A0A077Z8W7_TRITR Loading...

Calcium load-activated calcium channel

Calcium-selective channel required to prevent calcium stores from overfilling.

AlphaFold DB , UniProt , Accession A0A077Z8W7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 186 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
1M69.2Low84.7Confident138 Ų13880.5 Ų80.568%0.6841%0.407SS*.  0-69.60-67.3-175.3-166.900111.2E3 S4 S5M1-E3 PolarHBondContact O-N 2.82Å; M1-S4 WeakPolarHBondContact O-CB 3.47Å; M1-S4 PolarHBondContact O-N 3.17Å; M1-S4 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-N 3.37Å; M1-S5 PolarHBondContact O-OG 2.67Å
2F78.1Confident85.2Confident157 Ų15773.8 Ų73.869%0.68937%0.373SS*.Hα-helixtrans-58.7-41.4-173.9-170-110.8000114.4S4 S5 I6F2-S4 PolarHBondContact O-N 3.25Å; F2-S5 PolarHBondContact O-N 3.1Å; F2-I6 HydrophobicContact CD1-CD1 3.57Å; F2-I6 HydrophobicContact CD1-CG1 4.39Å; F2-I6 HydrophobicContact CE1-CD1 3.14Å; F2-I6 HydrophobicContact CE1-CG1 4.13Å; F2-I6 HydrophobicContact CE2-CD1 4.31Å; F2-I6 HydrophobicContact CG-CD1 4.34Å; F2-I6 HydrophobicContact CZ-CD1 3.56Å; F2-I6 HydrophobicContact CZ-CG1 4.19Å; F2-I6 WeakPolarHBondContact O-CG1 3.36Å; F2-I6 PolarHBondContact O-N 3.27Å
3E82.6Confident85.6Confident161 Ų16172.2 Ų72.275%0.75237%0.369SS*.Hα-helixtrans-59.1-48174.8-64.3-176.416800111.5M1 S5 I6 C7M1-E3 PolarHBondContact O-N 2.82Å; E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 2.99Å; E3-I6 PolarHBondContact O-N 3.43Å; E3-C7 WeakPolarHBondContact O-CB 3.35Å; E3-C7 PolarHBondContact O-N 3.03Å; E3-C7 PolarHBondContact O-SG 2.98Å
4S83.7Confident85.9Confident27 Ų2770.6 Ų70.619%0.18937%0.367CS..Hα-helixtrans-58.6-46.6174.5-43.20000110.7M1 F2 I6 C7 I8M1-S4 WeakPolarHBondContact O-CB 3.47Å; M1-S4 PolarHBondContact O-N 3.17Å; M1-S4 VanDerWaalsContact O-N 3.1Å; F2-S4 PolarHBondContact O-N 3.25Å; S4-I6 PolarHBondContact O-N 3.19Å; S4-C7 PolarHBondContact O-N 3.18Å; S4-I8 WeakPolarHBondContact O-CB 3.4Å; S4-I8 VanDerWaalsContact O-CD1 3.25Å; S4-I8 WeakPolarHBondContact O-CD1 3.4Å; S4-I8 WeakPolarHBondContact O-CG1 3.19Å; S4-I8 PolarHBondContact O-N 3.19Å
5S84.9Confident86.2Confident23 Ų2366.4 Ų66.416%0.16135%0.345CS..Hα-helixtrans-58.5-46.5178.6-34.30000111.8M1 F2 E3 I8 V9 V111M1-S5 PolarHBondContact O-N 3.37Å; M1-S5 PolarHBondContact O-OG 2.67Å; F2-S5 PolarHBondContact O-N 3.1Å; E3-S5 VanDerWaalsContact C-N 3.35Å; E3-S5 PolarHBondContact O-N 2.99Å; S5-I8 PolarHBondContact O-N 2.76Å; S5-V9 WeakPolarHBondContact O-CG2 3.47Å; S5-V9 PolarHBondContact O-N 3.11Å; S5-V111 PolarHBondContact OG-O 3.27Å
6I87.5Confident86.4Confident87 Ų8762.3 Ų62.345%0.44632%0.324SS..Hα-helixtrans-62.7-47.4177.9-72.1172.9000110.7F2 E3 S4 I8 V9 F10F2-I6 HydrophobicContact CD1-CD1 3.57Å; F2-I6 HydrophobicContact CD1-CG1 4.39Å; F2-I6 HydrophobicContact CE1-CD1 3.14Å; F2-I6 HydrophobicContact CE1-CG1 4.13Å; F2-I6 HydrophobicContact CE2-CD1 4.31Å; F2-I6 HydrophobicContact CG-CD1 4.34Å; F2-I6 HydrophobicContact CZ-CD1 3.56Å; F2-I6 HydrophobicContact CZ-CG1 4.19Å; F2-I6 WeakPolarHBondContact O-CG1 3.36Å; F2-I6 PolarHBondContact O-N 3.27Å; E3-I6 PolarHBondContact O-N 3.43Å; S4-I6 PolarHBondContact O-N 3.19Å; I6-I8 PolarHBondContact O-N 3.31Å; I6-V9 PolarHBondContact O-N 3.31Å; I6-F10 WeakPolarHBondContact O-CB 3.17Å; I6-F10 PolarHBondContact O-N 2.97Å
7C88.4Confident86.6Confident64 Ų6463 Ų6343%0.43233%0.332SS..Hα-helixtrans-57-40.1177.5-73.50000111.2E3 S4 F10 I11E3-C7 WeakPolarHBondContact O-CB 3.35Å; E3-C7 PolarHBondContact O-N 3.03Å; E3-C7 PolarHBondContact O-SG 2.98Å; S4-C7 PolarHBondContact O-N 3.18Å; C7-F10 PolarHBondContact O-N 3.23Å; C7-I11 WeakPolarHBondContact O-CB 3.31Å; C7-I11 WeakPolarHBondContact O-CG1 3.4Å; C7-I11 PolarHBondContact O-N 2.97Å
8I88.4Confident86.8Confident0 Ų065.2 Ų65.20%034%0.343CS..Hα-helixtrans-68.4-43.3178.7-64.9162.9000111.4S4 S5 I6 F10 I11 A12 V111 F140 L143S4-I8 WeakPolarHBondContact O-CB 3.4Å; S4-I8 VanDerWaalsContact O-CD1 3.25Å; S4-I8 WeakPolarHBondContact O-CD1 3.4Å; S4-I8 WeakPolarHBondContact O-CG1 3.19Å; S4-I8 PolarHBondContact O-N 3.19Å; S5-I8 PolarHBondContact O-N 2.76Å; I6-I8 PolarHBondContact O-N 3.31Å; I8-F10 VanDerWaalsContact C-N 3.28Å; I8-F10 PolarHBondContact O-N 2.77Å; I8-I11 PolarHBondContact O-N 3.36Å; I8-A12 VanDerWaalsContact O-CB 3.25Å; I8-A12 WeakPolarHBondContact O-CB 3.01Å; I8-A12 PolarHBondContact O-N 3.35Å; I8-V111 HydrophobicContact CD1-CB 3.48Å; I8-V111 VanDerWaalsContact CD1-CB 3.48Å; I8-V111 HydrophobicContact CD1-CG1 3.39Å; I8-V111 HydrophobicContact CD1-CG2 3.81Å; I8-F140 HydrophobicContact CB-CD2 4.41Å; I8-F140 HydrophobicContact CB-CE2 4.37Å; I8-F140 HydrophobicContact CD1-CD2 3.65Å; I8-F140 HydrophobicContact CD1-CE2 4.37Å; I8-F140 HydrophobicContact CG1-CD2 3.54Å; I8-F140 HydrophobicContact CG1-CE2 3.75Å; I8-F140 HydrophobicContact CG2-CD2 4.01Å; I8-F140 HydrophobicContact CG2-CE2 3.93Å; I8-L143 HydrophobicContact CB-CD2 4.19Å; I8-L143 HydrophobicContact CD1-CD2 4.23Å; I8-L143 HydrophobicContact CG2-CB 4.29Å; I8-L143 HydrophobicContact CG2-CD2 3.98Å; I8-L143 HydrophobicContact CG2-CG 4.01Å
9V89Confident86.9Confident59 Ų5961.7 Ų61.736%0.35833%0.325SS..Hα-helixtrans-63.2-38.9175.4173.20000110.4S5 I6 A12 T13S5-V9 WeakPolarHBondContact O-CG2 3.47Å; S5-V9 PolarHBondContact O-N 3.11Å; I6-V9 PolarHBondContact O-N 3.31Å; V9-A12 PolarHBondContact O-N 3.16Å; V9-T13 WeakPolarHBondContact O-CB 3.26Å; V9-T13 PolarHBondContact O-N 3.09Å; V9-T13 PolarHBondContact O-OG1 3.19Å
10F90.8Very high86.8Confident139 Ų13958.9 Ų58.961%0.6131%0.31SS*.Hα-helixtrans-64.1-49.1174.7-176.2-100.9000111.7I6 C7 I8 A12 T13 C14I6-F10 WeakPolarHBondContact O-CB 3.17Å; I6-F10 PolarHBondContact O-N 2.97Å; C7-F10 PolarHBondContact O-N 3.23Å; I8-F10 VanDerWaalsContact C-N 3.28Å; I8-F10 PolarHBondContact O-N 2.77Å; F10-A12 VanDerWaalsContact C-N 3.31Å; F10-A12 PolarHBondContact O-N 2.88Å; F10-T13 WeakPolarHBondContact O-CA 3.47Å; F10-T13 WeakPolarHBondContact O-CB 3.39Å; F10-T13 PolarHBondContact O-N 3.29Å; F10-T13 VanDerWaalsContact O-N 3.08Å; F10-C14 PolarHBondContact O-N 3.49Å; F10-C14 PolarHBondContact O-SG 2.92Å
11I89.6Confident86.9Confident31 Ų3158.2 Ų58.216%0.15931%0.312CS..Hα-helixtrans-57.6-44.8174.8-69.8164.2000110.6C7 I8 T13 C14 T15 F102 F106 Y144C7-I11 WeakPolarHBondContact O-CB 3.31Å; C7-I11 WeakPolarHBondContact O-CG1 3.4Å; C7-I11 PolarHBondContact O-N 2.97Å; I8-I11 PolarHBondContact O-N 3.36Å; I11-T13 VanDerWaalsContact C-N 3.3Å; I11-T13 PolarHBondContact O-N 3Å; I11-C14 PolarHBondContact O-N 2.87Å; I11-T15 WeakPolarHBondContact O-CB 3.43Å; I11-T15 PolarHBondContact O-N 3.42Å; I11-T15 PolarHBondContact O-OG1 3.01Å; I11-F102 HydrophobicContact CD1-CD1 4.38Å; I11-F102 HydrophobicContact CD1-CE1 4.35Å; I11-F102 HydrophobicContact CG2-CD2 3.98Å; I11-F102 HydrophobicContact CG2-CE2 3.8Å; I11-F102 HydrophobicContact CG2-CZ 4.22Å; I11-F106 HydrophobicContact CD1-CE2 4.33Å; I11-Y144 HydrophobicContact CG2-CD2 4.5Å; I11-Y144 HydrophobicContact CG2-CE2 4.23Å
12A90.5Very high87.9Confident0 Ų055 Ų550%030%0.297CS..Hα-helixtrans-62.1-38.6176.900000111.6I8 V9 F10 A16 Y144 T148 I151I8-A12 VanDerWaalsContact O-CB 3.25Å; I8-A12 WeakPolarHBondContact O-CB 3.01Å; I8-A12 PolarHBondContact O-N 3.35Å; V9-A12 PolarHBondContact O-N 3.16Å; F10-A12 VanDerWaalsContact C-N 3.31Å; F10-A12 PolarHBondContact O-N 2.88Å; A12-A16 VanDerWaalsContact O-CB 3.24Å; A12-A16 WeakPolarHBondContact O-CB 3.38Å; A12-A16 PolarHBondContact O-N 3.13Å; A12-Y144 HydrophobicContact CB-CD2 4.08Å; A12-Y144 HydrophobicContact CB-CE2 4.49Å; A12-T148 WeakPolarHBondContact CB-OG1 3.09Å; A12-I151 HydrophobicContact CB-CD1 4.35Å
13T90Very high88.3Confident52 Ų5247.6 Ų47.632%0.31927%0.265SS..Hα-helixtrans-64.7-52.7175.6-55.60000110.9V9 F10 I11 T15 A16 V17 I151V9-T13 WeakPolarHBondContact O-CB 3.26Å; V9-T13 PolarHBondContact O-N 3.09Å; V9-T13 PolarHBondContact O-OG1 3.19Å; F10-T13 WeakPolarHBondContact O-CA 3.47Å; F10-T13 WeakPolarHBondContact O-CB 3.39Å; F10-T13 PolarHBondContact O-N 3.29Å; F10-T13 VanDerWaalsContact O-N 3.08Å; I11-T13 VanDerWaalsContact C-N 3.3Å; I11-T13 PolarHBondContact O-N 3Å; T13-T15 VanDerWaalsContact C-N 3.31Å; T13-T15 PolarHBondContact O-N 2.99Å; T13-A16 PolarHBondContact O-N 3.35Å; T13-V17 WeakPolarHBondContact O-CG2 3.47Å; T13-V17 PolarHBondContact O-N 2.85Å; T13-I151 WeakPolarHBondContact OG1-CD1 3.23Å
14C90.6Very high88.5Confident50 Ų5045.5 Ų45.534%0.33825%0.251SS..Hα-helixtrans-57.5-44.9176.7-68.20000111.6F10 I11 V17 L18F10-C14 PolarHBondContact O-N 3.49Å; F10-C14 PolarHBondContact O-SG 2.92Å; I11-C14 PolarHBondContact O-N 2.87Å; C14-V17 PolarHBondContact O-N 3.36Å; C14-L18 WeakPolarHBondContact O-CB 3.47Å; C14-L18 VanDerWaalsContact O-CG 3.26Å; C14-L18 WeakPolarHBondContact O-CG 3.41Å; C14-L18 PolarHBondContact O-N 3.45Å
15T90Very high88.7Confident8 Ų848.8 Ų48.85%0.04927%0.266CS..Hα-helixtrans-61.3-44.8176.7-61.90000111.5I11 T13 L18 G19 F95 Y144 T148I11-T15 WeakPolarHBondContact O-CB 3.43Å; I11-T15 PolarHBondContact O-N 3.42Å; I11-T15 PolarHBondContact O-OG1 3.01Å; T13-T15 VanDerWaalsContact C-N 3.31Å; T13-T15 PolarHBondContact O-N 2.99Å; T15-L18 PolarHBondContact O-N 3.12Å; T15-G19 PolarHBondContact O-N 2.64Å; T15-F95 HydrophobicContact CG2-CD1 3.34Å; T15-F95 HydrophobicContact CG2-CE1 3.18Å; T15-F95 HydrophobicContact CG2-CG 4.45Å; T15-F95 HydrophobicContact CG2-CZ 4.16Å; T15-F95 WeakPolarHBondContact O-CZ 3.43Å; T15-Y144 HydrophobicContact CG2-CE2 4.13Å; T15-Y144 WeakPolarHBondContact CG2-OH 3.4Å; T15-T148 HydrophobicContact CG2-CG2 4.39Å
