A0A087XIN4_POEFO Loading...

Muscle-specific beta 1 integrin binding protein 2

AlphaFold DB , UniProt , Accession A0A087XIN4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 206 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
1M88.9Confident96.5Very high62 Ų6217.1 Ų17.131%0.3058%0.082SC..  0146.60-173.2175.88500110.3Y3 E104 T105 H106 I202 L206M1-Y3 HydrophobicContact CE-CD2 3.81Å; M1-Y3 HydrophobicContact CE-CG 4.23Å; M1-E104 PolarHBondContact N-O 3.46Å; M1-T105 HydrophobicContact CB-CG2 4.44Å; M1-T105 HydrophobicContact CE-CG2 3.73Å; M1-T105 WeakPolarHBondContact O-CA 3.49Å; M1-H106 PolarHBondContact O-N 3.01Å; M1-I202 HydrophobicContact CE-CB 4.27Å; M1-I202 HydrophobicContact CE-CG1 4.18Å; M1-I202 HydrophobicContact CE-CG2 3.75Å; M1-L206 HydrophobicContact CB-CD2 4.49Å; M1-L206 HydrophobicContact CE-CD2 4.47Å; M1-L206 HydrophobicContact SD-CD2 3.82Å; M1-L206 HydrophobicContact SD-CG 4.43Å
2K94.4Very high96.2Very high92 Ų9217.7 Ų17.740%0.49%0.086SC..EExtended strand (participates in β ladder)trans-111.9127.7172.4-66.7168.1-176.2167.70108.5W72 L73 D74 P76K2-W72 HydrophobicContact CB-CH2 3.89Å; K2-W72 HydrophobicContact CB-CZ3 3.97Å; K2-W72 HydrophobicContact CG-CH2 4.34Å; K2-W72 HydrophobicContact CG-CZ3 4.42Å; K2-L73 HydrophobicContact CD-CD2 4.35Å; K2-L73 WeakPolarHBondContact CD-O 3.39Å; K2-L73 VanDerWaalsContact CE-O 3.27Å; K2-L73 WeakPolarHBondContact CE-O 3.41Å; K2-L73 PolarHBondContact NZ-O 2.63Å; K2-D74 PolarHBondContact NZ-O 3.31Å; K2-P76 HydrophobicContact CD-CG 4.13Å; K2-P76 HydrophobicContact CG-CG 3.95Å
3Y96.6Very high96.1Very high7 Ų716.5 Ų16.53%0.0278%0.081CC..EExtended strand (participates in β ladder)trans-134118.8-176.5-160.1-96.7000111.3M1 I5 H106 I107 L108 N126 Q127 K201 I202M1-Y3 HydrophobicContact CE-CD2 3.81Å; M1-Y3 HydrophobicContact CE-CG 4.23Å; Y3-I5 HydrophobicContact CD1-CD1 4.01Å; Y3-I5 HydrophobicContact CD1-CG1 3.68Å; Y3-I5 HydrophobicContact CE1-CD1 4.07Å; Y3-I5 HydrophobicContact CE1-CG1 3.69Å; Y3-H106 PolarHBondContact N-O 3.27Å; Y3-I107 CarbonylContact O-C 3.58Å; Y3-I107 VanDerWaalsContact O-CA 3.31Å; Y3-I107 WeakPolarHBondContact O-CA 3.4Å; Y3-L108 PolarHBondContact O-N 2.85Å; Y3-N126 WeakPolarHBondContact CA-OD1 3.35Å; Y3-N126 HydrophobicContact CD2-CB 3.86Å; Y3-N126 HydrophobicContact CE1-CB 4.34Å; Y3-N126 HydrophobicContact CE2-CB 3.63Å; Y3-N126 HydrophobicContact CG-CB 4.31Å; Y3-Q127 HydrophobicContact CE1-CB 4.15Å; Y3-Q127 PolarHBondContact OH-OE1 2.8Å; Y3-K201 VanDerWaalsContact OH-CB 3.24Å; Y3-K201 WeakPolarHBondContact OH-CB 3.31Å; Y3-I202 HydrophobicContact CD1-CD1 4.02Å; Y3-I202 HydrophobicContact CD1-CG1 3.81Å; Y3-I202 HydrophobicContact CD2-CG1 4.08Å; Y3-I202 HydrophobicContact CE1-CD1 4.34Å; Y3-I202 HydrophobicContact CE1-CG1 3.84Å; Y3-I202 HydrophobicContact CE2-CG1 4.12Å; Y3-I202 HydrophobicContact CG-CD1 4.34Å; Y3-I202 HydrophobicContact CG-CG1 3.92Å
4I98.1Very high96Very high2 Ų217.1 Ų17.11%0.019%0.094CC..EExtended strand (participates in β ladder)trans-110.2127.3-176.9-48.6-176.3000110.3I69 W72 L73 L108 V110 V124 F125 N126 Q127I4-I69 HydrophobicContact CD1-CG2 4.11Å; I4-W72 HydrophobicContact CD1-CE3 4.18Å; I4-W72 HydrophobicContact CD1-CZ3 3.86Å; I4-W72 HydrophobicContact CG1-CE3 4.23Å; I4-W72 HydrophobicContact CG1-CH2 4.19Å; I4-W72 HydrophobicContact CG1-CZ3 3.53Å; I4-L73 HydrophobicContact CD1-CD1 3.99Å; I4-L73 HydrophobicContact CD1-CD2 3.77Å; I4-L73 HydrophobicContact CD1-CG 3.83Å; I4-L108 CarbonylContact C-O 3.53Å; I4-L108 WeakPolarHBondContact CA-O 3.13Å; I4-L108 HydrophobicContact CD1-CD2 4.47Å; I4-L108 HydrophobicContact CG1-CB 4.27Å; I4-L108 HydrophobicContact CG2-CB 4.27Å; I4-L108 HydrophobicContact CG2-CD2 4.25Å; I4-L108 HydrophobicContact CG2-CG 4.45Å; I4-V110 HydrophobicContact CG2-CG2 3.96Å; I4-V124 HydrophobicContact CD1-CB 4.27Å; I4-F125 HydrophobicContact CB-CD1 4.45Å; I4-F125 HydrophobicContact CG2-CD1 3.63Å; I4-F125 HydrophobicContact CG2-CE1 3.96Å; I4-N126 PolarHBondContact N-OD1 3.5Å; I4-N126 PolarHBondContact O-N 3.39Å; I4-Q127 PolarHBondContact O-N 3.3Å
5I98.6Very high96Very high0 Ų017.3 Ų17.30%09%0.094CC..EExtended strand (participates in β ladder)trans-116.2120.1-177.1-55.8170.2000108.7Y3 I7 I107 L108 I109 V110 Q127 Y129 I198Y3-I5 HydrophobicContact CD1-CD1 4.01Å; Y3-I5 HydrophobicContact CD1-CG1 3.68Å; Y3-I5 HydrophobicContact CE1-CD1 4.07Å; Y3-I5 HydrophobicContact CE1-CG1 3.69Å; I5-I7 HydrophobicContact CG2-CG1 4.19Å; I5-I107 HydrophobicContact CD1-CG2 3.75Å; I5-I107 HydrophobicContact CG1-CG2 4.45Å; I5-L108 PolarHBondContact N-O 2.74Å; I5-I109 HydrophobicContact CB-CG1 4.4Å; I5-I109 HydrophobicContact CD1-CG1 4.49Å; I5-I109 CarbonylContact O-C 3.56Å; I5-I109 WeakPolarHBondContact O-CA 3.47Å; I5-V110 PolarHBondContact O-N 2.86Å; I5-Q127 CarbonylContact C-O 3.59Å; I5-Q127 WeakPolarHBondContact CA-O 3.29Å; I5-Y129 HydrophobicContact CG2-CD2 3.71Å; I5-Y129 HydrophobicContact CG2-CE2 3.62Å; I5-I198 HydrophobicContact CD1-CD1 3.74Å; I5-I198 HydrophobicContact CD1-CG1 3.87Å; I5-I198 HydrophobicContact CD1-CG2 3.82Å
6G98.6Very high95.9Very high0 Ų018.9 Ų18.90%011%0.105CC..EExtended strand (participates in β ladder)trans-83.6128.116700000111.1V110 Y116 Q127 Y129G6-V110 CarbonylContact C-O 3.58Å; G6-V110 WeakPolarHBondContact CA-O 3.4Å; G6-Y116 PolarHBondContact O-OH 2.67Å; G6-Q127 PolarHBondContact N-O 2.74Å; G6-Y129 PolarHBondContact O-N 3.16Å
7I98.7Very high95.9Very high0 Ų021.4 Ų21.40%012%0.12CC..EExtended strand (participates in β ladder)trans-116.887.7167.4-57.6-177.5000107.7I5 K15 L18 L22 I109 V110 E111 G112 Y129I5-I7 HydrophobicContact CG2-CG1 4.19Å; I7-K15 HydrophobicContact CG2-CB 4.1Å; I7-K15 HydrophobicContact CG2-CG 4.19Å; I7-L18 HydrophobicContact CD1-CD2 4.42Å; I7-L22 HydrophobicContact CD1-CD1 3.68Å; I7-I109 HydrophobicContact CD1-CG2 3.7Å; I7-I109 HydrophobicContact CG1-CG2 4.02Å; I7-V110 PolarHBondContact N-O 3.01Å; I7-E111 HydrophobicContact CB-CB 4.22Å; I7-E111 WeakPolarHBondContact O-CA 3.24Å; I7-G112 PolarHBondContact O-N 2.92Å; I7-G112 VanDerWaalsContact O-N 3.15Å; I7-Y129 HydrophobicContact CG1-CD2 4.25Å
8G98.3Very high96Very high1 Ų120.5 Ų20.51%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-90.5176.6177.900000112.7G112 Y116 Y129 M131G8-G112 VanDerWaalsContact CA-O 3.28Å; G8-G112 WeakPolarHBondContact CA-O 3.29Å; G8-Y116 PolarHBondContact N-OH 2.84Å; G8-Y129 PolarHBondContact N-O 3.38Å; G8-M131 PolarHBondContact O-N 3.15Å
9G97.5Very high96.1Very high1 Ų119.4 Ų19.41%0.0111%0.109CC..EExtended strand (participates in β ladder)trans128.3-175.2169.100000114.8K15 F113 M131G9-K15 PolarHBondContact O-NZ 3.49Å; G9-F113 VanDerWaalsContact O-CA 3.32Å; G9-F113 WeakPolarHBondContact O-CA 3.34Å; G9-F113 VanDerWaalsContact O-CB 3.28Å; G9-F113 WeakPolarHBondContact O-CB 3.39Å; G9-M131 CarbonylContact C-O 3.52Å; G9-M131 WeakPolarHBondContact CA-O 3.3Å
10V97.4Very high96.1Very high0 Ų024.9 Ų24.90%013%0.131CC..  trans-58.7148.1-171.470.70000113.5G13 K15 M131 I133 W161 Y164V10-G13 PolarHBondContact O-N 3.27Å; V10-K15 PolarHBondContact O-NZ 2.84Å; V10-M131 WeakPolarHBondContact CG1-O 3.17Å; V10-M131 PolarHBondContact N-O 3.08Å; V10-I133 HydrophobicContact CG1-CD1 4.39Å; V10-I133 HydrophobicContact CG1-CG1 3.69Å; V10-W161 HydrophobicContact CG2-CZ3 4.03Å; V10-Y164 HydrophobicContact CB-CD2 3.91Å; V10-Y164 HydrophobicContact CB-CE1 4.5Å; V10-Y164 HydrophobicContact CB-CE2 3.47Å; V10-Y164 VanDerWaalsContact CB-CE2 3.47Å; V10-Y164 HydrophobicContact CG2-CD1 4.17Å; V10-Y164 HydrophobicContact CG2-CD2 3.82Å; V10-Y164 HydrophobicContact CG2-CE1 4.15Å; V10-Y164 HydrophobicContact CG2-CE2 3.78Å; V10-Y164 HydrophobicContact CG2-CG 4.01Å
11T94.1Very high96.1Very high23 Ų2327.3 Ų27.314%0.14114%0.139CC..THydrogen-bonded Turntrans-55.2146.7169-169.20000111.1G13 C138 V160T11-G13 PolarHBondContact O-N 3.13Å; T11-C138 PolarHBondContact O-SG 2.91Å; T11-V160 HydrophobicContact CG2-CG1 3.82Å
12N93.6Very high96.5Very high24 Ų2424.4 Ų24.413%0.12813%0.125CC..THydrogen-bonded Turntrans54.114.2-176.7-63.883.8000115.9G14 R141 R145 Y147N12-G14 VanDerWaalsContact C-N 3.33Å; N12-G14 PolarHBondContact O-N 2.99Å; N12-R141 HydrophobicContact CB-CB 3.8Å; N12-R141 PolarHBondContact ND2-O 3.21Å; N12-R141 VanDerWaalsContact O-CD 3.24Å; N12-R141 WeakPolarHBondContact O-CD 3.37Å; N12-R141 PolarHBondContact O-NH1 3.33Å; N12-R145 WeakPolarHBondContact ND2-CD 3.47Å; N12-Y147 PolarHBondContact OD1-OH 2.85Å
13G94.2Very high96.5Very high2 Ų222.5 Ų22.52%0.02112%0.118CC..SBendtrans-66.2-30.3-179.900000114.3V10 T11 R141V10-G13 PolarHBondContact O-N 3.27Å; T11-G13 PolarHBondContact O-N 3.13Å; G13-R141 PolarHBondContact O-NH1 3.5Å
14G94.6Very high96.3Very high26 Ų2630.1 Ų30.127%0.26815%0.154SC..SBendtrans123.40.4-175.800000115.5N12 T16 T17 L18 M131N12-G14 VanDerWaalsContact C-N 3.33Å; N12-G14 PolarHBondContact O-N 2.99Å; G14-T16 PolarHBondContact O-N 3.25Å; G14-T17 WeakPolarHBondContact O-CB 3.12Å; G14-T17 PolarHBondContact O-N 3.26Å; G14-L18 PolarHBondContact O-N 3.37Å; G14-M131 PolarHBondContact N-SD 3.22Å; G14-M131 VanDerWaalsContact N-SD 3.44Å
15K96.4Very high96.1Very high20 Ų2031.7 Ų31.79%0.08717%0.168CC..Hα-helixtrans-44.1-62.1-178-56.4-174-63-930113.5I7 G9 V10 T17 L18 T19 G112 M131I7-K15 HydrophobicContact CG2-CB 4.1Å; I7-K15 HydrophobicContact CG2-CG 4.19Å; G9-K15 PolarHBondContact O-NZ 3.49Å; V10-K15 PolarHBondContact O-NZ 2.84Å; K15-T17 PolarHBondContact O-N 2.86Å; K15-T17 VanDerWaalsContact O-N 3.08Å; K15-L18 WeakPolarHBondContact O-CA 3.27Å; K15-L18 WeakPolarHBondContact O-CB 3.12Å; K15-L18 PolarHBondContact O-N 3.5Å; K15-T19 PolarHBondContact O-N 3.34Å; K15-T19 PolarHBondContact O-OG1 3Å; K15-T19 VanDerWaalsContact O-OG1 3.08Å; K15-G112 WeakPolarHBondContact CD-O 3.32Å; K15-G112 WeakPolarHBondContact CE-O 3.21Å; K15-M131 HydrophobicContact CG-CB 4.29Å; K15-M131 HydrophobicContact CG-CE 4.22Å; K15-M131 HydrophobicContact CG-SD 4.04Å; K15-M131 PolarHBondContact N-SD 3.32Å; K15-M131 VanDerWaalsContact N-SD 3.42Å
16T93.9Very high95.8Very high43 Ų4332.2 Ų32.226%0.26417%0.17SC..Hα-helixtrans-59.1-29-179.1-480000113.8G14 K20 E111G14-T16 PolarHBondContact O-N 3.25Å; T16-K20 HydrophobicContact CG2-CD 4.46Å; T16-K20 WeakPolarHBondContact O-CB 3.24Å; T16-K20 WeakPolarHBondContact O-CG 3.46Å; T16-K20 PolarHBondContact O-N 2.82Å; T16-K20 VanDerWaalsContact O-N 3.12Å; T16-E111 WeakPolarHBondContact CA-OE1 3.44Å; T16-E111 WeakPolarHBondContact CA-OE2 3.46Å; T16-E111 VanDerWaalsContact CB-OE1 3.29Å; T16-E111 WeakPolarHBondContact CB-OE1 3.44Å; T16-E111 WeakPolarHBondContact CG2-OE1 3.43Å; T16-E111 PolarHBondContact N-OE2 3.38Å; T16-E111 VanDerWaalsContact N-OE2 3.08Å; T16-E111 PolarHBondContact OG1-OE1 3.45Å
17T95.7Very high95.3Very high61 Ų6135.7 Ų35.737%0.37419%0.193SC..Hα-helixtrans-73.3-43.3175-59.80000111.3G14 K15 R21 K187G14-T17 WeakPolarHBondContact O-CB 3.12Å; G14-T17 PolarHBondContact O-N 3.26Å; K15-T17 PolarHBondContact O-N 2.86Å; K15-T17 VanDerWaalsContact O-N 3.08Å; T17-R21 PolarHBondContact O-N 2.77Å; T17-K187 HydrophobicContact CG2-CD 3.92Å; T17-K187 HydrophobicContact CG2-CG 4.29Å
18L97.9Very high94.9Very high5 Ų535.9 Ų35.93%0.02619%0.194CC..Hα-helixtrans-62-49.7175.117463.2000110.6I7 G14 K15 K20 R21 L22 M131 L181 L190 F191 V194I7-L18 HydrophobicContact CD1-CD2 4.42Å; G14-L18 PolarHBondContact O-N 3.37Å; K15-L18 WeakPolarHBondContact O-CA 3.27Å; K15-L18 WeakPolarHBondContact O-CB 3.12Å; K15-L18 PolarHBondContact O-N 3.5Å; L18-K20 PolarHBondContact O-N 2.95Å; L18-R21 WeakPolarHBondContact O-CB 3.34Å; L18-R21 PolarHBondContact O-N 2.98Å; L18-L22 HydrophobicContact CD1-CD1 4.09Å; L18-L22 HydrophobicContact CD1-CG 4.19Å; L18-L22 HydrophobicContact CD2-CD1 4.5Å; L18-L22 HydrophobicContact CG-CD1 3.87Å; L18-L22 HydrophobicContact CG-CG 4.38Å; L18-L22 WeakPolarHBondContact O-CG 3.12Å; L18-L22 PolarHBondContact O-N 3.32Å; L18-M131 HydrophobicContact CB-CE 4.39Å; L18-M131 HydrophobicContact CD2-CE 3.84Å; L18-L181 HydrophobicContact CD2-CD1 4.15Å; L18-L190 HydrophobicContact CB-CD2 4.47Å; L18-L190 HydrophobicContact CD1-CG 4.29Å; L18-L190 HydrophobicContact CD2-CD2 4.18Å; L18-L190 HydrophobicContact CD2-CG 4.21Å; L18-F191 HydrophobicContact CD1-CB 4.31Å; L18-V194 HydrophobicContact CD1-CB 4.27Å; L18-V194 HydrophobicContact CD1-CG2 4.47Å; L18-V194 HydrophobicContact CD2-CB 4.43Å; L18-V194 HydrophobicContact CD2-CG1 4.32Å; L18-V194 HydrophobicContact CD2-CG2 4.01Å
19T97.4Very high94.7Very high0 Ų036 Ų360%020%0.195CC..Hα-helixtrans-55.7-46.6179-59.60000112.2K15 R21 L22 I23 V31 I109 E111K15-T19 PolarHBondContact O-N 3.34Å; K15-T19 PolarHBondContact O-OG1 3Å; K15-T19 VanDerWaalsContact O-OG1 3.08Å; T19-R21 VanDerWaalsContact C-N 3.27Å; T19-R21 PolarHBondContact O-N 3.36Å; T19-L22 PolarHBondContact O-N 3.15Å; T19-L22 VanDerWaalsContact O-N 3.12Å; T19-I23 HydrophobicContact CG2-CD1 3.78Å; T19-I23 HydrophobicContact CG2-CG1 4.36Å; T19-I23 VanDerWaalsContact O-CG1 3.29Å; T19-I23 WeakPolarHBondContact O-CG1 3.31Å; T19-I23 PolarHBondContact O-N 3.09Å; T19-V31 HydrophobicContact CG2-CB 4.33Å; T19-V31 HydrophobicContact CG2-CG2 3.56Å; T19-I109 HydrophobicContact CG2-CB 4.43Å; T19-I109 HydrophobicContact CG2-CD1 4.5Å; T19-I109 HydrophobicContact CG2-CG2 3.79Å; T19-E111 WeakPolarHBondContact CB-OE2 3.33Å; T19-E111 HydrophobicContact CG2-CG 4.37Å; T19-E111 PolarHBondContact OG1-OE2 3Å
20K96Very high94.6Very high128 Ų12836.1 Ų36.156%0.55720%0.195SC*.Hα-helixtrans-56.8-38.6176-79.5175.1179.5-177.70113.3T16 L18 Q24T16-K20 HydrophobicContact CG2-CD 4.46Å; T16-K20 WeakPolarHBondContact O-CB 3.24Å; T16-K20 WeakPolarHBondContact O-CG 3.46Å; T16-K20 PolarHBondContact O-N 2.82Å; T16-K20 VanDerWaalsContact O-N 3.12Å; L18-K20 PolarHBondContact O-N 2.95Å; K20-Q24 WeakPolarHBondContact O-CG 3.41Å
21R97.1Very high94.5Very high77 Ų7738 Ų3829%0.29121%0.207SC..Hα-helixtrans-72.6-39.1176.9-68-17664.2168.77112.1T17 L18 T19 Q24 A25 K187 E188 F191T17-R21 PolarHBondContact O-N 2.77Å; L18-R21 WeakPolarHBondContact O-CB 3.34Å; L18-R21 PolarHBondContact O-N 2.98Å; T19-R21 VanDerWaalsContact C-N 3.27Å; T19-R21 PolarHBondContact O-N 3.36Å; R21-Q24 PolarHBondContact O-N 3.44Å; R21-A25 PolarHBondContact O-N 3.23Å; R21-K187 PolarHBondContact NH1-O 3.33Å; R21-E188 VanDerWaalsContact NH1-CA 3.33Å; R21-F191 HydrophobicContact CB-CD2 3.48Å; R21-F191 VanDerWaalsContact CB-CD2 3.48Å; R21-F191 HydrophobicContact CB-CE2 3.78Å; R21-F191 HydrophobicContact CB-CG 4.3Å; R21-F191 VanDerWaalsContact CZ-CB 3.44Å; R21-F191 VanDerWaalsContact CZ-CG 3.46Å
22L97.2Very high94.7Very high0 Ų037.2 Ų37.20%020%0.202CC..Hα-helixtrans-64.5-44179-70.9171.8000111.6I7 L18 T19 Q24 A25 L26 I109 F191 V194 Y195 I198I7-L22 HydrophobicContact CD1-CD1 3.68Å; L18-L22 HydrophobicContact CD1-CD1 4.09Å; L18-L22 HydrophobicContact CD1-CG 4.19Å; L18-L22 HydrophobicContact CD2-CD1 4.5Å; L18-L22 HydrophobicContact CG-CD1 3.87Å; L18-L22 HydrophobicContact CG-CG 4.38Å; L18-L22 WeakPolarHBondContact O-CG 3.12Å; L18-L22 PolarHBondContact O-N 3.32Å; T19-L22 PolarHBondContact O-N 3.15Å; T19-L22 VanDerWaalsContact O-N 3.12Å; L22-Q24 PolarHBondContact O-N 3.28Å; L22-A25 PolarHBondContact O-N 3.33Å; L22-L26 HydrophobicContact CB-CD1 4.05Å; L22-L26 HydrophobicContact CD2-CD1 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CG 3.33Å; L22-L26 PolarHBondContact O-N 2.89Å; L22-I109 HydrophobicContact CB-CD1 3.67Å; L22-I109 HydrophobicContact CD1-CD1 4.15Å; L22-F191 HydrophobicContact CD2-CD2 4.12Å; L22-F191 HydrophobicContact CD2-CE2 4.06Å; L22-F191 HydrophobicContact CG-CD2 4.48Å; L22-V194 HydrophobicContact CD1-CG1 3.84Å; L22-V194 HydrophobicContact CD2-CG1 4.25Å; L22-Y195 HydrophobicContact CD2-CD2 4.24Å; L22-I198 HydrophobicContact CD1-CD1 4.07Å; L22-I198 HydrophobicContact CD2-CD1 3.91Å
23I94.4Very high94.9Very high53 Ų5338.3 Ų38.327%0.27221%0.206SC..Hα-helixtrans-58.5-35.9177.3-65.1160.9000111.6T19 A25 V31 I109T19-I23 HydrophobicContact CG2-CD1 3.78Å; T19-I23 HydrophobicContact CG2-CG1 4.36Å; T19-I23 VanDerWaalsContact O-CG1 3.29Å; T19-I23 WeakPolarHBondContact O-CG1 3.31Å; T19-I23 PolarHBondContact O-N 3.09Å; I23-A25 VanDerWaalsContact C-N 3.32Å; I23-V31 HydrophobicContact CD1-CB 3.59Å; I23-V31 HydrophobicContact CD1-CG1 3.53Å; I23-V31 HydrophobicContact CD1-CG2 4.23Å; I23-V31 HydrophobicContact CG1-CB 4.36Å; I23-I109 HydrophobicContact CG1-CD1 4.34Å
24Q92.6Very high95Very high166 Ų16638.2 Ų38.278%0.77621%0.205SC*.Hα-helixtrans-74-22.9178.4-70174-6.500113.4K20 R21 L22K20-Q24 WeakPolarHBondContact O-CG 3.41Å; R21-Q24 PolarHBondContact O-N 3.44Å; L22-Q24 PolarHBondContact O-N 3.28Å
