2-CD1 4.29Å; V218-F224 HydrophobicContact CG2-CE1 3.45Å; V218-F224 VanDerWaalsContact CG2-CE1 3.45Å; V218-F224 HydrophobicContact CG2-CZ 3.57Å; V218-L238 HydrophobicContact CG2-CB 4.48Å; V218-L239 HydrophobicContact CG1-CD2 4.29Å; V218-K242 HydrophobicContact CB-CB 4.23Å; V218-K242 HydrophobicContact CB-CD 4.44Å; V218-K242 HydrophobicContact CG1-CB 3.94Å; V218-K242 HydrophobicContact CG2-CB 4.45Å; V218-K242 HydrophobicContact CG2-CD 4.19Å; V218-A243 HydrophobicContact CG1-CB 4.24Å
219D96.7Very high94.7Very high67 Ų6750.4 Ų50.436%0.35828%0.276SS..BIsolated β-bridgetrans-74.9135.5163.9-175.1-88.4000110.9S217 V221 F222 G223S217-D219 PolarHBondContact O-N 3.13Å; D219-V221 VanDerWaalsContact C-N 3.27Å; D219-V221 PolarHBondContact O-N 3.06Å; D219-V221 WeakPolarHBondContact OD1-CA 3.21Å; D219-V221 PolarHBondContact OD1-N 2.65Å; D219-F222 HydrophobicContact CB-CB 4.32Å; D219-F222 WeakPolarHBondContact OD1-CD2 3.45Å; D219-F222 PolarHBondContact OD1-N 2.71Å; D219-G223 PolarHBondContact N-O 2.86Å; D219-G223 VanDerWaalsContact O-CA 3.23Å; D219-G223 WeakPolarHBondContact O-CA 3.4Å; D219-G223 PolarHBondContact O-N 3.19Å
220P95.5Very high94.8Very high73 Ų7352 Ų5247%0.47428%0.279SS..THydrogen-bonded Turntrans-61.4-29.7-178.1-25.334.8000114.9V244P220-V244 WeakPolarHBondContact O-CB 3.36Å; P220-V244 WeakPolarHBondContact O-CG2 3.4Å; P220-V244 PolarHBondContact O-N 3.31Å
221V96.2Very high94.9Very high104 Ų10452.6 Ų52.663%0.6328%0.283SS*.THydrogen-bonded Turntrans-102.4-48.1-175.4179.40000110.7D219D219-V221 VanDerWaalsContact C-N 3.27Å; D219-V221 PolarHBondContact O-N 3.06Å; D219-V221 WeakPolarHBondContact OD1-CA 3.21Å; D219-V221 PolarHBondContact OD1-N 2.65Å
222F96.1Very high95.1Very high165 Ų16552 Ų5272%0.72428%0.276SS*.THydrogen-bonded Turntrans-92.1-13.3-173.9-62.3-71.1000113.6D219 F224D219-F222 HydrophobicContact CB-CB 4.32Å; D219-F222 WeakPolarHBondContact OD1-CD2 3.45Å; D219-F222 PolarHBondContact OD1-N 2.71Å; F222-F224 PolarHBondContact O-N 2.79Å
223G95.9Very high95.1Very high2 Ų250.3 Ų50.32%0.02128%0.278CS..BIsolated β-bridgetrans74.9-107.5-177.200000111.7V218 D219V218-G223 CarbonylContact C-O 3.52Å; V218-G223 WeakPolarHBondContact CA-O 3.28Å; D219-G223 PolarHBondContact N-O 2.86Å; D219-G223 VanDerWaalsContact O-CA 3.23Å; D219-G223 WeakPolarHBondContact O-CA 3.4Å; D219-G223 PolarHBondContact O-N 3.19Å
224F95.7Very high95Very high15 Ų1552.1 Ų52.17%0.06629%0.29CS..SBendtrans-111.1167.5-176.5-64.9-72.1000112.9L214 V218 F222 V228 F230 A235 L238 L239L214-F224 HydrophobicContact CD2-CD1 4.49Å; L214-F224 HydrophobicContact CD2-CE1 3.95Å; L214-F224 HydrophobicContact CD2-CZ 4.2Å; L214-F224 VanDerWaalsContact O-CE1 3.32Å; L214-F224 WeakPolarHBondContact O-CE1 3.33Å; V218-F224 HydrophobicContact CB-CE1 4.42Å; V218-F224 HydrophobicContact CG2-CD1 4.29Å; V218-F224 HydrophobicContact CG2-CE1 3.45Å; V218-F224 VanDerWaalsContact CG2-CE1 3.45Å; V218-F224 HydrophobicContact CG2-CZ 3.57Å; F222-F224 PolarHBondContact O-N 2.79Å; F224-V228 HydrophobicContact CB-CB 3.57Å; F224-V228 HydrophobicContact CB-CG1 4.02Å; F224-V228 HydrophobicContact CB-CG2 3.58Å; F224-V228 HydrophobicContact CD1-CB 4.42Å; F224-V228 HydrophobicContact CD1-CG1 4.27Å; F224-V228 HydrophobicContact CD1-CG2 3.92Å; F224-V228 HydrophobicContact CD2-CB 4.34Å; F224-V228 HydrophobicContact CD2-CG1 3.82Å; F224-V228 HydrophobicContact CE2-CG1 4.31Å; F224-V228 HydrophobicContact CG-CB 3.9Å; F224-V228 HydrophobicContact CG-CG1 3.79Å; F224-V228 HydrophobicContact CG-CG2 3.86Å; F224-F230 HydrophobicContact CB-CE1 4.32Å; F224-F230 HydrophobicContact CB-CE2 3.9Å; F224-F230 HydrophobicContact CB-CZ 3.65Å; F224-F230 HydrophobicContact CD2-CE1 4.32Å; F224-F230 HydrophobicContact CD2-CZ 4.44Å; F224-F230 WeakPolarHBondContact O-CZ 3.47Å; F224-A235 HydrophobicContact CD2-CB 4.41Å; F224-A235 HydrophobicContact CE2-CB 3.93Å; F224-L238 HydrophobicContact CE2-CB 4.43Å; F224-L238 HydrophobicContact CZ-CB 3.94Å; F224-L238 HydrophobicContact CZ-CD1 4.02Å; F224-L239 HydrophobicContact CD2-CD1 4.33Å; F224-L239 HydrophobicContact CD2-CD2 3.87Å; F224-L239 HydrophobicContact CD2-CG 4.1Å; F224-L239 HydrophobicContact CE2-CD1 4.36Å; F224-L239 HydrophobicContact CE2-CD2 3.9Å; F224-L239 HydrophobicContact CE2-CG 3.82Å