16A89.5Confident88.8Confident0 Ų051.7 Ų51.70%028%0.279CS..Hα-helixtrans-62.5-45.3177.900000111A12 T13 G19 E20 T148 I151 R152A12-A16 VanDerWaalsContact O-CB 3.24Å; A12-A16 WeakPolarHBondContact O-CB 3.38Å; A12-A16 PolarHBondContact O-N 3.13Å; T13-A16 PolarHBondContact O-N 3.35Å; A16-G19 PolarHBondContact O-N 2.89Å; A16-E20 WeakPolarHBondContact O-CG 3.26Å; A16-E20 PolarHBondContact O-N 2.82Å; A16-T148 HydrophobicContact CB-CG2 4.37Å; A16-I151 HydrophobicContact CB-CB 4.14Å; A16-I151 HydrophobicContact CB-CG2 3.66Å; A16-R152 HydrophobicContact CB-CB 4.43Å
17V89.4Confident88.7Confident75 Ų7547.5 Ų47.546%0.45526%0.258SS..Hα-helixtrans-63.4-48.3177173.10000111.3T13 C14 G19 E20 A21 L155T13-V17 WeakPolarHBondContact O-CG2 3.47Å; T13-V17 PolarHBondContact O-N 2.85Å; C14-V17 PolarHBondContact O-N 3.36Å; V17-G19 VanDerWaalsContact C-N 3.25Å; V17-G19 PolarHBondContact O-N 3.08Å; V17-E20 PolarHBondContact O-N 3.45Å; V17-A21 WeakPolarHBondContact O-CB 3.29Å; V17-A21 PolarHBondContact O-N 3.27Å; V17-L155 HydrophobicContact CG2-CD2 4.03Å
18L89.9Confident88.5Confident102 Ų10245.1 Ų45.153%0.53424%0.24SC..Hα-helixtrans-60.1-38.2175.9-73172.2000111.4C14 T15 A21 L22C14-L18 WeakPolarHBondContact O-CB 3.47Å; C14-L18 VanDerWaalsContact O-CG 3.26Å; C14-L18 WeakPolarHBondContact O-CG 3.41Å; C14-L18 PolarHBondContact O-N 3.45Å; T15-L18 PolarHBondContact O-N 3.12Å; L18-A21 PolarHBondContact O-N 3.35Å; L18-L22 WeakPolarHBondContact O-CB 3.16Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.47Å
19G88.6Confident88.4Confident0 Ų053.2 Ų53.20%027%0.27CS..Hα-helixtrans-68.4-40.8179.600000112.8T15 A16 V17 T23 F95T15-G19 PolarHBondContact O-N 2.64Å; A16-G19 PolarHBondContact O-N 2.89Å; V17-G19 VanDerWaalsContact C-N 3.25Å; V17-G19 PolarHBondContact O-N 3.08Å; G19-T23 VanDerWaalsContact O-CB 3.29Å; G19-T23 WeakPolarHBondContact O-CB 3.49Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.01Å; G19-F95 VanDerWaalsContact CA-CE2 3.41Å
20E86Confident88.3Confident5 Ų553.4 Ų53.42%0.02327%0.269CS..Hα-helixtrans-68.9-37.6171.9-71.1-54137.100111.7A16 V17 T23 Y24 R152 L155 Q156A16-E20 WeakPolarHBondContact O-CG 3.26Å; A16-E20 PolarHBondContact O-N 2.82Å; V17-E20 PolarHBondContact O-N 3.45Å; E20-T23 PolarHBondContact O-N 2.75Å; E20-Y24 VanDerWaalsContact O-CB 3.24Å; E20-Y24 WeakPolarHBondContact O-CB 3.44Å; E20-Y24 PolarHBondContact O-N 2.93Å; E20-R152 HydrophobicContact CG-CG 4.47Å; E20-R152 WeakPolarHBondContact OE1-CG 3.43Å; E20-R152 IonicContact OE1-NE 3.86Å; E20-L155 HydrophobicContact CB-CD2 4.04Å; E20-L155 HydrophobicContact CG-CD2 3.74Å; E20-L155 HydrophobicContact CG-CG 4.24Å; E20-Q156 VanDerWaalsContact CD-CG 3.5Å; E20-Q156 HydrophobicContact CG-CG 4.45Å; E20-Q156 WeakPolarHBondContact OE1-CG 3.45Å; E20-Q156 PolarHBondContact OE1-NE2 3.05Å; E20-Q156 WeakPolarHBondContact OE2-CG 3.42Å
21A89.2Confident88.2Confident44 Ų4451.3 Ų51.336%0.36426%0.264SS..Hα-helixtrans-62.8-46.4175.200000111.8V17 L18 Y24 L25V17-A21 WeakPolarHBondContact O-CB 3.29Å; V17-A21 PolarHBondContact O-N 3.27Å; L18-A21 PolarHBondContact O-N 3.35Å; A21-Y24 WeakPolarHBondContact O-CB 3.34Å; A21-Y24 PolarHBondContact O-N 2.87Å; A21-L25 WeakPolarHBondContact O-CB 3.45Å; A21-L25 VanDerWaalsContact O-CG 3.31Å; A21-L25 WeakPolarHBondContact O-CG 3.29Å; A21-L25 PolarHBondContact O-N 3.33Å
22L89.4Confident88.1Confident70 Ų7056.7 Ų56.737%0.36628%0.283SS..Hα-helixtrans-63.6-43.4174.5-72.1173.9000111.7L18 Y24 L25 I26 I91L18-L22 WeakPolarHBondContact O-CB 3.16Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.47Å; L22-Y24 VanDerWaalsContact C-N 3.26Å; L22-Y24 PolarHBondContact O-N 2.83Å; L22-L25 PolarHBondContact O-N 3Å; L22-I26 WeakPolarHBondContact O-CB 3.37Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.43Å; L22-I91 HydrophobicContact CB-CD1 4.27Å; L22-I91 HydrophobicContact CB-CG1 4.4Å
23T87.3Confident88Confident2 Ų257.4 Ų57.41%0.01229%0.286CS..Hα-helixtrans-60.6-40.5175.1-58.70000110.5G19 E20 V27 Y28G19-T23 VanDerWaalsContact O-CB 3.29Å; G19-T23 WeakPolarHBondContact O-CB 3.49Å; G19-T23 PolarHBondContact O-N 3.45Å; G19-T23 PolarHBondContact O-OG1 3.01Å; E20-T23 PolarHBondContact O-N 2.75Å; T23-V27 HydrophobicContact CG2-CB 4.23Å; T23-V27 HydrophobicContact CG2-CG2 4.08Å; T23-V27 WeakPolarHBondContact O-CA 3.21Å; T23-V27 WeakPolarHBondContact O-CB 3.47Å; T23-V27 PolarHBondContact O-N 3.35Å; T23-Y28 HydrophobicContact CG2-CD2 4.44Å; T23-Y28 HydrophobicContact CG2-CE2 3.85Å; T23-Y28 PolarHBondContact O-N 2.91Å
24Y86.5Confident87.9Confident117 Ų11759.8 Ų59.846%0.45929%0.291SS..Iπ-helixtrans-64-47.6176.7179.9-94.4000112.4E20 A21 L22 Y28 R29 F161E20-Y24 VanDerWaalsContact O-CB 3.24Å; E20-Y24 WeakPolarHBondContact O-CB 3.44Å; E20-Y24 PolarHBondContact O-N 2.93Å; A21-Y24 WeakPolarHBondContact O-CB 3.34Å; A21-Y24 PolarHBondContact O-N 2.87Å; L22-Y24 VanDerWaalsContact C-N 3.26Å; L22-Y24 PolarHBondContact O-N 2.83Å; Y24-Y28 VanDerWaalsContact CA-CD2 3.47Å; Y24-Y28 AromaticContact CD2-CD2 3.83Å; Y24-Y28 HydrophobicContact CD2-CD2 3.83Å; Y24-Y28 HydrophobicContact CD2-CG 4.26Å; Y24-Y28 HydrophobicContact CG-CD2 4.34Å; Y24-Y28 CarbonylContact O-C 3.59Å; Y24-Y28 PolarHBondContact O-N 3.44Å; Y24-R29 PolarHBondContact O-N 3.26Å; Y24-F161 HydrophobicContact CD2-CE1 4.14Å; Y24-F161 AromaticContact CD2-CE2 3.82Å; Y24-F161 HydrophobicContact CD2-CE2 3.82Å; Y24-F161 AromaticContact CD2-CZ 3.39Å; Y24-F161 HydrophobicContact CD2-CZ 3.39Å; Y24-F161 HydrophobicContact CE2-CE1 4.22Å; Y24-F161 HydrophobicContact CE2-CE2 4.46Å; Y24-F161 AromaticContact CE2-CZ 3.63Å; Y24-F161 HydrophobicContact CE2-CZ 3.63Å
25L87.6Confident87.9Confident97 Ų9765.9 Ų65.951%0.50831%0.307SS..Iπ-helixtrans-66.8-39.2-179.7-70.4174.8000113A21 L22 R29A21-L25 WeakPolarHBondContact O-CB 3.45Å; A21-L25 VanDerWaalsContact O-CG 3.31Å; A21-L25 WeakPolarHBondContact O-CG 3.29Å; A21-L25 PolarHBondContact O-N 3.33Å; L22-L25 PolarHBondContact O-N 3Å; L25-R29 VanDerWaalsContact O-CB 3.27Å; L25-R29 WeakPolarHBondContact O-CB 3.47Å
26I86.5Confident87.7Confident83 Ų8366.7 Ų66.743%0.42631%0.311SS..Iπ-helixtrans-88-45.3-175.2-63170.5000111.5L22 I91L22-I26 WeakPolarHBondContact O-CB 3.37Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.43Å; I26-I91 HydrophobicContact CD1-CD1 4.32Å; I26-I91 HydrophobicContact CD1-CG1 4.24Å
27V86.4Confident87.6Confident0 Ų069 Ų690%032%0.321CS..Iπ-helixtrans-94.5-60.7-172.9-173.40000110.6T23 R29 N30 Y33 F83T23-V27 HydrophobicContact CG2-CB 4.23Å; T23-V27 HydrophobicContact CG2-CG2 4.08Å; T23-V27 WeakPolarHBondContact O-CA 3.21Å; T23-V27 WeakPolarHBondContact O-CB 3.47Å; T23-V27 PolarHBondContact O-N 3.35Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 2.98Å; V27-N30 VanDerWaalsContact O-CB 3.31Å; V27-N30 WeakPolarHBondContact O-CB 3.46Å; V27-N30 PolarHBondContact O-N 2.95Å; V27-Y33 HydrophobicContact CG1-CD1 4.33Å; V27-Y33 HydrophobicContact CG1-CD2 3.51Å; V27-Y33 HydrophobicContact CG1-CE2 3.68Å; V27-Y33 HydrophobicContact CG1-CG 3.85Å; V27-Y33 VanDerWaalsContact O-CB 3.31Å; V27-Y33 WeakPolarHBondContact O-CB 3.33Å; V27-F83 HydrophobicContact CG1-CD1 4.31Å
28Y83.7Confident87.6Confident13 Ų1367.9 Ų67.95%0.05132%0.317CS..Iπ-helixtrans-70.7-28.9-169-58.6-42.2000113.1T23 Y24 N30 Y33 K34 F161T23-Y28 HydrophobicContact CG2-CD2 4.44Å; T23-Y28 HydrophobicContact CG2-CE2 3.85Å; T23-Y28 PolarHBondContact O-N 2.91Å; Y24-Y28 VanDerWaalsContact CA-CD2 3.47Å; Y24-Y28 AromaticContact CD2-CD2 3.83Å; Y24-Y28 HydrophobicContact CD2-CD2 3.83Å; Y24-Y28 HydrophobicContact CD2-CG 4.26Å; Y24-Y28 HydrophobicContact CG-CD2 4.34Å; Y24-Y28 CarbonylContact O-C 3.59Å; Y24-Y28 PolarHBondContact O-N 3.44Å; Y28-N30 VanDerWaalsContact C-N 3.28Å; Y28-N30 PolarHBondContact O-N 2.79Å; Y28-Y33 AromaticContact CD1-CD1 4Å; Y28-Y33 HydrophobicContact CD1-CD1 4Å; Y28-Y33 AromaticContact CD1-CE1 3.41Å; Y28-Y33 HydrophobicContact CD1-CE1 3.41Å; Y28-Y33 VanDerWaalsContact CD1-CE1 3.41Å; Y28-Y33 AromaticContact CD1-CZ 3.87Å; Y28-Y33 AromaticContact CE1-CE1 3.78Å; Y28-Y33 HydrophobicContact CE1-CE1 3.78Å; Y28-Y33 AromaticContact CE1-CZ 3.77Å; Y28-K34 WeakPolarHBondContact O-CE 3.42Å; Y28-F161 HydrophobicContact CD2-CD1 4.14Å; Y28-F161 HydrophobicContact CD2-CD2 4.03Å; Y28-F161 HydrophobicContact CD2-CE1 4.29Å; Y28-F161 HydrophobicContact CD2-CE2 4.17Å; Y28-F161 HydrophobicContact CD2-CG 4.03Å; Y28-F161 HydrophobicContact CD2-CZ 4.32Å; Y28-F161 HydrophobicContact CE2-CB 3.84Å; Y28-F161 HydrophobicContact CE2-CD1 4.12Å; Y28-F161 AromaticContact CE2-CD2 3.69Å; Y28-F161 HydrophobicContact CE2-CD2 3.69Å; Y28-F161 HydrophobicContact CE2-CE2 4.28Å; Y28-F161 AromaticContact CE2-CG 3.62Å; Y28-F161 HydrophobicContact CE2-CG 3.62Å
29R86.5Confident87.5Confident170 Ų17067.5 Ų67.564%0.64231%0.312SS*.THydrogen-bonded Turntrans-69.2-26.2172.7-171.8175.7154.7152.5-5.4112.7Y24 L25 V27 D31 K34Y24-R29 PolarHBondContact O-N 3.26Å; L25-R29 VanDerWaalsContact O-CB 3.27Å; L25-R29 WeakPolarHBondContact O-CB 3.47Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 2.98Å; R29-D31 PolarHBondContact O-N 3.28Å; R29-K34 WeakPolarHBondContact O-CE 3.42Å; R29-K34 PolarHBondContact O-NZ 2.88Å