25A94Very high95.1Very high36 Ų3640.5 Ų40.530%0.29821%0.211SC..Hα-helixtrans-103.7-26.9-173.400000113.3R21 L22 I23 F191 Y195R21-A25 PolarHBondContact O-N 3.23Å; L22-A25 PolarHBondContact O-N 3.33Å; I23-A25 VanDerWaalsContact C-N 3.32Å; A25-F191 HydrophobicContact CB-CE2 3.97Å; A25-F191 HydrophobicContact CB-CZ 3.7Å; A25-Y195 HydrophobicContact CB-CD2 4.02Å; A25-Y195 HydrophobicContact CB-CE2 3.66Å
26L92.6Very high95Very high10 Ų1045.3 Ų45.35%0.05224%0.238CC..SBendtrans-91.6138.2-177.9-68.3169.5000110.9L22 C29 I107 I109 Y195 I198 L199L22-L26 HydrophobicContact CB-CD1 4.05Å; L22-L26 HydrophobicContact CD2-CD1 4.37Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 WeakPolarHBondContact O-CG 3.33Å; L22-L26 PolarHBondContact O-N 2.89Å; L26-C29 HydrophobicContact CB-CB 3.82Å; L26-I107 HydrophobicContact CB-CD1 4.02Å; L26-I107 HydrophobicContact CD1-CD1 4.38Å; L26-I107 HydrophobicContact CD1-CG2 4.42Å; L26-I107 HydrophobicContact CD2-CD1 4.07Å; L26-I107 HydrophobicContact CG-CD1 4.39Å; L26-I109 HydrophobicContact CD1-CD1 4.38Å; L26-Y195 HydrophobicContact CD2-CD2 3.91Å; L26-Y195 HydrophobicContact CD2-CE2 3.65Å; L26-Y195 HydrophobicContact CG-CD2 4.23Å; L26-Y195 HydrophobicContact CG-CE2 4.1Å; L26-I198 HydrophobicContact CD1-CD1 4.15Å; L26-I198 HydrophobicContact CD1-CG2 4.31Å; L26-I198 HydrophobicContact CD2-CG2 3.94Å; L26-L199 HydrophobicContact CD2-CD2 4.24Å
27P87.8Confident95.2Very high74 Ų7444.8 Ų44.848%0.48123%0.232SC..THydrogen-bonded Turntrans-70.7148.5175.731.2-35.1000110.8C29P27-C29 PolarHBondContact O-N 2.73Å; P27-C29 VanDerWaalsContact O-N 3.13Å
28N91.1Very high95.3Very high4 Ų445 Ų452%0.02123%0.228CC..THydrogen-bonded Turntrans48.643174.2-56-49.7000113.4N87 E104 T105 I107N28-N87 PolarHBondContact OD1-ND2 2.88Å; N28-E104 VanDerWaalsContact ND2-CG 3.34Å; N28-E104 WeakPolarHBondContact ND2-CG 3.48Å; N28-E104 PolarHBondContact ND2-OE1 2.92Å; N28-T105 WeakPolarHBondContact CB-O 3.28Å; N28-T105 PolarHBondContact ND2-O 2.84Å; N28-T105 VanDerWaalsContact ND2-O 3.08Å; N28-I107 PolarHBondContact O-N 2.75Å
29C93.6Very high95.2Very high4 Ų448 Ų483%0.02724%0.241CC..EExtended strand (participates in β ladder)trans-101.9118-171-168.10000111.3L26 P27 I107L26-C29 HydrophobicContact CB-CB 3.82Å; P27-C29 PolarHBondContact O-N 2.73Å; P27-C29 VanDerWaalsContact O-N 3.13Å; C29-I107 CarbonylContact C-O 3.59Å; C29-I107 WeakPolarHBondContact CA-O 3.36Å; C29-I107 HydrophobicContact CB-CB 4.37Å
30C94.8Very high95.1Very high2 Ų251.4 Ų51.41%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-103.5163.9171.4-72.20000111.3F79 E80 I107 L108 I109C30-F79 HydrophobicContact CB-CD1 4.39Å; C30-F79 HydrophobicContact CB-CE1 4.25Å; C30-E80 WeakPolarHBondContact SG-CG 3.22Å; C30-I107 PolarHBondContact N-O 3.29Å; C30-L108 HydrophobicContact CB-CD1 3.69Å; C30-I109 PolarHBondContact O-N 3.39Å
31V96.2Very high94.9Very high40 Ų4050 Ų5024%0.24226%0.258CS..EExtended strand (participates in β ladder)trans-132.3142.4172.963.70000112.5T19 I23 H33 I109 E111T19-V31 HydrophobicContact CG2-CB 4.33Å; T19-V31 HydrophobicContact CG2-CG2 3.56Å; I23-V31 HydrophobicContact CD1-CB 3.59Å; I23-V31 HydrophobicContact CD1-CG1 3.53Å; I23-V31 HydrophobicContact CD1-CG2 4.23Å; I23-V31 HydrophobicContact CG1-CB 4.36Å; V31-H33 WeakPolarHBondContact CG1-NE2 3.48Å; V31-I109 CarbonylContact C-O 3.57Å; V31-I109 WeakPolarHBondContact CA-O 3.4Å; V31-I109 HydrophobicContact CG2-CB 4.48Å; V31-E111 HydrophobicContact CG2-CG 4.37Å
32V97.3Very high94.8Very high6 Ų653 Ų534%0.03628%0.28CS..EExtended strand (participates in β ladder)trans-118.6122165.3172.10000107.7F37 M65 T68 F79 L108 I109 V110 E111V32-F37 HydrophobicContact CG1-CE2 3.57Å; V32-F37 HydrophobicContact CG1-CZ 4.01Å; V32-M65 HydrophobicContact CG1-CE 4.27Å; V32-M65 HydrophobicContact CG1-CG 4.32Å; V32-T68 HydrophobicContact CG2-CG2 3.87Å; V32-F79 HydrophobicContact CG2-CZ 4.44Å; V32-L108 HydrophobicContact CG2-CD1 4.06Å; V32-I109 PolarHBondContact N-O 2.81Å; V32-V110 HydrophobicContact CB-CG2 4.43Å; V32-V110 WeakPolarHBondContact O-CA 3.24Å; V32-E111 PolarHBondContact O-N 3.45Å
33H97.2Very high94.7Very high47 Ų4758.5 Ų58.522%0.21831%0.306CS..EExtended strand (participates in β ladder)trans-96.2121.6177-59.3-78.1000109.7V31 D35 D36 F37 E111V31-H33 WeakPolarHBondContact CG1-NE2 3.48Å; H33-D35 PolarHBondContact O-N 3.42Å; H33-D36 IonicContact CD2-OD2 3.58Å; H33-D36 WeakPolarHBondContact O-CB 3.29Å; H33-D36 PolarHBondContact O-N 3.02Å; H33-D36 VanDerWaalsContact O-N 3.08Å; H33-F37 VanDerWaalsContact O-CD2 3.26Å; H33-F37 WeakPolarHBondContact O-CD2 3.39Å; H33-F37 WeakPolarHBondContact O-CE2 3.37Å; H33-E111 IonicContact CE1-OE1 3.4Å; H33-E111 PolarHBondContact CE1-OE1 3.41Å; H33-E111 VanDerWaalsContact CE1-OE1 3.24Å; H33-E111 VanDerWaalsContact ND1-CD 3.34Å; H33-E111 VanDerWaalsContact ND1-CG 3.35Å; H33-E111 WeakPolarHBondContact ND1-CG 3.24Å; H33-E111 IonicContact ND1-OE1 3.39Å; H33-E111 PolarHBondContact ND1-OE1 2.92Å
34Q97.9Very high94.8Very high0 Ų056.5 Ų56.50%030%0.295CS..G310 helixtrans-57.6-33.8176.6-175.7173.248.600112.1D36 F37 L60 M65 E111 G112 L115Q34-D36 PolarHBondContact O-N 3.35Å; Q34-D36 VanDerWaalsContact O-N 3.15Å; Q34-F37 PolarHBondContact O-N 3.28Å; Q34-L60 HydrophobicContact CG-CD1 3.83Å; Q34-L60 HydrophobicContact CG-CD2 3.98Å; Q34-L60 WeakPolarHBondContact O-CD2 3.31Å; Q34-M65 HydrophobicContact CB-CE 3.99Å; Q34-M65 HydrophobicContact CB-SD 4.31Å; Q34-M65 HydrophobicContact CG-CE 4.3Å; Q34-M65 HydrophobicContact CG-SD 4.07Å; Q34-E111 WeakPolarHBondContact CB-O 3.31Å; Q34-E111 PolarHBondContact N-O 3.43Å; Q34-G112 VanDerWaalsContact OE1-CA 3.3Å; Q34-L115 HydrophobicContact CB-CD2 4.22Å
35D95.1Very high94.9Very high74 Ų7456 Ų5640%0.39629%0.293SS..G310 helixtrans-61.5-20.6178.9-67.24000113H33 F37 F38H33-D35 PolarHBondContact O-N 3.42Å; D35-F37 PolarHBondContact O-N 2.66Å; D35-F38 HydrophobicContact CB-CE2 4.36Å; D35-F38 WeakPolarHBondContact O-CD2 3.37Å
36D96.1Very high95Very high122 Ų12258.8 Ų58.865%0.65231%0.306SS*.G310 helixtrans-75.5-11.5177.3-65.9-21.7000112.6H33 Q34H33-D36 IonicContact CD2-OD2 3.58Å; H33-D36 WeakPolarHBondContact O-CB 3.29Å; H33-D36 PolarHBondContact O-N 3.02Å; H33-D36 VanDerWaalsContact O-N 3.08Å; Q34-D36 PolarHBondContact O-N 3.35Å; Q34-D36 VanDerWaalsContact O-N 3.15Å
37F97.6Very high95.1Very high31 Ų3159.4 Ų59.414%0.13632%0.315CS..G310 helixtrans-105.715.2-175.8-59.5-87.6000113.1V32 H33 Q34 D35 K39 L60 D61 A64 M65 T68V32-F37 HydrophobicContact CG1-CE2 3.57Å; V32-F37 HydrophobicContact CG1-CZ 4.01Å; H33-F37 VanDerWaalsContact O-CD2 3.26Å; H33-F37 WeakPolarHBondContact O-CD2 3.39Å; H33-F37 WeakPolarHBondContact O-CE2 3.37Å; Q34-F37 PolarHBondContact O-N 3.28Å; D35-F37 PolarHBondContact O-N 2.66Å; F37-K39 PolarHBondContact O-N 2.77Å; F37-L60 HydrophobicContact CB-CD2 4.42Å; F37-L60 CarbonylContact O-C 3.56Å; F37-L60 WeakPolarHBondContact O-CA 3.29Å; F37-D61 PolarHBondContact O-N 3.47Å; F37-A64 HydrophobicContact CD1-CB 3.96Å; F37-A64 HydrophobicContact CE1-CB 4.22Å; F37-M65 HydrophobicContact CB-CB 4.4Å; F37-M65 HydrophobicContact CD1-CB 3.78Å; F37-M65 HydrophobicContact CD1-CG 4.5Å; F37-M65 HydrophobicContact CD2-CB 3.98Å; F37-M65 HydrophobicContact CD2-CG 3.86Å; F37-M65 HydrophobicContact CD2-SD 4.31Å; F37-M65 VanDerWaalsContact CE1-CA 3.42Å; F37-M65 HydrophobicContact CE1-CB 4.01Å; F37-M65 HydrophobicContact CE2-CB 4.22Å; F37-M65 HydrophobicContact CE2-CG 3.91Å; F37-M65 HydrophobicContact CG-CB 3.76Å; F37-M65 HydrophobicContact CG-CG 4.17Å; F37-M65 HydrophobicContact CZ-CB 4.22Å; F37-M65 HydrophobicContact CZ-CG 4.25Å; F37-T68 HydrophobicContact CZ-CG2 4.42Å
38F96.9Very high95.4Very high66 Ų6666 Ų6629%0.28934%0.339SS..BIsolated β-bridgetrans-62.5133.7172.1-86.1-64.8000111.4D35 Y54 A59 L60 F113D35-F38 HydrophobicContact CB-CE2 4.36Å; D35-F38 WeakPolarHBondContact O-CD2 3.37Å; F38-Y54 AromaticContact CD1-CD1 3.81Å; F38-Y54 HydrophobicContact CD1-CD1 3.81Å; F38-Y54 HydrophobicContact CD1-CE1 4.39Å; F38-Y54 AromaticContact CE1-CD1 3.79Å; F38-Y54 HydrophobicContact CE1-CD1 3.79Å; F38-Y54 WeakPolarHBondContact CE1-O 3.29Å; F38-Y54 HydrophobicContact CG-CD1 4.5Å; F38-Y54 HydrophobicContact CZ-CD1 4.46Å; F38-A59 HydrophobicContact CD1-CB 4.28Å; F38-A59 HydrophobicContact CE1-CB 4.19Å; F38-L60 HydrophobicContact CD1-CD2 3.84Å; F38-L60 HydrophobicContact CD1-CG 4.35Å; F38-L60 HydrophobicContact CD2-CD2 4.36Å; F38-L60 HydrophobicContact CE1-CD2 3.94Å; F38-L60 HydrophobicContact CE1-CG 4.29Å; F38-L60 HydrophobicContact CE2-CD2 4.45Å; F38-L60 HydrophobicContact CG-CD2 4.06Å; F38-L60 HydrophobicContact CZ-CD2 4.26Å; F38-F113 HydrophobicContact CE2-CE1 4.38Å; F38-F113 AromaticContact CZ-CE1 3.8Å; F38-F113 HydrophobicContact CZ-CE1 3.8Å; F38-F113 AromaticContact CZ-CZ 3.93Å; F38-F113 HydrophobicContact CZ-CZ 3.93Å
39K96.9Very high95.5Very high69 Ų6968.8 Ų68.830%0.335%0.354SS..PPolyproline II helixtrans-63155.6171.1-69.1176.8-178169.20110.7F37 Q43 I44 T58 A59 L60F37-K39 PolarHBondContact O-N 2.77Å; K39-Q43 HydrophobicContact CB-CB 4.27Å; K39-I44 HydrophobicContact CB-CD1 3.91Å; K39-T58 WeakPolarHBondContact CE-O 3.4Å; K39-T58 PolarHBondContact NZ-O 3.27Å; K39-A59 WeakPolarHBondContact CB-O 3.42Å; K39-A59 PolarHBondContact N-O 2.77Å; K39-L60 WeakPolarHBondContact CE-O 3.48Å
40P95.2Very high95.5Very high71 Ų7171.2 Ų71.246%0.46138%0.38SS..PPolyproline II helixtrans-49.9143.8172.7-30.638.5000112.9D42 Q43P40-D42 WeakPolarHBondContact CB-OD1 3.39Å; P40-D42 PolarHBondContact O-N 3.39Å; P40-D42 VanDerWaalsContact O-N 3.08Å; P40-Q43 HydrophobicContact CB-CG 4.34Å; P40-Q43 WeakPolarHBondContact O-CB 3.29Å; P40-Q43 PolarHBondContact O-N 3.02Å
41Q91.6Very high95.6Very high97 Ų9772.8 Ų72.845%0.45339%0.386SS..THydrogen-bonded Turntrans-58.5-27.3-172.3175.1173.420.400113.9Q43 K52 Y54Q41-Q43 VanDerWaalsContact C-N 3.33Å; Q41-K52 HydrophobicContact CG-CD 4.37Å; Q41-K52 PolarHBondContact O-NZ 2.97Å; Q41-Y54 WeakPolarHBondContact CG-OH 3.49Å
42D94.3Very high95.6Very high141 Ų14174 Ų7475%0.75439%0.388SS*.THydrogen-bonded Turntrans-75.7-17.617660.3-32.4000113.6P40P40-D42 WeakPolarHBondContact CB-OD1 3.39Å; P40-D42 PolarHBondContact O-N 3.39Å; P40-D42 VanDerWaalsContact O-N 3.08Å
43Q95.9Very high95.5Very high116 Ų11675.4 Ų75.454%0.54239%0.394SS..SBendtrans-92.4-6.7173.6-59.3-17813.500113.1K39 P40 Q41 E45K39-Q43 HydrophobicContact CB-CB 4.27Å; P40-Q43 HydrophobicContact CB-CG 4.34Å; P40-Q43 WeakPolarHBondContact O-CB 3.29Å; P40-Q43 PolarHBondContact O-N 3.02Å; Q41-Q43 VanDerWaalsContact C-N 3.33Å; Q43-E45 PolarHBondContact O-N 3.15Å
44I95.9Very high95.4Very high10 Ų1076.3 Ų76.35%0.05140%0.396CS..SBendtrans-86.3113.1176.9-52.1-56.4000109.1K39 K52 Y54 A59K39-I44 HydrophobicContact CB-CD1 3.91Å; I44-K52 HydrophobicContact CG2-CB 3.93Å; I44-K52 HydrophobicContact CG2-CD 4.47Å; I44-Y54 HydrophobicContact CB-CE1 4.46Å; I44-Y54 HydrophobicContact CD1-CE1 4.35Å; I44-Y54 HydrophobicContact CG1-CD1 4.27Å; I44-Y54 HydrophobicContact CG1-CE1 3.71Å; I44-Y54 HydrophobicContact CG2-CD1 4.37Å; I44-Y54 HydrophobicContact CG2-CD2 4.23Å; I44-Y54 HydrophobicContact CG2-CE1 4.32Å; I44-Y54 HydrophobicContact CG2-CE2 4.18Å; I44-Y54 HydrophobicContact CG2-CG 4.32Å; I44-A59 HydrophobicContact CD1-CB 3.9Å
45E94.9Very high95.4Very high156 Ų15677 Ų7773%0.72940%0.4SS*.  trans-65.9154.8179.2-63.8-179.3174.200112.1Q43 K52 Q53Q43-E45 PolarHBondContact O-N 3.15Å; E45-K52 WeakPolarHBondContact O-CA 3.49Å; E45-Q53 PolarHBondContact O-N 3.44Å
46V96.4Very high95.4Very high94 Ų9474.7 Ų74.757%0.5739%0.389SS*.BIsolated β-bridgetrans-96.5124.1169-176.20000107.7F51 K52V46-F51 WeakPolarHBondContact CA-O 3.36Å; V46-K52 HydrophobicContact CG2-CG 4.29Å
47G94.4Very high95.4Very high23 Ų2370.7 Ų70.724%0.23737%0.367CS..  trans-78.2176.4179.800000112.8D49 G50 F51G47-D49 PolarHBondContact O-N 3.25Å; G47-G50 PolarHBondContact O-N 3.5Å; G47-F51 PolarHBondContact N-O 2.9Å
48E93.9Very high95.4Very high212 Ų21274.1 Ų74.199%0.99139%0.391SS*.THydrogen-bonded Turntrans-62.5-23.9174.7-62.2-176.7171.100112.6G50E48-G50 PolarHBondContact O-N 3.23Å
49D92.9Very high95.4Very high64 Ų6471.1 Ų71.134%0.34238%0.378SS..THydrogen-bonded Turntrans-70.2-7.4172.360.510.9000113.5G47 F51 Q53 H159G47-D49 PolarHBondContact O-N 3.25Å; D49-F51 VanDerWaalsContact C-N 3.29Å; D49-F51 HydrophobicContact CB-CD2 3.95Å; D49-F51 WeakPolarHBondContact O-CD2 3.5Å; D49-F51 PolarHBondContact OD1-N 3.45Å; D49-Q53 PolarHBondContact OD1-NE2 3.37Å; D49-Q53 PolarHBondContact OD2-NE2 2.74Å; D49-Q53 VanDerWaalsContact OD2-NE2 3.13Å; D49-H159 IonicContact OD2-CE1 3.54Å; D49-H159 IonicContact OD2-CG 3.05Å; D49-H159 IonicContact OD2-ND1 2.81Å; D49-H159 PolarHBondContact OD2-ND1 2.93Å
50G95.1Very high95.4Very high54 Ų5468 Ų6856%0.55737%0.365SS*.SBendtrans79.26.1-177.900000114.3G47 E48G47-G50 PolarHBondContact O-N 3.5Å; E48-G50 PolarHBondContact O-N 3.23Å
51F96.1Very high95.6Very high35 Ų3568 Ų6815%0.15436%0.361CS..SBendtrans-106.5152.3-179.6-60.6-67.3000112.2V46 G47 D49 Q53 P152 L155 H159V46-F51 WeakPolarHBondContact CA-O 3.36Å; G47-F51 PolarHBondContact N-O 2.9Å; D49-F51 VanDerWaalsContact C-N 3.29Å; D49-F51 HydrophobicContact CB-CD2 3.95Å; D49-F51 WeakPolarHBondContact O-CD2 3.5Å; D49-F51 PolarHBondContact OD1-N 3.45Å; F51-Q53 PolarHBondContact O-N 2.94Å; F51-Q53 PolarHBondContact O-NE2 3.37Å; F51-P152 HydrophobicContact CD1-CG 4.01Å; F51-P152 HydrophobicContact CE1-CG 4.13Å; F51-L155 HydrophobicContact CB-CD1 3.76Å; F51-L155 HydrophobicContact CD1-CB 4.32Å; F51-L155 HydrophobicContact CD1-CD1 3.42Å; F51-L155 VanDerWaalsContact CD1-CD1 3.42Å; F51-L155 HydrophobicContact CD1-CG 4.47Å; F51-L155 HydrophobicContact CD2-CD1 4.48Å; F51-L155 HydrophobicContact CE1-CB 4.16Å; F51-L155 HydrophobicContact CE1-CD1 4.11Å; F51-L155 HydrophobicContact CG-CD1 3.63Å; F51-H159 HydrophobicContact CB-CB 4.06Å; F51-H159 HydrophobicContact CD2-CB 3.74Å; F51-H159 HydrophobicContact CE2-CB 4.48Å; F51-H159 HydrophobicContact CG-CB 4.06Å
52K95.2Very high95.9Very high65 Ų6564 Ų6428%0.28334%0.342SS..BIsolated β-bridgetrans-66.4127.5169.8-75.5-160.9171.5-155.10109.8Q41 I44 E45 V46 Y54Q41-K52 HydrophobicContact CG-CD 4.37Å; Q41-K52 PolarHBondContact O-NZ 2.97Å; I44-K52 HydrophobicContact CG2-CB 3.93Å; I44-K52 HydrophobicContact CG2-CD 4.47Å; E45-K52 WeakPolarHBondContact O-CA 3.49Å; V46-K52 HydrophobicContact CG2-CG 4.29Å; K52-Y54 HydrophobicContact CB-CD2 3.65Å; K52-Y54 HydrophobicContact CB-CE2 3.53Å; K52-Y54 HydrophobicContact CD-CE2 3.8Å; K52-Y54 HydrophobicContact CG-CE2 4.28Å; K52-Y54 PolarHBondContact O-N 3.08Å
53Q96.7Very high96.1Very high36 Ų3662.8 Ų62.817%0.16834%0.336CS..  trans-79.569.7-174.6-57.3-63.7-67.500110.5E45 D49 F51 V56 A59 H159E45-Q53 PolarHBondContact O-N 3.44Å; D49-Q53 PolarHBondContact OD1-NE2 3.37Å; D49-Q53 PolarHBondContact OD2-NE2 2.74Å; D49-Q53 VanDerWaalsContact OD2-NE2 3.13Å; F51-Q53 PolarHBondContact O-N 2.94Å; F51-Q53 PolarHBondContact O-NE2 3.37Å; Q53-V56 HydrophobicContact CB-CG2 3.95Å; Q53-V56 VanDerWaalsContact O-CG2 3.29Å; Q53-V56 WeakPolarHBondContact O-CG2 3.3Å; Q53-A59 VanDerWaalsContact O-CB 3.32Å; Q53-A59 WeakPolarHBondContact O-CB 3.33Å; Q53-H159 VanDerWaalsContact CD-CE1 3.42Å; Q53-H159 PolarHBondContact NE2-CE1 2.88Å; Q53-H159 PolarHBondContact NE2-ND1 3.42Å; Q53-H159 PolarHBondContact OE1-CE1 3.46Å; Q53-H159 VanDerWaalsContact OE1-CE1 3.29Å
54Y95.4Very high96.2Very high66 Ų6659 Ų5926%0.25932%0.324SS..  trans-80.5-27.8175.9-79.5-77.7000112.2F38 Q41 I44 K52 V56F38-Y54 AromaticContact CD1-CD1 3.81Å; F38-Y54 HydrophobicContact CD1-CD1 3.81Å; F38-Y54 HydrophobicContact CD1-CE1 4.39Å; F38-Y54 AromaticContact CE1-CD1 3.79Å; F38-Y54 HydrophobicContact CE1-CD1 3.79Å; F38-Y54 WeakPolarHBondContact CE1-O 3.29Å; F38-Y54 HydrophobicContact CG-CD1 4.5Å; F38-Y54 HydrophobicContact CZ-CD1 4.46Å; Q41-Y54 WeakPolarHBondContact CG-OH 3.49Å; I44-Y54 HydrophobicContact CB-CE1 4.46Å; I44-Y54 HydrophobicContact CD1-CE1 4.35Å; I44-Y54 HydrophobicContact CG1-CD1 4.27Å; I44-Y54 HydrophobicContact CG1-CE1 3.71Å; I44-Y54 HydrophobicContact CG2-CD1 4.37Å; I44-Y54 HydrophobicContact CG2-CD2 4.23Å; I44-Y54 HydrophobicContact CG2-CE1 4.32Å; I44-Y54 HydrophobicContact CG2-CE2 4.18Å; I44-Y54 HydrophobicContact CG2-CG 4.32Å; K52-Y54 HydrophobicContact CB-CD2 3.65Å; K52-Y54 HydrophobicContact CB-CE2 3.53Å; K52-Y54 HydrophobicContact CD-CE2 3.8Å; K52-Y54 HydrophobicContact CG-CE2 4.28Å; K52-Y54 PolarHBondContact O-N 3.08Å; Y54-V56 PolarHBondContact O-N 3.01Å; Y54-V56 VanDerWaalsContact O-N 3.13Å
55D96.4Very high96.3Very high14 Ų1458.5 Ų58.58%0.07532%0.321CS..SBendtrans-88.532.7-173.2-60.3-106.7000112.4F113 H159 M163 H167D55-F113 HydrophobicContact CB-CE2 4.11Å; D55-H159 IonicContact OD2-CD2 3.78Å; D55-H159 PolarHBondContact OD2-CD2 3.02Å; D55-H159 IonicContact OD2-NE2 2.76Å; D55-M163 HydrophobicContact CB-CB 3.67Å; D55-M163 HydrophobicContact CB-CG 4.02Å; D55-M163 VanDerWaalsContact O-CE 3.28Å; D55-M163 WeakPolarHBondContact O-CE 3.39Å; D55-H167 PolarHBondContact O-CD2 3.47Å; D55-H167 PolarHBondContact O-NE2 2.88Å