225N94.3Very high95.1Very high50 Ų5052 Ų5227%0.26729%0.29SS..  trans-70.2169.6165.368.829.7000111.9Y213 F227 V228Y213-N225 PolarHBondContact OH-ND2 2.87Å; N225-F227 PolarHBondContact O-N 3.19Å; N225-F227 VanDerWaalsContact O-N 3.09Å; N225-F227 WeakPolarHBondContact OD1-CB 3.5Å; N225-F227 PolarHBondContact OD1-N 3.24Å; N225-F227 VanDerWaalsContact OD1-N 3.09Å; N225-V228 PolarHBondContact O-N 3.39Å
226S94.7Very high95.2Very high71 Ų7152.4 Ų52.450%0.49729%0.29SS..THydrogen-bonded Turntrans-66.6-8.9-17751.30000115.2A92 A93A92-S226 WeakPolarHBondContact CB-O 3.39Å; A93-S226 PolarHBondContact N-O 3.24Å
227F94.8Very high95.2Very high56 Ų5650.9 Ų50.925%0.24628%0.276CS..THydrogen-bonded Turntrans-88.5-9.3178.2-51.8-52.9000112.7G35 A92 D187 F188 N225G35-F227 PolarHBondContact N-O 3.23Å; A92-F227 VanDerWaalsContact CB-O 3.32Å; A92-F227 WeakPolarHBondContact CB-O 3.46Å; D187-F227 HydrophobicContact CB-CD1 3.68Å; D187-F227 HydrophobicContact CB-CD2 4.34Å; D187-F227 HydrophobicContact CB-CE1 3.58Å; D187-F227 HydrophobicContact CB-CE2 4.26Å; D187-F227 HydrophobicContact CB-CG 4.07Å; D187-F227 HydrophobicContact CB-CZ 3.88Å; D187-F227 WeakPolarHBondContact O-CE2 3.49Å; D187-F227 WeakPolarHBondContact O-CZ 3.41Å; F188-F227 HydrophobicContact CD2-CB 4.45Å; F188-F227 HydrophobicContact CE1-CB 4.14Å; F188-F227 HydrophobicContact CE1-CD2 4.37Å; F188-F227 HydrophobicContact CE2-CB 3.52Å; F188-F227 HydrophobicContact CE2-CD2 4.41Å; F188-F227 HydrophobicContact CE2-CG 4.14Å; F188-F227 HydrophobicContact CZ-CB 3.34Å; F188-F227 HydrophobicContact CZ-CD2 4.28Å; F188-F227 HydrophobicContact CZ-CG 4.18Å; N225-F227 PolarHBondContact O-N 3.19Å; N225-F227 VanDerWaalsContact O-N 3.09Å; N225-F227 WeakPolarHBondContact OD1-CB 3.5Å; N225-F227 PolarHBondContact OD1-N 3.24Å; N225-F227 VanDerWaalsContact OD1-N 3.09Å
228V95.8Very high95.3Very high0 Ų050.5 Ų50.50%027%0.271CS..BIsolated β-bridgetrans-90136.2172.2-173.30000110V33 L34 L214 F224 N225 F230 A235V33-V228 HydrophobicContact CG2-CG1 4.16Å; L34-V228 HydrophobicContact CD2-CB 4.23Å; L34-V228 HydrophobicContact CD2-CG1 4.23Å; L34-V228 HydrophobicContact CD2-CG2 3.65Å; L214-V228 HydrophobicContact CD2-CG1 3.84Å; L214-V228 HydrophobicContact CD2-CG2 4.26Å; F224-V228 HydrophobicContact CB-CB 3.57Å; F224-V228 HydrophobicContact CB-CG1 4.02Å; F224-V228 HydrophobicContact CB-CG2 3.58Å; F224-V228 HydrophobicContact CD1-CB 4.42Å; F224-V228 HydrophobicContact CD1-CG1 4.27Å; F224-V228 HydrophobicContact CD1-CG2 3.92Å; F224-V228 HydrophobicContact CD2-CB 4.34Å; F224-V228 HydrophobicContact CD2-CG1 3.82Å; F224-V228 HydrophobicContact CE2-CG1 4.31Å; F224-V228 HydrophobicContact CG-CB 3.9Å; F224-V228 HydrophobicContact CG-CG1 3.79Å; F224-V228 HydrophobicContact CG-CG2 3.86Å; N225-V228 PolarHBondContact O-N 3.39Å; V228-F230 WeakPolarHBondContact O-CD2 3.31Å; V228-F230 PolarHBondContact O-N 3.25Å; V228-A235 HydrophobicContact CG1-CB 4.19Å
229R96.3Very high95.3Very high0 Ų051 Ų510%027%0.273CS..  trans-84.197.8174.5-58.9-179-168.8175.9-0.2110.6G29 R30 P32 V33 G35 P36 A92 S96 S231 W232 A235G29-R229 VanDerWaalsContact O-CZ 3.24Å; G29-R229 PolarHBondContact O-NH1 2.75Å; G29-R229 PolarHBondContact O-NH2 3.36Å; R30-R229 PolarHBondContact O-NH1 3.26Å; P32-R229 WeakPolarHBondContact O-CD 3.39Å; P32-R229 VanDerWaalsContact O-CZ 3.29Å; P32-R229 PolarHBondContact O-NE 3.24Å; P32-R229 PolarHBondContact O-NH1 3.4Å; V33-R229 WeakPolarHBondContact O-CB 3.45Å; V33-R229 WeakPolarHBondContact O-CG 3.23Å; V33-R229 PolarHBondContact O-N 2.81Å; G35-R229 VanDerWaalsContact O-CZ 3.29Å; G35-R229 PolarHBondContact O-NE 2.84Å; G35-R229 PolarHBondContact O-NH2 2.98Å; P36-R229 PolarHBondContact O-NH2 2.84Å; A92-R229 HydrophobicContact CB-CG 3.62Å; S96-R229 VanDerWaalsContact OG-CA 3.3Å; S96-R229 WeakPolarHBondContact OG-CA 3.35Å; R229-S231 PolarHBondContact O-N 2.98Å; R229-S231 VanDerWaalsContact O-N 3.11Å; R229-W232 HydrophobicContact CB-CD2 3.98Å; R229-W232 HydrophobicContact CB-CE3 3.33Å; R229-W232 HydrophobicContact CB-CZ3 3.74Å; R229-W232 VanDerWaalsContact CD-CH2 3.4Å; R229-W232 HydrophobicContact CG-CE3 4.13Å; R229-W232 HydrophobicContact CG-CZ3 4.08Å; R229-W232 VanDerWaalsContact NH1-CZ2 3.27Å; R229-W232 PolarHBondContact O-N 3.09Å; R229-W232 VanDerWaalsContact O-N 3.12Å; R229-A235 WeakPolarHBondContact O-CB 3.27Å