30N87.1Confident87.4Confident63 Ų6367.6 Ų67.634%0.33731%0.313SS..  trans-67.5124.6-174.4-161.6-50.7000111.6V27 Y28 R32 Y33 K34 F83V27-N30 VanDerWaalsContact O-CB 3.31Å; V27-N30 WeakPolarHBondContact O-CB 3.46Å; V27-N30 PolarHBondContact O-N 2.95Å; Y28-N30 VanDerWaalsContact C-N 3.28Å; Y28-N30 PolarHBondContact O-N 2.79Å; N30-R32 VanDerWaalsContact C-N 3.25Å; N30-R32 PolarHBondContact O-N 3.31Å; N30-R32 WeakPolarHBondContact OD1-CB 3.24Å; N30-R32 PolarHBondContact OD1-N 3.27Å; N30-Y33 WeakPolarHBondContact O-CB 3.37Å; N30-Y33 PolarHBondContact O-N 3.31Å; N30-K34 PolarHBondContact O-N 2.82Å; N30-F83 HydrophobicContact CB-CE1 3.92Å; N30-F83 HydrophobicContact CB-CZ 3.99Å; N30-F83 WeakPolarHBondContact ND2-CZ 3.48Å
31D88.9Confident87.4Confident96 Ų9671.3 Ų71.351%0.51333%0.33SS..Hα-helixtrans-65.7-30.5-177.1-60-46.1000112.5R29 Y33 K34 R35R29-D31 PolarHBondContact O-N 3.28Å; D31-Y33 VanDerWaalsContact C-N 3.32Å; D31-Y33 PolarHBondContact O-N 2.98Å; D31-K34 PolarHBondContact O-N 3.21Å; D31-K34 IonicContact OD1-NZ 3.78Å; D31-K34 PolarHBondContact OD1-NZ 3.39Å; D31-R35 WeakPolarHBondContact O-CB 3.3Å; D31-R35 VanDerWaalsContact O-CG 3.24Å; D31-R35 WeakPolarHBondContact O-CG 3.26Å; D31-R35 PolarHBondContact O-N 3.33Å
32R87Confident87.3Confident144 Ų14477.5 Ų77.554%0.54334%0.344SS..Hα-helixtrans-60.5-45171.9-174.9174179.4178.4-0.2110.4N30 R35 L36N30-R32 VanDerWaalsContact C-N 3.25Å; N30-R32 PolarHBondContact O-N 3.31Å; N30-R32 WeakPolarHBondContact OD1-CB 3.24Å; N30-R32 PolarHBondContact OD1-N 3.27Å; R32-R35 PolarHBondContact O-N 2.91Å; R32-L36 HydrophobicContact CG-CD1 3.84Å; R32-L36 WeakPolarHBondContact O-CD1 3.4Å; R32-L36 PolarHBondContact O-N 3.49Å
33Y87.4Confident87.1Confident15 Ų1576 Ų766%0.05934%0.335CS..Hα-helixtrans-62.3-47.1177.5-178.7-91.4000111.7V27 Y28 N30 D31 R35 L36 K37 L80 F83V27-Y33 HydrophobicContact CG1-CD1 4.33Å; V27-Y33 HydrophobicContact CG1-CD2 3.51Å; V27-Y33 HydrophobicContact CG1-CE2 3.68Å; V27-Y33 HydrophobicContact CG1-CG 3.85Å; V27-Y33 VanDerWaalsContact O-CB 3.31Å; V27-Y33 WeakPolarHBondContact O-CB 3.33Å; Y28-Y33 AromaticContact CD1-CD1 4Å; Y28-Y33 HydrophobicContact CD1-CD1 4Å; Y28-Y33 AromaticContact CD1-CE1 3.41Å; Y28-Y33 HydrophobicContact CD1-CE1 3.41Å; Y28-Y33 VanDerWaalsContact CD1-CE1 3.41Å; Y28-Y33 AromaticContact CD1-CZ 3.87Å; Y28-Y33 AromaticContact CE1-CE1 3.78Å; Y28-Y33 HydrophobicContact CE1-CE1 3.78Å; Y28-Y33 AromaticContact CE1-CZ 3.77Å; N30-Y33 WeakPolarHBondContact O-CB 3.37Å; N30-Y33 PolarHBondContact O-N 3.31Å; D31-Y33 VanDerWaalsContact C-N 3.32Å; D31-Y33 PolarHBondContact O-N 2.98Å; Y33-R35 VanDerWaalsContact C-N 3.34Å; Y33-R35 PolarHBondContact O-N 3.42Å; Y33-L36 PolarHBondContact O-N 3.41Å; Y33-K37 HydrophobicContact CE1-CB 4.37Å; Y33-K37 HydrophobicContact CE1-CD 4Å; Y33-K37 VanDerWaalsContact O-CB 3.3Å; Y33-K37 WeakPolarHBondContact O-CB 3.36Å; Y33-K37 PolarHBondContact O-N 3.05Å; Y33-L80 HydrophobicContact CD2-CG 4.22Å; Y33-L80 HydrophobicContact CE2-CD1 4.08Å; Y33-L80 HydrophobicContact CE2-CD2 3.95Å; Y33-L80 HydrophobicContact CE2-CG 3.75Å; Y33-F83 HydrophobicContact CD2-CD1 4.07Å
34K88.5Confident86.9Confident101 Ų10176.6 Ų76.644%0.43934%0.339SS..Hα-helixtrans-58.9-44.5177.6-65.2174.6-169.2158.20111.9Y28 R29 N30 D31 K37 S38Y28-K34 WeakPolarHBondContact O-CE 3.42Å; R29-K34 WeakPolarHBondContact O-CE 3.42Å; R29-K34 PolarHBondContact O-NZ 2.88Å; N30-K34 PolarHBondContact O-N 2.82Å; D31-K34 PolarHBondContact O-N 3.21Å; D31-K34 IonicContact OD1-NZ 3.78Å; D31-K34 PolarHBondContact OD1-NZ 3.39Å; K34-K37 PolarHBondContact O-N 3.25Å; K34-S38 WeakPolarHBondContact O-CB 3.49Å; K34-S38 PolarHBondContact O-N 3.09Å; K34-S38 PolarHBondContact O-OG 3.42Å
35R89.8Confident86.9Confident179 Ų17977.4 Ų77.468%0.67535%0.345SS*.Hα-helixtrans-61-53.4177.5-73.4174.6-172.6-172.93.5111D31 R32 Y33 K37 S38 E39D31-R35 WeakPolarHBondContact O-CB 3.3Å; D31-R35 VanDerWaalsContact O-CG 3.24Å; D31-R35 WeakPolarHBondContact O-CG 3.26Å; D31-R35 PolarHBondContact O-N 3.33Å; R32-R35 PolarHBondContact O-N 2.91Å; Y33-R35 VanDerWaalsContact C-N 3.34Å; Y33-R35 PolarHBondContact O-N 3.42Å; R35-K37 VanDerWaalsContact C-N 3.31Å; R35-K37 PolarHBondContact O-N 2.9Å; R35-S38 PolarHBondContact O-N 3.06Å; R35-S38 PolarHBondContact O-OG 3.47Å; R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 2.75Å
36L87.1Confident86.7Confident24 Ų2480.8 Ų80.813%0.12635%0.351CS..Hα-helixtrans-58.9-42.5178.3-91.770.5000111.6R32 Y33 E39 L40 D79 L80R32-L36 HydrophobicContact CG-CD1 3.84Å; R32-L36 WeakPolarHBondContact O-CD1 3.4Å; R32-L36 PolarHBondContact O-N 3.49Å; Y33-L36 PolarHBondContact O-N 3.41Å; L36-E39 PolarHBondContact O-N 2.97Å; L36-L40 VanDerWaalsContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CB 3.32Å; L36-L40 PolarHBondContact O-N 2.72Å; L36-D79 HydrophobicContact CD2-CB 3.57Å; L36-L80 HydrophobicContact CB-CB 4.41Å; L36-L80 HydrophobicContact CB-CD1 4.17Å; L36-L80 HydrophobicContact CD2-CB 4.3Å
37K87.4Confident86.4Confident50 Ų5077.4 Ų77.422%0.21733%0.334CS..Hα-helixtrans-61.1-46.8176.9-174.1179.5176.4-176.70111.3Y33 K34 R35 E39 L40 E41 L80Y33-K37 HydrophobicContact CE1-CB 4.37Å; Y33-K37 HydrophobicContact CE1-CD 4Å; Y33-K37 VanDerWaalsContact O-CB 3.3Å; Y33-K37 WeakPolarHBondContact O-CB 3.36Å; Y33-K37 PolarHBondContact O-N 3.05Å; K34-K37 PolarHBondContact O-N 3.25Å; R35-K37 VanDerWaalsContact C-N 3.31Å; R35-K37 PolarHBondContact O-N 2.9Å; K37-E39 VanDerWaalsContact C-N 3.33Å; K37-E39 PolarHBondContact O-N 3.39Å; K37-L40 WeakPolarHBondContact O-CB 3.3Å; K37-L40 PolarHBondContact O-N 2.98Å; K37-E41 VanDerWaalsContact CE-OE1 3.26Å; K37-E41 WeakPolarHBondContact CE-OE1 3.14Å; K37-E41 WeakPolarHBondContact O-CG 3.42Å; K37-E41 PolarHBondContact O-N 3.26Å; K37-L80 HydrophobicContact CB-CD1 3.83Å; K37-L80 HydrophobicContact CG-CD1 4.48Å
38S88.3Confident86Confident51 Ų5181.3 Ų81.336%0.35735%0.352SS..Hα-helixtrans-64.7-37.117976.10000112.7K34 R35 R42K34-S38 WeakPolarHBondContact O-CB 3.49Å; K34-S38 PolarHBondContact O-N 3.09Å; K34-S38 PolarHBondContact O-OG 3.42Å; R35-S38 PolarHBondContact O-N 3.06Å; R35-S38 PolarHBondContact O-OG 3.47Å; S38-R42 WeakPolarHBondContact O-CB 3.19Å; S38-R42 VanDerWaalsContact O-CG 3.26Å; S38-R42 WeakPolarHBondContact O-CG 3.39Å; S38-R42 PolarHBondContact O-N 3.4Å
39E88.6Confident85.9Confident94 Ų9486.5 Ų86.544%0.43938%0.375SS..Hα-helixtrans-67.4-45.9176.4179.8166.1-167.300110.7R35 L36 K37 E41 R42 Q43 T76R35-E39 WeakPolarHBondContact O-CB 3.44Å; R35-E39 PolarHBondContact O-N 2.75Å; L36-E39 PolarHBondContact O-N 2.97Å; K37-E39 VanDerWaalsContact C-N 3.33Å; K37-E39 PolarHBondContact O-N 3.39Å; E39-E41 PolarHBondContact O-N 3.35Å; E39-R42 PolarHBondContact O-N 3.09Å; E39-Q43 HydrophobicContact CG-CG 4.19Å; E39-Q43 WeakPolarHBondContact O-CB 3.4Å; E39-Q43 VanDerWaalsContact O-CG 3.29Å; E39-Q43 WeakPolarHBondContact O-CG 3.45Å; E39-Q43 PolarHBondContact O-N 3.45Å; E39-Q43 PolarHBondContact OE1-NE2 2.92Å; E39-T76 HydrophobicContact CB-CG2 4.42Å; E39-T76 HydrophobicContact CG-CG2 4.28Å
40L85.8Confident85.5Confident2 Ų282.2 Ų82.21%0.0136%0.361CS..Hα-helixtrans-55.5-49.6175.8-164.186.8000111.7L36 K37 Q43 S44 L73 T76 N77 M167L36-L40 VanDerWaalsContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CB 3.32Å; L36-L40 PolarHBondContact O-N 2.72Å; K37-L40 WeakPolarHBondContact O-CB 3.3Å; K37-L40 PolarHBondContact O-N 2.98Å; L40-Q43 PolarHBondContact O-N 3.4Å; L40-S44 WeakPolarHBondContact O-CB 3.41Å; L40-S44 PolarHBondContact O-N 3.42Å; L40-L73 HydrophobicContact CD1-CD2 3.51Å; L40-L73 HydrophobicContact CG-CD2 4.03Å; L40-T76 HydrophobicContact CB-CG2 4.17Å; L40-T76 HydrophobicContact CD1-CG2 3.84Å; L40-N77 VanDerWaalsContact CD1-CA 3.48Å; L40-N77 HydrophobicContact CD1-CB 3.68Å; L40-N77 VanDerWaalsContact CD1-N 3.32Å; L40-M167 HydrophobicContact CD2-CE 3.67Å; L40-M167 HydrophobicContact CD2-CG 3.53Å; L40-M167 HydrophobicContact CD2-SD 3.53Å; L40-M167 VanDerWaalsContact CD2-SD 3.53Å
41E86.7Confident84.9Confident82 Ų8282.5 Ų82.538%0.38336%0.359SS..Hα-helixtrans-63.6-42.6179.2-73.9177.6-179.100112K37 E39 S44 K45K37-E41 VanDerWaalsContact CE-OE1 3.26Å; K37-E41 WeakPolarHBondContact CE-OE1 3.14Å; K37-E41 WeakPolarHBondContact O-CG 3.42Å; K37-E41 PolarHBondContact O-N 3.26Å; E39-E41 PolarHBondContact O-N 3.35Å; E41-S44 PolarHBondContact O-N 2.92Å; E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 3.31Å
42R87.6Confident84.2Confident175 Ų17584 Ų8466%0.6637%0.367SS*.Hα-helixtrans-64.3-45.4176.7-77175174-171.6-0.6111.9S38 E39 R46S38-R42 WeakPolarHBondContact O-CB 3.19Å; S38-R42 VanDerWaalsContact O-CG 3.26Å; S38-R42 WeakPolarHBondContact O-CG 3.39Å; S38-R42 PolarHBondContact O-N 3.4Å; E39-R42 PolarHBondContact O-N 3.09Å; R42-R46 WeakPolarHBondContact O-CB 3.36Å; R42-R46 VanDerWaalsContact O-CG 3.23Å; R42-R46 WeakPolarHBondContact O-CG 3.36Å; R42-R46 PolarHBondContact O-N 2.99Å; R42-R46 VanDerWaalsContact O-N 3.09Å