56V96.3Very high96.5Very high26 Ų2651.5 Ų51.516%0.15829%0.289CS..SBendtrans-128.2151.3177-67.50000112Q53 Y54 T58 A59 L114 M163Q53-V56 HydrophobicContact CB-CG2 3.95Å; Q53-V56 VanDerWaalsContact O-CG2 3.29Å; Q53-V56 WeakPolarHBondContact O-CG2 3.3Å; Y54-V56 PolarHBondContact O-N 3.01Å; Y54-V56 VanDerWaalsContact O-N 3.13Å; V56-T58 VanDerWaalsContact CG2-OG1 3.29Å; V56-T58 WeakPolarHBondContact CG2-OG1 3.43Å; V56-T58 PolarHBondContact O-N 3.35Å; V56-A59 HydrophobicContact CG2-CB 4.12Å; V56-A59 WeakPolarHBondContact O-CB 3.34Å; V56-A59 PolarHBondContact O-N 3.2Å; V56-L114 VanDerWaalsContact C-CD1 3.49Å; V56-M163 HydrophobicContact CG1-CE 3.42Å; V56-M163 VanDerWaalsContact CG1-CE 3.42Å; V56-M163 HydrophobicContact CG1-SD 4.37Å
57I96.1Very high96.5Very high38 Ų3850.6 Ų50.620%0.19529%0.287CS..G310 helixtrans-56.3-35.7178.7-71.3-65.8000112.3A59 L60 M62 L114 Y118I57-A59 PolarHBondContact O-N 3.47Å; I57-L60 PolarHBondContact O-N 3.45Å; I57-L60 VanDerWaalsContact O-N 3.08Å; I57-M62 HydrophobicContact CD1-CE 4.41Å; I57-M62 HydrophobicContact CG2-CG 3.95Å; I57-L114 HydrophobicContact CD1-CB 3.67Å; I57-L114 HydrophobicContact CD1-CD1 4.26Å; I57-Y118 HydrophobicContact CG2-CD2 4.12Å
58T96.2Very high96.7Very high104 Ų10451.2 Ų51.264%0.63829%0.286SS*.G310 helixtrans-67.5-15.1-179.550.80000113.8K39 V56 L60K39-T58 WeakPolarHBondContact CE-O 3.4Å; K39-T58 PolarHBondContact NZ-O 3.27Å; V56-T58 VanDerWaalsContact CG2-OG1 3.29Å; V56-T58 WeakPolarHBondContact CG2-OG1 3.43Å; V56-T58 PolarHBondContact O-N 3.35Å; T58-L60 PolarHBondContact O-N 3.13Å
59A97.4Very high96.9Very high3 Ų341.1 Ų41.13%0.02524%0.239CC..G310 helixtrans-75.1-13.3173.600000113.2F38 K39 I44 Q53 V56 I57F38-A59 HydrophobicContact CD1-CB 4.28Å; F38-A59 HydrophobicContact CE1-CB 4.19Å; K39-A59 WeakPolarHBondContact CB-O 3.42Å; K39-A59 PolarHBondContact N-O 2.77Å; I44-A59 HydrophobicContact CD1-CB 3.9Å; Q53-A59 VanDerWaalsContact O-CB 3.32Å; Q53-A59 WeakPolarHBondContact O-CB 3.33Å; V56-A59 HydrophobicContact CG2-CB 4.12Å; V56-A59 WeakPolarHBondContact O-CB 3.34Å; V56-A59 PolarHBondContact O-N 3.2Å; I57-A59 PolarHBondContact O-N 3.47Å
60L98Very high97.1Very high4 Ų443.9 Ų43.92%0.02125%0.245CC..BIsolated β-bridgetrans-108.9147.4-175-65156.1000110.7Q34 F37 F38 K39 I57 T58 M62 L114Q34-L60 HydrophobicContact CG-CD1 3.83Å; Q34-L60 HydrophobicContact CG-CD2 3.98Å; Q34-L60 WeakPolarHBondContact O-CD2 3.31Å; F37-L60 HydrophobicContact CB-CD2 4.42Å; F37-L60 CarbonylContact O-C 3.56Å; F37-L60 WeakPolarHBondContact O-CA 3.29Å; F38-L60 HydrophobicContact CD1-CD2 3.84Å; F38-L60 HydrophobicContact CD1-CG 4.35Å; F38-L60 HydrophobicContact CD2-CD2 4.36Å; F38-L60 HydrophobicContact CE1-CD2 3.94Å; F38-L60 HydrophobicContact CE1-CG 4.29Å; F38-L60 HydrophobicContact CE2-CD2 4.45Å; F38-L60 HydrophobicContact CG-CD2 4.06Å; F38-L60 HydrophobicContact CZ-CD2 4.26Å; K39-L60 WeakPolarHBondContact CE-O 3.48Å; I57-L60 PolarHBondContact O-N 3.45Å; I57-L60 VanDerWaalsContact O-N 3.08Å; T58-L60 PolarHBondContact O-N 3.13Å; L60-M62 VanDerWaalsContact C-N 3.33Å; L60-M62 HydrophobicContact CB-CG 4.15Å; L60-M62 HydrophobicContact CB-SD 3.62Å; L60-M62 HydrophobicContact CD1-SD 3.95Å; L60-M62 HydrophobicContact CG-SD 4.41Å; L60-M62 PolarHBondContact O-N 3.03Å; L60-L114 HydrophobicContact CD1-CD1 4.07Å
61D98.2Very high97.2Very high71 Ų7143.8 Ų43.838%0.3824%0.239SC..  trans-83.779.2165.7-167.6-22.3000109.4F37 D63 A64 M65F37-D61 PolarHBondContact O-N 3.47Å; D61-D63 PolarHBondContact O-N 3.47Å; D61-D63 PolarHBondContact OD1-N 3.39Å; D61-A64 HydrophobicContact CB-CB 4.08Å; D61-A64 VanDerWaalsContact CG-CB 3.41Å; D61-A64 PolarHBondContact O-N 3.37Å; D61-A64 WeakPolarHBondContact OD1-CB 3.42Å; D61-A64 PolarHBondContact OD1-N 2.89Å; D61-M65 PolarHBondContact O-N 3.12Å; D61-M65 VanDerWaalsContact O-N 3.08Å
62M97.8Very high97.3Very high11 Ų1142.1 Ų42.15%0.05423%0.232CC..Hα-helixtrans-67.8-24.4-178.2-61.5-56.3-68.900112.7I57 L60 M65 M66 Y118 L121I57-M62 HydrophobicContact CD1-CE 4.41Å; I57-M62 HydrophobicContact CG2-CG 3.95Å; L60-M62 VanDerWaalsContact C-N 3.33Å; L60-M62 HydrophobicContact CB-CG 4.15Å; L60-M62 HydrophobicContact CB-SD 3.62Å; L60-M62 HydrophobicContact CD1-SD 3.95Å; L60-M62 HydrophobicContact CG-SD 4.41Å; L60-M62 PolarHBondContact O-N 3.03Å; M62-M65 HydrophobicContact CE-SD 4.05Å; M62-M65 PolarHBondContact O-N 2.83Å; M62-M65 HydrophobicContact SD-SD 4.25Å; M62-M66 WeakPolarHBondContact O-CB 3.33Å; M62-M66 VanDerWaalsContact O-CG 3.29Å; M62-M66 WeakPolarHBondContact O-CG 3.47Å; M62-M66 PolarHBondContact O-N 3.15Å; M62-Y118 HydrophobicContact CB-CE1 3.92Å; M62-Y118 HydrophobicContact CB-CE2 4.14Å; M62-Y118 HydrophobicContact CE-CD1 3.3Å; M62-Y118 HydrophobicContact CE-CD2 4.29Å; M62-Y118 HydrophobicContact CE-CE1 3.73Å; M62-Y118 HydrophobicContact CE-CG 3.6Å; M62-Y118 HydrophobicContact CG-CE1 4.48Å; M62-Y118 HydrophobicContact CG-CE2 4.34Å; M62-L121 HydrophobicContact CE-CD1 3.47Å; M62-L121 VanDerWaalsContact CE-CD1 3.47Å; M62-L121 HydrophobicContact CE-CG 4.25Å
63D98Very high97.3Very high117 Ų11741.4 Ų41.463%0.62623%0.231SC*.Hα-helixtrans-70.7-43.7176.2-69.6-26.2000110.7D61 M65 M66 S67D61-D63 PolarHBondContact O-N 3.47Å; D61-D63 PolarHBondContact OD1-N 3.39Å; D63-M65 VanDerWaalsContact C-N 3.33Å; D63-M66 PolarHBondContact O-N 3.26Å; D63-S67 VanDerWaalsContact O-CB 3.29Å; D63-S67 WeakPolarHBondContact O-CB 3.42Å; D63-S67 PolarHBondContact O-N 2.88Å; D63-S67 PolarHBondContact O-OG 3.08Å
64A98.3Very high97.3Very high35 Ų3545.9 Ų45.929%0.28926%0.256SS..Hα-helixtrans-63.3-39.8172.500000111.9F37 D61 S67 T68F37-A64 HydrophobicContact CD1-CB 3.96Å; F37-A64 HydrophobicContact CE1-CB 4.22Å; D61-A64 HydrophobicContact CB-CB 4.08Å; D61-A64 VanDerWaalsContact CG-CB 3.41Å; D61-A64 PolarHBondContact O-N 3.37Å; D61-A64 WeakPolarHBondContact OD1-CB 3.42Å; D61-A64 PolarHBondContact OD1-N 2.89Å; A64-S67 PolarHBondContact O-N 2.76Å; A64-T68 PolarHBondContact O-N 3.18Å; A64-T68 PolarHBondContact O-OG1 3.08Å
65M98.3Very high97.2Very high0 Ų045.8 Ų45.80%026%0.26CS..Hα-helixtrans-62.8-49.3176.3-170.8179.617800111.7V32 Q34 F37 D61 M62 D63 S67 T68 I69 V110 L115 L121V32-M65 HydrophobicContact CG1-CE 4.27Å; V32-M65 HydrophobicContact CG1-CG 4.32Å; Q34-M65 HydrophobicContact CB-CE 3.99Å; Q34-M65 HydrophobicContact CB-SD 4.31Å; Q34-M65 HydrophobicContact CG-CE 4.3Å; Q34-M65 HydrophobicContact CG-SD 4.07Å; F37-M65 HydrophobicContact CB-CB 4.4Å; F37-M65 HydrophobicContact CD1-CB 3.78Å; F37-M65 HydrophobicContact CD1-CG 4.5Å; F37-M65 HydrophobicContact CD2-CB 3.98Å; F37-M65 HydrophobicContact CD2-CG 3.86Å; F37-M65 HydrophobicContact CD2-SD 4.31Å; F37-M65 VanDerWaalsContact CE1-CA 3.42Å; F37-M65 HydrophobicContact CE1-CB 4.01Å; F37-M65 HydrophobicContact CE2-CB 4.22Å; F37-M65 HydrophobicContact CE2-CG 3.91Å; F37-M65 HydrophobicContact CG-CB 3.76Å; F37-M65 HydrophobicContact CG-CG 4.17Å; F37-M65 HydrophobicContact CZ-CB 4.22Å; F37-M65 HydrophobicContact CZ-CG 4.25Å; D61-M65 PolarHBondContact O-N 3.12Å; D61-M65 VanDerWaalsContact O-N 3.08Å; M62-M65 HydrophobicContact CE-SD 4.05Å; M62-M65 PolarHBondContact O-N 2.83Å; M62-M65 HydrophobicContact SD-SD 4.25Å; D63-M65 VanDerWaalsContact C-N 3.33Å; M65-S67 VanDerWaalsContact C-N 3.34Å; M65-S67 PolarHBondContact O-N 2.92Å; M65-T68 WeakPolarHBondContact O-CB 3.46Å; M65-T68 PolarHBondContact O-N 2.8Å; M65-I69 HydrophobicContact CG-CD1 4.41Å; M65-I69 PolarHBondContact O-N 3.29Å; M65-I69 VanDerWaalsContact O-N 3.08Å; M65-V110 HydrophobicContact CE-CG1 3.31Å; M65-L115 HydrophobicContact CE-CD2 3.85Å; M65-L121 HydrophobicContact CE-CD1 4.03Å; M65-L121 HydrophobicContact CE-CD2 4.03Å; M65-L121 HydrophobicContact SD-CD1 4.14Å
66M98.5Very high97.1Very high9 Ų945.5 Ų45.54%0.04426%0.259CS..Hα-helixtrans-63.9-39.4177-72.5-53.2-60.400111.8M62 D63 T68 I69 Y70 Y118 P120 L121 V124M62-M66 WeakPolarHBondContact O-CB 3.33Å; M62-M66 VanDerWaalsContact O-CG 3.29Å; M62-M66 WeakPolarHBondContact O-CG 3.47Å; M62-M66 PolarHBondContact O-N 3.15Å; D63-M66 PolarHBondContact O-N 3.26Å; M66-T68 VanDerWaalsContact C-N 3.26Å; M66-T68 PolarHBondContact O-N 2.81Å; M66-I69 PolarHBondContact O-N 2.88Å; M66-I69 HydrophobicContact SD-CD1 4.28Å; M66-Y70 HydrophobicContact CB-CD2 4.29Å; M66-Y70 HydrophobicContact CB-CE2 4.01Å; M66-Y70 HydrophobicContact CE-CE1 4.09Å; M66-Y70 HydrophobicContact CE-CE2 3.74Å; M66-Y70 VanDerWaalsContact CE-CZ 3.45Å; M66-Y70 VanDerWaalsContact CE-OH 3.31Å; M66-Y70 WeakPolarHBondContact CE-OH 3.41Å; M66-Y70 WeakPolarHBondContact O-CB 3.31Å; M66-Y70 WeakPolarHBondContact O-CD2 3.44Å; M66-Y70 PolarHBondContact O-N 2.88Å; M66-Y118 HydrophobicContact CG-CE1 3.86Å; M66-Y118 HydrophobicContact SD-CE1 4.21Å; M66-P120 HydrophobicContact CE-CB 3.86Å; M66-P120 VanDerWaalsContact CE-O 3.29Å; M66-P120 WeakPolarHBondContact CE-O 3.44Å; M66-P120 HydrophobicContact CG-CB 4.28Å; M66-P120 HydrophobicContact SD-CB 4.03Å; M66-L121 HydrophobicContact SD-CD2 3.61Å; M66-L121 HydrophobicContact SD-CG 3.81Å; M66-V124 HydrophobicContact CE-CG1 4.28Å
67S98.2Very high96.8Very high76 Ų7647.1 Ų47.153%0.53127%0.269SS..Hα-helixtrans-59.2-39.4175.1-62.10000111.9D63 A64 M65 Y70 A71D63-S67 VanDerWaalsContact O-CB 3.29Å; D63-S67 WeakPolarHBondContact O-CB 3.42Å; D63-S67 PolarHBondContact O-N 2.88Å; D63-S67 PolarHBondContact O-OG 3.08Å; A64-S67 PolarHBondContact O-N 2.76Å; M65-S67 VanDerWaalsContact C-N 3.34Å; M65-S67 PolarHBondContact O-N 2.92Å; S67-Y70 PolarHBondContact O-N 2.63Å; S67-A71 WeakPolarHBondContact O-CB 3.38Å; S67-A71 PolarHBondContact O-N 3.25Å
68T97.8Very high96.6Very high36 Ų3652.3 Ų52.322%0.22129%0.29CS..Hα-helixtrans-64.4-45175.6-570000111.4V32 F37 A64 M65 M66 A71 W72 F79V32-T68 HydrophobicContact CG2-CG2 3.87Å; F37-T68 HydrophobicContact CZ-CG2 4.42Å; A64-T68 PolarHBondContact O-N 3.18Å; A64-T68 PolarHBondContact O-OG1 3.08Å; M65-T68 WeakPolarHBondContact O-CB 3.46Å; M65-T68 PolarHBondContact O-N 2.8Å; M66-T68 VanDerWaalsContact C-N 3.26Å; M66-T68 PolarHBondContact O-N 2.81Å; T68-A71 PolarHBondContact O-N 2.99Å; T68-W72 PolarHBondContact O-N 2.81Å; T68-W72 VanDerWaalsContact O-N 3.12Å; T68-F79 HydrophobicContact CG2-CE2 3.74Å; T68-F79 HydrophobicContact CG2-CZ 3.79Å; T68-F79 WeakPolarHBondContact O-CE2 3.35Å
69I98.1Very high96.3Very high0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-65.1-41.3177.6-66166.3000110.9I4 M65 M66 W72 L73 L108 V110 L121 V124I4-I69 HydrophobicContact CD1-CG2 4.11Å; M65-I69 HydrophobicContact CG-CD1 4.41Å; M65-I69 PolarHBondContact O-N 3.29Å; M65-I69 VanDerWaalsContact O-N 3.08Å; M66-I69 PolarHBondContact O-N 2.88Å; M66-I69 HydrophobicContact SD-CD1 4.28Å; I69-W72 PolarHBondContact O-N 3.3Å; I69-L73 HydrophobicContact CG2-CD1 4.19Å; I69-L73 PolarHBondContact O-N 2.69Å; I69-L108 HydrophobicContact CG1-CD2 4.27Å; I69-L108 HydrophobicContact CG2-CD2 4.18Å; I69-V110 HydrophobicContact CD1-CG1 4.29Å; I69-V110 HydrophobicContact CD1-CG2 3.98Å; I69-V110 HydrophobicContact CG1-CG2 4.21Å; I69-L121 HydrophobicContact CD1-CD2 3.23Å; I69-V124 HydrophobicContact CG2-CG2 4.24Å
70Y97.9Very high95.9Very high121 Ų12148.4 Ų48.448%0.47526%0.264SS..Hα-helixtrans-67.3-35176.7-69.3-45.3000112.7M66 S67 W72 L73 D74 V124M66-Y70 HydrophobicContact CB-CD2 4.29Å; M66-Y70 HydrophobicContact CB-CE2 4.01Å; M66-Y70 HydrophobicContact CE-CE1 4.09Å; M66-Y70 HydrophobicContact CE-CE2 3.74Å; M66-Y70 VanDerWaalsContact CE-CZ 3.45Å; M66-Y70 VanDerWaalsContact CE-OH 3.31Å; M66-Y70 WeakPolarHBondContact CE-OH 3.41Å; M66-Y70 WeakPolarHBondContact O-CB 3.31Å; M66-Y70 WeakPolarHBondContact O-CD2 3.44Å; M66-Y70 PolarHBondContact O-N 2.88Å; S67-Y70 PolarHBondContact O-N 2.63Å; Y70-W72 VanDerWaalsContact C-N 3.32Å; Y70-W72 PolarHBondContact O-N 3.23Å; Y70-L73 HydrophobicContact CD1-CD1 3.85Å; Y70-L73 HydrophobicContact CE1-CD1 4.26Å; Y70-L73 CarbonylContact O-C 3.58Å; Y70-L73 PolarHBondContact O-N 3.39Å; Y70-D74 WeakPolarHBondContact O-CB 3.44Å; Y70-D74 PolarHBondContact O-N 3.37Å; Y70-V124 HydrophobicContact CE1-CG1 4.18Å
71A96.8Very high95.2Very high52 Ų5255.6 Ų55.643%0.4330%0.295SS..Hα-helixtrans-63.1-39.4172.700000112S67 T68 D74 N75 F79S67-A71 WeakPolarHBondContact O-CB 3.38Å; S67-A71 PolarHBondContact O-N 3.25Å; T68-A71 PolarHBondContact O-N 2.99Å; A71-D74 PolarHBondContact O-N 2.79Å; A71-N75 PolarHBondContact O-N 3.27Å; A71-F79 HydrophobicContact CB-CD2 4.39Å
72W97.3Very high94.6Very high0 Ų056.3 Ų56.30%031%0.306CS..Hα-helixtrans-66.4-44171.8-178.890.5000111.5K2 I4 T68 I69 Y70 D74 N75 P76 F79 H106 L108K2-W72 HydrophobicContact CB-CH2 3.89Å; K2-W72 HydrophobicContact CB-CZ3 3.97Å; K2-W72 HydrophobicContact CG-CH2 4.34Å; K2-W72 HydrophobicContact CG-CZ3 4.42Å; I4-W72 HydrophobicContact CD1-CE3 4.18Å; I4-W72 HydrophobicContact CD1-CZ3 3.86Å; I4-W72 HydrophobicContact CG1-CE3 4.23Å; I4-W72 HydrophobicContact CG1-CH2 4.19Å; I4-W72 HydrophobicContact CG1-CZ3 3.53Å; T68-W72 PolarHBondContact O-N 2.81Å; T68-W72 VanDerWaalsContact O-N 3.12Å; I69-W72 PolarHBondContact O-N 3.3Å; Y70-W72 VanDerWaalsContact C-N 3.32Å; Y70-W72 PolarHBondContact O-N 3.23Å; W72-D74 VanDerWaalsContact C-N 3.27Å; W72-D74 PolarHBondContact O-N 2.87Å; W72-N75 CarbonylContact O-C 3.45Å; W72-N75 PolarHBondContact O-N 3.39Å; W72-P76 HydrophobicContact CD2-CG 4.45Å; W72-P76 HydrophobicContact CZ2-CB 4.27Å; W72-P76 HydrophobicContact CZ2-CG 4.36Å; W72-P76 WeakPolarHBondContact O-CD 3.36Å; W72-P76 VanDerWaalsContact O-CG 3.24Å; W72-P76 WeakPolarHBondContact O-CG 3.38Å; W72-P76 VanDerWaalsContact O-N 3.11Å; W72-F79 HydrophobicContact CB-CB 4.4Å; W72-F79 HydrophobicContact CB-CD1 4.34Å; W72-F79 HydrophobicContact CB-CD2 3.76Å; W72-F79 HydrophobicContact CB-CE2 4.04Å; W72-F79 HydrophobicContact CB-CG 3.91Å; W72-F79 HydrophobicContact CB-CZ 4.45Å; W72-F79 AromaticContact CD1-CD1 3.58Å; W72-F79 AromaticContact CD1-CG 3.74Å; W72-F79 HydrophobicContact CG-CD1 4.36Å; W72-F79 HydrophobicContact CG-CG 4.25Å; W72-H106 HydrophobicContact CH2-CB 4.45Å; W72-H106 WeakPolarHBondContact CH2-O 3.35Å; W72-H106 HydrophobicContact CZ2-CB 3.78Å; W72-L108 HydrophobicContact CB-CD2 4.22Å; W72-L108 HydrophobicContact CD2-CB 3.74Å; W72-L108 HydrophobicContact CD2-CD1 4.33Å; W72-L108 HydrophobicContact CD2-CD2 3.89Å; W72-L108 HydrophobicContact CD2-CG 4.2Å; W72-L108 HydrophobicContact CE3-CB 3.86Å; W72-L108 HydrophobicContact CE3-CD2 3.85Å; W72-L108 HydrophobicContact CE3-CG 4.43Å; W72-L108 HydrophobicContact CG-CB 4.41Å; W72-L108 HydrophobicContact CG-CD1 4.13Å; W72-L108 HydrophobicContact CG-CD2 4.03Å; W72-L108 HydrophobicContact CG-CG 4.43Å; W72-L108 HydrophobicContact CH2-CB 3.8Å; W72-L108 HydrophobicContact CZ2-CB 3.68Å; W72-L108 HydrophobicContact CZ3-CB 3.9Å
73L96.3Very high93.6Very high50 Ų5061 Ų6126%0.26233%0.327SS..Hα-helixtrans-62.3-31.1176.7-85.3168.7000112.9K2 I4 I69 Y70 V124K2-L73 HydrophobicContact CD-CD2 4.35Å; K2-L73 WeakPolarHBondContact CD-O 3.39Å; K2-L73 VanDerWaalsContact CE-O 3.27Å; K2-L73 WeakPolarHBondContact CE-O 3.41Å; K2-L73 PolarHBondContact NZ-O 2.63Å; I4-L73 HydrophobicContact CD1-CD1 3.99Å; I4-L73 HydrophobicContact CD1-CD2 3.77Å; I4-L73 HydrophobicContact CD1-CG 3.83Å; I69-L73 HydrophobicContact CG2-CD1 4.19Å; I69-L73 PolarHBondContact O-N 2.69Å; Y70-L73 HydrophobicContact CD1-CD1 3.85Å; Y70-L73 HydrophobicContact CE1-CD1 4.26Å; Y70-L73 CarbonylContact O-C 3.58Å; Y70-L73 PolarHBondContact O-N 3.39Å; L73-V124 HydrophobicContact CD1-CG1 4.33Å
74D95.9Very high92Very high131 Ų13158 Ų5870%0.70132%0.323SS*.Hα-helixtrans-68.7-57174.3-179.165.7000110.1K2 Y70 A71 W72K2-D74 PolarHBondContact NZ-O 3.31Å; Y70-D74 WeakPolarHBondContact O-CB 3.44Å; Y70-D74 PolarHBondContact O-N 3.37Å; A71-D74 PolarHBondContact O-N 2.79Å; W72-D74 VanDerWaalsContact C-N 3.27Å; W72-D74 PolarHBondContact O-N 2.87Å
75N94.3Very high90.5Very high64 Ų6458.3 Ų58.334%0.34232%0.321SS..  trans-144.488.4-174.5-166.4-30.5000113.1A71 W72 V77 K78 F79A71-N75 PolarHBondContact O-N 3.27Å; W72-N75 CarbonylContact O-C 3.45Å; W72-N75 PolarHBondContact O-N 3.39Å; N75-V77 VanDerWaalsContact C-N 3.34Å; N75-V77 PolarHBondContact O-N 2.65Å; N75-V77 PolarHBondContact OD1-N 2.69Å; N75-K78 HydrophobicContact CB-CB 4.01Å; N75-K78 VanDerWaalsContact CG-CB 3.47Å; N75-K78 PolarHBondContact O-N 3.19Å; N75-K78 WeakPolarHBondContact OD1-CB 3.29Å; N75-K78 PolarHBondContact OD1-N 3.01Å; N75-F79 PolarHBondContact O-N 3.37Å