230F96.1Very high95.2Very high52 Ų5256 Ų5623%0.22829%0.287CS..THydrogen-bonded Turntrans-60.3-21.8179.2-74.4-107.4000113.3S96 L100 F224 V228 W232 K236 L239S96-F230 PolarHBondContact OG-N 3.18Å; L100-F230 HydrophobicContact CD1-CB 3.74Å; F224-F230 HydrophobicContact CB-CE1 4.32Å; F224-F230 HydrophobicContact CB-CE2 3.9Å; F224-F230 HydrophobicContact CB-CZ 3.65Å; F224-F230 HydrophobicContact CD2-CE1 4.32Å; F224-F230 HydrophobicContact CD2-CZ 4.44Å; F224-F230 WeakPolarHBondContact O-CZ 3.47Å; V228-F230 WeakPolarHBondContact O-CD2 3.31Å; V228-F230 PolarHBondContact O-N 3.25Å; F230-W232 VanDerWaalsContact C-N 3.26Å; F230-W232 PolarHBondContact O-N 2.81Å; F230-K236 WeakPolarHBondContact O-CG 3.47Å; F230-L239 HydrophobicContact CD1-CD1 3.54Å; F230-L239 HydrophobicContact CE1-CD1 3.89Å; F230-L239 HydrophobicContact CE1-CD2 4.42Å
231S95Very high95.2Very high12 Ų1259 Ų598%0.08429%0.293CS..THydrogen-bonded Turntrans-72.6-15.5178.155.40000114.1M99 R229 K236M99-S231 PolarHBondContact SD-OG 3.25Å; M99-S231 VanDerWaalsContact SD-OG 3.36Å; R229-S231 PolarHBondContact O-N 2.98Å; R229-S231 VanDerWaalsContact O-N 3.11Å; S231-K236 WeakPolarHBondContact O-CE 3.49Å
232W95Very high95.2Very high34 Ų3459.1 Ų59.113%0.12929%0.285CS..SBendtrans-74.2140.5179.6-94.4-120.5000111.6R30 G31 P32 V33 I95 M99 L107 R229 F230 T234 A235 K236R30-W232 VanDerWaalsContact O-CZ2 3.3Å; R30-W232 WeakPolarHBondContact O-CZ2 3.44Å; G31-W232 PolarHBondContact O-NE1 2.77Å; P32-W232 WeakPolarHBondContact O-CZ2 3.23Å; P32-W232 PolarHBondContact O-NE1 2.75Å; V33-W232 HydrophobicContact CB-CB 4.28Å; V33-W232 HydrophobicContact CB-CG 4.08Å; V33-W232 HydrophobicContact CG2-CB 3.76Å; V33-W232 HydrophobicContact CG2-CG 4.07Å; I95-W232 HydrophobicContact CG2-CH2 4.07Å; I95-W232 HydrophobicContact CG2-CZ3 3.62Å; M99-W232 HydrophobicContact SD-CZ3 4.11Å; L107-W232 HydrophobicContact CD1-CH2 4.35Å; L107-W232 HydrophobicContact CD2-CH2 3.95Å; L107-W232 HydrophobicContact CD2-CZ2 4.31Å; R229-W232 HydrophobicContact CB-CD2 3.98Å; R229-W232 HydrophobicContact CB-CE3 3.33Å; R229-W232 HydrophobicContact CB-CZ3 3.74Å; R229-W232 VanDerWaalsContact CD-CH2 3.4Å; R229-W232 HydrophobicContact CG-CE3 4.13Å; R229-W232 HydrophobicContact CG-CZ3 4.08Å; R229-W232 VanDerWaalsContact NH1-CZ2 3.27Å; R229-W232 PolarHBondContact O-N 3.09Å; R229-W232 VanDerWaalsContact O-N 3.12Å; F230-W232 VanDerWaalsContact C-N 3.26Å; F230-W232 PolarHBondContact O-N 2.81Å; W232-T234 VanDerWaalsContact C-N 3.27Å; W232-T234 PolarHBondContact O-N 3.31Å; W232-A235 HydrophobicContact CB-CB 4.49Å; W232-A235 PolarHBondContact O-N 3.38Å; W232-A235 VanDerWaalsContact O-N 3.08Å; W232-K236 WeakPolarHBondContact O-CG 3.42Å; W232-K236 PolarHBondContact O-N 3.14Å
233S93.8Very high95.2Very high92 Ų9252.4 Ų52.464%0.64326%0.259SS*.Hα-helixtrans-55.8-40.2178.751.30000112.8A235 K236 E237S233-A235 PolarHBondContact O-N 3.04Å; S233-K236 PolarHBondContact O-N 2.81Å; S233-E237 WeakPolarHBondContact O-CB 3.24Å; S233-E237 PolarHBondContact O-N 2.84Å
234T93.4Very high95.1Very high47 Ų4757 Ų5729%0.28829%0.287SS..Hα-helixtrans-61.2-43177.1-50.20000112.2P203 W232 L238P203-T234 HydrophobicContact CB-CG2 4.08Å; P203-T234 WeakPolarHBondContact CB-OG1 3.3Å; W232-T234 VanDerWaalsContact C-N 3.27Å; W232-T234 PolarHBondContact O-N 3.31Å; T234-L238 WeakPolarHBondContact O-CG 3.32Å; T234-L238 PolarHBondContact O-N 3.31Å