43Q85.4Confident83.3Confident39 Ų3984 Ų8418%0.18237%0.374CS..Hα-helixtrans-65-43.3178.6-72-175.111.400110.8E39 L40 R46 L47 L73E39-Q43 HydrophobicContact CG-CG 4.19Å; E39-Q43 WeakPolarHBondContact O-CB 3.4Å; E39-Q43 VanDerWaalsContact O-CG 3.29Å; E39-Q43 WeakPolarHBondContact O-CG 3.45Å; E39-Q43 PolarHBondContact O-N 3.45Å; E39-Q43 PolarHBondContact OE1-NE2 2.92Å; L40-Q43 PolarHBondContact O-N 3.4Å; Q43-R46 PolarHBondContact O-N 3.37Å; Q43-L47 WeakPolarHBondContact O-CB 3.31Å; Q43-L47 PolarHBondContact O-N 2.91Å; Q43-L73 HydrophobicContact CB-CD1 4.24Å; Q43-L73 HydrophobicContact CB-CG 3.97Å; Q43-L73 VanDerWaalsContact OE1-CA 3.3Å
44S83.2Confident82.2Confident13 Ų1385.5 Ų85.59%0.09138%0.384CS..Hα-helixtrans-60.9-48.5178-169.90000112.3L40 E41 R46 L47 E48 A166L40-S44 WeakPolarHBondContact O-CB 3.41Å; L40-S44 PolarHBondContact O-N 3.42Å; E41-S44 PolarHBondContact O-N 2.92Å; S44-R46 VanDerWaalsContact C-N 3.32Å; S44-R46 PolarHBondContact O-N 2.85Å; S44-L47 PolarHBondContact O-N 3.43Å; S44-E48 PolarHBondContact O-N 3.36Å; S44-A166 WeakPolarHBondContact OG-CB 3.3Å
45K84.9Confident80.7Confident135 Ų13585.7 Ų85.759%0.58739%0.394SS*.Hα-helixtrans-64.1-35177.1-168.6173.5-174.4174.40113E41 K49E41-K45 WeakPolarHBondContact O-CB 3.44Å; E41-K45 PolarHBondContact O-N 3.31Å; K45-K49 WeakPolarHBondContact O-CG 3.32Å; K45-K49 PolarHBondContact O-N 3.18Å
46R83.3Confident79.2Confident167 Ų16783 Ų8363%0.6339%0.393SS*.Hα-helixtrans-69.4-37.3175.7-76.3173.7178.9-171.3-0.6112R42 Q43 S44 K50R42-R46 WeakPolarHBondContact O-CB 3.36Å; R42-R46 VanDerWaalsContact O-CG 3.23Å; R42-R46 WeakPolarHBondContact O-CG 3.36Å; R42-R46 PolarHBondContact O-N 2.99Å; R42-R46 VanDerWaalsContact O-N 3.09Å; Q43-R46 PolarHBondContact O-N 3.37Å; S44-R46 VanDerWaalsContact C-N 3.32Å; S44-R46 PolarHBondContact O-N 2.85Å; R46-K50 WeakPolarHBondContact O-CG 3.48Å; R46-K50 PolarHBondContact O-N 3.38Å
47L80.7Confident77.8Confident13 Ų1389 Ų897%0.06843%0.43CS..Hα-helixtrans-68.6-44.5178.7-172.672000111Q43 S44 K50 K51 I66 Q69 E70 L73Q43-L47 WeakPolarHBondContact O-CB 3.31Å; Q43-L47 PolarHBondContact O-N 2.91Å; S44-L47 PolarHBondContact O-N 3.43Å; L47-K50 PolarHBondContact O-N 3.27Å; L47-K51 PolarHBondContact O-N 3.36Å; L47-I66 HydrophobicContact CD1-CG2 3.99Å; L47-Q69 HydrophobicContact CD1-CB 3.84Å; L47-E70 HydrophobicContact CD1-CG 4.08Å; L47-E70 HydrophobicContact CD2-CG 3.57Å; L47-E70 HydrophobicContact CG-CG 4.43Å; L47-L73 HydrophobicContact CD2-CD1 4.05Å
48E78.8Confident76.5Confident82 Ų8288.8 Ų88.838%0.38344%0.438SS..Hα-helixtrans-58.9-50.5178.5-168.7168.6-14700111.3S44 K50 K51 D52 K169S44-E48 PolarHBondContact O-N 3.36Å; E48-K50 PolarHBondContact O-N 3.26Å; E48-K51 PolarHBondContact O-N 3.23Å; E48-D52 PolarHBondContact O-N 3.23Å; E48-K169 IonicContact OE1-NZ 2.64Å
49K81.6Confident75.3Confident121 Ų12191.9 Ų91.953%0.52645%0.446SS..Hα-helixtrans-55.9-37.2175.8-72.5-176.9175.7-162.50113.7K45 Q53K45-K49 WeakPolarHBondContact O-CG 3.32Å; K45-K49 PolarHBondContact O-N 3.18Å; K49-Q53 WeakPolarHBondContact O-CB 3.47Å; K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 3.39Å
50K76.7Confident74.3Confident81 Ų8196.3 Ų96.335%0.35246%0.459SS..Hα-helixtrans-73.7-35.2178.1-78-176.9178.3-172.50112.3R46 L47 E48 Q53 T54 Q69R46-K50 WeakPolarHBondContact O-CG 3.48Å; R46-K50 PolarHBondContact O-N 3.38Å; L47-K50 PolarHBondContact O-N 3.27Å; E48-K50 PolarHBondContact O-N 3.26Å; K50-Q53 PolarHBondContact O-N 2.85Å; K50-T54 PolarHBondContact O-N 3.11Å; K50-T54 VanDerWaalsContact O-N 3.1Å; K50-T54 PolarHBondContact O-OG1 2.97Å; K50-Q69 VanDerWaalsContact CD-OE1 3.24Å
51K75.4Confident73.7Confident68 Ų6899.2 Ų99.230%0.29648%0.484SS..Hα-helixtrans-64.7-43.4174.3-73.9-168.9175.9-164.50111L47 E48 Q53 T54 I66 E70L47-K51 PolarHBondContact O-N 3.36Å; E48-K51 PolarHBondContact O-N 3.23Å; K51-Q53 VanDerWaalsContact C-N 3.28Å; K51-Q53 PolarHBondContact O-N 2.83Å; K51-T54 PolarHBondContact O-N 2.96Å; K51-I66 HydrophobicContact CG-CG2 4.5Å; K51-E70 WeakPolarHBondContact CE-OE1 3.35Å; K51-E70 IonicContact NZ-OE1 3.27Å; K51-E70 PolarHBondContact NZ-OE1 2.8Å
52D73.5Confident73Confident128 Ų12898 Ų9868%0.68448%0.479SS*.Hα-helixtrans-65.6-31.2177.9-61.2-19.4000112.6E48E48-D52 PolarHBondContact O-N 3.23Å
53Q69.3Low72.5Confident145 Ų14595.2 Ų95.268%0.67847%0.472SS*.Hα-helixtrans-85.6-11.9178.9-73.2175.7-5.300114.3K49 K50 K51 T55K49-Q53 WeakPolarHBondContact O-CB 3.47Å; K49-Q53 WeakPolarHBondContact O-CG 3.37Å; K49-Q53 PolarHBondContact O-N 3.39Å; K50-Q53 PolarHBondContact O-N 2.85Å; K51-Q53 VanDerWaalsContact C-N 3.28Å; K51-Q53 PolarHBondContact O-N 2.83Å; Q53-T55 VanDerWaalsContact C-N 3.32Å; Q53-T55 PolarHBondContact O-N 3.33Å
54T62.7Low72Confident45 Ų45102 Ų10228%0.27650%0.496SS..  trans-81.984.2-178.6-57.70000109K50 K51 N62K50-T54 PolarHBondContact O-N 3.11Å; K50-T54 VanDerWaalsContact O-N 3.1Å; K50-T54 PolarHBondContact O-OG1 2.97Å; K51-T54 PolarHBondContact O-N 2.96Å; T54-N62 HydrophobicContact CG2-CB 4.12Å
55T58.1Low71.9Confident106 Ų106107.8 Ų107.865%0.6552%0.52SS*.  trans-78.5154.2162.1-29.20000109.4Q53 V57Q53-T55 VanDerWaalsContact C-N 3.32Å; Q53-T55 PolarHBondContact O-N 3.33Å; T55-V57 PolarHBondContact O-N 3.48Å
56D58.9Low71.6Confident123 Ų123102.3 Ų102.366%0.65850%0.497SS*.G310 helixtrans-45.6-23.7-165-68.1-47.5000117.4A58 E59D56-A58 VanDerWaalsContact C-N 3.33Å; D56-A58 PolarHBondContact O-N 3.21Å; D56-E59 WeakPolarHBondContact O-CG 3.28Å
57V56.7Low71.4Confident149 Ų14995.8 Ų95.890%0.90348%0.481SS*.G310 helixtrans-74.2-18.2-166.5-170.60000114.1T55T55-V57 PolarHBondContact O-N 3.48Å
58A59.7Low71.6Confident46 Ų46101.1 Ų101.138%0.3850%0.504SS..G310 helixtrans-119.422.8-177.600000114.3D56 R60 N62D56-A58 VanDerWaalsContact C-N 3.33Å; D56-A58 PolarHBondContact O-N 3.21Å; A58-R60 PolarHBondContact O-N 3.48Å; A58-N62 WeakPolarHBondContact CB-ND2 3.41Å; A58-N62 WeakPolarHBondContact O-CB 3.45Å; A58-N62 PolarHBondContact O-N 3.14Å
59E63.9Low71.7Confident115 Ų11599.8 Ų99.854%0.53750%0.498SS..Hα-helixtrans-48.1-54.4-167.5-94.3-169.1122.700114.5D56 K63D56-E59 WeakPolarHBondContact O-CG 3.28Å; E59-K63 WeakPolarHBondContact O-CA 3.47Å; E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 PolarHBondContact O-N 2.87Å
60R68.1Low71.8Confident188 Ų18895.8 Ų95.871%0.70948%0.481SS*.Hα-helixtrans-72.4-43.3-165.4-157.2172.5-171.5-179.12.9113.8A58 R64A58-R60 PolarHBondContact O-N 3.48Å; R60-R64 PolarHBondContact O-N 3.48Å
61A71.7Confident72.2Confident63 Ų6397.6 Ų97.652%0.52149%0.491SS..Hα-helixtrans-71.9-38.5179.100000111.4K65A61-K65 WeakPolarHBondContact O-CG 3.49Å; A61-K65 PolarHBondContact O-N 3.18Å; A61-K65 VanDerWaalsContact O-N 3.16Å
62N73.7Confident72.6Confident55 Ų55101.1 Ų101.129%0.29450%0.502SS..Hα-helixtrans-71.1-42.8176.2-74.8-14.3000111.7T54 A58 R64 K65 I66T54-N62 HydrophobicContact CG2-CB 4.12Å; A58-N62 WeakPolarHBondContact CB-ND2 3.41Å; A58-N62 WeakPolarHBondContact O-CB 3.45Å; A58-N62 PolarHBondContact O-N 3.14Å; N62-R64 VanDerWaalsContact C-N 3.33Å; N62-R64 PolarHBondContact O-N 2.85Å; N62-K65 PolarHBondContact O-N 3.07Å; N62-K65 VanDerWaalsContact O-N 3.11Å; N62-I66 HydrophobicContact CB-CD1 4.39Å; N62-I66 VanDerWaalsContact O-CB 3.31Å; N62-I66 WeakPolarHBondContact O-CB 3.27Å; N62-I66 WeakPolarHBondContact O-CG1 3.24Å; N62-I66 PolarHBondContact O-N 3.49Å
63K75.6Confident73Confident118 Ų11895 Ų9551%0.51347%0.47SS..Hα-helixtrans-56.7-43.5176.3-168.6175.1-175.2-175.20111.3E59 I66 G67 D183E59-K63 WeakPolarHBondContact O-CA 3.47Å; E59-K63 WeakPolarHBondContact O-CB 3.42Å; E59-K63 PolarHBondContact O-N 2.87Å; K63-I66 PolarHBondContact O-N 3.27Å; K63-G67 PolarHBondContact O-N 3.37Å; K63-D183 IonicContact NZ-OD2 2.88Å; K63-D183 PolarHBondContact NZ-OD2 2.68Å
64R76.3Confident73.8Confident182 Ų18292.7 Ų92.769%0.68746%0.457SS*.Hα-helixtrans-63.1-45.9173.7-75.4-176.2174.6-174.9-1.2113R60 N62 G67 K68R60-R64 PolarHBondContact O-N 3.48Å; N62-R64 VanDerWaalsContact C-N 3.33Å; N62-R64 PolarHBondContact O-N 2.85Å; R64-G67 PolarHBondContact O-N 3.4Å; R64-K68 PolarHBondContact O-N 3.06Å; R64-K68 VanDerWaalsContact O-N 3.12Å
65K80Confident75Confident133 Ų13395.7 Ų95.758%0.57847%0.468SS*.Hα-helixtrans-64.9-39.3178-73.8177.4-178.6176.30111.8A61 N62 Q69A61-K65 WeakPolarHBondContact O-CG 3.49Å; A61-K65 PolarHBondContact O-N 3.18Å; A61-K65 VanDerWaalsContact O-N 3.16Å; N62-K65 PolarHBondContact O-N 3.07Å; N62-K65 VanDerWaalsContact O-N 3.11Å; K65-Q69 WeakPolarHBondContact O-CG 3.31Å; K65-Q69 PolarHBondContact O-N 3.48Å; K65-Q69 VanDerWaalsContact O-N 3.13Å
66I79.2Confident76.3Confident21 Ų2191.4 Ų91.411%0.10844%0.442CS..Hα-helixtrans-63.9-49176.4-71.9167.1000109.8L47 K51 N62 K63 K68 Q69 E70L47-I66 HydrophobicContact CD1-CG2 3.99Å; K51-I66 HydrophobicContact CG-CG2 4.5Å; N62-I66 HydrophobicContact CB-CD1 4.39Å; N62-I66 VanDerWaalsContact O-CB 3.31Å; N62-I66 WeakPolarHBondContact O-CB 3.27Å; N62-I66 WeakPolarHBondContact O-CG1 3.24Å; N62-I66 PolarHBondContact O-N 3.49Å; K63-I66 PolarHBondContact O-N 3.27Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.35Å; I66-Q69 CarbonylContact O-C 3.58Å; I66-Q69 WeakPolarHBondContact O-CA 3.27Å; I66-Q69 WeakPolarHBondContact O-CB 3.31Å; I66-Q69 PolarHBondContact O-N 3.03Å; I66-E70 HydrophobicContact CG2-CG 4.48Å; I66-E70 PolarHBondContact O-N 3.48Å