76P93.2Very high88.2Confident7 Ų763.9 Ų63.95%0.04535%0.352CS..Hα-helixtrans-58.8-41.9-179.1-24.431.9000113.2K2 W72 K78 F79 E80 H106K2-P76 HydrophobicContact CD-CG 4.13Å; K2-P76 HydrophobicContact CG-CG 3.95Å; W72-P76 HydrophobicContact CD2-CG 4.45Å; W72-P76 HydrophobicContact CZ2-CB 4.27Å; W72-P76 HydrophobicContact CZ2-CG 4.36Å; W72-P76 WeakPolarHBondContact O-CD 3.36Å; W72-P76 VanDerWaalsContact O-CG 3.24Å; W72-P76 WeakPolarHBondContact O-CG 3.38Å; W72-P76 VanDerWaalsContact O-N 3.11Å; P76-K78 VanDerWaalsContact C-N 3.34Å; P76-K78 PolarHBondContact O-N 2.91Å; P76-F79 WeakPolarHBondContact O-CB 3.46Å; P76-F79 PolarHBondContact O-N 3.04Å; P76-F79 VanDerWaalsContact O-N 3.13Å; P76-E80 WeakPolarHBondContact O-CB 3.33Å; P76-E80 VanDerWaalsContact O-CG 3.29Å; P76-E80 WeakPolarHBondContact O-CG 3.43Å; P76-E80 PolarHBondContact O-N 3.47Å; P76-H106 HydrophobicContact CB-CB 3.69Å; P76-H106 HydrophobicContact CG-CB 4.1Å
77V90.9Very high85.9Confident60 Ų6068 Ų6836%0.36437%0.374SS..Hα-helixtrans-62.9-40.7-178.9178.20000111.5N75 K81N75-V77 VanDerWaalsContact C-N 3.34Å; N75-V77 PolarHBondContact O-N 2.65Å; N75-V77 PolarHBondContact OD1-N 2.69Å; V77-K81 WeakPolarHBondContact O-CG 3.26Å; V77-K81 PolarHBondContact O-N 3.44Å
78K90.5Very high83.1Confident148 Ų14869.3 Ų69.364%0.64338%0.378SS*.Hα-helixtrans-68.1-41.3175.5-175.7-176.5175.6-171.40110.7N75 P76 K81 S82N75-K78 HydrophobicContact CB-CB 4.01Å; N75-K78 VanDerWaalsContact CG-CB 3.47Å; N75-K78 PolarHBondContact O-N 3.19Å; N75-K78 WeakPolarHBondContact OD1-CB 3.29Å; N75-K78 PolarHBondContact OD1-N 3.01Å; P76-K78 VanDerWaalsContact C-N 3.34Å; P76-K78 PolarHBondContact O-N 2.91Å; K78-K81 PolarHBondContact O-N 3.36Å; K78-S82 PolarHBondContact O-N 3.41Å; K78-S82 VanDerWaalsContact O-N 3.15Å; K78-S82 PolarHBondContact O-OG 2.75Å
79F91.8Very high80.4Confident12 Ų1274.6 Ų74.65%0.05340%0.404CS..Hα-helixtrans-61.9-47.2178.6-170.6-79.5000111.8C30 V32 T68 A71 W72 N75 P76 K81 S82 H83C30-F79 HydrophobicContact CB-CD1 4.39Å; C30-F79 HydrophobicContact CB-CE1 4.25Å; V32-F79 HydrophobicContact CG2-CZ 4.44Å; T68-F79 HydrophobicContact CG2-CE2 3.74Å; T68-F79 HydrophobicContact CG2-CZ 3.79Å; T68-F79 WeakPolarHBondContact O-CE2 3.35Å; A71-F79 HydrophobicContact CB-CD2 4.39Å; W72-F79 HydrophobicContact CB-CB 4.4Å; W72-F79 HydrophobicContact CB-CD1 4.34Å; W72-F79 HydrophobicContact CB-CD2 3.76Å; W72-F79 HydrophobicContact CB-CE2 4.04Å; W72-F79 HydrophobicContact CB-CG 3.91Å; W72-F79 HydrophobicContact CB-CZ 4.45Å; W72-F79 AromaticContact CD1-CD1 3.58Å; W72-F79 AromaticContact CD1-CG 3.74Å; W72-F79 HydrophobicContact CG-CD1 4.36Å; W72-F79 HydrophobicContact CG-CG 4.25Å; N75-F79 PolarHBondContact O-N 3.37Å; P76-F79 WeakPolarHBondContact O-CB 3.46Å; P76-F79 PolarHBondContact O-N 3.04Å; P76-F79 VanDerWaalsContact O-N 3.13Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 3.09Å; F79-S82 PolarHBondContact O-N 2.79Å; F79-S82 PolarHBondContact O-OG 2.77Å; F79-H83 AromaticContact CD1-CE1 3.9Å; F79-H83 AromaticContact CD1-ND1 3.44Å; F79-H83 WeakPolarHBondContact CD1-ND1 3.23Å; F79-H83 AromaticContact CD2-CE1 3.68Å; F79-H83 AromaticContact CD2-ND1 3.98Å; F79-H83 HydrophobicContact CE1-CB 4.46Å; F79-H83 AromaticContact CE1-CE1 3.62Å; F79-H83 AromaticContact CE1-CG 3.79Å; F79-H83 AromaticContact CE1-ND1 3.41Å; F79-H83 WeakPolarHBondContact CE1-ND1 3.43Å; F79-H83 AromaticContact CE2-CE1 3.39Å; F79-H83 WeakPolarHBondContact CE2-CE1 3.43Å; F79-H83 AromaticContact CE2-ND1 3.96Å; F79-H83 AromaticContact CG-CE1 3.93Å; F79-H83 AromaticContact CG-ND1 3.74Å; F79-H83 AromaticContact CZ-CE1 3.35Å; F79-H83 WeakPolarHBondContact CZ-CE1 3.36Å; F79-H83 AromaticContact CZ-ND1 3.68Å; F79-H83 AromaticContact CZ-NE2 3.71Å; F79-H83 PolarHBondContact O-N 3.49Å; F79-H83 VanDerWaalsContact O-N 3.09Å; F79-H83 PolarHBondContact O-ND1 2.95Å
80E87.4Confident77.5Confident13 Ų1382 Ų826%0.06144%0.444CS..Hα-helixtrans-54.9-48.8177.6-76.1160.1-170.500111.6C30 P76 S82 H83 G84 V85 H106C30-E80 WeakPolarHBondContact SG-CG 3.22Å; P76-E80 WeakPolarHBondContact O-CB 3.33Å; P76-E80 VanDerWaalsContact O-CG 3.29Å; P76-E80 WeakPolarHBondContact O-CG 3.43Å; P76-E80 PolarHBondContact O-N 3.47Å; E80-S82 PolarHBondContact O-N 2.79Å; E80-H83 CarbonylContact O-C 3.47Å; E80-H83 PolarHBondContact O-N 3.09Å; E80-G84 PolarHBondContact O-N 3.2Å; E80-G84 VanDerWaalsContact O-N 3.16Å; E80-V85 HydrophobicContact CB-CB 4.05Å; E80-V85 HydrophobicContact CG-CB 4.28Å; E80-V85 HydrophobicContact CG-CG1 4.36Å; E80-V85 PolarHBondContact O-N 3.07Å; E80-H106 IonicContact OE1-CE1 3.67Å; E80-H106 IonicContact OE1-CG 3.69Å; E80-H106 IonicContact OE1-ND1 3.83Å; E80-H106 PolarHBondContact OE1-ND1 3.34Å; E80-H106 IonicContact OE2-CE1 3.69Å; E80-H106 IonicContact OE2-ND1 2.75Å
81K84.3Confident74.6Confident155 Ų15581.8 Ų81.867%0.67446%0.455SS*.Hα-helixtrans-61.4-40.4178.8-71.5175.5-176.1178.80112.7V77 K78 F79 H83V77-K81 WeakPolarHBondContact O-CG 3.26Å; V77-K81 PolarHBondContact O-N 3.44Å; K78-K81 PolarHBondContact O-N 3.36Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 3.09Å; K81-H83 VanDerWaalsContact C-N 3.29Å; K81-H83 PolarHBondContact O-N 3.2Å
82S85Confident71.7Confident86 Ų8687.8 Ų87.860%0.60148%0.475SS*.Hα-helixtrans-73.9-21.4179.964.40000113.3K78 F79 E80K78-S82 PolarHBondContact O-N 3.41Å; K78-S82 VanDerWaalsContact O-N 3.15Å; K78-S82 PolarHBondContact O-OG 2.75Å; F79-S82 PolarHBondContact O-N 2.79Å; F79-S82 PolarHBondContact O-OG 2.77Å; E80-S82 PolarHBondContact O-N 2.79Å
83H77.2Confident69.1Low110 Ų11095.9 Ų95.951%0.50952%0.516SS..THydrogen-bonded Turntrans-103.812.4-179.2-63.784.3000113.2F79 E80 K81 V85F79-H83 AromaticContact CD1-CE1 3.9Å; F79-H83 AromaticContact CD1-ND1 3.44Å; F79-H83 WeakPolarHBondContact CD1-ND1 3.23Å; F79-H83 AromaticContact CD2-CE1 3.68Å; F79-H83 AromaticContact CD2-ND1 3.98Å; F79-H83 HydrophobicContact CE1-CB 4.46Å; F79-H83 AromaticContact CE1-CE1 3.62Å; F79-H83 AromaticContact CE1-CG 3.79Å; F79-H83 AromaticContact CE1-ND1 3.41Å; F79-H83 WeakPolarHBondContact CE1-ND1 3.43Å; F79-H83 AromaticContact CE2-CE1 3.39Å; F79-H83 WeakPolarHBondContact CE2-CE1 3.43Å; F79-H83 AromaticContact CE2-ND1 3.96Å; F79-H83 AromaticContact CG-CE1 3.93Å; F79-H83 AromaticContact CG-ND1 3.74Å; F79-H83 AromaticContact CZ-CE1 3.35Å; F79-H83 WeakPolarHBondContact CZ-CE1 3.36Å; F79-H83 AromaticContact CZ-ND1 3.68Å; F79-H83 AromaticContact CZ-NE2 3.71Å; F79-H83 PolarHBondContact O-N 3.49Å; F79-H83 VanDerWaalsContact O-N 3.09Å; F79-H83 PolarHBondContact O-ND1 2.95Å; E80-H83 CarbonylContact O-C 3.47Å; E80-H83 PolarHBondContact O-N 3.09Å; K81-H83 VanDerWaalsContact C-N 3.29Å; K81-H83 PolarHBondContact O-N 3.2Å; H83-V85 PolarHBondContact O-N 3.41Å
84G65.2Low66.2Low53 Ų53101 Ų10155%0.54654%0.541SS..THydrogen-bonded Turntrans70.318.6174.500000114.3E80 N86E80-G84 PolarHBondContact O-N 3.2Å; E80-G84 VanDerWaalsContact O-N 3.16Å; G84-N86 PolarHBondContact O-N 3.39Å
85V65.1Low63.5Low41 Ų41100.2 Ų100.225%0.24854%0.543CS..  trans-76.882170.3-175.30000107.1E80 H83 N87E80-V85 HydrophobicContact CB-CB 4.05Å; E80-V85 HydrophobicContact CG-CB 4.28Å; E80-V85 HydrophobicContact CG-CG1 4.36Å; E80-V85 PolarHBondContact O-N 3.07Å; H83-V85 PolarHBondContact O-N 3.41Å; V85-N87 PolarHBondContact O-N 3.47Å
86N51.1Low60.9Low118 Ų118106.7 Ų106.763%0.63157%0.568SS**  trans-81.7109.7172-74.5-24000107.9G84 T88G84-N86 PolarHBondContact O-N 3.39Å; N86-T88 HydrophobicContact CB-CG2 4.18Å; N86-T88 PolarHBondContact O-N 3.21Å
87N49.7Very low58.4Low96 Ų96110.4 Ų110.451%0.51359%0.594SS.*  trans-67.572.4156.1-81.2-2.3000109N28 V85 L89N28-N87 PolarHBondContact OD1-ND2 2.88Å; V85-N87 PolarHBondContact O-N 3.47Å; N87-L89 PolarHBondContact O-N 3.08Å
88T39.5Very low56.1Low102 Ų102115.8 Ų115.863%0.62662%0.621SS**  trans-9366.1159.750.70000107.5N86 D90N86-T88 HydrophobicContact CB-CG2 4.18Å; N86-T88 PolarHBondContact O-N 3.21Å; T88-D90 VanDerWaalsContact C-N 3.35Å
89L41.7Very low53.8Low147 Ų147115.7 Ų115.777%0.7762%0.622SS**  trans-84.2101.1134-74.7169000103.8N87 T91N87-L89 PolarHBondContact O-N 3.08Å; L89-T91 PolarHBondContact O-N 3.19Å
90D37.1Very low51.6Low156 Ų156118.1 Ų118.183%0.83464%0.641SS**  trans-56.776.5152.1-71.8-42.8000106.9T88 E92T88-D90 VanDerWaalsContact C-N 3.35Å; D90-E92 VanDerWaalsContact C-N 3.3Å; D90-E92 PolarHBondContact O-N 3.19Å
91T36.6Very low49.8Very low116 Ų116127.2 Ų127.271%0.71268%0.68SS**  trans-65.4104.4159.636.70000105L89 I93L89-T91 PolarHBondContact O-N 3.19Å; T91-I93 PolarHBondContact O-N 2.97Å
92E36.6Very low48.1Very low178 Ų178126.9 Ų126.983%0.83269%0.685SS**  trans-31.2137.3151.1-68.4-175.915400109.6D90 M94D90-E92 VanDerWaalsContact C-N 3.3Å; D90-E92 PolarHBondContact O-N 3.19Å; E92-M94 VanDerWaalsContact C-N 3.28Å; E92-M94 PolarHBondContact O-N 3.44Å
93I42.4Very low46.8Very low170 Ų170129.1 Ų129.187%0.87269%0.687SS**  trans-48.585.9-175.3-56.9163.3000110.5T91T91-I93 PolarHBondContact O-N 2.97Å
94M35.6Very low47Very low157 Ų157129 Ų12977%0.77369%0.686SS**  trans-88.2125.3155.5-74.8-101.9109.500105.3E92 K96E92-M94 VanDerWaalsContact C-N 3.28Å; E92-M94 PolarHBondContact O-N 3.44Å; M94-K96 PolarHBondContact O-N 3.42Å
95P38.6Very low48.2Very low115 Ų115127.6 Ų127.675%0.74767%0.667SS**  trans-61.2116.6-177.719.6-21.7000107.6S97P95-S97 PolarHBondContact O-N 3.01Å
96K39.4Very low49.6Very low201 Ų201126.7 Ų126.787%0.87466%0.66SS**  trans-53.5103.9172.8-69-178.2176.4-177.20107M94M94-K96 PolarHBondContact O-N 3.42Å
97S41.2Very low51.7Low85 Ų85121.1 Ų121.159%0.59463%0.63SS**  trans-58.9140.8159.2430000106.9P95 H99P95-S97 PolarHBondContact O-N 3.01Å; S97-H99 PolarHBondContact O-N 2.88Å
98D41.3Very low54Low173 Ų173116.6 Ų116.693%0.92561%0.606SS**SBendtrans-68.630.6-168.3-144.26.3000113.4S100D98-S100 PolarHBondContact O-N 2.86Å
99H43.9Very low56.8Low146 Ų146111.7 Ų111.768%0.67658%0.576SS**  trans-71.9117.7173-69.9-68.2000108.2S97S97-H99 PolarHBondContact O-N 2.88Å
100S44.9Very low59.5Low62 Ų62104.7 Ų104.743%0.43454%0.54SS..  trans-43.3136.8-172.941.10000113.4D98 D102 E103D98-S100 PolarHBondContact O-N 2.86Å; S100-D102 PolarHBondContact O-N 3.13Å; S100-E103 PolarHBondContact O-N 2.73Å
101K49.5Very low62.4Low205 Ų20597.6 Ų97.689%0.89150%0.501SS*.THydrogen-bonded Turntrans-54.4-1.1171.2-71.4176.9176.2173.70115.2
102D47.4Very low65.4Low147 Ų14792.2 Ų92.279%0.78647%0.468SS*.THydrogen-bonded Turntrans-97.2-2.9-176.6-66-38.1000113.9S100S100-D102 PolarHBondContact O-N 3.13Å
103E58Low68.2Low134 Ų13485.5 Ų85.563%0.62644%0.437SS*.  trans-101.56.2-174.6-69.3-172165.900115.5S100S100-E103 PolarHBondContact O-N 2.73Å
104E82.2Confident70.9Confident106 Ų10677.6 Ų77.650%0.49540%0.396SS..  trans-77.9137.5-177.7-139.7174.8165.900112.3M1 N28M1-E104 PolarHBondContact N-O 3.46Å; N28-E104 VanDerWaalsContact ND2-CG 3.34Å; N28-E104 WeakPolarHBondContact ND2-CG 3.48Å; N28-E104 PolarHBondContact ND2-OE1 2.92Å
105T89.7Confident73.8Confident24 Ų2470.1 Ų70.115%0.14736%0.359CS..  trans-85.3122.7174.1-65.50000109.2M1 N28 I107 I202M1-T105 HydrophobicContact CB-CG2 4.44Å; M1-T105 HydrophobicContact CE-CG2 3.73Å; M1-T105 WeakPolarHBondContact O-CA 3.49Å; N28-T105 WeakPolarHBondContact CB-O 3.28Å; N28-T105 PolarHBondContact ND2-O 2.84Å; N28-T105 VanDerWaalsContact ND2-O 3.08Å; T105-I107 HydrophobicContact CG2-CD1 4.49Å; T105-I107 HydrophobicContact CG2-CG1 4.03Å; T105-I202 HydrophobicContact CG2-CG2 4.33Å
106H94.6Very high76.7Confident22 Ų2265 Ų6510%0.10233%0.325CS..EExtended strand (participates in β ladder)trans-105.8132.8172.6-63.6-87.3000109.5M1 Y3 W72 P76 E80M1-H106 PolarHBondContact O-N 3.01Å; Y3-H106 PolarHBondContact N-O 3.27Å; W72-H106 HydrophobicContact CH2-CB 4.45Å; W72-H106 WeakPolarHBondContact CH2-O 3.35Å; W72-H106 HydrophobicContact CZ2-CB 3.78Å; P76-H106 HydrophobicContact CB-CB 3.69Å; P76-H106 HydrophobicContact CG-CB 4.1Å; E80-H106 IonicContact OE1-CE1 3.67Å; E80-H106 IonicContact OE1-CG 3.69Å; E80-H106 IonicContact OE1-ND1 3.83Å; E80-H106 PolarHBondContact OE1-ND1 3.34Å; E80-H106 IonicContact OE2-CE1 3.69Å; E80-H106 IonicContact OE2-ND1 2.75Å
107I96.4Very high79.4Confident2 Ų257.3 Ų57.31%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-117.5131.6-174.8-59.2169.7000109.5Y3 I5 L26 N28 C29 C30 T105 I202Y3-I107 CarbonylContact O-C 3.58Å; Y3-I107 VanDerWaalsContact O-CA 3.31Å; Y3-I107 WeakPolarHBondContact O-CA 3.4Å; I5-I107 HydrophobicContact CD1-CG2 3.75Å; I5-I107 HydrophobicContact CG1-CG2 4.45Å; L26-I107 HydrophobicContact CB-CD1 4.02Å; L26-I107 HydrophobicContact CD1-CD1 4.38Å; L26-I107 HydrophobicContact CD1-CG2 4.42Å; L26-I107 HydrophobicContact CD2-CD1 4.07Å; L26-I107 HydrophobicContact CG-CD1 4.39Å; N28-I107 PolarHBondContact O-N 2.75Å; C29-I107 CarbonylContact C-O 3.59Å; C29-I107 WeakPolarHBondContact CA-O 3.36Å; C29-I107 HydrophobicContact CB-CB 4.37Å; C30-I107 PolarHBondContact N-O 3.29Å; T105-I107 HydrophobicContact CG2-CD1 4.49Å; T105-I107 HydrophobicContact CG2-CG1 4.03Å; I107-I202 HydrophobicContact CD1-CD1 3.62Å; I107-I202 HydrophobicContact CG1-CD1 4.12Å
108L97.9Very high82.1Confident0 Ų055.6 Ų55.60%028%0.276CS..EExtended strand (participates in β ladder)trans-115123.9168.7-17566.2000109.6Y3 I4 I5 C30 V32 I69 W72 V110Y3-L108 PolarHBondContact O-N 2.85Å; I4-L108 CarbonylContact C-O 3.53Å; I4-L108 WeakPolarHBondContact CA-O 3.13Å; I4-L108 HydrophobicContact CD1-CD2 4.47Å; I4-L108 HydrophobicContact CG1-CB 4.27Å; I4-L108 HydrophobicContact CG2-CB 4.27Å; I4-L108 HydrophobicContact CG2-CD2 4.25Å; I4-L108 HydrophobicContact CG2-CG 4.45Å; I5-L108 PolarHBondContact N-O 2.74Å; C30-L108 HydrophobicContact CB-CD1 3.69Å; V32-L108 HydrophobicContact CG2-CD1 4.06Å; I69-L108 HydrophobicContact CG1-CD2 4.27Å; I69-L108 HydrophobicContact CG2-CD2 4.18Å; W72-L108 HydrophobicContact CB-CD2 4.22Å; W72-L108 HydrophobicContact CD2-CB 3.74Å; W72-L108 HydrophobicContact CD2-CD1 4.33Å; W72-L108 HydrophobicContact CD2-CD2 3.89Å; W72-L108 HydrophobicContact CD2-CG 4.2Å; W72-L108 HydrophobicContact CE3-CB 3.86Å; W72-L108 HydrophobicContact CE3-CD2 3.85Å; W72-L108 HydrophobicContact CE3-CG 4.43Å; W72-L108 HydrophobicContact CG-CB 4.41Å; W72-L108 HydrophobicContact CG-CD1 4.13Å; W72-L108 HydrophobicContact CG-CD2 4.03Å; W72-L108 HydrophobicContact CG-CG 4.43Å; W72-L108 HydrophobicContact CH2-CB 3.8Å; W72-L108 HydrophobicContact CZ2-CB 3.68Å; W72-L108 HydrophobicContact CZ3-CB 3.9Å; L108-V110 HydrophobicContact CD2-CG2 3.99Å; L108-V110 HydrophobicContact CG-CG2 4.1Å
109I98.5Very high84.7Confident0 Ų052.3 Ų52.30%026%0.255CS..EExtended strand (participates in β ladder)trans-95.6126166.3-61.9174.9000108.1I5 I7 T19 L22 I23 L26 C30 V31 V32I5-I109 HydrophobicContact CB-CG1 4.4Å; I5-I109 HydrophobicContact CD1-CG1 4.49Å; I5-I109 CarbonylContact O-C 3.56Å; I5-I109 WeakPolarHBondContact O-CA 3.47Å; I7-I109 HydrophobicContact CD1-CG2 3.7Å; I7-I109 HydrophobicContact CG1-CG2 4.02Å; T19-I109 HydrophobicContact CG2-CB 4.43Å; T19-I109 HydrophobicContact CG2-CD1 4.5Å; T19-I109 HydrophobicContact CG2-CG2 3.79Å; L22-I109 HydrophobicContact CB-CD1 3.67Å; L22-I109 HydrophobicContact CD1-CD1 4.15Å; I23-I109 HydrophobicContact CG1-CD1 4.34Å; L26-I109 HydrophobicContact CD1-CD1 4.38Å; C30-I109 PolarHBondContact O-N 3.39Å; V31-I109 CarbonylContact C-O 3.57Å; V31-I109 WeakPolarHBondContact CA-O 3.4Å; V31-I109 HydrophobicContact CG2-CB 4.48Å; V32-I109 PolarHBondContact N-O 2.81Å
110V98.5Very high87.3Confident0 Ų047.3 Ų47.30%024%0.236CC..EExtended strand (participates in β ladder)trans-109.1116.3168.7-175.80000106.9I4 I5 G6 I7 V32 M65 I69 L108 L115 L121 F125I4-V110 HydrophobicContact CG2-CG2 3.96Å; I5-V110 PolarHBondContact O-N 2.86Å; G6-V110 CarbonylContact C-O 3.58Å; G6-V110 WeakPolarHBondContact CA-O 3.4Å; I7-V110 PolarHBondContact N-O 3.01Å; V32-V110 HydrophobicContact CB-CG2 4.43Å; V32-V110 WeakPolarHBondContact O-CA 3.24Å; M65-V110 HydrophobicContact CE-CG1 3.31Å; I69-V110 HydrophobicContact CD1-CG1 4.29Å; I69-V110 HydrophobicContact CD1-CG2 3.98Å; I69-V110 HydrophobicContact CG1-CG2 4.21Å; L108-V110 HydrophobicContact CD2-CG2 3.99Å; L108-V110 HydrophobicContact CG-CG2 4.1Å; V110-L115 HydrophobicContact CG1-CD1 4.38Å; V110-L115 HydrophobicContact CG1-CD2 3.94Å; V110-L115 VanDerWaalsContact O-CD1 3.23Å; V110-L115 WeakPolarHBondContact O-CD1 3.44Å; V110-L121 HydrophobicContact CG1-CD2 4.39Å; V110-F125 HydrophobicContact CB-CE1 3.66Å; V110-F125 HydrophobicContact CB-CZ 4Å; V110-F125 HydrophobicContact CG1-CE1 4.16Å; V110-F125 HydrophobicContact CG1-CZ 4.07Å; V110-F125 HydrophobicContact CG2-CE1 3.82Å
111E97.9Very high89.8Confident7 Ų744.3 Ų44.33%0.03322%0.215CC..EExtended strand (participates in β ladder)trans-114.6142.3178.571.7159.4-157.400112.6I7 T16 T19 V31 V32 H33 Q34I7-E111 HydrophobicContact CB-CB 4.22Å; I7-E111 WeakPolarHBondContact O-CA 3.24Å; T16-E111 WeakPolarHBondContact CA-OE1 3.44Å; T16-E111 WeakPolarHBondContact CA-OE2 3.46Å; T16-E111 VanDerWaalsContact CB-OE1 3.29Å; T16-E111 WeakPolarHBondContact CB-OE1 3.44Å; T16-E111 WeakPolarHBondContact CG2-OE1 3.43Å; T16-E111 PolarHBondContact N-OE2 3.38Å; T16-E111 VanDerWaalsContact N-OE2 3.08Å; T16-E111 PolarHBondContact OG1-OE1 3.45Å; T19-E111 WeakPolarHBondContact CB-OE2 3.33Å; T19-E111 HydrophobicContact CG2-CG 4.37Å; T19-E111 PolarHBondContact OG1-OE2 3Å; V31-E111 HydrophobicContact CG2-CG 4.37Å; V32-E111 PolarHBondContact O-N 3.45Å; H33-E111 IonicContact CE1-OE1 3.4Å; H33-E111 PolarHBondContact CE1-OE1 3.41Å; H33-E111 VanDerWaalsContact CE1-OE1 3.24Å; H33-E111 VanDerWaalsContact ND1-CD 3.34Å; H33-E111 VanDerWaalsContact ND1-CG 3.35Å; H33-E111 WeakPolarHBondContact ND1-CG 3.24Å; H33-E111 IonicContact ND1-OE1 3.39Å; H33-E111 PolarHBondContact ND1-OE1 2.92Å; Q34-E111 WeakPolarHBondContact CB-O 3.31Å; Q34-E111 PolarHBondContact N-O 3.43Å