235A95.2Very high95.1Very high0 Ų061.3 Ų61.30%032%0.319CS..Hα-helixtrans-67.4-45.817700000110.9V33 F224 V228 R229 W232 S233 E237 L238 L239V33-A235 HydrophobicContact CG2-CB 4.12Å; F224-A235 HydrophobicContact CD2-CB 4.41Å; F224-A235 HydrophobicContact CE2-CB 3.93Å; V228-A235 HydrophobicContact CG1-CB 4.19Å; R229-A235 WeakPolarHBondContact O-CB 3.27Å; W232-A235 HydrophobicContact CB-CB 4.49Å; W232-A235 PolarHBondContact O-N 3.38Å; W232-A235 VanDerWaalsContact O-N 3.08Å; S233-A235 PolarHBondContact O-N 3.04Å; A235-E237 VanDerWaalsContact C-N 3.33Å; A235-E237 PolarHBondContact O-N 2.84Å; A235-L238 PolarHBondContact O-N 2.68Å; A235-L239 WeakPolarHBondContact O-CG 3.35Å; A235-L239 PolarHBondContact O-N 2.94Å
236K94.9Very high95Very high104 Ų10462.9 Ų62.945%0.45233%0.33SS..Hα-helixtrans-56.7-45.1176.9-68.4-176.8179.3-169.90112.6F230 S231 W232 S233 L238 L239 R240F230-K236 WeakPolarHBondContact O-CG 3.47Å; S231-K236 WeakPolarHBondContact O-CE 3.49Å; W232-K236 WeakPolarHBondContact O-CG 3.42Å; W232-K236 PolarHBondContact O-N 3.14Å; S233-K236 PolarHBondContact O-N 2.81Å; K236-L238 VanDerWaalsContact C-N 3.33Å; K236-L238 PolarHBondContact O-N 2.8Å; K236-L239 PolarHBondContact O-N 2.94Å; K236-R240 WeakPolarHBondContact O-CB 3.19Å; K236-R240 PolarHBondContact O-N 3.01Å
237E95Very high94.9Very high70 Ų7065.9 Ų65.933%0.32734%0.339SS..Hα-helixtrans-68.3-33.5-179.2-179.757.8-167.600112.3S233 A235 R240 K241S233-E237 WeakPolarHBondContact O-CB 3.24Å; S233-E237 PolarHBondContact O-N 2.84Å; A235-E237 VanDerWaalsContact C-N 3.33Å; A235-E237 PolarHBondContact O-N 2.84Å; E237-R240 IonicContact OE1-CZ 3.64Å; E237-R240 IonicContact OE1-NE 3.98Å; E237-R240 IonicContact OE1-NH2 2.65Å; E237-R240 PolarHBondContact OE1-NH2 3.42Å; E237-R240 IonicContact OE2-CZ 3.68Å; E237-R240 IonicContact OE2-NE 3.79Å; E237-R240 PolarHBondContact OE2-NE 3.25Å; E237-R240 IonicContact OE2-NH2 2.76Å; E237-R240 PolarHBondContact OE2-NH2 2.71Å; E237-K241 HydrophobicContact CG-CD 4.36Å; E237-K241 WeakPolarHBondContact O-CG 3.42Å; E237-K241 PolarHBondContact O-N 3.1Å; E237-K241 WeakPolarHBondContact OE1-CE 3.32Å; E237-K241 IonicContact OE1-NZ 2.72Å; E237-K241 PolarHBondContact OE1-NZ 3.26Å
238L94.9Very high94.7Very high23 Ų2371.2 Ų71.212%0.1236%0.358CS..Hα-helixtrans-69.1-43.3173.4-75.8170.6000112L214 Q215 V218 F224 T234 A235 K236 R240 K241 K242L214-L238 HydrophobicContact CB-CD1 3.68Å; Q215-L238 HydrophobicContact CG-CD2 4.13Å; V218-L238 HydrophobicContact CG2-CB 4.48Å; F224-L238 HydrophobicContact CE2-CB 4.43Å; F224-L238 HydrophobicContact CZ-CB 3.94Å; F224-L238 HydrophobicContact CZ-CD1 4.02Å; T234-L238 WeakPolarHBondContact O-CG 3.32Å; T234-L238 PolarHBondContact O-N 3.31Å; A235-L238 PolarHBondContact O-N 2.68Å; K236-L238 VanDerWaalsContact C-N 3.33Å; K236-L238 PolarHBondContact O-N 2.8Å; L238-R240 VanDerWaalsContact C-N 3.34Å; L238-R240 PolarHBondContact O-N 2.55Å; L238-K241 PolarHBondContact O-N 3.43Å; L238-K241 VanDerWaalsContact O-N 3.16Å; L238-K242 WeakPolarHBondContact O-CB 3.28Å; L238-K242 PolarHBondContact O-N 2.52Å
239L96Very high94.4Very high35 Ų3578.3 Ų78.318%0.18339%0.391CS..Hα-helixtrans-59.4-46.1175.4-68.2169.6000111V218 F224 F230 A235 K236 K241 K242 A243V218-L239 HydrophobicContact CG1-CD2 4.29Å; F224-L239 HydrophobicContact CD2-CD1 4.33Å; F224-L239 HydrophobicContact CD2-CD2 3.87Å; F224-L239 HydrophobicContact CD2-CG 4.1Å; F224-L239 HydrophobicContact CE2-CD1 4.36Å; F224-L239 HydrophobicContact CE2-CD2 3.9Å; F224-L239 HydrophobicContact CE2-CG 3.82Å; F230-L239 HydrophobicContact CD1-CD1 3.54Å; F230-L239 HydrophobicContact CE1-CD1 3.89Å; F230-L239 HydrophobicContact CE1-CD2 4.42Å; A235-L239 WeakPolarHBondContact O-CG 3.35Å; A235-L239 PolarHBondContact O-N 2.94Å; K236-L239 PolarHBondContact O-N 2.94Å; L239-K241 PolarHBondContact O-N 3.45Å; L239-K242 PolarHBondContact O-N 2.85Å; L239-A243 HydrophobicContact CB-CB 4.49Å; L239-A243 HydrophobicContact CD2-CB 4.11Å; L239-A243 WeakPolarHBondContact O-CA 3.48Å; L239-A243 VanDerWaalsContact O-CB 3.31Å; L239-A243 WeakPolarHBondContact O-CB 3.4Å; L239-A243 PolarHBondContact O-N 2.77Å