67G79.2Confident77.6Confident30 Ų3087.7 Ų87.731%0.30942%0.422SS..Hα-helixtrans-57.9-43.5177.900000112.8K63 R64 Q69 E70 E71K63-G67 PolarHBondContact O-N 3.37Å; R64-G67 PolarHBondContact O-N 3.4Å; G67-Q69 VanDerWaalsContact C-N 3.29Å; G67-Q69 PolarHBondContact O-N 2.96Å; G67-E70 WeakPolarHBondContact O-CB 3.2Å; G67-E70 PolarHBondContact O-N 3.3Å; G67-E71 PolarHBondContact O-N 3.33Å
68K84.1Confident79Confident125 Ų12589 Ų8954%0.54341%0.41SS..Hα-helixtrans-63.6-33174.9-170.6171.3-176170.40112.9R64 I66 R72R64-K68 PolarHBondContact O-N 3.06Å; R64-K68 VanDerWaalsContact O-N 3.12Å; I66-K68 VanDerWaalsContact C-N 3.34Å; I66-K68 PolarHBondContact O-N 3.35Å; K68-R72 WeakPolarHBondContact O-CG 3.29Å; K68-R72 PolarHBondContact O-N 3.29Å
69Q81.5Confident80.4Confident54 Ų5490.3 Ų90.325%0.25241%0.411SS..Hα-helixtrans-74.4-37.2174.8-72.1-172.5-67.100112L47 K50 K65 I66 G67 E71 R72 L73L47-Q69 HydrophobicContact CD1-CB 3.84Å; K50-Q69 VanDerWaalsContact CD-OE1 3.24Å; K65-Q69 WeakPolarHBondContact O-CG 3.31Å; K65-Q69 PolarHBondContact O-N 3.48Å; K65-Q69 VanDerWaalsContact O-N 3.13Å; I66-Q69 CarbonylContact O-C 3.58Å; I66-Q69 WeakPolarHBondContact O-CA 3.27Å; I66-Q69 WeakPolarHBondContact O-CB 3.31Å; I66-Q69 PolarHBondContact O-N 3.03Å; G67-Q69 VanDerWaalsContact C-N 3.29Å; G67-Q69 PolarHBondContact O-N 2.96Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; Q69-R72 PolarHBondContact O-N 2.87Å; Q69-L73 WeakPolarHBondContact O-CB 3.42Å; Q69-L73 PolarHBondContact O-N 3.15Å
70E83Confident81.4Confident37 Ų3785.1 Ų85.117%0.17339%0.387CS..Hα-helixtrans-61.3-41.2173.4-75.4-175.4155.900112.1L47 K51 I66 G67 L73 K74L47-E70 HydrophobicContact CD1-CG 4.08Å; L47-E70 HydrophobicContact CD2-CG 3.57Å; L47-E70 HydrophobicContact CG-CG 4.43Å; K51-E70 WeakPolarHBondContact CE-OE1 3.35Å; K51-E70 IonicContact NZ-OE1 3.27Å; K51-E70 PolarHBondContact NZ-OE1 2.8Å; I66-E70 HydrophobicContact CG2-CG 4.48Å; I66-E70 PolarHBondContact O-N 3.48Å; G67-E70 WeakPolarHBondContact O-CB 3.2Å; G67-E70 PolarHBondContact O-N 3.3Å; E70-L73 PolarHBondContact O-N 2.88Å; E70-K74 WeakPolarHBondContact O-CB 3.36Å; E70-K74 WeakPolarHBondContact O-CG 3.16Å; E70-K74 PolarHBondContact O-N 3Å
71E84.7Confident82.1Confident118 Ų11878.6 Ų78.655%0.55137%0.37SS*.Hα-helixtrans-62.4-50.7177.1-170.6173.6-157.800111.6G67 Q69 L73 K74 E75G67-E71 PolarHBondContact O-N 3.33Å; Q69-E71 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.49Å; E71-K74 WeakPolarHBondContact O-CA 3.23Å; E71-K74 WeakPolarHBondContact O-CB 3.2Å; E71-K74 PolarHBondContact O-N 2.88Å; E71-E75 WeakPolarHBondContact O-CG 3.34Å; E71-E75 PolarHBondContact O-N 3.4Å
72R84.2Confident82.7Confident142 Ų14279.3 Ų79.354%0.53637%0.365SS..Hα-helixtrans-57.7-37.6174.6-73-179.9176.4-168.8-3.4113K68 Q69 E75 T76K68-R72 WeakPolarHBondContact O-CG 3.29Å; K68-R72 PolarHBondContact O-N 3.29Å; Q69-R72 PolarHBondContact O-N 2.87Å; R72-E75 PolarHBondContact O-N 3.4Å; R72-T76 PolarHBondContact O-N 3.49Å; R72-T76 PolarHBondContact O-OG1 3.42Å
73L83.5Confident83.1Confident1 Ų178.7 Ų78.71%0.00536%0.36CS..Hα-helixtrans-69.8-41.8177.4-151.8178.2000110.5L40 Q43 L47 Q69 E70 E71 E75 T76 N77L40-L73 HydrophobicContact CD1-CD2 3.51Å; L40-L73 HydrophobicContact CG-CD2 4.03Å; Q43-L73 HydrophobicContact CB-CD1 4.24Å; Q43-L73 HydrophobicContact CB-CG 3.97Å; Q43-L73 VanDerWaalsContact OE1-CA 3.3Å; L47-L73 HydrophobicContact CD2-CD1 4.05Å; Q69-L73 WeakPolarHBondContact O-CB 3.42Å; Q69-L73 PolarHBondContact O-N 3.15Å; E70-L73 PolarHBondContact O-N 2.88Å; E71-L73 PolarHBondContact O-N 3.49Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.16Å; L73-T76 PolarHBondContact O-N 3Å; L73-N77 WeakPolarHBondContact O-CB 3.45Å; L73-N77 PolarHBondContact O-N 2.95Å
74K85.2Confident83.5Confident95 Ų9575 Ų7541%0.41334%0.344SS..Hα-helixtrans-60-42.8173.2-77.1176.4-179178.20111.3E70 E71 N77 R78E70-K74 WeakPolarHBondContact O-CB 3.36Å; E70-K74 WeakPolarHBondContact O-CG 3.16Å; E70-K74 PolarHBondContact O-N 3Å; E71-K74 WeakPolarHBondContact O-CA 3.23Å; E71-K74 WeakPolarHBondContact O-CB 3.2Å; E71-K74 PolarHBondContact O-N 2.88Å; K74-N77 PolarHBondContact O-N 3.48Å; K74-R78 VanDerWaalsContact O-CB 3.3Å; K74-R78 WeakPolarHBondContact O-CB 3.5Å; K74-R78 PolarHBondContact O-N 3Å
75E87.7Confident83.8Confident109 Ų10971.7 Ų71.751%0.50934%0.337SS..Hα-helixtrans-59.9-50.3174.2-71174.7164.200111.4E71 R72 L73 N77 R78 D79E71-E75 WeakPolarHBondContact O-CG 3.34Å; E71-E75 PolarHBondContact O-N 3.4Å; R72-E75 PolarHBondContact O-N 3.4Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E75 PolarHBondContact O-N 3.16Å; E75-N77 VanDerWaalsContact C-N 3.31Å; E75-N77 PolarHBondContact O-N 2.89Å; E75-R78 WeakPolarHBondContact O-CB 3.35Å; E75-R78 PolarHBondContact O-N 3.42Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-D79 PolarHBondContact O-N 3.12Å
76T86.3Confident84Confident15 Ų1573.7 Ų73.79%0.09235%0.346CS..Hα-helixtrans-60.6-40.8178-52.10000111.6E39 L40 R72 L73 D79 L80E39-T76 HydrophobicContact CB-CG2 4.42Å; E39-T76 HydrophobicContact CG-CG2 4.28Å; L40-T76 HydrophobicContact CB-CG2 4.17Å; L40-T76 HydrophobicContact CD1-CG2 3.84Å; R72-T76 PolarHBondContact O-N 3.49Å; R72-T76 PolarHBondContact O-OG1 3.42Å; L73-T76 PolarHBondContact O-N 3Å; T76-D79 PolarHBondContact O-N 2.73Å; T76-L80 WeakPolarHBondContact O-CB 3.29Å; T76-L80 PolarHBondContact O-N 3.48Å
77N85Confident84.1Confident45 Ų4573.5 Ų73.524%0.24135%0.347CS..Hα-helixtrans-65.8-39.6176.4-168.549.9000111.8L40 L73 K74 E75 L80 S81L40-N77 VanDerWaalsContact CD1-CA 3.48Å; L40-N77 HydrophobicContact CD1-CB 3.68Å; L40-N77 VanDerWaalsContact CD1-N 3.32Å; L73-N77 WeakPolarHBondContact O-CB 3.45Å; L73-N77 PolarHBondContact O-N 2.95Å; K74-N77 PolarHBondContact O-N 3.48Å; E75-N77 VanDerWaalsContact C-N 3.31Å; E75-N77 PolarHBondContact O-N 2.89Å; N77-L80 PolarHBondContact O-N 2.9Å; N77-S81 VanDerWaalsContact O-CB 3.27Å; N77-S81 WeakPolarHBondContact O-CB 3.15Å; N77-S81 PolarHBondContact O-N 3.07Å; N77-S81 PolarHBondContact O-OG 2.78Å
78R86.9Confident84.4Confident176 Ų17675.2 Ų75.266%0.66435%0.348SS*.Hα-helixtrans-63.5-48.6176.8-179.3-179.6174.8171.6-1.2110.1K74 E75 L80 S81 L82K74-R78 VanDerWaalsContact O-CB 3.3Å; K74-R78 WeakPolarHBondContact O-CB 3.5Å; K74-R78 PolarHBondContact O-N 3Å; E75-R78 WeakPolarHBondContact O-CB 3.35Å; E75-R78 PolarHBondContact O-N 3.42Å; E75-R78 VanDerWaalsContact O-N 3.12Å; R78-L80 VanDerWaalsContact C-N 3.33Å; R78-L80 PolarHBondContact O-N 3.31Å; R78-S81 CarbonylContact O-C 3.57Å; R78-S81 PolarHBondContact O-N 3.37Å; R78-S81 VanDerWaalsContact O-N 3.16Å; R78-L82 HydrophobicContact CG-CD1 4.12Å; R78-L82 HydrophobicContact CG-CG 4.35Å; R78-L82 WeakPolarHBondContact O-CB 3.18Å; R78-L82 VanDerWaalsContact O-CG 3.28Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 2.75Å
79D87.7Confident84.7Confident74 Ų7476 Ų7640%0.39635%0.351SS..Hα-helixtrans-61.9-41.2178.2-79.4-2.2000112.2L36 E75 T76 S81 L82 F83L36-D79 HydrophobicContact CD2-CB 3.57Å; E75-D79 PolarHBondContact O-N 3.12Å; T76-D79 PolarHBondContact O-N 2.73Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 PolarHBondContact O-N 2.76Å; D79-L82 PolarHBondContact O-N 3.28Å; D79-F83 WeakPolarHBondContact O-CB 3.35Å; D79-F83 PolarHBondContact O-N 3.19Å
80L85.2Confident84.9Confident6 Ų675.4 Ų75.43%0.03136%0.36CS..Hα-helixtrans-63.4-41.6175.2-175.5142.2000111.3Y33 L36 K37 T76 N77 R78 F83 K84 M167Y33-L80 HydrophobicContact CD2-CG 4.22Å; Y33-L80 HydrophobicContact CE2-CD1 4.08Å; Y33-L80 HydrophobicContact CE2-CD2 3.95Å; Y33-L80 HydrophobicContact CE2-CG 3.75Å; L36-L80 HydrophobicContact CB-CB 4.41Å; L36-L80 HydrophobicContact CB-CD1 4.17Å; L36-L80 HydrophobicContact CD2-CB 4.3Å; K37-L80 HydrophobicContact CB-CD1 3.83Å; K37-L80 HydrophobicContact CG-CD1 4.48Å; T76-L80 WeakPolarHBondContact O-CB 3.29Å; T76-L80 PolarHBondContact O-N 3.48Å; N77-L80 PolarHBondContact O-N 2.9Å; R78-L80 VanDerWaalsContact C-N 3.33Å; R78-L80 PolarHBondContact O-N 3.31Å; L80-F83 PolarHBondContact O-N 3.18Å; L80-K84 PolarHBondContact O-N 2.88Å; L80-M167 HydrophobicContact CD2-CE 4.25Å
81S83.4Confident85.1Confident51 Ų5174.2 Ų74.236%0.35735%0.354SS..Hα-helixtrans-68.1-41177.7-60.60000111.8N77 R78 D79 F83 K84 M85N77-S81 VanDerWaalsContact O-CB 3.27Å; N77-S81 WeakPolarHBondContact O-CB 3.15Å; N77-S81 PolarHBondContact O-N 3.07Å; N77-S81 PolarHBondContact O-OG 2.78Å; R78-S81 CarbonylContact O-C 3.57Å; R78-S81 PolarHBondContact O-N 3.37Å; R78-S81 VanDerWaalsContact O-N 3.16Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 PolarHBondContact O-N 2.76Å; S81-F83 VanDerWaalsContact C-N 3.32Å; S81-F83 PolarHBondContact O-N 3.24Å; S81-K84 PolarHBondContact O-N 3.01Å; S81-M85 WeakPolarHBondContact O-CB 3.02Å; S81-M85 PolarHBondContact O-N 2.78Å
82L84.8Confident85.3Confident79 Ų7970 Ų7041%0.41434%0.342SS..Hα-helixtrans-60.4-43.2173.8-73.5173.6000110.9R78 D79 M85 K86R78-L82 HydrophobicContact CG-CD1 4.12Å; R78-L82 HydrophobicContact CG-CG 4.35Å; R78-L82 WeakPolarHBondContact O-CB 3.18Å; R78-L82 VanDerWaalsContact O-CG 3.28Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 2.75Å; D79-L82 PolarHBondContact O-N 3.28Å; L82-M85 HydrophobicContact CD2-CE 3.63Å; L82-M85 PolarHBondContact O-N 3.27Å; L82-K86 WeakPolarHBondContact O-CB 3.27Å; L82-K86 PolarHBondContact O-N 3.4Å