112G97.8Very high92.1Very high2 Ų235.3 Ų35.32%0.02118%0.176CC..  trans179.5175.9-176.200000111.9I7 G8 K15 Q34I7-G112 PolarHBondContact O-N 2.92Å; I7-G112 VanDerWaalsContact O-N 3.15Å; G8-G112 VanDerWaalsContact CA-O 3.28Å; G8-G112 WeakPolarHBondContact CA-O 3.29Å; K15-G112 WeakPolarHBondContact CD-O 3.32Å; K15-G112 WeakPolarHBondContact CE-O 3.21Å; Q34-G112 VanDerWaalsContact OE1-CA 3.3Å
113F97.1Very high94.5Very high38 Ų3833.7 Ų33.717%0.16717%0.168CC..SBendtrans-107-15.1179.369.6-78.9000113.1G9 F38 D55G9-F113 VanDerWaalsContact O-CA 3.32Å; G9-F113 WeakPolarHBondContact O-CA 3.34Å; G9-F113 VanDerWaalsContact O-CB 3.28Å; G9-F113 WeakPolarHBondContact O-CB 3.39Å; F38-F113 HydrophobicContact CE2-CE1 4.38Å; F38-F113 AromaticContact CZ-CE1 3.8Å; F38-F113 HydrophobicContact CZ-CE1 3.8Å; F38-F113 AromaticContact CZ-CZ 3.93Å; F38-F113 HydrophobicContact CZ-CZ 3.93Å; D55-F113 HydrophobicContact CB-CE2 4.11Å
114L97.5Very high96.4Very high3 Ų328.6 Ų28.62%0.01615%0.145CC..SBendtrans-116.622.2178.5-57.8178.6000113.2V56 I57 L60 Y116 T117 H167V56-L114 VanDerWaalsContact C-CD1 3.49Å; I57-L114 HydrophobicContact CD1-CB 3.67Å; I57-L114 HydrophobicContact CD1-CD1 4.26Å; L60-L114 HydrophobicContact CD1-CD1 4.07Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 3.26Å; L114-T117 PolarHBondContact O-OG1 3.06Å; L114-H167 HydrophobicContact CD2-CB 4.22Å; L114-H167 WeakPolarHBondContact CD2-CD2 3.42Å; L114-H167 WeakPolarHBondContact CD2-NE2 3.4Å
115L98.2Very high97.2Very high1 Ų124 Ų241%0.00512%0.124CC..G310 helixtrans-61.4-36-174.2-58.8-174.7000113.1Q34 M65 V110 L121 F125Q34-L115 HydrophobicContact CB-CD2 4.22Å; M65-L115 HydrophobicContact CE-CD2 3.85Å; V110-L115 HydrophobicContact CG1-CD1 4.38Å; V110-L115 HydrophobicContact CG1-CD2 3.94Å; V110-L115 VanDerWaalsContact O-CD1 3.23Å; V110-L115 WeakPolarHBondContact O-CD1 3.44Å; L115-L121 HydrophobicContact CD2-CD1 3.95Å; L115-F125 HydrophobicContact CB-CE2 4.18Å; L115-F125 HydrophobicContact CB-CZ 4.44Å; L115-F125 HydrophobicContact CD1-CZ 4.28Å
116Y98.1Very high97.5Very high6 Ų626.9 Ų26.92%0.02414%0.139CC..G310 helixtrans-101.219.2-169.6-49.6-40.8000114.1G6 G8 L114 I122 F125 R128 Y129 F130 M171 V176 V178G6-Y116 PolarHBondContact O-OH 2.67Å; G8-Y116 PolarHBondContact N-OH 2.84Å; L114-Y116 VanDerWaalsContact C-N 3.27Å; L114-Y116 PolarHBondContact O-N 3.26Å; Y116-I122 HydrophobicContact CD1-CG1 4.44Å; Y116-F125 HydrophobicContact CD1-CD2 4.27Å; Y116-F125 HydrophobicContact CD1-CE2 4.1Å; Y116-F125 AromaticContact CE1-CD2 3.8Å; Y116-F125 HydrophobicContact CE1-CD2 3.8Å; Y116-F125 AromaticContact CE1-CE2 3.72Å; Y116-F125 HydrophobicContact CE1-CE2 3.72Å; Y116-R128 HydrophobicContact CE1-CB 3.95Å; Y116-R128 HydrophobicContact CE1-CG 3.8Å; Y116-R128 WeakPolarHBondContact OH-CA 3.16Å; Y116-Y129 VanDerWaalsContact CE2-O 3.24Å; Y116-Y129 WeakPolarHBondContact CE2-O 3.22Å; Y116-Y129 PolarHBondContact OH-N 3.04Å; Y116-Y129 PolarHBondContact OH-O 3.05Å; Y116-F130 AromaticContact CD2-CD2 3.62Å; Y116-F130 HydrophobicContact CD2-CD2 3.62Å; Y116-F130 HydrophobicContact CD2-CE2 4.3Å; Y116-F130 HydrophobicContact CE2-CB 4.14Å; Y116-F130 AromaticContact CE2-CD2 3.79Å; Y116-F130 HydrophobicContact CE2-CD2 3.79Å; Y116-F130 HydrophobicContact CE2-CG 4.48Å; Y116-M171 HydrophobicContact CD2-SD 3.68Å; Y116-M171 HydrophobicContact CG-SD 4.22Å; Y116-V176 HydrophobicContact CG-CG1 4.44Å; Y116-V178 HydrophobicContact CD2-CG1 3.71Å; Y116-V178 HydrophobicContact CE2-CG1 3.73Å; Y116-V178 HydrophobicContact CG-CG1 4.23Å
117T96.2Very high97.7Very high41 Ų4126 Ų2625%0.25213%0.134SC..G310 helixtrans-11412.8166.355.40000111.7L114 H167 M170L114-T117 PolarHBondContact O-OG1 3.06Å; T117-H167 HydrophobicContact CG2-CB 3.85Å; T117-H167 WeakPolarHBondContact CG2-O 3.33Å; T117-M170 HydrophobicContact CG2-CB 4.14Å
118Y97.6Very high97.8Very high49 Ų4928.7 Ų28.719%0.19214%0.144CC..  trans-130.6105.8179.9-170.5-112.2000111.3I57 M62 M66 P120 L121 I122I57-Y118 HydrophobicContact CG2-CD2 4.12Å; M62-Y118 HydrophobicContact CB-CE1 3.92Å; M62-Y118 HydrophobicContact CB-CE2 4.14Å; M62-Y118 HydrophobicContact CE-CD1 3.3Å; M62-Y118 HydrophobicContact CE-CD2 4.29Å; M62-Y118 HydrophobicContact CE-CE1 3.73Å; M62-Y118 HydrophobicContact CE-CG 3.6Å; M62-Y118 HydrophobicContact CG-CE1 4.48Å; M62-Y118 HydrophobicContact CG-CE2 4.34Å; M66-Y118 HydrophobicContact CG-CE1 3.86Å; M66-Y118 HydrophobicContact SD-CE1 4.21Å; Y118-P120 HydrophobicContact CD1-CB 4.14Å; Y118-P120 HydrophobicContact CD1-CG 4.15Å; Y118-P120 HydrophobicContact CE1-CB 3.65Å; Y118-P120 HydrophobicContact CE1-CG 3.62Å; Y118-P120 HydrophobicContact CE2-CG 4.26Å; Y118-L121 HydrophobicContact CD1-CB 4.19Å; Y118-L121 HydrophobicContact CD1-CD1 4.04Å; Y118-L121 HydrophobicContact CD1-CG 3.81Å; Y118-L121 WeakPolarHBondContact O-CB 3.28Å; Y118-L121 PolarHBondContact O-N 3.45Å; Y118-L121 VanDerWaalsContact O-N 3.09Å; Y118-I122 PolarHBondContact O-N 2.88Å
119Q97Very high97.8Very high103 Ų10328.7 Ų28.748%0.48114%0.144SC..Hα-helixtrans-53.8-44.5-171.8-166.463.444.800114.4L121 I122 D123Q119-L121 PolarHBondContact O-N 2.91Å; Q119-L121 VanDerWaalsContact O-N 3.15Å; Q119-I122 WeakPolarHBondContact O-CB 3.36Å; Q119-I122 PolarHBondContact O-N 3.34Å; Q119-D123 PolarHBondContact NE2-OD1 2.97Å; Q119-D123 VanDerWaalsContact O-CG 3.25Å; Q119-D123 PolarHBondContact O-N 2.91Å
120P97.9Very high97.8Very high41 Ų4129.2 Ų29.227%0.26615%0.147SC..Hα-helixtrans-59.7-29.6-179.9-2635.8000114.4M66 Y118M66-P120 HydrophobicContact CE-CB 3.86Å; M66-P120 VanDerWaalsContact CE-O 3.29Å; M66-P120 WeakPolarHBondContact CE-O 3.44Å; M66-P120 HydrophobicContact CG-CB 4.28Å; M66-P120 HydrophobicContact SD-CB 4.03Å; Y118-P120 HydrophobicContact CD1-CB 4.14Å; Y118-P120 HydrophobicContact CD1-CG 4.15Å; Y118-P120 HydrophobicContact CE1-CB 3.65Å; Y118-P120 HydrophobicContact CE1-CG 3.62Å; Y118-P120 HydrophobicContact CE2-CG 4.26Å
121L97.9Very high97.8Very high0 Ų029.2 Ų29.20%015%0.147CC..Hα-helixtrans-73.6-44172.8-80.4174.4000111.4M62 M65 M66 I69 V110 L115 Y118 Q119 D123 V124 F125M62-L121 HydrophobicContact CE-CD1 3.47Å; M62-L121 VanDerWaalsContact CE-CD1 3.47Å; M62-L121 HydrophobicContact CE-CG 4.25Å; M65-L121 HydrophobicContact CE-CD1 4.03Å; M65-L121 HydrophobicContact CE-CD2 4.03Å; M65-L121 HydrophobicContact SD-CD1 4.14Å; M66-L121 HydrophobicContact SD-CD2 3.61Å; M66-L121 HydrophobicContact SD-CG 3.81Å; I69-L121 HydrophobicContact CD1-CD2 3.23Å; V110-L121 HydrophobicContact CG1-CD2 4.39Å; L115-L121 HydrophobicContact CD2-CD1 3.95Å; Y118-L121 HydrophobicContact CD1-CB 4.19Å; Y118-L121 HydrophobicContact CD1-CD1 4.04Å; Y118-L121 HydrophobicContact CD1-CG 3.81Å; Y118-L121 WeakPolarHBondContact O-CB 3.28Å; Y118-L121 PolarHBondContact O-N 3.45Å; Y118-L121 VanDerWaalsContact O-N 3.09Å; Q119-L121 PolarHBondContact O-N 2.91Å; Q119-L121 VanDerWaalsContact O-N 3.15Å; L121-D123 PolarHBondContact O-N 3.31Å; L121-V124 WeakPolarHBondContact O-CG2 3.45Å; L121-V124 PolarHBondContact O-N 3.49Å; L121-F125 HydrophobicContact CB-CE2 3.86Å; L121-F125 HydrophobicContact CB-CZ 3.91Å; L121-F125 HydrophobicContact CD2-CE1 4.49Å; L121-F125 HydrophobicContact CD2-CZ 3.99Å; L121-F125 HydrophobicContact CG-CZ 4.42Å; L121-F125 WeakPolarHBondContact O-CD2 3.29Å; L121-F125 WeakPolarHBondContact O-CE2 3.37Å; L121-F125 VanDerWaalsContact O-CG 3.31Å; L121-F125 WeakPolarHBondContact O-CG 3.43Å; L121-F125 PolarHBondContact O-N 3.48Å
122I97.9Very high97.8Very high16 Ų1630.7 Ų30.78%0.08216%0.158CC..Hα-helixtrans-58.2-41.3179.5-63163.5000110.5Y116 Y118 Q119 V124 F125 V176Y116-I122 HydrophobicContact CD1-CG1 4.44Å; Y118-I122 PolarHBondContact O-N 2.88Å; Q119-I122 WeakPolarHBondContact O-CB 3.36Å; Q119-I122 PolarHBondContact O-N 3.34Å; I122-V124 PolarHBondContact O-N 2.82Å; I122-F125 PolarHBondContact O-N 3.07Å; I122-V176 HydrophobicContact CD1-CG1 4.39Å; I122-V176 HydrophobicContact CD1-CG2 3.75Å; I122-V176 HydrophobicContact CG1-CG1 4.41Å; I122-V176 HydrophobicContact CG2-CG1 4.14Å
123D97.7Very high97.8Very high113 Ų11331 Ų3160%0.60416%0.159SC*.Hα-helixtrans-64.6-25.3-177.3-67.8-19.7000113.7Q119 L121Q119-D123 PolarHBondContact NE2-OD1 2.97Å; Q119-D123 VanDerWaalsContact O-CG 3.25Å; Q119-D123 PolarHBondContact O-N 2.91Å; L121-D123 PolarHBondContact O-N 3.31Å
124V97.9Very high97.9Very high26 Ų2633 Ų3316%0.15818%0.175CC..Hα-helixtrans-95.3-12.9-178.6-61.30000113.6I4 M66 I69 Y70 L73 L121 I122I4-V124 HydrophobicContact CD1-CB 4.27Å; M66-V124 HydrophobicContact CE-CG1 4.28Å; I69-V124 HydrophobicContact CG2-CG2 4.24Å; Y70-V124 HydrophobicContact CE1-CG1 4.18Å; L73-V124 HydrophobicContact CD1-CG1 4.33Å; L121-V124 WeakPolarHBondContact O-CG2 3.45Å; L121-V124 PolarHBondContact O-N 3.49Å; I122-V124 PolarHBondContact O-N 2.82Å
125F98.3Very high97.9Very high10 Ų1036 Ų364%0.04419%0.187CC..  trans-79.9124.1-177.1-63.7-36.4000113I4 V110 L115 Y116 L121 I122 R128I4-F125 HydrophobicContact CB-CD1 4.45Å; I4-F125 HydrophobicContact CG2-CD1 3.63Å; I4-F125 HydrophobicContact CG2-CE1 3.96Å; V110-F125 HydrophobicContact CB-CE1 3.66Å; V110-F125 HydrophobicContact CB-CZ 4Å; V110-F125 HydrophobicContact CG1-CE1 4.16Å; V110-F125 HydrophobicContact CG1-CZ 4.07Å; V110-F125 HydrophobicContact CG2-CE1 3.82Å; L115-F125 HydrophobicContact CB-CE2 4.18Å; L115-F125 HydrophobicContact CB-CZ 4.44Å; L115-F125 HydrophobicContact CD1-CZ 4.28Å; Y116-F125 HydrophobicContact CD1-CD2 4.27Å; Y116-F125 HydrophobicContact CD1-CE2 4.1Å; Y116-F125 AromaticContact CE1-CD2 3.8Å; Y116-F125 HydrophobicContact CE1-CD2 3.8Å; Y116-F125 AromaticContact CE1-CE2 3.72Å; Y116-F125 HydrophobicContact CE1-CE2 3.72Å; L121-F125 HydrophobicContact CB-CE2 3.86Å; L121-F125 HydrophobicContact CB-CZ 3.91Å; L121-F125 HydrophobicContact CD2-CE1 4.49Å; L121-F125 HydrophobicContact CD2-CZ 3.99Å; L121-F125 HydrophobicContact CG-CZ 4.42Å; L121-F125 WeakPolarHBondContact O-CD2 3.29Å; L121-F125 WeakPolarHBondContact O-CE2 3.37Å; L121-F125 VanDerWaalsContact O-CG 3.31Å; L121-F125 WeakPolarHBondContact O-CG 3.43Å; L121-F125 PolarHBondContact O-N 3.48Å; I122-F125 PolarHBondContact O-N 3.07Å; F125-R128 HydrophobicContact CB-CG 3.69Å; F125-R128 HydrophobicContact CD2-CG 3.94Å; F125-R128 HydrophobicContact CG-CG 4.19Å
126N97.6Very high97.9Very high85 Ų8542.2 Ų42.246%0.45522%0.216SC..SBendtrans-76-31.9169.2-57.1106.5000111.7Y3 I4Y3-N126 WeakPolarHBondContact CA-OD1 3.35Å; Y3-N126 HydrophobicContact CD2-CB 3.86Å; Y3-N126 HydrophobicContact CE1-CB 4.34Å; Y3-N126 HydrophobicContact CE2-CB 3.63Å; Y3-N126 HydrophobicContact CG-CB 4.31Å; I4-N126 PolarHBondContact N-OD1 3.5Å; I4-N126 PolarHBondContact O-N 3.39Å
127Q97.6Very high97.9Very high2 Ų244.6 Ų44.61%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-143.7139.3-178-174.4161.115.100110.5Y3 I4 I5 G6 Y129 D197 K201Y3-Q127 HydrophobicContact CE1-CB 4.15Å; Y3-Q127 PolarHBondContact OH-OE1 2.8Å; I4-Q127 PolarHBondContact O-N 3.3Å; I5-Q127 CarbonylContact C-O 3.59Å; I5-Q127 WeakPolarHBondContact CA-O 3.29Å; G6-Q127 PolarHBondContact N-O 2.74Å; Q127-Y129 VanDerWaalsContact CD-OH 3.28Å; Q127-Y129 HydrophobicContact CG-CD2 4.42Å; Q127-Y129 HydrophobicContact CG-CE2 3.76Å; Q127-Y129 PolarHBondContact NE2-OH 3.42Å; Q127-D197 PolarHBondContact NE2-OD2 2.93Å; Q127-K201 HydrophobicContact CG-CD 4.25Å
128R98.6Very high98Very high59 Ų5942.6 Ų42.622%0.22322%0.215CC..EExtended strand (participates in β ladder)trans-130.8120.8-173.5-66.2167.8-114.8128.9-1.3109.6Y116 F125 D177 V178 L179Y116-R128 HydrophobicContact CE1-CB 3.95Å; Y116-R128 HydrophobicContact CE1-CG 3.8Å; Y116-R128 WeakPolarHBondContact OH-CA 3.16Å; F125-R128 HydrophobicContact CB-CG 3.69Å; F125-R128 HydrophobicContact CD2-CG 3.94Å; F125-R128 HydrophobicContact CG-CG 4.19Å; R128-D177 PolarHBondContact NH1-O 2.89Å; R128-V178 HydrophobicContact CB-CB 4.5Å; R128-V178 HydrophobicContact CB-CG1 4.04Å; R128-L179 PolarHBondContact O-N 2.87Å
129Y98.8Very high98Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-110.2139.9172.4-63.1-75.2000110.3I5 G6 I7 G8 Y116 Q127 L179 L181 V194 D197 I198I5-Y129 HydrophobicContact CG2-CD2 3.71Å; I5-Y129 HydrophobicContact CG2-CE2 3.62Å; G6-Y129 PolarHBondContact O-N 3.16Å; I7-Y129 HydrophobicContact CG1-CD2 4.25Å; G8-Y129 PolarHBondContact N-O 3.38Å; Y116-Y129 VanDerWaalsContact CE2-O 3.24Å; Y116-Y129 WeakPolarHBondContact CE2-O 3.22Å; Y116-Y129 PolarHBondContact OH-N 3.04Å; Y116-Y129 PolarHBondContact OH-O 3.05Å; Q127-Y129 VanDerWaalsContact CD-OH 3.28Å; Q127-Y129 HydrophobicContact CG-CD2 4.42Å; Q127-Y129 HydrophobicContact CG-CE2 3.76Å; Q127-Y129 PolarHBondContact NE2-OH 3.42Å; Y129-L179 WeakPolarHBondContact CA-O 3.41Å; Y129-L179 HydrophobicContact CD1-CB 3.9Å; Y129-L179 HydrophobicContact CD1-CD2 3.78Å; Y129-L179 HydrophobicContact CD1-CG 4.36Å; Y129-L179 HydrophobicContact CE1-CB 4.23Å; Y129-L179 HydrophobicContact CE1-CD2 3.46Å; Y129-L179 VanDerWaalsContact CE1-CD2 3.46Å; Y129-L179 HydrophobicContact CE1-CG 4.45Å; Y129-L181 HydrophobicContact CD1-CD1 3.94Å; Y129-L181 HydrophobicContact CD1-CD2 3.98Å; Y129-L181 HydrophobicContact CD1-CG 4.07Å; Y129-L181 HydrophobicContact CG-CD1 4.03Å; Y129-V194 HydrophobicContact CD2-CG1 4.37Å; Y129-V194 HydrophobicContact CE1-CG1 4.23Å; Y129-V194 HydrophobicContact CE1-CG2 4.4Å; Y129-V194 HydrophobicContact CE2-CG1 3.87Å; Y129-D197 VanDerWaalsContact CE1-OD2 3.31Å; Y129-D197 WeakPolarHBondContact CE1-OD2 3.41Å; Y129-D197 PolarHBondContact OH-OD2 3.09Å; Y129-I198 HydrophobicContact CE2-CD1 4.3Å; Y129-I198 HydrophobicContact CE2-CG1 4.05Å; Y129-I198 VanDerWaalsContact OH-CG1 3.31Å; Y129-I198 WeakPolarHBondContact OH-CG1 3.24Å
130F98.6Very high98Very high12 Ų1244.6 Ų44.65%0.05322%0.224CC..EExtended strand (participates in β ladder)trans-124.9115.5174.7-168-95.7000110.6Y116 Y164 T168 M171 V178 L179 Q180 L181Y116-F130 AromaticContact CD2-CD2 3.62Å; Y116-F130 HydrophobicContact CD2-CD2 3.62Å; Y116-F130 HydrophobicContact CD2-CE2 4.3Å; Y116-F130 HydrophobicContact CE2-CB 4.14Å; Y116-F130 AromaticContact CE2-CD2 3.79Å; Y116-F130 HydrophobicContact CE2-CD2 3.79Å; Y116-F130 HydrophobicContact CE2-CG 4.48Å; F130-Y164 HydrophobicContact CE1-CE2 4.21Å; F130-Y164 AromaticContact CZ-CE2 3.9Å; F130-Y164 HydrophobicContact CZ-CE2 3.9Å; F130-T168 HydrophobicContact CE1-CG2 4.33Å; F130-T168 HydrophobicContact CZ-CG2 4.32Å; F130-M171 HydrophobicContact CD1-CE 4.38Å; F130-M171 HydrophobicContact CD2-CE 4.22Å; F130-M171 HydrophobicContact CD2-SD 3.66Å; F130-M171 HydrophobicContact CE1-CE 4.38Å; F130-M171 HydrophobicContact CE2-CE 4.19Å; F130-M171 HydrophobicContact CE2-SD 3.76Å; F130-M171 HydrophobicContact CG-CE 4.27Å; F130-M171 HydrophobicContact CG-SD 4.19Å; F130-M171 HydrophobicContact CZ-CE 4.27Å; F130-M171 HydrophobicContact CZ-SD 4.4Å; F130-V178 HydrophobicContact CB-CB 3.95Å; F130-V178 HydrophobicContact CB-CG1 4.48Å; F130-V178 HydrophobicContact CB-CG2 3.72Å; F130-V178 HydrophobicContact CG-CG2 4.49Å; F130-L179 PolarHBondContact N-O 2.86Å; F130-Q180 PolarHBondContact O-OE1 2.83Å; F130-L181 PolarHBondContact O-N 3.26Å
131M98.5Very high97.9Very high0 Ų045.6 Ų45.60%022%0.222CC..EExtended strand (participates in β ladder)trans-92.2124.3-178.1-170.9176.9-60.700111.8G8 G9 V10 G14 K15 L18 L181 L190G8-M131 PolarHBondContact O-N 3.15Å; G9-M131 CarbonylContact C-O 3.52Å; G9-M131 WeakPolarHBondContact CA-O 3.3Å; V10-M131 WeakPolarHBondContact CG1-O 3.17Å; V10-M131 PolarHBondContact N-O 3.08Å; G14-M131 PolarHBondContact N-SD 3.22Å; G14-M131 VanDerWaalsContact N-SD 3.44Å; K15-M131 HydrophobicContact CG-CB 4.29Å; K15-M131 HydrophobicContact CG-CE 4.22Å; K15-M131 HydrophobicContact CG-SD 4.04Å; K15-M131 PolarHBondContact N-SD 3.32Å; K15-M131 VanDerWaalsContact N-SD 3.42Å; L18-M131 HydrophobicContact CB-CE 4.39Å; L18-M131 HydrophobicContact CD2-CE 3.84Å; M131-L181 WeakPolarHBondContact CA-O 3.39Å; M131-L181 HydrophobicContact CB-CB 4.42Å; M131-L181 HydrophobicContact CE-CD1 4.45Å; M131-L190 HydrophobicContact CE-CD2 3.7Å; M131-L190 HydrophobicContact SD-CD2 4.5Å
132S97.9Very high97.7Very high38 Ų3846.5 Ų46.527%0.26623%0.225SC..EExtended strand (participates in β ladder)trans-122.3149.7176.561.80000111.5L181 G183S132-L181 PolarHBondContact N-O 2.8Å; S132-G183 PolarHBondContact O-N 2.93Å