240R94.6Very high93.9Very high171 Ų17180.7 Ų80.765%0.64540%0.404SS*.Hα-helixtrans-58.5-32.6177-167.7-172.469.178.5-0.8113.3K236 E237 L238K236-R240 WeakPolarHBondContact O-CB 3.19Å; K236-R240 PolarHBondContact O-N 3.01Å; E237-R240 IonicContact OE1-CZ 3.64Å; E237-R240 IonicContact OE1-NE 3.98Å; E237-R240 IonicContact OE1-NH2 2.65Å; E237-R240 PolarHBondContact OE1-NH2 3.42Å; E237-R240 IonicContact OE2-CZ 3.68Å; E237-R240 IonicContact OE2-NE 3.79Å; E237-R240 PolarHBondContact OE2-NE 3.25Å; E237-R240 IonicContact OE2-NH2 2.76Å; E237-R240 PolarHBondContact OE2-NH2 2.71Å; L238-R240 VanDerWaalsContact C-N 3.34Å; L238-R240 PolarHBondContact O-N 2.55Å
241K95.3Very high93.1Very high137 Ų13781.7 Ų81.760%0.59641%0.411SS*.Hα-helixtrans-88-32.6-176.8-79.3173.1165149.60113.9E237 L238 L239E237-K241 HydrophobicContact CG-CD 4.36Å; E237-K241 WeakPolarHBondContact O-CG 3.42Å; E237-K241 PolarHBondContact O-N 3.1Å; E237-K241 WeakPolarHBondContact OE1-CE 3.32Å; E237-K241 IonicContact OE1-NZ 2.72Å; E237-K241 PolarHBondContact OE1-NZ 3.26Å; L238-K241 PolarHBondContact O-N 3.43Å; L238-K241 VanDerWaalsContact O-N 3.16Å; L239-K241 PolarHBondContact O-N 3.45Å
242K95.7Very high91.5Very high106 Ų10687.3 Ų87.346%0.46144%0.436SS..Hα-helixtrans-120.8-23.6-167-65-165.4176.6-161.70114.6Q215 V218 L238 L239Q215-K242 PolarHBondContact O-NZ 3.33Å; V218-K242 HydrophobicContact CB-CB 4.23Å; V218-K242 HydrophobicContact CB-CD 4.44Å; V218-K242 HydrophobicContact CG1-CB 3.94Å; V218-K242 HydrophobicContact CG2-CB 4.45Å; V218-K242 HydrophobicContact CG2-CD 4.19Å; L238-K242 WeakPolarHBondContact O-CB 3.28Å; L238-K242 PolarHBondContact O-N 2.52Å; L239-K242 PolarHBondContact O-N 2.85Å
243A95.8Very high89.5Confident23 Ų2392.7 Ų92.719%0.1946%0.463CS..SBendtrans-96.9164.5178.600000111.3V218 L239V218-A243 HydrophobicContact CG1-CB 4.24Å; L239-A243 HydrophobicContact CB-CB 4.49Å; L239-A243 HydrophobicContact CD2-CB 4.11Å; L239-A243 WeakPolarHBondContact O-CA 3.48Å; L239-A243 VanDerWaalsContact O-CB 3.31Å; L239-A243 WeakPolarHBondContact O-CB 3.4Å; L239-A243 PolarHBondContact O-N 2.77Å
244V95.8Very high87.5Confident98 Ų9895.1 Ų95.159%0.59446%0.464SS*.PPolyproline II helixtrans-67.8141.6172.9178.10000109.2P220 V246P220-V244 WeakPolarHBondContact O-CB 3.36Å; P220-V244 WeakPolarHBondContact O-CG2 3.4Å; P220-V244 PolarHBondContact O-N 3.31Å; V244-V246 PolarHBondContact O-N 3.44Å
245S93.9Very high85.2Confident107 Ų10796.9 Ų96.975%0.74848%0.478SS*.PPolyproline II helixtrans-65.6128.8177.1-169.20000110.5
246V93.7Very high82.4Confident82 Ų82104.1 Ų104.150%0.49751%0.51SS..  trans-113.1136.2173.6-177.90000108V244 W248V244-V246 PolarHBondContact O-N 3.44Å; V246-W248 HydrophobicContact CG1-CD2 4.31Å; V246-W248 HydrophobicContact CG1-CZ2 3.89Å
247I91.9Very high79.7Confident135 Ų135104.4 Ų104.469%0.69252%0.522SS*.  trans-112.9122.4176.2-56.8172.9000107.2
248W91.5Very high77.1Confident168 Ų168107.8 Ų107.864%0.63655%0.548SS*.  trans-97.5156.2175.5-59.296.5000110.9V246 D250 D251V246-W248 HydrophobicContact CG1-CD2 4.31Å; V246-W248 HydrophobicContact CG1-CZ2 3.89Å; W248-D250 VanDerWaalsContact CB-OD1 3.31Å; W248-D250 WeakPolarHBondContact CB-OD1 3.42Å; W248-D250 PolarHBondContact O-N 3.47Å; W248-D251 PolarHBondContact N-OD2 3.17Å; W248-D251 WeakPolarHBondContact O-CB 3.49Å; W248-D251 PolarHBondContact O-N 3.2Å; W248-D251 VanDerWaalsContact O-N 3.13Å
249E89.5Confident74.6Confident148 Ų148110 Ų11069%0.69258%0.576SS**THydrogen-bonded Turntrans-56.9-32.2-179.4-65.7178.617600112.9R102R102-E249 IonicContact CZ-OE2 3.52Å; R102-E249 IonicContact NH1-OE2 3.86Å; R102-E249 IonicContact NH2-OE2 3.25Å; R102-E249 PolarHBondContact NH2-OE2 3.27Å
250D85.8Confident72Confident51 Ų51112.9 Ų112.927%0.27359%0.592SS.*THydrogen-bonded Turntrans-87.8-11.1-178.151.2-34.7000114.3W248 E252 E253W248-D250 VanDerWaalsContact CB-OD1 3.31Å; W248-D250 WeakPolarHBondContact CB-OD1 3.42Å; W248-D250 PolarHBondContact O-N 3.47Å; D250-E252 PolarHBondContact O-N 2.98Å; D250-E253 PolarHBondContact O-N 3.4Å