83F82Confident85.6Confident42 Ų4268 Ų6818%0.18434%0.341CS..Hα-helixtrans-62.6-46177.5-163-88.5000112.1V27 N30 Y33 D79 L80 S81 S87V27-F83 HydrophobicContact CG1-CD1 4.31Å; N30-F83 HydrophobicContact CB-CE1 3.92Å; N30-F83 HydrophobicContact CB-CZ 3.99Å; N30-F83 WeakPolarHBondContact ND2-CZ 3.48Å; Y33-F83 HydrophobicContact CD2-CD1 4.07Å; D79-F83 WeakPolarHBondContact O-CB 3.35Å; D79-F83 PolarHBondContact O-N 3.19Å; L80-F83 PolarHBondContact O-N 3.18Å; S81-F83 VanDerWaalsContact C-N 3.32Å; S81-F83 PolarHBondContact O-N 3.24Å; F83-S87 PolarHBondContact O-N 2.81Å; F83-S87 PolarHBondContact O-OG 3.35Å
84K83.6Confident85.9Confident39 Ų3970.4 Ų70.417%0.1736%0.361CS..Hα-helixtrans-65.2-43.6176.4-169.4175.2-179.6176.90111.3L80 S81 S87 M88L80-K84 PolarHBondContact O-N 2.88Å; S81-K84 PolarHBondContact O-N 3.01Å; K84-S87 PolarHBondContact O-N 3.35Å; K84-M88 HydrophobicContact CD-CE 4.41Å; K84-M88 HydrophobicContact CD-SD 4.43Å; K84-M88 HydrophobicContact CG-CE 4.4Å; K84-M88 HydrophobicContact CG-CG 4.23Å; K84-M88 HydrophobicContact CG-SD 4.07Å; K84-M88 WeakPolarHBondContact O-CB 3.31Å; K84-M88 WeakPolarHBondContact O-CG 3.5Å; K84-M88 PolarHBondContact O-N 2.72Å
85M83.8Confident86Confident113 Ų11366.9 Ų66.956%0.55735%0.346SS*.Hα-helixtrans-64.1-44-179.4179167.243.100112.3S81 L82 S87 M88 F89S81-M85 WeakPolarHBondContact O-CB 3.02Å; S81-M85 PolarHBondContact O-N 2.78Å; L82-M85 HydrophobicContact CD2-CE 3.63Å; L82-M85 PolarHBondContact O-N 3.27Å; M85-S87 PolarHBondContact O-N 3.39Å; M85-M88 PolarHBondContact O-N 3.47Å; M85-F89 WeakPolarHBondContact O-CB 3.36Å; M85-F89 PolarHBondContact O-N 2.84Å
86K83.6Confident86.1Confident175 Ų17565.8 Ų65.876%0.76135%0.347SS*.Hα-helixtrans-56.8-42.5175-176.5176.7179.5177.40111.4L82L82-K86 WeakPolarHBondContact O-CB 3.27Å; L82-K86 PolarHBondContact O-N 3.4Å
87S81.8Confident86.2Confident18 Ų1867.9 Ų67.913%0.12637%0.366CS..Hα-helixtrans-73.9-40.4179.5-52.30000112F83 K84 M85 F89 G90 I91F83-S87 PolarHBondContact O-N 2.81Å; F83-S87 PolarHBondContact O-OG 3.35Å; K84-S87 PolarHBondContact O-N 3.35Å; M85-S87 PolarHBondContact O-N 3.39Å; S87-F89 VanDerWaalsContact C-N 3.29Å; S87-F89 PolarHBondContact O-N 3.49Å; S87-G90 PolarHBondContact O-N 2.77Å; S87-I91 VanDerWaalsContact O-CG1 3.3Å; S87-I91 WeakPolarHBondContact O-CG1 3.3Å; S87-I91 PolarHBondContact O-N 3.34Å; S87-I91 VanDerWaalsContact O-N 3.14Å
88M85.3Confident86.4Confident66 Ų6669.2 Ų69.233%0.32537%0.373SS..Hα-helixtrans-65.6-29.6176.7-80.3-168.3154.600112.8K84 M85 G92K84-M88 HydrophobicContact CD-CE 4.41Å; K84-M88 HydrophobicContact CD-SD 4.43Å; K84-M88 HydrophobicContact CG-CE 4.4Å; K84-M88 HydrophobicContact CG-CG 4.23Å; K84-M88 HydrophobicContact CG-SD 4.07Å; K84-M88 WeakPolarHBondContact O-CB 3.31Å; K84-M88 WeakPolarHBondContact O-CG 3.5Å; K84-M88 PolarHBondContact O-N 2.72Å; M85-M88 PolarHBondContact O-N 3.47Å; M88-G92 WeakPolarHBondContact O-CA 3.33Å; M88-G92 PolarHBondContact O-N 2.92Å
89F88.9Confident86.5Confident142 Ų14262.6 Ų62.662%0.62335%0.35SS*.Hα-helixtrans-65.1-49.5175.4-176.4-102000111.8M85 S87 I91 G92 L93M85-F89 WeakPolarHBondContact O-CB 3.36Å; M85-F89 PolarHBondContact O-N 2.84Å; S87-F89 VanDerWaalsContact C-N 3.29Å; S87-F89 PolarHBondContact O-N 3.49Å; F89-I91 PolarHBondContact O-N 2.85Å; F89-G92 WeakPolarHBondContact O-CA 3.42Å; F89-G92 PolarHBondContact O-N 2.74Å; F89-G92 VanDerWaalsContact O-N 3.11Å; F89-L93 HydrophobicContact CD1-CD1 4.22Å; F89-L93 HydrophobicContact CE1-CD1 3.68Å; F89-L93 HydrophobicContact CE1-CG 4.21Å; F89-L93 HydrophobicContact CZ-CD1 4.12Å; F89-L93 HydrophobicContact CZ-CD2 4.31Å; F89-L93 HydrophobicContact CZ-CG 4.33Å; F89-L93 PolarHBondContact O-N 3.32Å
90G86.9Confident86.5Confident41 Ų4162.8 Ų62.842%0.42336%0.357SS..Hα-helixtrans-62.2-43.3177.200000112.5S87 G92 L93 A94S87-G90 PolarHBondContact O-N 2.77Å; G90-G92 VanDerWaalsContact C-N 3.29Å; G90-G92 PolarHBondContact O-N 2.9Å; G90-L93 PolarHBondContact O-N 2.82Å; G90-A94 PolarHBondContact O-N 3.43Å
91I87Confident86.7Confident12 Ų1266.4 Ų66.46%0.06238%0.38CS..Hα-helixtrans-61-41173.3-67.3170000110.7L22 I26 S87 F89 A94 F95L22-I91 HydrophobicContact CB-CD1 4.27Å; L22-I91 HydrophobicContact CB-CG1 4.4Å; I26-I91 HydrophobicContact CD1-CD1 4.32Å; I26-I91 HydrophobicContact CD1-CG1 4.24Å; S87-I91 VanDerWaalsContact O-CG1 3.3Å; S87-I91 WeakPolarHBondContact O-CG1 3.3Å; S87-I91 PolarHBondContact O-N 3.34Å; S87-I91 VanDerWaalsContact O-N 3.14Å; F89-I91 PolarHBondContact O-N 2.85Å; I91-A94 PolarHBondContact O-N 2.98Å; I91-F95 HydrophobicContact CG2-CD2 3.46Å; I91-F95 VanDerWaalsContact CG2-CD2 3.46Å; I91-F95 HydrophobicContact CG2-CE2 3.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.3Å; I91-F95 PolarHBondContact O-N 2.82Å
92G88.4Confident86.9Confident28 Ų2866.4 Ų66.429%0.28937%0.374SS..Hα-helixtrans-60-44.7177.100000112.6M88 F89 G90 A94 F95 T96M88-G92 WeakPolarHBondContact O-CA 3.33Å; M88-G92 PolarHBondContact O-N 2.92Å; F89-G92 WeakPolarHBondContact O-CA 3.42Å; F89-G92 PolarHBondContact O-N 2.74Å; F89-G92 VanDerWaalsContact O-N 3.11Å; G90-G92 VanDerWaalsContact C-N 3.29Å; G90-G92 PolarHBondContact O-N 2.9Å; G92-A94 PolarHBondContact O-N 3.35Å; G92-F95 PolarHBondContact O-N 2.84Å; G92-T96 WeakPolarHBondContact O-CB 3.38Å; G92-T96 PolarHBondContact O-N 3.25Å; G92-T96 PolarHBondContact O-OG1 2.9Å
93L91.5Very high86.9Confident100 Ų10063.9 Ų63.952%0.52436%0.363SS..Hα-helixtrans-61.1-43.3176.1-67.7179.5000112.3F89 G90 F95 T96 A97F89-L93 HydrophobicContact CD1-CD1 4.22Å; F89-L93 HydrophobicContact CE1-CD1 3.68Å; F89-L93 HydrophobicContact CE1-CG 4.21Å; F89-L93 HydrophobicContact CZ-CD1 4.12Å; F89-L93 HydrophobicContact CZ-CD2 4.31Å; F89-L93 HydrophobicContact CZ-CG 4.33Å; F89-L93 PolarHBondContact O-N 3.32Å; G90-L93 PolarHBondContact O-N 2.82Å; L93-F95 VanDerWaalsContact C-N 3.35Å; L93-F95 PolarHBondContact O-N 3.47Å; L93-T96 PolarHBondContact O-N 3.31Å; L93-A97 PolarHBondContact O-N 2.94Å
94A88.5Confident87.1Confident52 Ų5265.8 Ų65.843%0.4338%0.381SS..Hα-helixtrans-62.3-42.3175.700000111.7G90 I91 G92 A97 L98G90-A94 PolarHBondContact O-N 3.43Å; I91-A94 PolarHBondContact O-N 2.98Å; G92-A94 PolarHBondContact O-N 3.35Å; A94-A97 PolarHBondContact O-N 3.29Å; A94-L98 PolarHBondContact O-N 3.35Å; A94-L98 VanDerWaalsContact O-N 3.11Å
95F87.9Confident87.1Confident21 Ų2169.5 Ų69.59%0.09240%0.4CS..Hα-helixtrans-68.6-33.5175.6-80.6-58.1000113.8T15 G19 I91 G92 L93 A97 L98 L99T15-F95 HydrophobicContact CG2-CD1 3.34Å; T15-F95 HydrophobicContact CG2-CE1 3.18Å; T15-F95 HydrophobicContact CG2-CG 4.45Å; T15-F95 HydrophobicContact CG2-CZ 4.16Å; T15-F95 WeakPolarHBondContact O-CZ 3.43Å; G19-F95 VanDerWaalsContact CA-CE2 3.41Å; I91-F95 HydrophobicContact CG2-CD2 3.46Å; I91-F95 VanDerWaalsContact CG2-CD2 3.46Å; I91-F95 HydrophobicContact CG2-CE2 3.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.3Å; I91-F95 PolarHBondContact O-N 2.82Å; G92-F95 PolarHBondContact O-N 2.84Å; L93-F95 VanDerWaalsContact C-N 3.35Å; L93-F95 PolarHBondContact O-N 3.47Å; F95-A97 VanDerWaalsContact C-N 3.33Å; F95-L98 HydrophobicContact CD1-CD1 3.95Å; F95-L98 HydrophobicContact CE1-CD1 4.12Å; F95-L98 PolarHBondContact O-N 2.94Å; F95-L99 VanDerWaalsContact O-CB 3.24Å; F95-L99 WeakPolarHBondContact O-CB 3.4Å; F95-L99 PolarHBondContact O-N 2.87Å
96T89Confident87.1Confident87 Ų8765.8 Ų65.853%0.53438%0.381SS..Hα-helixtrans-64.8-39.2173.6-62.60000110.9G92 L93 L99 S100G92-T96 WeakPolarHBondContact O-CB 3.38Å; G92-T96 PolarHBondContact O-N 3.25Å; G92-T96 PolarHBondContact O-OG1 2.9Å; L93-T96 PolarHBondContact O-N 3.31Å; T96-L99 PolarHBondContact O-N 3.38Å; T96-S100 WeakPolarHBondContact O-CB 3.34Å; T96-S100 PolarHBondContact O-N 2.82Å
97A90.1Very high87.1Confident59 Ų5961.1 Ų61.149%0.48836%0.364SS..Hα-helixtrans-62.9-47.8174.400000111.6L93 A94 F95 L99 S100 T101L93-A97 PolarHBondContact O-N 2.94Å; A94-A97 PolarHBondContact O-N 3.29Å; F95-A97 VanDerWaalsContact C-N 3.33Å; A97-L99 PolarHBondContact O-N 2.92Å; A97-S100 WeakPolarHBondContact O-CB 3.38Å; A97-S100 PolarHBondContact O-N 2.7Å; A97-T101 PolarHBondContact O-N 2.72Å; A97-T101 PolarHBondContact O-OG1 2.77Å
98L88Confident87.1Confident72 Ų7262.3 Ų62.338%0.37738%0.38SS..Hα-helixtrans-59-45.7175.1-70.7170.2000112.1A94 F95 S100 T101 F102A94-L98 PolarHBondContact O-N 3.35Å; A94-L98 VanDerWaalsContact O-N 3.11Å; F95-L98 HydrophobicContact CD1-CD1 3.95Å; F95-L98 HydrophobicContact CE1-CD1 4.12Å; F95-L98 PolarHBondContact O-N 2.94Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.19Å; L98-T101 PolarHBondContact O-N 2.84Å; L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 WeakPolarHBondContact O-CD2 3.41Å; L98-F102 PolarHBondContact O-N 3.4Å
99L89.4Confident87.1Confident37 Ų3763.1 Ų63.119%0.19438%0.383CS..Hα-helixtrans-60.5-42176.8176.656000111.2F95 T96 A97 F102 S103 F140 Y144F95-L99 VanDerWaalsContact O-CB 3.24Å; F95-L99 WeakPolarHBondContact O-CB 3.4Å; F95-L99 PolarHBondContact O-N 2.87Å; T96-L99 PolarHBondContact O-N 3.38Å; A97-L99 PolarHBondContact O-N 2.92Å; L99-F102 PolarHBondContact O-N 3.43Å; L99-S103 WeakPolarHBondContact O-CA 3.24Å; L99-S103 WeakPolarHBondContact O-CB 3.5Å; L99-S103 PolarHBondContact O-N 3.08Å; L99-F140 HydrophobicContact CD1-CE1 3.78Å; L99-Y144 HydrophobicContact CB-CE1 4.33Å; L99-Y144 HydrophobicContact CD1-CD1 3.5Å; L99-Y144 VanDerWaalsContact CD1-CD1 3.5Å; L99-Y144 HydrophobicContact CD1-CE1 3.6Å; L99-Y144 HydrophobicContact CD1-CG 4.23Å; L99-Y144 HydrophobicContact CD2-CD1 4.49Å; L99-Y144 HydrophobicContact CD2-CE1 4.23Å; L99-Y144 HydrophobicContact CG-CE1 4.26Å