133I98Very high97.4Very high7 Ų750.5 Ų50.54%0.03625%0.254CS..  trans-141.2154.2167.657.1177.3000108.2V10 E137 C138 G183 T184V10-I133 HydrophobicContact CG1-CD1 4.39Å; V10-I133 HydrophobicContact CG1-CG1 3.69Å; I133-E137 HydrophobicContact CD1-CG 4.25Å; I133-C138 VanDerWaalsContact CD1-CA 3.46Å; I133-C138 HydrophobicContact CD1-CB 3.78Å; I133-C138 HydrophobicContact CG1-CB 3.87Å; I133-G183 VanDerWaalsContact CG2-CA 3.46Å; I133-T184 HydrophobicContact CB-CG2 4.3Å; I133-T184 HydrophobicContact CG2-CG2 3.99Å
134P98.2Very high97.2Very high80 Ų8049.8 Ų49.852%0.51926%0.258SS..  trans-60.2151.4176.4-23.834.4000112.7E136 E137 C138P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.24Å; P134-E137 PolarHBondContact O-N 3.29Å; P134-E137 VanDerWaalsContact O-N 3.09Å; P134-C138 PolarHBondContact O-N 3.13Å
135Y98.4Very high96.8Very high66 Ų6654.1 Ų54.126%0.25927%0.271SS..Hα-helixtrans-43.7-52.4177.9167.4-93.7000113.1E137 C138 K139 F156 D157 W161Y135-E137 VanDerWaalsContact C-N 3.34Å; Y135-E137 PolarHBondContact O-N 3.46Å; Y135-C138 WeakPolarHBondContact O-CB 3.32Å; Y135-C138 PolarHBondContact O-N 2.73Å; Y135-K139 HydrophobicContact CE1-CD 4.09Å; Y135-K139 WeakPolarHBondContact O-CB 3.18Å; Y135-K139 PolarHBondContact O-N 3.11Å; Y135-K139 PolarHBondContact OH-NZ 2.83Å; Y135-F156 AromaticContact CD2-CE1 3.83Å; Y135-F156 HydrophobicContact CD2-CE1 3.83Å; Y135-F156 HydrophobicContact CE2-CD1 4.06Å; Y135-F156 AromaticContact CE2-CE1 3.56Å; Y135-F156 HydrophobicContact CE2-CE1 3.56Å; Y135-D157 PolarHBondContact OH-OD1 2.98Å; Y135-W161 VanDerWaalsContact CA-CH2 3.47Å; Y135-W161 HydrophobicContact CD2-CB 4.34Å; Y135-W161 AromaticContact CD2-CD1 3.75Å; Y135-W161 AromaticContact CD2-CD2 3.53Å; Y135-W161 HydrophobicContact CD2-CD2 3.53Å; Y135-W161 AromaticContact CD2-CE2 3.64Å; Y135-W161 HydrophobicContact CD2-CE3 4.1Å; Y135-W161 AromaticContact CD2-CG 3.6Å; Y135-W161 HydrophobicContact CD2-CG 3.6Å; Y135-W161 HydrophobicContact CD2-CZ2 4.28Å; Y135-W161 AromaticContact CD2-NE1 3.76Å; Y135-W161 HydrophobicContact CE2-CB 4.32Å; Y135-W161 HydrophobicContact CE2-CD2 4.36Å; Y135-W161 AromaticContact CE2-CG 4Å; Y135-W161 HydrophobicContact CE2-CG 4Å; Y135-W161 HydrophobicContact CG-CD2 4.43Å; Y135-W161 HydrophobicContact CG-CZ2 4.46Å
136E98.1Very high96.2Very high132 Ų13261.1 Ų61.162%0.61731%0.309SS*.Hα-helixtrans-61.6-41.7-176.2-66.5-59156.900112.5P134 K140P134-E136 VanDerWaalsContact C-N 3.31Å; P134-E136 PolarHBondContact O-N 3.24Å; E136-K140 VanDerWaalsContact O-CB 3.23Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 PolarHBondContact O-N 2.94Å
137E97.9Very high95.6Very high56 Ų5659.7 Ų59.726%0.26230%0.298SS..Hα-helixtrans-70.9-38.8178.1-176.859.5-163.300110.7I133 P134 Y135 K140 R141I133-E137 HydrophobicContact CD1-CG 4.25Å; P134-E137 PolarHBondContact O-N 3.29Å; P134-E137 VanDerWaalsContact O-N 3.09Å; Y135-E137 VanDerWaalsContact C-N 3.34Å; Y135-E137 PolarHBondContact O-N 3.46Å; E137-K140 IonicContact OE2-NZ 2.75Å; E137-R141 WeakPolarHBondContact O-CB 3.34Å; E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.28Å; E137-R141 PolarHBondContact O-N 3.45Å; E137-R141 IonicContact OE1-CZ 3.66Å; E137-R141 IonicContact OE1-NE 3.24Å; E137-R141 PolarHBondContact OE1-NE 3.27Å; E137-R141 IonicContact OE1-NH2 3.84Å; E137-R141 PolarHBondContact OE1-NH2 3.15Å
138C97.9Very high94.9Very high0 Ų069.8 Ų69.80%034%0.341CS..Hα-helixtrans-60.8-50.7174.7-171.30000111.4T11 I133 P134 Y135 K140 R141 R142 F156 W161T11-C138 PolarHBondContact O-SG 2.91Å; I133-C138 VanDerWaalsContact CD1-CA 3.46Å; I133-C138 HydrophobicContact CD1-CB 3.78Å; I133-C138 HydrophobicContact CG1-CB 3.87Å; P134-C138 PolarHBondContact O-N 3.13Å; Y135-C138 WeakPolarHBondContact O-CB 3.32Å; Y135-C138 PolarHBondContact O-N 2.73Å; C138-K140 PolarHBondContact O-N 2.75Å; C138-R141 PolarHBondContact O-N 2.72Å; C138-R142 WeakPolarHBondContact O-CB 3.13Å; C138-R142 PolarHBondContact O-N 2.94Å; C138-F156 HydrophobicContact CB-CE2 4.48Å; C138-F156 HydrophobicContact CB-CZ 3.93Å; C138-W161 HydrophobicContact CB-CE3 4.4Å; C138-W161 HydrophobicContact CB-CZ3 3.8Å
139K97.4Very high94.1Very high53 Ų5370.9 Ų70.923%0.2336%0.355CS..Hα-helixtrans-57.6-49.9178.4-170.4169.4-173.9167.20111Y135 R141 R142 C143 F156 D157Y135-K139 HydrophobicContact CE1-CD 4.09Å; Y135-K139 WeakPolarHBondContact O-CB 3.18Å; Y135-K139 PolarHBondContact O-N 3.11Å; Y135-K139 PolarHBondContact OH-NZ 2.83Å; K139-R141 PolarHBondContact O-N 3.41Å; K139-R142 PolarHBondContact O-N 2.95Å; K139-C143 WeakPolarHBondContact O-CB 3.09Å; K139-C143 PolarHBondContact O-N 2.76Å; K139-C143 PolarHBondContact O-SG 2.74Å; K139-F156 HydrophobicContact CB-CD1 3.82Å; K139-F156 HydrophobicContact CB-CE1 3.46Å; K139-F156 VanDerWaalsContact CB-CE1 3.46Å; K139-F156 HydrophobicContact CB-CZ 3.89Å; K139-F156 HydrophobicContact CD-CD1 3.85Å; K139-F156 HydrophobicContact CD-CE1 4.15Å; K139-F156 HydrophobicContact CG-CD1 3.62Å; K139-F156 HydrophobicContact CG-CE1 3.84Å; K139-F156 HydrophobicContact CG-CG 4.18Å; K139-D157 WeakPolarHBondContact CE-OD1 3.18Å; K139-D157 WeakPolarHBondContact CE-OD2 3.48Å; K139-D157 IonicContact NZ-OD1 2.68Å; K139-D157 PolarHBondContact NZ-OD1 2.97Å; K139-D157 IonicContact NZ-OD2 3.95Å; K139-D157 PolarHBondContact NZ-OD2 3.29Å
140K96.8Very high93.6Very high141 Ų14175.6 Ų75.661%0.61339%0.385SS*.Hα-helixtrans-56.6-48.9176.8179.2-174.8172-167.50111.9E136 E137 C138 S144E136-K140 VanDerWaalsContact O-CB 3.23Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 PolarHBondContact O-N 2.94Å; E137-K140 IonicContact OE2-NZ 2.75Å; C138-K140 PolarHBondContact O-N 2.75Å; K140-S144 PolarHBondContact O-N 2.57Å
141R95.8Very high93.3Very high61 Ų6177.6 Ų77.623%0.2340%0.397CS..Hα-helixtrans-64.6-41.2178.7-70.6179.8-173.5-174.76.8111.8N12 G13 E137 C138 K139 S144 R145 G183N12-R141 HydrophobicContact CB-CB 3.8Å; N12-R141 PolarHBondContact ND2-O 3.21Å; N12-R141 VanDerWaalsContact O-CD 3.24Å; N12-R141 WeakPolarHBondContact O-CD 3.37Å; N12-R141 PolarHBondContact O-NH1 3.33Å; G13-R141 PolarHBondContact O-NH1 3.5Å; E137-R141 WeakPolarHBondContact O-CB 3.34Å; E137-R141 VanDerWaalsContact O-CG 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.28Å; E137-R141 PolarHBondContact O-N 3.45Å; E137-R141 IonicContact OE1-CZ 3.66Å; E137-R141 IonicContact OE1-NE 3.24Å; E137-R141 PolarHBondContact OE1-NE 3.27Å; E137-R141 IonicContact OE1-NH2 3.84Å; E137-R141 PolarHBondContact OE1-NH2 3.15Å; C138-R141 PolarHBondContact O-N 2.72Å; K139-R141 PolarHBondContact O-N 3.41Å; R141-S144 PolarHBondContact O-N 3.08Å; R141-S144 PolarHBondContact O-OG 2.92Å; R141-R145 PolarHBondContact O-N 3.27Å; R141-G183 PolarHBondContact NH1-O 3.42Å; R141-G183 VanDerWaalsContact NH1-O 3.13Å; R141-G183 PolarHBondContact NH2-O 3.49Å
142R94.6Very high93.1Very high19 Ų1980.7 Ų80.77%0.07242%0.417CS..Hα-helixtrans-63.3-48.1177.9-179.1129.4-179.3176.36111.3C138 K139 S144 R145 Y147 D151 F156C138-R142 WeakPolarHBondContact O-CB 3.13Å; C138-R142 PolarHBondContact O-N 2.94Å; K139-R142 PolarHBondContact O-N 2.95Å; R142-S144 PolarHBondContact O-N 3.08Å; R142-R145 WeakPolarHBondContact O-CB 3.29Å; R142-R145 PolarHBondContact O-N 3.12Å; R142-Y147 HydrophobicContact CG-CE2 4.13Å; R142-D151 IonicContact CZ-OD1 3.3Å; R142-D151 IonicContact CZ-OD2 3.88Å; R142-D151 IonicContact NE-OD1 2.73Å; R142-D151 IonicContact NE-OD2 2.76Å; R142-D151 PolarHBondContact NE-OD2 3.25Å; R142-D151 IonicContact NH2-OD1 3.44Å; R142-D151 PolarHBondContact NH2-OD1 3.3Å; R142-D151 IonicContact NH2-OD2 3.92Å; R142-D151 PolarHBondContact NH2-OD2 3.35Å; R142-F156 HydrophobicContact CB-CD2 4.08Å; R142-F156 HydrophobicContact CB-CE2 4.11Å; R142-F156 HydrophobicContact CG-CD2 3.93Å; R142-F156 HydrophobicContact CG-CE2 4.36Å
143C91.9Very high92.9Very high100 Ų10085 Ų8568%0.67644%0.444SS*.Hα-helixtrans-59.7-28.5176-68.50000113.2K139K139-C143 WeakPolarHBondContact O-CB 3.09Å; K139-C143 PolarHBondContact O-N 2.76Å; K139-C143 PolarHBondContact O-SG 2.74Å
144S91.8Very high92.8Very high99 Ų9986.7 Ų86.769%0.69246%0.463SS*.THydrogen-bonded Turntrans-83.4-10.9177.273.40000114.4K140 R141 R142K140-S144 PolarHBondContact O-N 2.57Å; R141-S144 PolarHBondContact O-N 3.08Å; R141-S144 PolarHBondContact O-OG 2.92Å; R142-S144 PolarHBondContact O-N 3.08Å
145R89.9Confident92.7Very high116 Ų11683.6 Ų83.644%0.43844%0.442SS..SBendtrans-86.6131.9-176.3-174.2162.2-178.3175.4-1.7110.8N12 R141 R142 Y147N12-R145 WeakPolarHBondContact ND2-CD 3.47Å; R141-R145 PolarHBondContact O-N 3.27Å; R142-R145 WeakPolarHBondContact O-CB 3.29Å; R142-R145 PolarHBondContact O-N 3.12Å; R145-Y147 HydrophobicContact CB-CD2 4.35Å; R145-Y147 HydrophobicContact CB-CE2 3.87Å; R145-Y147 HydrophobicContact CG-CD2 4.31Å; R145-Y147 HydrophobicContact CG-CE1 4.41Å; R145-Y147 HydrophobicContact CG-CE2 3.99Å; R145-Y147 PolarHBondContact O-N 2.95Å
146N86.8Confident92.6Very high157 Ų15781.1 Ų81.184%0.8443%0.432SS*.  trans-86.596174.4-164.530000110.3
147Y83.3Confident92.6Very high56 Ų5678.1 Ų78.122%0.2242%0.42CS..  trans-78.5152.6172.4-68.2-82.7000111N12 R142 R145 V149N12-Y147 PolarHBondContact OD1-OH 2.85Å; R142-Y147 HydrophobicContact CG-CE2 4.13Å; R145-Y147 HydrophobicContact CB-CD2 4.35Å; R145-Y147 HydrophobicContact CB-CE2 3.87Å; R145-Y147 HydrophobicContact CG-CD2 4.31Å; R145-Y147 HydrophobicContact CG-CE1 4.41Å; R145-Y147 HydrophobicContact CG-CE2 3.99Å; R145-Y147 PolarHBondContact O-N 2.95Å; Y147-V149 WeakPolarHBondContact CB-O 3.4Å; Y147-V149 PolarHBondContact O-N 3.02Å
148K82.9Confident92.5Very high213 Ų21377.2 Ų77.293%0.92643%0.426SS*.SBendtrans-59.9-39.3175.7-176.2-179.7178.2-176.50111.6
149V83.6Confident92.5Very high83 Ų8377.3 Ų77.350%0.50343%0.427SS..SBendtrans-110.2117.6168.6-179.10000106.4Y147Y147-V149 WeakPolarHBondContact CB-O 3.4Å; Y147-V149 PolarHBondContact O-N 3.02Å
150P87.8Confident92.5Very high99 Ų9974.8 Ų74.864%0.64342%0.416SS*.PPolyproline II helixtrans-59.8142.4177.9-24.934.6000112
151D92.2Very high92.5Very high54 Ų5469.6 Ų69.629%0.28939%0.392SS..PPolyproline II helixtrans-61.4126.8172.6-75.9-13.4000109.3R142 L155R142-D151 IonicContact CZ-OD1 3.3Å; R142-D151 IonicContact CZ-OD2 3.88Å; R142-D151 IonicContact NE-OD1 2.73Å; R142-D151 IonicContact NE-OD2 2.76Å; R142-D151 PolarHBondContact NE-OD2 3.25Å; R142-D151 IonicContact NH2-OD1 3.44Å; R142-D151 PolarHBondContact NH2-OD1 3.3Å; R142-D151 IonicContact NH2-OD2 3.92Å; R142-D151 PolarHBondContact NH2-OD2 3.35Å; D151-L155 HydrophobicContact CB-CB 4.3Å; D151-L155 HydrophobicContact CB-CD2 3.73Å; D151-L155 WeakPolarHBondContact OD1-CD2 3.36Å
152P93.1Very high92.7Very high65 Ų6569.3 Ų69.342%0.42240%0.398SS..PPolyproline II helixtrans-64.9158172.524.5-33000111.6F51 G154 L155F51-P152 HydrophobicContact CD1-CG 4.01Å; F51-P152 HydrophobicContact CE1-CG 4.13Å; P152-G154 PolarHBondContact O-N 2.97Å; P152-L155 HydrophobicContact CG-CB 4.09Å; P152-L155 HydrophobicContact CG-CD1 4.2Å; P152-L155 VanDerWaalsContact O-CB 3.3Å; P152-L155 WeakPolarHBondContact O-CB 3.29Å; P152-L155 PolarHBondContact O-N 3.48Å; P152-L155 VanDerWaalsContact O-N 3.11Å
153P94.3Very high92.8Very high129 Ų12969.2 Ų69.284%0.83840%0.399SS*.THydrogen-bonded Turntrans-52.2132.4177.1-26.134.8000112L155P153-L155 VanDerWaalsContact C-N 3.27Å; P153-L155 PolarHBondContact O-N 2.93Å
154G95.7Very high93.1Very high42 Ų4266.3 Ų66.343%0.43337%0.374SS..THydrogen-bonded Turntrans79.4-5.2178.400000115.8P152 F156 D157 G158P152-G154 PolarHBondContact O-N 2.97Å; G154-F156 VanDerWaalsContact C-N 3.27Å; G154-F156 PolarHBondContact O-N 2.77Å; G154-D157 PolarHBondContact O-N 2.87Å; G154-G158 PolarHBondContact O-N 2.79Å
155L96.1Very high93.4Very high15 Ų1566.5 Ų66.58%0.07936%0.364CS..Hα-helixtrans-53.2-44.5-177.8-176.876.3000112.6F51 D151 P152 P153 D157 H159 V160F51-L155 HydrophobicContact CB-CD1 3.76Å; F51-L155 HydrophobicContact CD1-CB 4.32Å; F51-L155 HydrophobicContact CD1-CD1 3.42Å; F51-L155 VanDerWaalsContact CD1-CD1 3.42Å; F51-L155 HydrophobicContact CD1-CG 4.47Å; F51-L155 HydrophobicContact CD2-CD1 4.48Å; F51-L155 HydrophobicContact CE1-CB 4.16Å; F51-L155 HydrophobicContact CE1-CD1 4.11Å; F51-L155 HydrophobicContact CG-CD1 3.63Å; D151-L155 HydrophobicContact CB-CB 4.3Å; D151-L155 HydrophobicContact CB-CD2 3.73Å; D151-L155 WeakPolarHBondContact OD1-CD2 3.36Å; P152-L155 HydrophobicContact CG-CB 4.09Å; P152-L155 HydrophobicContact CG-CD1 4.2Å; P152-L155 VanDerWaalsContact O-CB 3.3Å; P152-L155 WeakPolarHBondContact O-CB 3.29Å; P152-L155 PolarHBondContact O-N 3.48Å; P152-L155 VanDerWaalsContact O-N 3.11Å; P153-L155 VanDerWaalsContact C-N 3.27Å; P153-L155 PolarHBondContact O-N 2.93Å; L155-D157 PolarHBondContact O-N 2.92Å; L155-H159 HydrophobicContact CD1-CB 4.04Å; L155-H159 WeakPolarHBondContact O-CA 3.45Å; L155-H159 WeakPolarHBondContact O-CB 3.48Å; L155-H159 PolarHBondContact O-N 3.34Å; L155-V160 HydrophobicContact CD2-CG2 4.05Å; L155-V160 HydrophobicContact CG-CG2 3.97Å; L155-V160 PolarHBondContact O-N 2.87Å; L155-V160 VanDerWaalsContact O-N 3.09Å
156F96.9Very high93.8Very high13 Ų1365.7 Ų65.76%0.05736%0.364CS..Iπ-helixtrans-61.7-47.5-175.1-172.9-94000111.8Y135 C138 K139 R142 G154 V160 W161Y135-F156 AromaticContact CD2-CE1 3.83Å; Y135-F156 HydrophobicContact CD2-CE1 3.83Å; Y135-F156 HydrophobicContact CE2-CD1 4.06Å; Y135-F156 AromaticContact CE2-CE1 3.56Å; Y135-F156 HydrophobicContact CE2-CE1 3.56Å; C138-F156 HydrophobicContact CB-CE2 4.48Å; C138-F156 HydrophobicContact CB-CZ 3.93Å; K139-F156 HydrophobicContact CB-CD1 3.82Å; K139-F156 HydrophobicContact CB-CE1 3.46Å; K139-F156 VanDerWaalsContact CB-CE1 3.46Å; K139-F156 HydrophobicContact CB-CZ 3.89Å; K139-F156 HydrophobicContact CD-CD1 3.85Å; K139-F156 HydrophobicContact CD-CE1 4.15Å; K139-F156 HydrophobicContact CG-CD1 3.62Å; K139-F156 HydrophobicContact CG-CE1 3.84Å; K139-F156 HydrophobicContact CG-CG 4.18Å; R142-F156 HydrophobicContact CB-CD2 4.08Å; R142-F156 HydrophobicContact CB-CE2 4.11Å; R142-F156 HydrophobicContact CG-CD2 3.93Å; R142-F156 HydrophobicContact CG-CE2 4.36Å; G154-F156 VanDerWaalsContact C-N 3.27Å; G154-F156 PolarHBondContact O-N 2.77Å; F156-V160 HydrophobicContact CD2-CB 4.13Å; F156-V160 HydrophobicContact CD2-CG1 3.93Å; F156-V160 HydrophobicContact CE2-CG1 3.98Å; F156-V160 PolarHBondContact O-N 3.45Å; F156-W161 HydrophobicContact CD1-CB 4.45Å; F156-W161 HydrophobicContact CE1-CB 4.05Å; F156-W161 HydrophobicContact CE1-CE3 4.22Å; F156-W161 HydrophobicContact CE1-CG 4.49Å; F156-W161 HydrophobicContact CZ-CB 4.34Å; F156-W161 HydrophobicContact CZ-CD2 4.47Å; F156-W161 AromaticContact CZ-CE3 3.74Å; F156-W161 HydrophobicContact CZ-CE3 3.74Å; F156-W161 HydrophobicContact CZ-CZ3 4.48Å; F156-W161 WeakPolarHBondContact O-CB 3.46Å; F156-W161 PolarHBondContact O-N 3.35Å
157D97.5Very high94.3Very high69 Ų6959.1 Ų59.137%0.36933%0.328SS..Iπ-helixtrans-78.4-36.3-175.8-58.3-40.8000112.1Y135 K139 G154 L155 P162Y135-D157 PolarHBondContact OH-OD1 2.98Å; K139-D157 WeakPolarHBondContact CE-OD1 3.18Å; K139-D157 WeakPolarHBondContact CE-OD2 3.48Å; K139-D157 IonicContact NZ-OD1 2.68Å; K139-D157 PolarHBondContact NZ-OD1 2.97Å; K139-D157 IonicContact NZ-OD2 3.95Å; K139-D157 PolarHBondContact NZ-OD2 3.29Å; G154-D157 PolarHBondContact O-N 2.87Å; L155-D157 PolarHBondContact O-N 2.92Å; D157-P162 WeakPolarHBondContact O-CD 3.11Å; D157-P162 WeakPolarHBondContact O-CG 3.42Å
158G96.9Very high95Very high37 Ų3757.4 Ų57.438%0.38132%0.323SS..Iπ-helixtrans-87-21.3-175.100000114.6G154G154-G158 PolarHBondContact O-N 2.79Å
159H97.1Very high95.7Very high2 Ų252.4 Ų52.41%0.00930%0.303CS..Iπ-helixtrans-134.3-61.9-174.9-172.570.1000113.1D49 F51 Q53 D55 L155 W161 P162 M163D49-H159 IonicContact OD2-CE1 3.54Å; D49-H159 IonicContact OD2-CG 3.05Å; D49-H159 IonicContact OD2-ND1 2.81Å; D49-H159 PolarHBondContact OD2-ND1 2.93Å; F51-H159 HydrophobicContact CB-CB 4.06Å; F51-H159 HydrophobicContact CD2-CB 3.74Å; F51-H159 HydrophobicContact CE2-CB 4.48Å; F51-H159 HydrophobicContact CG-CB 4.06Å; Q53-H159 VanDerWaalsContact CD-CE1 3.42Å; Q53-H159 PolarHBondContact NE2-CE1 2.88Å; Q53-H159 PolarHBondContact NE2-ND1 3.42Å; Q53-H159 PolarHBondContact OE1-CE1 3.46Å; Q53-H159 VanDerWaalsContact OE1-CE1 3.29Å; D55-H159 IonicContact OD2-CD2 3.78Å; D55-H159 PolarHBondContact OD2-CD2 3.02Å; D55-H159 IonicContact OD2-NE2 2.76Å; L155-H159 HydrophobicContact CD1-CB 4.04Å; L155-H159 WeakPolarHBondContact O-CA 3.45Å; L155-H159 WeakPolarHBondContact O-CB 3.48Å; L155-H159 PolarHBondContact O-N 3.34Å; H159-W161 PolarHBondContact O-N 3.33Å; H159-P162 WeakPolarHBondContact O-CD 3.44Å; H159-M163 VanDerWaalsContact O-CB 3.3Å; H159-M163 WeakPolarHBondContact O-CB 3.33Å; H159-M163 WeakPolarHBondContact O-CG 3.04Å; H159-M163 PolarHBondContact O-N 3.12Å