251D78.8Confident70.2Confident72 Ų72110.6 Ų110.639%0.38559%0.591SS.*Hα-helixtrans-63.2-31175.4-70.3-28.9000111.3W248W248-D251 PolarHBondContact N-OD2 3.17Å; W248-D251 WeakPolarHBondContact O-CB 3.49Å; W248-D251 PolarHBondContact O-N 3.2Å; W248-D251 VanDerWaalsContact O-N 3.13Å
252E60.4Low68.2Low131 Ų131113.1 Ų113.161%0.61260%0.597SS**Hα-helixtrans-72.9-30.3177.3-67.2-167174.700112.9D250 S255D250-E252 PolarHBondContact O-N 2.98Å; E252-S255 PolarHBondContact O-N 3.2Å; E252-S255 PolarHBondContact O-OG 3.18Å
253E54.4Low66.2Low147 Ų147113 Ų11369%0.68761%0.605SS**Hα-helixtrans-71.1-35.2-178.6-68.6-165.8159.700112.2D250 S255D250-E253 PolarHBondContact O-N 3.4Å; E253-S255 PolarHBondContact O-N 3.36Å
254E51.9Low64Low143 Ų143120.4 Ų120.467%0.66863%0.633SS**Hα-helixtrans-68.2-23.9175.5-68-162.5158.500112.9K104K104-E254 WeakPolarHBondContact CE-OE1 3.38Å; K104-E254 IonicContact NZ-OE1 2.71Å; K104-E254 PolarHBondContact NZ-OE1 2.96Å
255S44.8Very low61.9Low84 Ų84124 Ų12459%0.58764%0.641SS**THydrogen-bonded Turntrans-86.3-11.6-176.377.60000114.4E252 E253 P257E252-S255 PolarHBondContact O-N 3.2Å; E252-S255 PolarHBondContact O-OG 3.18Å; E253-S255 PolarHBondContact O-N 3.36Å; S255-P257 WeakPolarHBondContact O-CD 3.38Å; S255-P257 VanDerWaalsContact O-N 3.16Å
256K36.5Very low59.8Low152 Ų152122.5 Ų122.566%0.66164%0.635SS**  trans-72.4106.9177.8-76.2179.2-177.1164.90109.1T258K256-T258 PolarHBondContact O-N 3.48Å
257P37.5Very low57.5Low109 Ų109122 Ų12271%0.70865%0.647SS**  trans-62.9135.7164.84.613.1000105.6S255 G259S255-P257 WeakPolarHBondContact O-CD 3.38Å; S255-P257 VanDerWaalsContact O-N 3.16Å; P257-G259 WeakPolarHBondContact O-CA 3.42Å; P257-G259 PolarHBondContact O-N 3.48Å
258T40.1Very low55.1Low142 Ų142125.2 Ų125.287%0.87166%0.656SS**SBendtrans-35.711116640.50000109.1K256 D260K256-T258 PolarHBondContact O-N 3.48Å; T258-D260 PolarHBondContact O-N 3.37Å
259G42.5Very low52.8Low69 Ų69124.2 Ų124.271%0.71166%0.663SS**  trans-47.9123.4-159.700000112.7P257 I261P257-G259 WeakPolarHBondContact O-CA 3.42Å; P257-G259 PolarHBondContact O-N 3.48Å; G259-I261 PolarHBondContact O-N 3.08Å; G259-I261 VanDerWaalsContact O-N 3.12Å
260D42.1Very low50.5Low95 Ų95126.4 Ų126.451%0.50867%0.673SS.*  trans-64.3113.8172.4-166.3-6.4000108T258 R262 T263T258-D260 PolarHBondContact O-N 3.37Å; D260-R262 PolarHBondContact O-N 3.03Å; D260-R262 WeakPolarHBondContact OD1-CG 3.35Å; D260-T263 PolarHBondContact O-N 3.13Å; D260-T263 PolarHBondContact O-OG1 3.33Å
261I56.2Low48.2Very low123 Ų123128.6 Ų128.663%0.63169%0.693SS**G310 helixtrans-55.6-16.3-174.3-139.3165000112.2G259 T263 F264 F265G259-I261 PolarHBondContact O-N 3.08Å; G259-I261 VanDerWaalsContact O-N 3.12Å; I261-T263 VanDerWaalsContact C-N 3.25Å; I261-T263 PolarHBondContact O-N 2.88Å; I261-F264 PolarHBondContact O-N 2.92Å; I261-F265 WeakPolarHBondContact O-CD2 3.47Å
262R53.4Low46.5Very low191 Ų191133.9 Ų133.972%0.72171%0.712SS**G310 helixtrans-63.7-25.5175.1-65.6176.4177.7-179.70.1113.6D260 F264 F265D260-R262 PolarHBondContact O-N 3.03Å; D260-R262 WeakPolarHBondContact OD1-CG 3.35Å; R262-F264 PolarHBondContact O-N 3.32Å; R262-F265 PolarHBondContact O-N 2.88Å
263T54.4Low45.7Very low102 Ų102133.4 Ų133.463%0.62672%0.723SS**G310 helixtrans-69.6-20.9175.452.80000113.3D260 I261 F265D260-T263 PolarHBondContact O-N 3.13Å; D260-T263 PolarHBondContact O-OG1 3.33Å; I261-T263 VanDerWaalsContact C-N 3.25Å; I261-T263 PolarHBondContact O-N 2.88Å; T263-F265 VanDerWaalsContact C-N 3.34Å
264F47.9Very low45.6Very low180 Ų180137.5 Ų137.579%0.78973%0.733SS**G310 helixtrans-78.7-15.2172.6-81.6-90.5000113.8I261 R262I261-F264 PolarHBondContact O-N 2.92Å; R262-F264 PolarHBondContact O-N 3.32Å
265F51.9Low45.8Very low173 Ų173140.1 Ų140.176%0.75974%0.742SS**SBendtrans-105.2-1.1-178.2-71.5-80.4000114.1I261 R262 T263 G267I261-F265 WeakPolarHBondContact O-CD2 3.47Å; R262-F265 PolarHBondContact O-N 2.88Å; T263-F265 VanDerWaalsContact C-N 3.34Å; F265-G267 PolarHBondContact O-N 3.32Å
266A50.6Low46.4Very low76 Ų76147.6 Ų147.663%0.62876%0.757SS**SBendtrans-73.3111.6171.100000109.2K268A266-K268 PolarHBondContact O-N 3.34Å