100S88.8Confident87Confident78 Ų7858 Ų5855%0.54536%0.363SS..Hα-helixtrans-61.2-45.9176.9-168.80000111.6T96 A97 L98 S103 S104T96-S100 WeakPolarHBondContact O-CB 3.34Å; T96-S100 PolarHBondContact O-N 2.82Å; A97-S100 WeakPolarHBondContact O-CB 3.38Å; A97-S100 PolarHBondContact O-N 2.7Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 3.19Å; S100-S103 PolarHBondContact O-N 3.42Å; S100-S104 PolarHBondContact O-N 2.85Å; S100-S104 PolarHBondContact O-OG 3.4Å
101T88.4Confident87Confident82 Ų8256.1 Ų56.150%0.50334%0.343SS..Hα-helixtrans-62-45.1177.6-55.20000112.3A97 L98 S104 M105A97-T101 PolarHBondContact O-N 2.72Å; A97-T101 PolarHBondContact O-OG1 2.77Å; L98-T101 PolarHBondContact O-N 2.84Å; T101-S104 PolarHBondContact O-OG 2.88Å; T101-M105 WeakPolarHBondContact O-CG 3.48Å; T101-M105 PolarHBondContact O-N 3.32Å
102F87Confident87Confident52 Ų5256.7 Ų56.723%0.22835%0.35CS..Hα-helixtrans-72.4-33176.9-65-55.2000112.2I11 L98 L99 S104 M105 F106 F140I11-F102 HydrophobicContact CD1-CD1 4.38Å; I11-F102 HydrophobicContact CD1-CE1 4.35Å; I11-F102 HydrophobicContact CG2-CD2 3.98Å; I11-F102 HydrophobicContact CG2-CE2 3.8Å; I11-F102 HydrophobicContact CG2-CZ 4.22Å; L98-F102 HydrophobicContact CB-CE2 4.46Å; L98-F102 WeakPolarHBondContact O-CD2 3.41Å; L98-F102 PolarHBondContact O-N 3.4Å; L99-F102 PolarHBondContact O-N 3.43Å; F102-S104 VanDerWaalsContact C-N 3.28Å; F102-S104 PolarHBondContact O-N 3.25Å; F102-M105 HydrophobicContact CD1-SD 4.11Å; F102-M105 PolarHBondContact O-N 3.42Å; F102-M105 VanDerWaalsContact O-N 3.13Å; F102-F106 VanDerWaalsContact O-CD2 3.3Å; F102-F106 WeakPolarHBondContact O-CD2 3.35Å; F102-F106 PolarHBondContact O-N 3.14Å; F102-F140 HydrophobicContact CB-CE1 3.6Å; F102-F140 HydrophobicContact CB-CE2 4.19Å; F102-F140 HydrophobicContact CB-CZ 3.33Å; F102-F140 HydrophobicContact CG-CZ 4.26Å
103S86.2Confident87Confident26 Ų2661 Ų6118%0.18236%0.36CS..Hα-helixtrans-62.5-35.6176.9-174.40000112.2L99 S100 D107 I141L99-S103 WeakPolarHBondContact O-CA 3.24Å; L99-S103 WeakPolarHBondContact O-CB 3.5Å; L99-S103 PolarHBondContact O-N 3.08Å; S100-S103 PolarHBondContact O-N 3.42Å; S103-D107 PolarHBondContact O-N 2.82Å; S103-I141 WeakPolarHBondContact OG-CD1 3.44Å
104S84.9Confident86.8Confident82 Ų8257.6 Ų57.657%0.57334%0.343SS*.Hα-helixtrans-74.5-28.4174.960.50000112.6S100 T101 F102 D107S100-S104 PolarHBondContact O-N 2.85Å; S100-S104 PolarHBondContact O-OG 3.4Å; T101-S104 PolarHBondContact O-OG 2.88Å; F102-S104 VanDerWaalsContact C-N 3.28Å; F102-S104 PolarHBondContact O-N 3.25Å; S104-D107 WeakPolarHBondContact O-CB 3.44Å
105M83.9Confident86.8Confident117 Ų11761.2 Ų61.258%0.57636%0.362SS*.Hα-helixtrans-71.5-37.9176.1-70.7-18065.400113T101 F102 D107 Q109T101-M105 WeakPolarHBondContact O-CG 3.48Å; T101-M105 PolarHBondContact O-N 3.32Å; F102-M105 HydrophobicContact CD1-SD 4.11Å; F102-M105 PolarHBondContact O-N 3.42Å; F102-M105 VanDerWaalsContact O-N 3.13Å; M105-D107 VanDerWaalsContact C-N 3.31Å; M105-Q109 PolarHBondContact O-NE2 2.68Å
106F83.2Confident86.8Confident35 Ų3566 Ų6615%0.15438%0.383CS..THydrogen-bonded Turntrans-98.323.3178.9-66.1-76.1000112.6I11 F102 Q109 F140I11-F106 HydrophobicContact CD1-CE2 4.33Å; F102-F106 VanDerWaalsContact O-CD2 3.3Å; F102-F106 WeakPolarHBondContact O-CD2 3.35Å; F102-F106 PolarHBondContact O-N 3.14Å; F106-Q109 PolarHBondContact O-N 2.71Å; F106-F140 HydrophobicContact CB-CB 3.67Å; F106-F140 HydrophobicContact CB-CD2 4.04Å; F106-F140 HydrophobicContact CB-CG 3.84Å; F106-F140 AromaticContact CD2-CD2 3.53Å; F106-F140 HydrophobicContact CD2-CD2 3.53Å; F106-F140 AromaticContact CD2-CE2 3.73Å; F106-F140 HydrophobicContact CD2-CE2 3.73Å; F106-F140 HydrophobicContact CD2-CG 4.06Å; F106-F140 HydrophobicContact CD2-CZ 4.37Å; F106-F140 HydrophobicContact CE2-CD2 4.21Å; F106-F140 HydrophobicContact CE2-CE2 4.08Å; F106-F140 HydrophobicContact CG-CB 4.39Å; F106-F140 AromaticContact CG-CD2 3.88Å; F106-F140 HydrophobicContact CG-CD2 3.88Å; F106-F140 HydrophobicContact CG-CG 4.2Å
107D83.5Confident86.6Confident76 Ų7665.9 Ų65.941%0.40638%0.382SS..THydrogen-bonded Turntrans-67.6140-175.9-16213.4000112.2S103 S104 M105 Q109 N129S103-D107 PolarHBondContact O-N 2.82Å; S104-D107 WeakPolarHBondContact O-CB 3.44Å; M105-D107 VanDerWaalsContact C-N 3.31Å; D107-Q109 PolarHBondContact O-N 3.41Å; D107-Q109 VanDerWaalsContact O-N 3.14Å; D107-N129 WeakPolarHBondContact OD1-CB 3.02Å; D107-N129 PolarHBondContact OD1-ND2 3.43Å; D107-N129 PolarHBondContact OD2-ND2 3.3Å
108G82.5Confident86.4Confident43 Ų4363.2 Ų63.244%0.44336%0.36SS..THydrogen-bonded Turntrans71.8-3-177.800000115.3N129G108-N129 WeakPolarHBondContact CA-O 3.18Å; G108-N129 PolarHBondContact N-O 2.91Å
109Q84.4Confident86.3Confident84 Ų8464.4 Ų64.439%0.39337%0.37SS..  trans-99.1124.4-170.7-66.4177.945.800112.5M105 F106 D107 V111 L130M105-Q109 PolarHBondContact O-NE2 2.68Å; F106-Q109 PolarHBondContact O-N 2.71Å; D107-Q109 PolarHBondContact O-N 3.41Å; D107-Q109 VanDerWaalsContact O-N 3.14Å; Q109-V111 PolarHBondContact O-N 2.89Å; Q109-L130 WeakPolarHBondContact O-CD2 3.46Å
110V87.2Confident86Confident35 Ų3567.3 Ų67.321%0.21239%0.393CS..  trans-72.7114.4169-1780000109.2A112 L130 D137V110-A112 WeakPolarHBondContact CG1-O 3.17Å; V110-L130 HydrophobicContact CG2-CD1 4.41Å; V110-L130 HydrophobicContact CG2-CD2 4.11Å; V110-D137 HydrophobicContact CB-CB 4.49Å; V110-D137 HydrophobicContact CG1-CB 3.78Å; V110-D137 HydrophobicContact CG2-CB 3.89Å
111V87.4Confident85.8Confident0 Ų072.6 Ų72.60%041%0.407CS..  trans-97.3-21.9-174.7-57.20000113.1S5 I8 Q109 C138 S139 F140 L143S5-V111 PolarHBondContact OG-O 3.27Å; I8-V111 HydrophobicContact CD1-CB 3.48Å; I8-V111 VanDerWaalsContact CD1-CB 3.48Å; I8-V111 HydrophobicContact CD1-CG1 3.39Å; I8-V111 HydrophobicContact CD1-CG2 3.81Å; Q109-V111 PolarHBondContact O-N 2.89Å; V111-C138 VanDerWaalsContact CG2-O 3.27Å; V111-C138 WeakPolarHBondContact CG2-O 3.44Å; V111-C138 PolarHBondContact N-O 2.91Å; V111-S139 WeakPolarHBondContact CG2-O 3.25Å; V111-F140 HydrophobicContact CG1-CB 4.26Å; V111-L143 HydrophobicContact CG2-CB 4.15Å; V111-L143 HydrophobicContact CG2-CD2 3.92Å
112A87.5Confident85.6Confident24 Ų2471.8 Ų71.820%0.19840%0.399CS..EExtended strand (participates in β ladder)trans-157.8162.6175.900000109.7V110 C138V110-A112 WeakPolarHBondContact CG1-O 3.17Å; A112-C138 HydrophobicContact CB-CB 3.94Å; A112-C138 WeakPolarHBondContact O-CB 3.23Å; A112-C138 PolarHBondContact O-N 3.48Å
113K87.9Confident85.6Confident119 Ų11971.5 Ų71.552%0.51740%0.398SS..EExtended strand (participates in β ladder)trans-109.5132.5165.1-77.1-156.7176.9-146.20109.9D134 D137K113-D134 IonicContact NZ-OD2 2.69Å; K113-D134 PolarHBondContact NZ-OD2 2.96Å; K113-D137 WeakPolarHBondContact CE-OD1 3.18Å; K113-D137 IonicContact NZ-OD1 3.59Å
114L87.3Confident85.5Confident29 Ų2972.9 Ų72.915%0.15242%0.417CS..  trans-82.7140.7176-61.5171000109.2F116 P118 T136 C138 F142L114-F116 WeakPolarHBondContact CB-O 3.34Å; L114-F116 PolarHBondContact O-N 3.46Å; L114-F116 VanDerWaalsContact O-N 3.16Å; L114-P118 HydrophobicContact CD1-CG 3.47Å; L114-P118 VanDerWaalsContact CD1-CG 3.47Å; L114-T136 PolarHBondContact N-O 3Å; L114-C138 HydrophobicContact CD2-CB 4.49Å; L114-C138 HydrophobicContact CG-CB 4.18Å; L114-F142 HydrophobicContact CD1-CD1 4.49Å; L114-F142 HydrophobicContact CD1-CE1 3.89Å; L114-F142 HydrophobicContact CD2-CE1 4.09Å
115P87.6Confident85.5Confident128 Ų12872.1 Ų72.183%0.83141%0.406SS*.SBendtrans-764.6176.430.8-32.8000113.1
116F89.6Confident85.6Confident120 Ų12066.6 Ų66.653%0.52638%0.379SS..SBendtrans-145.5155.2179.459.9-93000110L114 P118L114-F116 WeakPolarHBondContact CB-O 3.34Å; L114-F116 PolarHBondContact O-N 3.46Å; L114-F116 VanDerWaalsContact O-N 3.16Å; F116-P118 WeakPolarHBondContact O-CD 3.12Å
117T84.5Confident85.7Confident85 Ų8566.4 Ų66.452%0.52138%0.378SS..PPolyproline II helixtrans-76119.9169.3-49.80000109.2L135T117-L135 HydrophobicContact CG2-CB 3.74Å; T117-L135 HydrophobicContact CG2-CD1 3.96Å
118P84.3Confident85.6Confident3 Ų369.9 Ų69.92%0.01939%0.386CS..PPolyproline II helixtrans-57.1148.4179.1-25.135.9000111.8L114 F116 Q123 S126 L135L114-P118 HydrophobicContact CD1-CG 3.47Å; L114-P118 VanDerWaalsContact CD1-CG 3.47Å; F116-P118 WeakPolarHBondContact O-CD 3.12Å; P118-Q123 HydrophobicContact CB-CG 4.07Å; P118-Q123 WeakPolarHBondContact O-CG 3.22Å; P118-Q123 PolarHBondContact O-NE2 3.03Å; P118-S126 WeakPolarHBondContact CG-OG 3.41Å; P118-L135 WeakPolarHBondContact CD-O 3.47Å
119V86Confident85.5Confident98 Ų9872.5 Ų72.559%0.59439%0.39SS*.PPolyproline II helixtrans-59.1143171.5-65.40000110.3F121 L122 Q123V119-F121 PolarHBondContact O-N 2.89Å; V119-L122 HydrophobicContact CG2-CB 4.14Å; V119-L122 HydrophobicContact CG2-CD1 3.89Å; V119-L122 HydrophobicContact CG2-CG 3.88Å; V119-L122 PolarHBondContact O-N 3.16Å; V119-Q123 PolarHBondContact O-N 3.38Å
120S84.9Confident85.4Confident97 Ų9769.4 Ų69.468%0.67838%0.375SS*.Hα-helixtrans-52.2-31.5-170.9-52.60000114.7L122 Q123S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.43Å; S120-Q123 PolarHBondContact O-N 2.69Å