160V97.2Very high96.3Very high1 Ų152 Ų521%0.00630%0.297CS..Iπ-helixtrans-61.5-51-167.6172.20000112.3T11 L155 F156 M163 Y164T11-V160 HydrophobicContact CG2-CG1 3.82Å; L155-V160 HydrophobicContact CD2-CG2 4.05Å; L155-V160 HydrophobicContact CG-CG2 3.97Å; L155-V160 PolarHBondContact O-N 2.87Å; L155-V160 VanDerWaalsContact O-N 3.09Å; F156-V160 HydrophobicContact CD2-CB 4.13Å; F156-V160 HydrophobicContact CD2-CG1 3.93Å; F156-V160 HydrophobicContact CE2-CG1 3.98Å; F156-V160 PolarHBondContact O-N 3.45Å; V160-M163 PolarHBondContact O-N 3.5Å; V160-Y164 WeakPolarHBondContact O-CB 3.28Å; V160-Y164 PolarHBondContact O-N 2.95Å
161W98.3Very high96.8Very high31 Ų3147.5 Ų47.512%0.11727%0.267CS..Hα-helixtrans-69.2-47.1-177.9-170.6-96000112.4V10 Y135 C138 F156 H159 M163 Y164 E165V10-W161 HydrophobicContact CG2-CZ3 4.03Å; Y135-W161 VanDerWaalsContact CA-CH2 3.47Å; Y135-W161 HydrophobicContact CD2-CB 4.34Å; Y135-W161 AromaticContact CD2-CD1 3.75Å; Y135-W161 AromaticContact CD2-CD2 3.53Å; Y135-W161 HydrophobicContact CD2-CD2 3.53Å; Y135-W161 AromaticContact CD2-CE2 3.64Å; Y135-W161 HydrophobicContact CD2-CE3 4.1Å; Y135-W161 AromaticContact CD2-CG 3.6Å; Y135-W161 HydrophobicContact CD2-CG 3.6Å; Y135-W161 HydrophobicContact CD2-CZ2 4.28Å; Y135-W161 AromaticContact CD2-NE1 3.76Å; Y135-W161 HydrophobicContact CE2-CB 4.32Å; Y135-W161 HydrophobicContact CE2-CD2 4.36Å; Y135-W161 AromaticContact CE2-CG 4Å; Y135-W161 HydrophobicContact CE2-CG 4Å; Y135-W161 HydrophobicContact CG-CD2 4.43Å; Y135-W161 HydrophobicContact CG-CZ2 4.46Å; C138-W161 HydrophobicContact CB-CE3 4.4Å; C138-W161 HydrophobicContact CB-CZ3 3.8Å; F156-W161 HydrophobicContact CD1-CB 4.45Å; F156-W161 HydrophobicContact CE1-CB 4.05Å; F156-W161 HydrophobicContact CE1-CE3 4.22Å; F156-W161 HydrophobicContact CE1-CG 4.49Å; F156-W161 HydrophobicContact CZ-CB 4.34Å; F156-W161 HydrophobicContact CZ-CD2 4.47Å; F156-W161 AromaticContact CZ-CE3 3.74Å; F156-W161 HydrophobicContact CZ-CE3 3.74Å; F156-W161 HydrophobicContact CZ-CZ3 4.48Å; F156-W161 WeakPolarHBondContact O-CB 3.46Å; F156-W161 PolarHBondContact O-N 3.35Å; H159-W161 PolarHBondContact O-N 3.33Å; W161-M163 VanDerWaalsContact C-N 3.25Å; W161-M163 PolarHBondContact O-N 3.01Å; W161-Y164 HydrophobicContact CD2-CD1 4.2Å; W161-Y164 AromaticContact CE3-CD1 3.92Å; W161-Y164 HydrophobicContact CE3-CD1 3.92Å; W161-Y164 AromaticContact CH2-CD1 3.87Å; W161-Y164 HydrophobicContact CH2-CD1 3.87Å; W161-Y164 AromaticContact CH2-CE1 3.7Å; W161-Y164 HydrophobicContact CH2-CE1 3.7Å; W161-Y164 HydrophobicContact CZ2-CD1 4.13Å; W161-Y164 HydrophobicContact CZ2-CE1 4.1Å; W161-Y164 AromaticContact CZ3-CD1 3.76Å; W161-Y164 HydrophobicContact CZ3-CD1 3.76Å; W161-Y164 AromaticContact CZ3-CE1 3.95Å; W161-Y164 HydrophobicContact CZ3-CE1 3.95Å; W161-Y164 WeakPolarHBondContact O-CB 3.44Å; W161-Y164 PolarHBondContact O-N 3.24Å; W161-Y164 VanDerWaalsContact O-N 3.11Å; W161-E165 VanDerWaalsContact CD1-CD 3.46Å; W161-E165 PolarHBondContact NE1-OE1 3.39Å; W161-E165 PolarHBondContact O-N 2.92Å
162P98.2Very high97Very high55 Ų5550.8 Ų50.836%0.35728%0.281SS..Hα-helixtrans-54-40.5171.8-28.234.9000113.5D157 H159 E165 K166D157-P162 WeakPolarHBondContact O-CD 3.11Å; D157-P162 WeakPolarHBondContact O-CG 3.42Å; H159-P162 WeakPolarHBondContact O-CD 3.44Å; P162-E165 PolarHBondContact O-N 2.96Å; P162-K166 VanDerWaalsContact O-CB 3.29Å; P162-K166 WeakPolarHBondContact O-CB 3.41Å; P162-K166 PolarHBondContact O-N 2.88Å
163M98Very high97.1Very high17 Ų1754.3 Ų54.38%0.08429%0.292CS..Hα-helixtrans-67.8-41.4177-73.2-52.8-51.500112.1D55 V56 H159 V160 W161 K166 H167D55-M163 HydrophobicContact CB-CB 3.67Å; D55-M163 HydrophobicContact CB-CG 4.02Å; D55-M163 VanDerWaalsContact O-CE 3.28Å; D55-M163 WeakPolarHBondContact O-CE 3.39Å; V56-M163 HydrophobicContact CG1-CE 3.42Å; V56-M163 VanDerWaalsContact CG1-CE 3.42Å; V56-M163 HydrophobicContact CG1-SD 4.37Å; H159-M163 VanDerWaalsContact O-CB 3.3Å; H159-M163 WeakPolarHBondContact O-CB 3.33Å; H159-M163 WeakPolarHBondContact O-CG 3.04Å; H159-M163 PolarHBondContact O-N 3.12Å; V160-M163 PolarHBondContact O-N 3.5Å; W161-M163 VanDerWaalsContact C-N 3.25Å; W161-M163 PolarHBondContact O-N 3.01Å; M163-K166 HydrophobicContact CE-CD 4.04Å; M163-K166 PolarHBondContact O-N 2.87Å; M163-K166 HydrophobicContact SD-CD 4.15Å; M163-H167 WeakPolarHBondContact CE-NE2 3.49Å; M163-H167 PolarHBondContact O-CD2 2.76Å; M163-H167 PolarHBondContact O-N 3.08Å
164Y98.3Very high97.1Very high39 Ų3952.3 Ų52.315%0.15328%0.281CS..Hα-helixtrans-59.1-46.8173.4166.4-104.8000112.3V10 F130 V160 W161 H167 T168V10-Y164 HydrophobicContact CB-CD2 3.91Å; V10-Y164 HydrophobicContact CB-CE1 4.5Å; V10-Y164 HydrophobicContact CB-CE2 3.47Å; V10-Y164 VanDerWaalsContact CB-CE2 3.47Å; V10-Y164 HydrophobicContact CG2-CD1 4.17Å; V10-Y164 HydrophobicContact CG2-CD2 3.82Å; V10-Y164 HydrophobicContact CG2-CE1 4.15Å; V10-Y164 HydrophobicContact CG2-CE2 3.78Å; V10-Y164 HydrophobicContact CG2-CG 4.01Å; F130-Y164 HydrophobicContact CE1-CE2 4.21Å; F130-Y164 AromaticContact CZ-CE2 3.9Å; F130-Y164 HydrophobicContact CZ-CE2 3.9Å; V160-Y164 WeakPolarHBondContact O-CB 3.28Å; V160-Y164 PolarHBondContact O-N 2.95Å; W161-Y164 HydrophobicContact CD2-CD1 4.2Å; W161-Y164 AromaticContact CE3-CD1 3.92Å; W161-Y164 HydrophobicContact CE3-CD1 3.92Å; W161-Y164 AromaticContact CH2-CD1 3.87Å; W161-Y164 HydrophobicContact CH2-CD1 3.87Å; W161-Y164 AromaticContact CH2-CE1 3.7Å; W161-Y164 HydrophobicContact CH2-CE1 3.7Å; W161-Y164 HydrophobicContact CZ2-CD1 4.13Å; W161-Y164 HydrophobicContact CZ2-CE1 4.1Å; W161-Y164 AromaticContact CZ3-CD1 3.76Å; W161-Y164 HydrophobicContact CZ3-CD1 3.76Å; W161-Y164 AromaticContact CZ3-CE1 3.95Å; W161-Y164 HydrophobicContact CZ3-CE1 3.95Å; W161-Y164 WeakPolarHBondContact O-CB 3.44Å; W161-Y164 PolarHBondContact O-N 3.24Å; W161-Y164 VanDerWaalsContact O-N 3.11Å; Y164-H167 PolarHBondContact O-N 2.94Å; Y164-T168 WeakPolarHBondContact CE2-OG1 3.21Å; Y164-T168 WeakPolarHBondContact O-CB 3.38Å; Y164-T168 PolarHBondContact O-N 3.13Å; Y164-T168 PolarHBondContact O-OG1 3.42Å
165E98.4Very high97.1Very high104 Ų10453.3 Ų53.349%0.48629%0.291SS..Hα-helixtrans-61.3-46.9177.9-71.5-178.5141.200111.1W161 P162 H167 T168 Q169W161-E165 VanDerWaalsContact CD1-CD 3.46Å; W161-E165 PolarHBondContact NE1-OE1 3.39Å; W161-E165 PolarHBondContact O-N 2.92Å; P162-E165 PolarHBondContact O-N 2.96Å; E165-H167 PolarHBondContact O-N 3.3Å; E165-T168 PolarHBondContact O-N 2.96Å; E165-Q169 WeakPolarHBondContact O-CB 3.41Å; E165-Q169 PolarHBondContact O-N 2.75Å
166K98Very high97.1Very high99 Ų9953.5 Ų53.543%0.4329%0.293SS..Hα-helixtrans-55.5-48.6176178.8179.7178.3178.70112.2P162 M163 Q169 M170P162-K166 VanDerWaalsContact O-CB 3.29Å; P162-K166 WeakPolarHBondContact O-CB 3.41Å; P162-K166 PolarHBondContact O-N 2.88Å; M163-K166 HydrophobicContact CE-CD 4.04Å; M163-K166 PolarHBondContact O-N 2.87Å; M163-K166 HydrophobicContact SD-CD 4.15Å; K166-Q169 PolarHBondContact O-N 3.4Å; K166-M170 HydrophobicContact CD-CE 4.14Å; K166-M170 HydrophobicContact CG-CE 3.72Å; K166-M170 HydrophobicContact CG-SD 4.39Å; K166-M170 VanDerWaalsContact O-CG 3.3Å; K166-M170 WeakPolarHBondContact O-CG 3.47Å; K166-M170 PolarHBondContact O-N 3.09Å
167H97.5Very high97Very high19 Ų1958.6 Ų58.69%0.08832%0.321CS..Hα-helixtrans-71.1-33.1-179.1-70.6-56.2000113D55 L114 T117 M163 Y164 E165 M170 M171D55-H167 PolarHBondContact O-CD2 3.47Å; D55-H167 PolarHBondContact O-NE2 2.88Å; L114-H167 HydrophobicContact CD2-CB 4.22Å; L114-H167 WeakPolarHBondContact CD2-CD2 3.42Å; L114-H167 WeakPolarHBondContact CD2-NE2 3.4Å; T117-H167 HydrophobicContact CG2-CB 3.85Å; T117-H167 WeakPolarHBondContact CG2-O 3.33Å; M163-H167 WeakPolarHBondContact CE-NE2 3.49Å; M163-H167 PolarHBondContact O-CD2 2.76Å; M163-H167 PolarHBondContact O-N 3.08Å; Y164-H167 PolarHBondContact O-N 2.94Å; E165-H167 PolarHBondContact O-N 3.3Å; H167-M170 PolarHBondContact O-N 2.91Å; H167-M171 WeakPolarHBondContact O-CB 3.36Å; H167-M171 PolarHBondContact O-N 3Å
168T97.1Very high97.1Very high20 Ų2056.2 Ų56.212%0.12331%0.309CS..Hα-helixtrans-64.8-45.9174.3-560000110.1F130 Y164 E165 M170 M171 E172F130-T168 HydrophobicContact CE1-CG2 4.33Å; F130-T168 HydrophobicContact CZ-CG2 4.32Å; Y164-T168 WeakPolarHBondContact CE2-OG1 3.21Å; Y164-T168 WeakPolarHBondContact O-CB 3.38Å; Y164-T168 PolarHBondContact O-N 3.13Å; Y164-T168 PolarHBondContact O-OG1 3.42Å; E165-T168 PolarHBondContact O-N 2.96Å; T168-M170 PolarHBondContact O-N 3.08Å; T168-M171 HydrophobicContact CG2-CE 4.38Å; T168-M171 WeakPolarHBondContact O-CB 3.33Å; T168-M171 PolarHBondContact O-N 3.12Å; T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 3.22Å
169Q97.8Very high97.1Very high107 Ų10757.3 Ų57.350%0.531%0.306SS..Hα-helixtrans-59.2-45.6174.6-177179.60.200111.7E165 K166 M171 E172 E173E165-Q169 WeakPolarHBondContact O-CB 3.41Å; E165-Q169 PolarHBondContact O-N 2.75Å; K166-Q169 PolarHBondContact O-N 3.4Å; Q169-M171 VanDerWaalsContact C-N 3.33Å; Q169-M171 PolarHBondContact O-N 3.43Å; Q169-E172 PolarHBondContact O-N 2.93Å; Q169-E173 HydrophobicContact CG-CG 4.27Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.39Å; Q169-E173 PolarHBondContact NE2-OE1 3.39Å; Q169-E173 WeakPolarHBondContact O-CB 3.36Å; Q169-E173 WeakPolarHBondContact O-CG 3.39Å; Q169-E173 PolarHBondContact O-N 3.45Å
170M97.1Very high97.2Very high75 Ų7561.9 Ų61.937%0.36933%0.327SS..Hα-helixtrans-59.2-42.3176.7-73.217517900112.8T117 K166 H167 T168 S174T117-M170 HydrophobicContact CG2-CB 4.14Å; K166-M170 HydrophobicContact CD-CE 4.14Å; K166-M170 HydrophobicContact CG-CE 3.72Å; K166-M170 HydrophobicContact CG-SD 4.39Å; K166-M170 VanDerWaalsContact O-CG 3.3Å; K166-M170 WeakPolarHBondContact O-CG 3.47Å; K166-M170 PolarHBondContact O-N 3.09Å; H167-M170 PolarHBondContact O-N 2.91Å; T168-M170 PolarHBondContact O-N 3.08Å; M170-S174 VanDerWaalsContact O-CB 3.28Å; M170-S174 WeakPolarHBondContact O-CB 3.22Å; M170-S174 PolarHBondContact O-N 3.06Å; M170-S174 PolarHBondContact O-OG 3.26Å
171M96.9Very high97.2Very high4 Ų462 Ų622%0.0233%0.327CS..Hα-helixtrans-62-45.3176.6176-164.572.700111.2Y116 F130 H167 T168 Q169 S174 G175 V176 V178Y116-M171 HydrophobicContact CD2-SD 3.68Å; Y116-M171 HydrophobicContact CG-SD 4.22Å; F130-M171 HydrophobicContact CD1-CE 4.38Å; F130-M171 HydrophobicContact CD2-CE 4.22Å; F130-M171 HydrophobicContact CD2-SD 3.66Å; F130-M171 HydrophobicContact CE1-CE 4.38Å; F130-M171 HydrophobicContact CE2-CE 4.19Å; F130-M171 HydrophobicContact CE2-SD 3.76Å; F130-M171 HydrophobicContact CG-CE 4.27Å; F130-M171 HydrophobicContact CG-SD 4.19Å; F130-M171 HydrophobicContact CZ-CE 4.27Å; F130-M171 HydrophobicContact CZ-SD 4.4Å; H167-M171 WeakPolarHBondContact O-CB 3.36Å; H167-M171 PolarHBondContact O-N 3Å; T168-M171 HydrophobicContact CG2-CE 4.38Å; T168-M171 WeakPolarHBondContact O-CB 3.33Å; T168-M171 PolarHBondContact O-N 3.12Å; Q169-M171 VanDerWaalsContact C-N 3.33Å; Q169-M171 PolarHBondContact O-N 3.43Å; M171-S174 PolarHBondContact O-N 3.38Å; M171-G175 PolarHBondContact O-N 3.39Å; M171-V176 HydrophobicContact CG-CB 3.87Å; M171-V176 HydrophobicContact CG-CG2 4.24Å; M171-V176 PolarHBondContact O-N 3.44Å; M171-V178 HydrophobicContact CE-CG2 4.05Å; M171-V178 HydrophobicContact SD-CG1 4Å; M171-V178 HydrophobicContact SD-CG2 4.15Å
172E95.9Very high97.2Very high124 Ų12464 Ų6458%0.57934%0.34SS*.Hα-helixtrans-64.4-47178.9-71.7174.5174.600111.8T168 Q169 S174 G175T168-E172 WeakPolarHBondContact O-CG 3.47Å; T168-E172 PolarHBondContact O-N 3.22Å; Q169-E172 PolarHBondContact O-N 2.93Å; E172-S174 VanDerWaalsContact C-N 3.25Å; E172-S174 PolarHBondContact O-N 3.3Å; E172-G175 PolarHBondContact O-N 3.42Å
173E96.8Very high97.2Very high138 Ų13861.5 Ų61.565%0.64533%0.325SS*.Hα-helixtrans-63.3-32.1178-73.1175.4177.400112.5Q169 G175Q169-E173 HydrophobicContact CG-CG 4.27Å; Q169-E173 WeakPolarHBondContact CG-OE1 3.39Å; Q169-E173 PolarHBondContact NE2-OE1 3.39Å; Q169-E173 WeakPolarHBondContact O-CB 3.36Å; Q169-E173 WeakPolarHBondContact O-CG 3.39Å; Q169-E173 PolarHBondContact O-N 3.45Å; E173-G175 PolarHBondContact O-N 2.95Å
174S94.5Very high97.1Very high87 Ų8764 Ų6461%0.60834%0.342SS*.THydrogen-bonded Turntrans-78-4.5176.2-56.70000113.2M170 M171 E172 V176M170-S174 VanDerWaalsContact O-CB 3.28Å; M170-S174 WeakPolarHBondContact O-CB 3.22Å; M170-S174 PolarHBondContact O-N 3.06Å; M170-S174 PolarHBondContact O-OG 3.26Å; M171-S174 PolarHBondContact O-N 3.38Å; E172-S174 VanDerWaalsContact C-N 3.25Å; E172-S174 PolarHBondContact O-N 3.3Å; S174-V176 VanDerWaalsContact C-N 3.3Å; S174-V176 PolarHBondContact O-N 2.9Å
175G95.3Very high97Very high63 Ų6365.7 Ų65.765%0.64935%0.353SS*.THydrogen-bonded Turntrans67.42717800000113.9M171 E172 E173 D177M171-G175 PolarHBondContact O-N 3.39Å; E172-G175 PolarHBondContact O-N 3.42Å; E173-G175 PolarHBondContact O-N 2.95Å; G175-D177 PolarHBondContact O-N 2.97Å; G175-D177 VanDerWaalsContact O-N 3.15Å
176V95.7Very high97Very high19 Ų1964.5 Ų64.512%0.11535%0.353CS..  trans-69113179.4-173.90000109.3Y116 I122 M171 S174 V178Y116-V176 HydrophobicContact CG-CG1 4.44Å; I122-V176 HydrophobicContact CD1-CG1 4.39Å; I122-V176 HydrophobicContact CD1-CG2 3.75Å; I122-V176 HydrophobicContact CG1-CG1 4.41Å; I122-V176 HydrophobicContact CG2-CG1 4.14Å; M171-V176 HydrophobicContact CG-CB 3.87Å; M171-V176 HydrophobicContact CG-CG2 4.24Å; M171-V176 PolarHBondContact O-N 3.44Å; S174-V176 VanDerWaalsContact C-N 3.3Å; S174-V176 PolarHBondContact O-N 2.9Å; V176-V178 HydrophobicContact CG1-CG1 3.96Å; V176-V178 PolarHBondContact O-N 3.39Å
177D95.5Very high96.9Very high120 Ų12066.7 Ų66.764%0.64236%0.362SS*.  trans-68.1118.8176.3175.642.3000110.6R128 G175R128-D177 PolarHBondContact NH1-O 2.89Å; G175-D177 PolarHBondContact O-N 2.97Å; G175-D177 VanDerWaalsContact O-N 3.15Å
178V97.9Very high97Very high20 Ų2071.6 Ų71.612%0.12139%0.385CS..  trans-135.9140179.1-59.30000109.6Y116 R128 F130 M171 V176 Q180Y116-V178 HydrophobicContact CD2-CG1 3.71Å; Y116-V178 HydrophobicContact CE2-CG1 3.73Å; Y116-V178 HydrophobicContact CG-CG1 4.23Å; R128-V178 HydrophobicContact CB-CB 4.5Å; R128-V178 HydrophobicContact CB-CG1 4.04Å; F130-V178 HydrophobicContact CB-CB 3.95Å; F130-V178 HydrophobicContact CB-CG1 4.48Å; F130-V178 HydrophobicContact CB-CG2 3.72Å; F130-V178 HydrophobicContact CG-CG2 4.49Å; M171-V178 HydrophobicContact CE-CG2 4.05Å; M171-V178 HydrophobicContact SD-CG1 4Å; M171-V178 HydrophobicContact SD-CG2 4.15Å; V176-V178 HydrophobicContact CG1-CG1 3.96Å; V176-V178 PolarHBondContact O-N 3.39Å; V178-Q180 PolarHBondContact O-N 3.04Å
179L98.4Very high97Very high60 Ų6075.4 Ų75.431%0.31440%0.402SS..EExtended strand (participates in β ladder)trans-80.4114.5168.1-168.677.8000109.1R128 Y129 F130 L181 F193R128-L179 PolarHBondContact O-N 2.87Å; Y129-L179 WeakPolarHBondContact CA-O 3.41Å; Y129-L179 HydrophobicContact CD1-CB 3.9Å; Y129-L179 HydrophobicContact CD1-CD2 3.78Å; Y129-L179 HydrophobicContact CD1-CG 4.36Å; Y129-L179 HydrophobicContact CE1-CB 4.23Å; Y129-L179 HydrophobicContact CE1-CD2 3.46Å; Y129-L179 VanDerWaalsContact CE1-CD2 3.46Å; Y129-L179 HydrophobicContact CE1-CG 4.45Å; F130-L179 PolarHBondContact N-O 2.86Å; L179-L181 HydrophobicContact CD2-CD2 4.42Å; L179-F193 HydrophobicContact CD2-CE1 3.62Å; L179-F193 HydrophobicContact CD2-CZ 3.83Å
180Q98Very high97Very high97 Ų9771 Ų7145%0.45338%0.381SS..EExtended strand (participates in β ladder)trans-69.4131.7178.5-66.2-66.7-17.500111F130 V178F130-Q180 PolarHBondContact O-OE1 2.83Å; V178-Q180 PolarHBondContact O-N 3.04Å
181L98.4Very high97.1Very high4 Ų468.5 Ų68.52%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-118.9125.8178.2-61.9-175.6000110.1L18 Y129 F130 M131 S132 L179 G183 L190 F193 V194L18-L181 HydrophobicContact CD2-CD1 4.15Å; Y129-L181 HydrophobicContact CD1-CD1 3.94Å; Y129-L181 HydrophobicContact CD1-CD2 3.98Å; Y129-L181 HydrophobicContact CD1-CG 4.07Å; Y129-L181 HydrophobicContact CG-CD1 4.03Å; F130-L181 PolarHBondContact O-N 3.26Å; M131-L181 WeakPolarHBondContact CA-O 3.39Å; M131-L181 HydrophobicContact CB-CB 4.42Å; M131-L181 HydrophobicContact CE-CD1 4.45Å; S132-L181 PolarHBondContact N-O 2.8Å; L179-L181 HydrophobicContact CD2-CD2 4.42Å; L181-G183 PolarHBondContact O-N 3.01Å; L181-L190 HydrophobicContact CB-CD1 4.06Å; L181-L190 HydrophobicContact CD1-CD1 4.21Å; L181-L190 HydrophobicContact CD2-CD1 4.3Å; L181-L190 HydrophobicContact CG-CD1 4.44Å; L181-F193 HydrophobicContact CD2-CD1 3.89Å; L181-F193 HydrophobicContact CD2-CE1 3.65Å; L181-V194 HydrophobicContact CD1-CG2 3.69Å; L181-V194 HydrophobicContact CD2-CG2 3.8Å; L181-V194 HydrophobicContact CG-CG2 4.43Å