267G45.7Very low47.6Very low72 Ų72146.4 Ų146.474%0.74275%0.752SS**  trans-52.4136.3-178.600000112.6F265 D269F265-G267 PolarHBondContact O-N 3.32Å; G267-D269 PolarHBondContact O-N 3.44Å; G267-D269 VanDerWaalsContact O-N 3.1Å
268K41.9Very low49.6Very low201 Ų201149.6 Ų149.687%0.87475%0.751SS**  trans-65.2107.5171.4-80.9178.2174.9174.90109A266 E270A266-K268 PolarHBondContact O-N 3.34Å; K268-E270 PolarHBondContact O-N 2.92Å
269D42.8Very low51.8Low148 Ų148147.2 Ų147.279%0.79174%0.736SS**  trans-65107.9161.3-101.8-37.1000109.2G267 S271G267-D269 PolarHBondContact O-N 3.44Å; G267-D269 VanDerWaalsContact O-N 3.1Å; D269-S271 PolarHBondContact O-N 3.15Å; D269-S271 VanDerWaalsContact O-N 3.12Å
270E40.8Very low54.1Low193 Ų193149 Ų14990%0.90272%0.724SS**  trans-77.624.7178.5-72.7-165.9145.600113.9K268K268-E270 PolarHBondContact O-N 2.92Å
271S38.5Very low56.4Low98 Ų98148.8 Ų148.869%0.68572%0.719SS**  trans-106.715.4-170.664.20000116.1D269D269-S271 PolarHBondContact O-N 3.15Å; D269-S271 VanDerWaalsContact O-N 3.12Å
272K43.2Very low57.9Low183 Ų183149.3 Ų149.380%0.79672%0.719SS**  trans-124.4104167.6-73.2-178.1-179.4175.70110.6R274K272-R274 PolarHBondContact O-N 2.87Å
273S43.5Very low59.7Low121 Ų121146.9 Ų146.985%0.84672%0.716SS**  trans-6483162.474.10000108.8K275S273-K275 PolarHBondContact O-N 2.87Å
274R51.9Low61.5Low233 Ų233148.1 Ų148.188%0.87971%0.709SS**  trans-61.3107.2163.7-95.8177.9166.5167.1-4.8105.7K272 R276K272-R274 PolarHBondContact O-N 2.87Å; R274-R276 PolarHBondContact O-N 3.22Å
275K56.6Low63.5Low197 Ų197145 Ų14586%0.85771%0.709SS**  trans-44.6119.7163.2-73.3179.7177.1178.10106S273 K277S273-K275 PolarHBondContact O-N 2.87Å; K275-K277 VanDerWaalsContact C-N 3.35Å; K275-K277 PolarHBondContact O-N 3.01Å
276R56Low65.3Low242 Ų242140.9 Ų140.991%0.91369%0.694SS**  trans-55.3102.7174.8-83.8179.7170.9176.5-3.3106.6R274 Y278R274-R276 PolarHBondContact O-N 3.22Å; R276-Y278 PolarHBondContact O-N 2.7Å
277K62.6Low67.1Low126 Ų126144 Ų14455%0.54870%0.696SS.*  trans-59132.9167.1-78.2-175173.4-179.50105.4K275 V279 E287K275-K277 VanDerWaalsContact C-N 3.35Å; K275-K277 PolarHBondContact O-N 3.01Å; K277-V279 PolarHBondContact O-N 3Å; K277-E287 IonicContact NZ-OE1 3.33Å; K277-E287 PolarHBondContact NZ-OE1 2.76Å
278Y78.6Confident69Low177 Ų177145.4 Ų145.469%0.69469%0.694SS**  trans-62.1133.6177.4-65.5-92.3000108.1R276 F280 F281 E282R276-Y278 PolarHBondContact O-N 2.7Å; Y278-F280 PolarHBondContact O-N 3.44Å; Y278-F281 HydrophobicContact CD2-CD2 4.18Å; Y278-F281 AromaticContact CD2-CE2 3.92Å; Y278-F281 HydrophobicContact CD2-CE2 3.92Å; Y278-F281 HydrophobicContact CG-CD2 4.41Å; Y278-F281 HydrophobicContact CG-CE2 4.32Å; Y278-F281 PolarHBondContact O-N 3.36Å; Y278-E282 PolarHBondContact O-N 3.15Å
279V86.2Confident71.3Confident91 Ų91140.1 Ų140.155%0.55268%0.679SS**Hα-helixtrans-47.7-38.4-179.5177.80000111.3K277 F281 E282 E283K277-V279 PolarHBondContact O-N 3Å; V279-F281 VanDerWaalsContact C-N 3.32Å; V279-F281 PolarHBondContact O-N 3.44Å; V279-E282 PolarHBondContact O-N 3.34Å; V279-E283 HydrophobicContact CG1-CG 3.91Å; V279-E283 WeakPolarHBondContact CG1-OE1 2.99Å; V279-E283 WeakPolarHBondContact O-CB 3.31Å; V279-E283 WeakPolarHBondContact O-CG 3.32Å; V279-E283 PolarHBondContact O-N 3.41Å
280F90.5Very high73.4Confident108 Ų108139.2 Ų139.247%0.47468%0.679SS.*Hα-helixtrans-50.8-44.7176.1177.5-94.2000114.4Y278 R284Y278-F280 PolarHBondContact O-N 3.44Å; F280-R284 WeakPolarHBondContact O-CD 2.93Å; F280-R284 PolarHBondContact O-NH1 3.44Å
281F90.4Very high75.5Confident89 Ų89138.2 Ų138.239%0.3967%0.674SS.*Hα-helixtrans-78.1-36.8-178-63.4-66.7000111.9Y278 V279 R284 S285 I286Y278-F281 HydrophobicContact CD2-CD2 4.18Å; Y278-F281 AromaticContact CD2-CE2 3.92Å; Y278-F281 HydrophobicContact CD2-CE2 3.92Å; Y278-F281 HydrophobicContact CG-CD2 4.41Å; Y278-F281 HydrophobicContact CG-CE2 4.32Å; Y278-F281 PolarHBondContact O-N 3.36Å; V279-F281 VanDerWaalsContact C-N 3.32Å; V279-F281 PolarHBondContact O-N 3.44Å; F281-R284 PolarHBondContact O-N 3.21Å; F281-S285 PolarHBondContact O-N 2.87Å; F281-S285 VanDerWaalsContact O-N 3.1Å; F281-I286 HydrophobicContact CD1-CB 4.16Å; F281-I286 HydrophobicContact CD1-CG2 4.08Å; F281-I286 PolarHBondContact O-N 2.92Å