182D97.8Very high97.1Very high72 Ų7272.4 Ų72.439%0.38539%0.389SS..EExtended strand (participates in β ladder)trans-78.7105.6171.9-179.5-1.9000110.2T184 L185D182-T184 PolarHBondContact O-N 3.1Å; D182-T184 WeakPolarHBondContact OD1-CA 3.46Å; D182-T184 VanDerWaalsContact OD1-CB 3.23Å; D182-T184 WeakPolarHBondContact OD1-CB 3.42Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.45Å; D182-T184 PolarHBondContact OD1-N 2.8Å; D182-T184 PolarHBondContact OD1-OG1 3.05Å; D182-T184 PolarHBondContact OD2-OG1 3.21Å; D182-T184 VanDerWaalsContact OD2-OG1 3.12Å; D182-L185 HydrophobicContact CB-CD1 4.23Å; D182-L185 HydrophobicContact CB-CG 4.04Å; D182-L185 WeakPolarHBondContact O-CB 3.36Å; D182-L185 WeakPolarHBondContact O-CG 3.23Å; D182-L185 PolarHBondContact O-N 3.13Å
183G97.3Very high97.2Very high4 Ų471.7 Ų71.74%0.04138%0.384CS..THydrogen-bonded Turntrans-75.82.8178.400000114.6S132 I133 R141 L181S132-G183 PolarHBondContact O-N 2.93Å; I133-G183 VanDerWaalsContact CG2-CA 3.46Å; R141-G183 PolarHBondContact NH1-O 3.42Å; R141-G183 VanDerWaalsContact NH1-O 3.13Å; R141-G183 PolarHBondContact NH2-O 3.49Å; L181-G183 PolarHBondContact O-N 3.01Å
184T96.7Very high97.3Very high70 Ų7065.1 Ų65.143%0.42935%0.354SS..THydrogen-bonded Turntrans-86.2-16.4170.776.10000112.5I133 D182I133-T184 HydrophobicContact CB-CG2 4.3Å; I133-T184 HydrophobicContact CG2-CG2 3.99Å; D182-T184 PolarHBondContact O-N 3.1Å; D182-T184 WeakPolarHBondContact OD1-CA 3.46Å; D182-T184 VanDerWaalsContact OD1-CB 3.23Å; D182-T184 WeakPolarHBondContact OD1-CB 3.42Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.45Å; D182-T184 PolarHBondContact OD1-N 2.8Å; D182-T184 PolarHBondContact OD1-OG1 3.05Å; D182-T184 PolarHBondContact OD2-OG1 3.21Å; D182-T184 VanDerWaalsContact OD2-OG1 3.12Å
185L97.1Very high97.5Very high74 Ų7464.1 Ų64.139%0.38734%0.337SS..SBendtrans-60.4157173.7-65.2179.9000112D182 Q189D182-L185 HydrophobicContact CB-CD1 4.23Å; D182-L185 HydrophobicContact CB-CG 4.04Å; D182-L185 WeakPolarHBondContact O-CB 3.36Å; D182-L185 WeakPolarHBondContact O-CG 3.23Å; D182-L185 PolarHBondContact O-N 3.13Å; L185-Q189 HydrophobicContact CB-CB 4.35Å
186T97.2Very high97.6Very high79 Ų7962.4 Ų62.449%0.48532%0.319SS..  trans-63.3152.3173.6670000110.6E188 Q189 L190T186-E188 PolarHBondContact O-N 2.76Å; T186-E188 VanDerWaalsContact O-N 3.1Å; T186-Q189 VanDerWaalsContact N-OE1 3.11Å; T186-Q189 PolarHBondContact O-N 3.12Å; T186-Q189 WeakPolarHBondContact OG1-CB 3.48Å; T186-Q189 VanDerWaalsContact OG1-CD 3.3Å; T186-Q189 VanDerWaalsContact OG1-CG 3.25Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.38Å; T186-Q189 PolarHBondContact OG1-N 3.39Å; T186-Q189 PolarHBondContact OG1-OE1 2.81Å; T186-L190 PolarHBondContact O-N 2.63Å
187K96.9Very high97.8Very high145 Ų14563.1 Ų63.163%0.6332%0.322SS*.Hα-helixtrans-53.3-35.2177.8-63.5177-176.71770112.3T17 R21 F191T17-K187 HydrophobicContact CG2-CD 3.92Å; T17-K187 HydrophobicContact CG2-CG 4.29Å; R21-K187 PolarHBondContact NH1-O 3.33Å; K187-F191 WeakPolarHBondContact O-CB 3.3Å; K187-F191 PolarHBondContact O-N 3.05Å; K187-F191 VanDerWaalsContact O-N 3.12Å
188E97.9Very high97.8Very high121 Ų12157.4 Ų57.457%0.56529%0.292SS*.Hα-helixtrans-73.5-47.7-179.5-173.2176.217800112.7R21 T186 L190 F191 N192R21-E188 VanDerWaalsContact NH1-CA 3.33Å; T186-E188 PolarHBondContact O-N 2.76Å; T186-E188 VanDerWaalsContact O-N 3.1Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.27Å; E188-F191 PolarHBondContact O-N 2.85Å; E188-N192 WeakPolarHBondContact O-CB 3.25Å; E188-N192 VanDerWaalsContact O-CG 3.26Å; E188-N192 PolarHBondContact O-N 3.46Å; E188-N192 PolarHBondContact O-ND2 2.87Å
189Q98Very high97.7Very high101 Ų10159.7 Ų59.747%0.47230%0.303SS..Hα-helixtrans-57.8-48176-73.3166.7-52.600111.2L185 T186 F191 N192 F193L185-Q189 HydrophobicContact CB-CB 4.35Å; T186-Q189 VanDerWaalsContact N-OE1 3.11Å; T186-Q189 PolarHBondContact O-N 3.12Å; T186-Q189 WeakPolarHBondContact OG1-CB 3.48Å; T186-Q189 VanDerWaalsContact OG1-CD 3.3Å; T186-Q189 VanDerWaalsContact OG1-CG 3.25Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.38Å; T186-Q189 PolarHBondContact OG1-N 3.39Å; T186-Q189 PolarHBondContact OG1-OE1 2.81Å; Q189-F191 PolarHBondContact O-N 3.25Å; Q189-N192 PolarHBondContact O-N 2.83Å; Q189-F193 WeakPolarHBondContact O-CB 3.44Å; Q189-F193 PolarHBondContact O-N 3.44Å
190L97.7Very high97.6Very high13 Ų1361 Ų617%0.06831%0.31CS..Hα-helixtrans-63.5-44-179.3-170.966.7000111.7L18 M131 L181 T186 E188 V194L18-L190 HydrophobicContact CB-CD2 4.47Å; L18-L190 HydrophobicContact CD1-CG 4.29Å; L18-L190 HydrophobicContact CD2-CD2 4.18Å; L18-L190 HydrophobicContact CD2-CG 4.21Å; M131-L190 HydrophobicContact CE-CD2 3.7Å; M131-L190 HydrophobicContact SD-CD2 4.5Å; L181-L190 HydrophobicContact CB-CD1 4.06Å; L181-L190 HydrophobicContact CD1-CD1 4.21Å; L181-L190 HydrophobicContact CD2-CD1 4.3Å; L181-L190 HydrophobicContact CG-CD1 4.44Å; T186-L190 PolarHBondContact O-N 2.63Å; E188-L190 VanDerWaalsContact C-N 3.32Å; E188-L190 PolarHBondContact O-N 3.27Å; L190-V194 HydrophobicContact CD1-CG2 4.41Å; L190-V194 WeakPolarHBondContact O-CB 3.33Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.19Å; L190-V194 PolarHBondContact O-N 2.49Å
191F98.5Very high97.4Very high24 Ų2459.9 Ų59.911%0.10530%0.304CS..Hα-helixtrans-62.4-51176.3169.9-98.4000112.1L18 R21 L22 A25 K187 E188 Q189 F193 V194 Y195L18-F191 HydrophobicContact CD1-CB 4.31Å; R21-F191 HydrophobicContact CB-CD2 3.48Å; R21-F191 VanDerWaalsContact CB-CD2 3.48Å; R21-F191 HydrophobicContact CB-CE2 3.78Å; R21-F191 HydrophobicContact CB-CG 4.3Å; R21-F191 VanDerWaalsContact CZ-CB 3.44Å; R21-F191 VanDerWaalsContact CZ-CG 3.46Å; L22-F191 HydrophobicContact CD2-CD2 4.12Å; L22-F191 HydrophobicContact CD2-CE2 4.06Å; L22-F191 HydrophobicContact CG-CD2 4.48Å; A25-F191 HydrophobicContact CB-CE2 3.97Å; A25-F191 HydrophobicContact CB-CZ 3.7Å; K187-F191 WeakPolarHBondContact O-CB 3.3Å; K187-F191 PolarHBondContact O-N 3.05Å; K187-F191 VanDerWaalsContact O-N 3.12Å; E188-F191 PolarHBondContact O-N 2.85Å; Q189-F191 PolarHBondContact O-N 3.25Å; F191-F193 VanDerWaalsContact C-N 3.28Å; F191-F193 PolarHBondContact O-N 3.21Å; F191-V194 PolarHBondContact O-N 2.76Å; F191-Y195 HydrophobicContact CE2-CD2 4.45Å; F191-Y195 HydrophobicContact CE2-CG 4.47Å; F191-Y195 HydrophobicContact CZ-CD2 4.29Å; F191-Y195 HydrophobicContact CZ-CG 4.14Å; F191-Y195 WeakPolarHBondContact O-CB 3.13Å; F191-Y195 PolarHBondContact O-N 2.83Å
192N98.3Very high97.1Very high86 Ų8660.4 Ų60.446%0.4631%0.307SS..Hα-helixtrans-60.5-41.2-177.5-71.4-14.1000111.3E188 Q189 G196E188-N192 WeakPolarHBondContact O-CB 3.25Å; E188-N192 VanDerWaalsContact O-CG 3.26Å; E188-N192 PolarHBondContact O-N 3.46Å; E188-N192 PolarHBondContact O-ND2 2.87Å; Q189-N192 PolarHBondContact O-N 2.83Å; N192-G196 PolarHBondContact O-N 2.82Å; N192-G196 VanDerWaalsContact O-N 3.07Å
193F98.4Very high96.7Very high108 Ų10863.6 Ų63.647%0.47432%0.319SS..Hα-helixtrans-62.7-55.7176.3176.4-101.1000111.9L179 L181 Q189 F191 G196 D197L179-F193 HydrophobicContact CD2-CE1 3.62Å; L179-F193 HydrophobicContact CD2-CZ 3.83Å; L181-F193 HydrophobicContact CD2-CD1 3.89Å; L181-F193 HydrophobicContact CD2-CE1 3.65Å; Q189-F193 WeakPolarHBondContact O-CB 3.44Å; Q189-F193 PolarHBondContact O-N 3.44Å; F191-F193 VanDerWaalsContact C-N 3.28Å; F191-F193 PolarHBondContact O-N 3.21Å; F193-G196 PolarHBondContact O-N 3.26Å; F193-D197 WeakPolarHBondContact O-CB 3.46Å; F193-D197 PolarHBondContact O-N 3.44Å
194V98.4Very high96.4Very high0 Ų071.8 Ų71.80%035%0.354CS..Hα-helixtrans-65.6-43.6-176173.80000111L18 L22 Y129 L181 L190 F191 G196 D197 I198L18-V194 HydrophobicContact CD1-CB 4.27Å; L18-V194 HydrophobicContact CD1-CG2 4.47Å; L18-V194 HydrophobicContact CD2-CB 4.43Å; L18-V194 HydrophobicContact CD2-CG1 4.32Å; L18-V194 HydrophobicContact CD2-CG2 4.01Å; L22-V194 HydrophobicContact CD1-CG1 3.84Å; L22-V194 HydrophobicContact CD2-CG1 4.25Å; Y129-V194 HydrophobicContact CD2-CG1 4.37Å; Y129-V194 HydrophobicContact CE1-CG1 4.23Å; Y129-V194 HydrophobicContact CE1-CG2 4.4Å; Y129-V194 HydrophobicContact CE2-CG1 3.87Å; L181-V194 HydrophobicContact CD1-CG2 3.69Å; L181-V194 HydrophobicContact CD2-CG2 3.8Å; L181-V194 HydrophobicContact CG-CG2 4.43Å; L190-V194 HydrophobicContact CD1-CG2 4.41Å; L190-V194 WeakPolarHBondContact O-CB 3.33Å; L190-V194 VanDerWaalsContact O-CG2 3.28Å; L190-V194 WeakPolarHBondContact O-CG2 3.19Å; L190-V194 PolarHBondContact O-N 2.49Å; F191-V194 PolarHBondContact O-N 2.76Å; V194-G196 PolarHBondContact O-N 2.97Å; V194-D197 PolarHBondContact O-N 3.22Å; V194-I198 HydrophobicContact CG1-CD1 3.74Å; V194-I198 HydrophobicContact CG1-CG1 4.32Å; V194-I198 VanDerWaalsContact O-CG1 3.24Å; V194-I198 WeakPolarHBondContact O-CG1 3.25Å; V194-I198 PolarHBondContact O-N 3.3Å
195Y98.4Very high95.7Very high67 Ų6771.9 Ų71.926%0.26336%0.357SS..Hα-helixtrans-59.7-47.1177.3-179.6-104.9000111.9L22 A25 L26 F191 D197 I198 L199L22-Y195 HydrophobicContact CD2-CD2 4.24Å; A25-Y195 HydrophobicContact CB-CD2 4.02Å; A25-Y195 HydrophobicContact CB-CE2 3.66Å; L26-Y195 HydrophobicContact CD2-CD2 3.91Å; L26-Y195 HydrophobicContact CD2-CE2 3.65Å; L26-Y195 HydrophobicContact CG-CD2 4.23Å; L26-Y195 HydrophobicContact CG-CE2 4.1Å; F191-Y195 HydrophobicContact CE2-CD2 4.45Å; F191-Y195 HydrophobicContact CE2-CG 4.47Å; F191-Y195 HydrophobicContact CZ-CD2 4.29Å; F191-Y195 HydrophobicContact CZ-CG 4.14Å; F191-Y195 WeakPolarHBondContact O-CB 3.13Å; F191-Y195 PolarHBondContact O-N 2.83Å; Y195-D197 PolarHBondContact O-N 3.17Å; Y195-I198 PolarHBondContact O-N 2.73Å; Y195-L199 HydrophobicContact CD1-CD1 4.07Å; Y195-L199 HydrophobicContact CE1-CD1 3.45Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.45Å; Y195-L199 HydrophobicContact CE1-CG 4.24Å; Y195-L199 HydrophobicContact CE2-CD1 4.37Å; Y195-L199 HydrophobicContact CE2-CG 4.42Å; Y195-L199 WeakPolarHBondContact O-CG 3.17Å; Y195-L199 PolarHBondContact O-N 3.38Å
196G97.9Very high94.5Very high26 Ų2676 Ų7627%0.26838%0.379SS..Hα-helixtrans-62.4-42176.800000112.9N192 F193 V194 L199 N200N192-G196 PolarHBondContact O-N 2.82Å; N192-G196 VanDerWaalsContact O-N 3.07Å; F193-G196 PolarHBondContact O-N 3.26Å; V194-G196 PolarHBondContact O-N 2.97Å; G196-L199 PolarHBondContact O-N 3.35Å; G196-N200 WeakPolarHBondContact O-CB 3.41Å; G196-N200 PolarHBondContact O-N 3.11Å; G196-N200 PolarHBondContact O-ND2 3.46Å; G196-N200 VanDerWaalsContact O-ND2 3.09Å
197D98.3Very high94.4Very high35 Ų3575.8 Ų75.819%0.18737%0.373CS..Hα-helixtrans-63.8-42.2176.4-177.257.7000112.2Q127 Y129 F193 V194 Y195 N200 K201Q127-D197 PolarHBondContact NE2-OD2 2.93Å; Y129-D197 VanDerWaalsContact CE1-OD2 3.31Å; Y129-D197 WeakPolarHBondContact CE1-OD2 3.41Å; Y129-D197 PolarHBondContact OH-OD2 3.09Å; F193-D197 WeakPolarHBondContact O-CB 3.46Å; F193-D197 PolarHBondContact O-N 3.44Å; V194-D197 PolarHBondContact O-N 3.22Å; Y195-D197 PolarHBondContact O-N 3.17Å; D197-N200 PolarHBondContact O-N 3.37Å; D197-K201 WeakPolarHBondContact O-CG 3.5Å; D197-K201 PolarHBondContact O-N 3.3Å
198I97.3Very high94.3Very high0 Ų072.2 Ų72.20%036%0.36CS..Hα-helixtrans-58.2-52.5174.6-69.9166.5000110.7I5 L22 L26 Y129 V194 Y195 N200 K201 I202I5-I198 HydrophobicContact CD1-CD1 3.74Å; I5-I198 HydrophobicContact CD1-CG1 3.87Å; I5-I198 HydrophobicContact CD1-CG2 3.82Å; L22-I198 HydrophobicContact CD1-CD1 4.07Å; L22-I198 HydrophobicContact CD2-CD1 3.91Å; L26-I198 HydrophobicContact CD1-CD1 4.15Å; L26-I198 HydrophobicContact CD1-CG2 4.31Å; L26-I198 HydrophobicContact CD2-CG2 3.94Å; Y129-I198 HydrophobicContact CE2-CD1 4.3Å; Y129-I198 HydrophobicContact CE2-CG1 4.05Å; Y129-I198 VanDerWaalsContact OH-CG1 3.31Å; Y129-I198 WeakPolarHBondContact OH-CG1 3.24Å; V194-I198 HydrophobicContact CG1-CD1 3.74Å; V194-I198 HydrophobicContact CG1-CG1 4.32Å; V194-I198 VanDerWaalsContact O-CG1 3.24Å; V194-I198 WeakPolarHBondContact O-CG1 3.25Å; V194-I198 PolarHBondContact O-N 3.3Å; Y195-I198 PolarHBondContact O-N 2.73Å; I198-N200 VanDerWaalsContact C-N 3.31Å; I198-N200 PolarHBondContact O-N 3.32Å; I198-K201 PolarHBondContact O-N 3Å; I198-I202 HydrophobicContact CG2-CD1 3.65Å; I198-I202 HydrophobicContact CG2-CG1 4.33Å; I198-I202 WeakPolarHBondContact O-CB 3.42Å; I198-I202 WeakPolarHBondContact O-CG1 3.39Å; I198-I202 PolarHBondContact O-N 3.18Å
199L95.5Very high94.1Very high67 Ų6769.4 Ų69.435%0.35135%0.348SS..Hα-helixtrans-59.6-43.6-178.8-69.2-176.2000111.7L26 Y195 G196 K201 I202 Q203L26-L199 HydrophobicContact CD2-CD2 4.24Å; Y195-L199 HydrophobicContact CD1-CD1 4.07Å; Y195-L199 HydrophobicContact CE1-CD1 3.45Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.45Å; Y195-L199 HydrophobicContact CE1-CG 4.24Å; Y195-L199 HydrophobicContact CE2-CD1 4.37Å; Y195-L199 HydrophobicContact CE2-CG 4.42Å; Y195-L199 WeakPolarHBondContact O-CG 3.17Å; Y195-L199 PolarHBondContact O-N 3.38Å; G196-L199 PolarHBondContact O-N 3.35Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.29Å; L199-I202 PolarHBondContact O-N 2.87Å; L199-Q203 WeakPolarHBondContact O-CB 3.23Å; L199-Q203 PolarHBondContact O-N 3.22Å
200N95.6Very high93.8Very high88 Ų8867.6 Ų67.647%0.47134%0.341SS..Hα-helixtrans-62.5-39.5178.2-74.2-30.1000112.3G196 D197 I198 K204G196-N200 WeakPolarHBondContact O-CB 3.41Å; G196-N200 PolarHBondContact O-N 3.11Å; G196-N200 PolarHBondContact O-ND2 3.46Å; G196-N200 VanDerWaalsContact O-ND2 3.09Å; D197-N200 PolarHBondContact O-N 3.37Å; I198-N200 VanDerWaalsContact C-N 3.31Å; I198-N200 PolarHBondContact O-N 3.32Å; N200-K204 VanDerWaalsContact O-CG 3.29Å; N200-K204 WeakPolarHBondContact O-CG 3.48Å; N200-K204 PolarHBondContact O-N 2.96Å
201K94.6Very high93.6Very high73 Ų7371 Ų7132%0.31736%0.358SS..Hα-helixtrans-74.7-39.4178.6-68.9-151.6-164.3176.70112.8Y3 Q127 D197 I198 L199 Q203 K204 S205Y3-K201 VanDerWaalsContact OH-CB 3.24Å; Y3-K201 WeakPolarHBondContact OH-CB 3.31Å; Q127-K201 HydrophobicContact CG-CD 4.25Å; D197-K201 WeakPolarHBondContact O-CG 3.5Å; D197-K201 PolarHBondContact O-N 3.3Å; I198-K201 PolarHBondContact O-N 3Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-K201 PolarHBondContact O-N 3.29Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.19Å; K201-K204 PolarHBondContact O-N 3.29Å; K201-S205 PolarHBondContact O-N 3.26Å; K201-S205 VanDerWaalsContact O-N 3.13Å; K201-S205 PolarHBondContact O-OG 3.43Å
202I92.2Very high93.3Very high16 Ų1674.1 Ų74.18%0.08238%0.375CS..Hα-helixtrans-58.1-48.7173-75.1176000109.6M1 Y3 T105 I107 I198 L199 K204 S205 L206M1-I202 HydrophobicContact CE-CB 4.27Å; M1-I202 HydrophobicContact CE-CG1 4.18Å; M1-I202 HydrophobicContact CE-CG2 3.75Å; Y3-I202 HydrophobicContact CD1-CD1 4.02Å; Y3-I202 HydrophobicContact CD1-CG1 3.81Å; Y3-I202 HydrophobicContact CD2-CG1 4.08Å; Y3-I202 HydrophobicContact CE1-CD1 4.34Å; Y3-I202 HydrophobicContact CE1-CG1 3.84Å; Y3-I202 HydrophobicContact CE2-CG1 4.12Å; Y3-I202 HydrophobicContact CG-CD1 4.34Å; Y3-I202 HydrophobicContact CG-CG1 3.92Å; T105-I202 HydrophobicContact CG2-CG2 4.33Å; I107-I202 HydrophobicContact CD1-CD1 3.62Å; I107-I202 HydrophobicContact CG1-CD1 4.12Å; I198-I202 HydrophobicContact CG2-CD1 3.65Å; I198-I202 HydrophobicContact CG2-CG1 4.33Å; I198-I202 WeakPolarHBondContact O-CB 3.42Å; I198-I202 WeakPolarHBondContact O-CG1 3.39Å; I198-I202 PolarHBondContact O-N 3.18Å; L199-I202 PolarHBondContact O-N 2.87Å; I202-K204 VanDerWaalsContact C-N 3.27Å; I202-K204 PolarHBondContact O-N 2.74Å; I202-S205 PolarHBondContact O-N 2.68Å; I202-L206 PolarHBondContact O-N 2.93Å
203Q89.1Confident92.9Very high139 Ų13973.3 Ų73.365%0.6537%0.369SS*.Hα-helixtrans-60.6-34.5179.3-173.2179.58.100113.1L199 K201 S205L199-Q203 WeakPolarHBondContact O-CB 3.23Å; L199-Q203 PolarHBondContact O-N 3.22Å; K201-Q203 VanDerWaalsContact C-N 3.33Å; K201-Q203 PolarHBondContact O-N 3.19Å; Q203-S205 VanDerWaalsContact C-N 3.27Å
204K89.4Confident92.5Very high175 Ų17570.6 Ų70.676%0.76136%0.361SS*.Hα-helixtrans-76-14.2175.9-72.4172.8-177.4178.80113.9N200 K201 I202N200-K204 VanDerWaalsContact O-CG 3.29Å; N200-K204 WeakPolarHBondContact O-CG 3.48Å; N200-K204 PolarHBondContact O-N 2.96Å; K201-K204 PolarHBondContact O-N 3.29Å; I202-K204 VanDerWaalsContact C-N 3.27Å; I202-K204 PolarHBondContact O-N 2.74Å
205S82.1Confident92Very high73 Ų7376.5 Ų76.551%0.5139%0.391SS..Hα-helixtrans-98.5-7.2-178.8-53.10000112.8K201 I202 Q203K201-S205 PolarHBondContact O-N 3.26Å; K201-S205 VanDerWaalsContact O-N 3.13Å; K201-S205 PolarHBondContact O-OG 3.43Å; I202-S205 PolarHBondContact O-N 2.68Å; Q203-S205 VanDerWaalsContact C-N 3.27Å
206L73.6Confident91.4Very high159 Ų15977.4 Ų77.483%0.83240%0.403SS*.  trans-84.70168.7-64.3173.3000110M1 I202M1-L206 HydrophobicContact CB-CD2 4.49Å; M1-L206 HydrophobicContact CE-CD2 4.47Å; M1-L206 HydrophobicContact SD-CD2 3.82Å; M1-L206 HydrophobicContact SD-CG 4.43Å; I202-L206 PolarHBondContact O-N 2.93Å

Retrieved 206 of 206 residues in 429.8 ms (Link to these results)

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