282E87.7Confident77.5Confident135 Ų135145.7 Ų145.763%0.63170%0.695SS**Hα-helixtrans-66.8-47.2179.3-172.7169.8-16000111.3Y278 V279 R284 S285Y278-E282 PolarHBondContact O-N 3.15Å; V279-E282 PolarHBondContact O-N 3.34Å; E282-R284 PolarHBondContact O-N 3.5Å; E282-R284 VanDerWaalsContact O-N 3.15Å; E282-S285 PolarHBondContact O-N 2.94Å
283E91.2Very high79.3Confident140 Ų140143.9 Ų143.965%0.65469%0.69SS**THydrogen-bonded Turntrans-63.2-21.1177.4-72.6179.9167.300113.9V279V279-E283 HydrophobicContact CG1-CG 3.91Å; V279-E283 WeakPolarHBondContact CG1-OE1 2.99Å; V279-E283 WeakPolarHBondContact O-CB 3.31Å; V279-E283 WeakPolarHBondContact O-CG 3.32Å; V279-E283 PolarHBondContact O-N 3.41Å
284R92.8Very high81.1Confident128 Ų128145.1 Ų145.148%0.48368%0.681SS.*THydrogen-bonded Turntrans-107.33.3-177.2-71168.2-179.265.66.3112.9F280 F281 E282 I286F280-R284 WeakPolarHBondContact O-CD 2.93Å; F280-R284 PolarHBondContact O-NH1 3.44Å; F281-R284 PolarHBondContact O-N 3.21Å; E282-R284 PolarHBondContact O-N 3.5Å; E282-R284 VanDerWaalsContact O-N 3.15Å; R284-I286 HydrophobicContact CB-CD1 3.8Å; R284-I286 HydrophobicContact CB-CG1 3.89Å; R284-I286 PolarHBondContact O-N 3.16Å
285S89.2Confident82.8Confident113 Ų113140.2 Ų140.279%0.7967%0.67SS**THydrogen-bonded Turntrans52.138.3-176.6-54.30000113.1F281 E282F281-S285 PolarHBondContact O-N 2.87Å; F281-S285 VanDerWaalsContact O-N 3.1Å; E282-S285 PolarHBondContact O-N 2.94Å
286I91.1Very high84.3Confident87 Ų87136.8 Ų136.845%0.44666%0.66SS.*  trans-98.5122.1179.5-60.8173.1000109.1F281 R284F281-I286 HydrophobicContact CD1-CB 4.16Å; F281-I286 HydrophobicContact CD1-CG2 4.08Å; F281-I286 PolarHBondContact O-N 2.92Å; R284-I286 HydrophobicContact CB-CD1 3.8Å; R284-I286 HydrophobicContact CB-CG1 3.89Å; R284-I286 PolarHBondContact O-N 3.16Å
287E87.7Confident86.1Confident141 Ų141130.3 Ų130.366%0.65964%0.644SS**  trans-125.3152.6177.3-53.4-154.9138.900111.6K277 V289K277-E287 IonicContact NZ-OE1 3.33Å; K277-E287 PolarHBondContact NZ-OE1 2.76Å; E287-V289 PolarHBondContact O-N 3.26Å
288S86.6Confident87.6Confident103 Ų103130.5 Ų130.572%0.7265%0.65SS**  trans-70.6126.8174.654.90000110.1T290S288-T290 PolarHBondContact O-N 2.72Å
289V88.7Confident88.3Confident90 Ų90127.2 Ų127.255%0.54565%0.647SS.*  trans-67.5117.6174.8-175.30000109.2E287 E291 F292E287-V289 PolarHBondContact O-N 3.26Å; V289-E291 WeakPolarHBondContact CG1-O 3.43Å; V289-F292 HydrophobicContact CB-CE1 4.3Å; V289-F292 HydrophobicContact CB-CE2 4.25Å; V289-F292 HydrophobicContact CB-CZ 3.93Å; V289-F292 HydrophobicContact CG1-CD1 3.91Å; V289-F292 HydrophobicContact CG1-CD2 3.97Å; V289-F292 HydrophobicContact CG1-CE1 3.71Å; V289-F292 HydrophobicContact CG1-CE2 3.77Å; V289-F292 HydrophobicContact CG1-CG 4.04Å; V289-F292 HydrophobicContact CG1-CZ 3.63Å; V289-F292 HydrophobicContact CG2-CE1 4.46Å; V289-F292 HydrophobicContact CG2-CZ 4.4Å
290T87.7Confident88.4Confident128 Ų128130 Ų13079%0.78565%0.654SS**  trans-98.7-21.5178.650.80000113S288S288-T290 PolarHBondContact O-N 2.72Å
291E84.7Confident88.3Confident172 Ų172131.8 Ų131.880%0.80467%0.669SS**  trans-144.9140.6177.4-66.8-177.3169.100108.8V289V289-E291 WeakPolarHBondContact CG1-O 3.43Å
292F81.5Confident88.1Confident256 Ų256135.7 Ų135.7100%1.12370%0.695SS**  trans-112.60177.4-75.7-82.5000110.4V289V289-F292 HydrophobicContact CB-CE1 4.3Å; V289-F292 HydrophobicContact CB-CE2 4.25Å; V289-F292 HydrophobicContact CB-CZ 3.93Å; V289-F292 HydrophobicContact CG1-CD1 3.91Å; V289-F292 HydrophobicContact CG1-CD2 3.97Å; V289-F292 HydrophobicContact CG1-CE1 3.71Å; V289-F292 HydrophobicContact CG1-CE2 3.77Å; V289-F292 HydrophobicContact CG1-CG 4.04Å; V289-F292 HydrophobicContact CG1-CZ 3.63Å; V289-F292 HydrophobicContact CG2-CE1 4.46Å; V289-F292 HydrophobicContact CG2-CZ 4.4Å

Retrieved 292 of 292 residues in 86.3 ms (Link to these results)

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