121F83.3Confident84.9Confident189 Ų18972 Ų7283%0.82940%0.401SS*.Hα-helixtrans-65.2-33.6175.4-179.5-106.8000113.9V119V119-F121 PolarHBondContact O-N 2.89Å
122L85Confident84.5Confident65 Ų6574 Ų7434%0.3442%0.421SS..Hα-helixtrans-91.3-16.6179.5-65.4179.4000113V119 S120 G124 L125 S126 F142V119-L122 HydrophobicContact CG2-CB 4.14Å; V119-L122 HydrophobicContact CG2-CD1 3.89Å; V119-L122 HydrophobicContact CG2-CG 3.88Å; V119-L122 PolarHBondContact O-N 3.16Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.43Å; L122-G124 PolarHBondContact O-N 3.35Å; L122-L125 PolarHBondContact O-N 2.83Å; L122-S126 PolarHBondContact O-N 3.24Å; L122-S126 PolarHBondContact O-OG 3.34Å; L122-F142 HydrophobicContact CB-CE2 4.4Å
123Q85.6Confident84.2Confident46 Ų4680.8 Ų80.822%0.21546%0.455CS..Hα-helixtrans-55.2-38179.9-73.2176.76.800112.4P118 V119 S120 L125 S126 H127P118-Q123 HydrophobicContact CB-CG 4.07Å; P118-Q123 WeakPolarHBondContact O-CG 3.22Å; P118-Q123 PolarHBondContact O-NE2 3.03Å; V119-Q123 PolarHBondContact O-N 3.38Å; S120-Q123 PolarHBondContact O-N 2.69Å; Q123-L125 PolarHBondContact O-N 2.82Å; Q123-S126 WeakPolarHBondContact CA-OG 3.26Å; Q123-S126 PolarHBondContact O-N 3.32Å; Q123-S126 PolarHBondContact O-OG 2.95Å; Q123-H127 WeakPolarHBondContact O-CB 3.35Å; Q123-H127 PolarHBondContact O-N 3.44Å
124G84.7Confident84.1Confident56 Ų5678 Ų7858%0.57745%0.445SS*.Hα-helixtrans-66.1-19.4177.600000114.8L122 R128L122-G124 PolarHBondContact O-N 3.35Å; G124-R128 VanDerWaalsContact O-CB 3.32Å; G124-R128 WeakPolarHBondContact O-CB 3.42Å
125L84.6Confident84Confident66 Ų6679.7 Ų79.735%0.34645%0.454SS..Hα-helixtrans-96.2-44.1171.8-73.4172.6000111.3L122 Q123 H127 R128 S139 F142L122-L125 PolarHBondContact O-N 2.83Å; Q123-L125 PolarHBondContact O-N 2.82Å; L125-H127 VanDerWaalsContact C-N 3.34Å; L125-H127 PolarHBondContact O-N 2.97Å; L125-R128 WeakPolarHBondContact O-CB 3.17Å; L125-R128 PolarHBondContact O-N 3.49Å; L125-S139 PolarHBondContact O-OG 3.22Å; L125-F142 HydrophobicContact CB-CD2 4.35Å
126S85.6Confident84Confident0 Ų075.1 Ų75.10%042%0.424CS..Hα-helixtrans-63.8-38.5-179.466.50000112.4P118 L122 Q123 S139P118-S126 WeakPolarHBondContact CG-OG 3.41Å; L122-S126 PolarHBondContact O-N 3.24Å; L122-S126 PolarHBondContact O-OG 3.34Å; Q123-S126 WeakPolarHBondContact CA-OG 3.26Å; Q123-S126 PolarHBondContact O-N 3.32Å; Q123-S126 PolarHBondContact O-OG 2.95Å; S126-S139 WeakPolarHBondContact O-CB 3.14Å; S126-S139 PolarHBondContact O-N 2.62Å; S126-S139 PolarHBondContact O-OG 2.9Å
127H86Confident83.9Confident31 Ų3170.1 Ų70.114%0.14440%0.403CS..THydrogen-bonded Turntrans-103.311.8-178.9-153.7-84000112.9Q123 L125 N129 L130 G132 D134Q123-H127 WeakPolarHBondContact O-CB 3.35Å; Q123-H127 PolarHBondContact O-N 3.44Å; L125-H127 VanDerWaalsContact C-N 3.34Å; L125-H127 PolarHBondContact O-N 2.97Å; H127-N129 PolarHBondContact O-N 3.25Å; H127-L130 PolarHBondContact CE1-O 3.19Å; H127-L130 VanDerWaalsContact CE1-O 3.22Å; H127-L130 PolarHBondContact ND1-O 2.83Å; H127-L130 PolarHBondContact O-N 3.28Å; H127-G132 PolarHBondContact CE1-O 3.29Å; H127-G132 PolarHBondContact NE2-O 3.11Å; H127-D134 PolarHBondContact CD2-O 3.46Å; H127-D134 PolarHBondContact NE2-O 3.34Å
128R82Confident84.1Confident150 Ų15066.1 Ų66.157%0.56638%0.378SS*.THydrogen-bonded Turntrans-60124-178.1-167.9168.6170.4132.70.3110.4G124 L125 L130 S139 I141G124-R128 VanDerWaalsContact O-CB 3.32Å; G124-R128 WeakPolarHBondContact O-CB 3.42Å; L125-R128 WeakPolarHBondContact O-CB 3.17Å; L125-R128 PolarHBondContact O-N 3.49Å; R128-L130 PolarHBondContact O-N 3.47Å; R128-S139 WeakPolarHBondContact O-CB 3.4Å; R128-I141 HydrophobicContact CB-CD1 4.49Å; R128-I141 HydrophobicContact CG-CD1 4.3Å
129N79.8Confident84.3Confident98 Ų9866.1 Ų66.152%0.52438%0.378SS..THydrogen-bonded Turntrans60.620.1178.8-123.66.7000115.1D107 G108 H127D107-N129 WeakPolarHBondContact OD1-CB 3.02Å; D107-N129 PolarHBondContact OD1-ND2 3.43Å; D107-N129 PolarHBondContact OD2-ND2 3.3Å; G108-N129 WeakPolarHBondContact CA-O 3.18Å; G108-N129 PolarHBondContact N-O 2.91Å; H127-N129 PolarHBondContact O-N 3.25Å
130L83.1Confident84.5Confident18 Ų1861.7 Ų61.79%0.09435%0.351CS..  trans-92.8134.1169-63.9-178.9000109.5Q109 V110 H127 R128 D137 C138Q109-L130 WeakPolarHBondContact O-CD2 3.46Å; V110-L130 HydrophobicContact CG2-CD1 4.41Å; V110-L130 HydrophobicContact CG2-CD2 4.11Å; H127-L130 PolarHBondContact CE1-O 3.19Å; H127-L130 VanDerWaalsContact CE1-O 3.22Å; H127-L130 PolarHBondContact ND1-O 2.83Å; H127-L130 PolarHBondContact O-N 3.28Å; R128-L130 PolarHBondContact O-N 3.47Å; L130-D137 HydrophobicContact CD1-CB 3.88Å; L130-C138 VanDerWaalsContact CD1-C 3.43Å
131A76.4Confident84.7Confident90 Ų9057.9 Ų57.974%0.74432%0.322SS*.  trans-88.1119.6169.100000108.5
132G79.6Confident85Confident42 Ų4249.7 Ų49.743%0.43329%0.287SS..SBendtrans153.7157.7-179.200000112.2H127H127-G132 PolarHBondContact CE1-O 3.29Å; H127-G132 PolarHBondContact NE2-O 3.11Å
133D80.3Confident85.2Confident167 Ų16748.2 Ų48.289%0.89328%0.279SS*.SBendtrans-96.7-5.5172.8-61.5-42.4000111.7L135D133-L135 PolarHBondContact O-N 2.79Å; D133-L135 VanDerWaalsContact O-N 3.14Å
134D86Confident85.4Confident59 Ų5946.5 Ų46.532%0.31627%0.271SS..  trans-79.795.8179.6-170.7-6000110.6K113 H127 T136 D137K113-D134 IonicContact NZ-OD2 2.69Å; K113-D134 PolarHBondContact NZ-OD2 2.96Å; H127-D134 PolarHBondContact CD2-O 3.46Å; H127-D134 PolarHBondContact NE2-O 3.34Å; D134-T136 PolarHBondContact O-N 2.92Å; D134-T136 VanDerWaalsContact OD1-CB 3.29Å; D134-T136 WeakPolarHBondContact OD1-CB 3.46Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.5Å; D134-T136 PolarHBondContact OD1-N 3.28Å; D134-T136 PolarHBondContact OD1-OG1 2.81Å; D134-T136 PolarHBondContact OD2-OG1 2.91Å; D134-T136 VanDerWaalsContact OD2-OG1 3.13Å; D134-D137 WeakPolarHBondContact O-CB 3.49Å; D134-D137 PolarHBondContact O-N 3.41Å
135L84.1Confident85.6Confident66 Ų6646.7 Ų46.735%0.34626%0.257SS..THydrogen-bonded Turntrans-62.4-8.2177.2-64.1178.3000114.3T117 P118 D133 D137T117-L135 HydrophobicContact CG2-CB 3.74Å; T117-L135 HydrophobicContact CG2-CD1 3.96Å; P118-L135 WeakPolarHBondContact CD-O 3.47Å; D133-L135 PolarHBondContact O-N 2.79Å; D133-L135 VanDerWaalsContact O-N 3.14Å; L135-D137 VanDerWaalsContact C-N 3.29Å
136T87.9Confident85.8Confident31 Ų3147.3 Ų47.319%0.1926%0.26CS..THydrogen-bonded Turntrans-80.4-12.4172.372.30000112.8L114 D134L114-T136 PolarHBondContact N-O 3Å; D134-T136 PolarHBondContact O-N 2.92Å; D134-T136 VanDerWaalsContact OD1-CB 3.29Å; D134-T136 WeakPolarHBondContact OD1-CB 3.46Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.5Å; D134-T136 PolarHBondContact OD1-N 3.28Å; D134-T136 PolarHBondContact OD1-OG1 2.81Å; D134-T136 PolarHBondContact OD2-OG1 2.91Å; D134-T136 VanDerWaalsContact OD2-OG1 3.13Å
137D88.1Confident85.9Confident16 Ų1648 Ų489%0.08627%0.265CS..EExtended strand (participates in β ladder)trans-69.7132.5177.3-72.1-17.3000111.1V110 K113 L130 D134 L135V110-D137 HydrophobicContact CB-CB 4.49Å; V110-D137 HydrophobicContact CG1-CB 3.78Å; V110-D137 HydrophobicContact CG2-CB 3.89Å; K113-D137 WeakPolarHBondContact CE-OD1 3.18Å; K113-D137 IonicContact NZ-OD1 3.59Å; L130-D137 HydrophobicContact CD1-CB 3.88Å; D134-D137 WeakPolarHBondContact O-CB 3.49Å; D134-D137 PolarHBondContact O-N 3.41Å; L135-D137 VanDerWaalsContact C-N 3.29Å
138C88.7Confident86.1Confident1 Ų146.8 Ų46.81%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-105.5128.4-177.3-178.60000110.7V111 A112 L114 L130 F142V111-C138 VanDerWaalsContact CG2-O 3.27Å; V111-C138 WeakPolarHBondContact CG2-O 3.44Å; V111-C138 PolarHBondContact N-O 2.91Å; A112-C138 HydrophobicContact CB-CB 3.94Å; A112-C138 WeakPolarHBondContact O-CB 3.23Å; A112-C138 PolarHBondContact O-N 3.48Å; L114-C138 HydrophobicContact CD2-CB 4.49Å; L114-C138 HydrophobicContact CG-CB 4.18Å; L130-C138 VanDerWaalsContact CD1-C 3.43Å; C138-F142 VanDerWaalsContact SG-CD1 3.56Å
139S89.4Confident86.2Confident2 Ų243.7 Ų43.71%0.01425%0.253CS..  trans-77.4158.6172.875.70000111.5V111 L125 S126 R128 I141 F142 L143V111-S139 WeakPolarHBondContact CG2-O 3.25Å; L125-S139 PolarHBondContact O-OG 3.22Å; S126-S139 WeakPolarHBondContact O-CB 3.14Å; S126-S139 PolarHBondContact O-N 2.62Å; S126-S139 PolarHBondContact O-OG 2.9Å; R128-S139 WeakPolarHBondContact O-CB 3.4Å; S139-I141 VanDerWaalsContact C-N 3.3Å; S139-I141 PolarHBondContact O-N 3.31Å; S139-F142 PolarHBondContact O-N 3.5Å; S139-F142 PolarHBondContact OG-N 2.86Å; S139-L143 PolarHBondContact O-N 3.39Å
140F89.6Confident86.7Confident5 Ų541.7 Ų41.72%0.02225%0.247CC..Hα-helixtrans-51.2-49.3170.2166.9-101.5000112.4I8 L99 F102 F106 V111 F142 L143 Y144I8-F140 HydrophobicContact CB-CD2 4.41Å; I8-F140 HydrophobicContact CB-CE2 4.37Å; I8-F140 HydrophobicContact CD1-CD2 3.65Å; I8-F140 HydrophobicContact CD1-CE2 4.37Å; I8-F140 HydrophobicContact CG1-CD2 3.54Å; I8-F140 HydrophobicContact CG1-CE2 3.75Å; I8-F140 HydrophobicContact CG2-CD2 4.01Å; I8-F140 HydrophobicContact CG2-CE2 3.93Å; L99-F140 HydrophobicContact CD1-CE1 3.78Å; F102-F140 HydrophobicContact CB-CE1 3.6Å; F102-F140 HydrophobicContact CB-CE2 4.19Å; F102-F140 HydrophobicContact CB-CZ 3.33Å; F102-F140 HydrophobicContact CG-CZ 4.26Å; F106-F140 HydrophobicContact CB-CB 3.67Å; F106-F140 HydrophobicContact CB-CD2 4.04Å; F106-F140 HydrophobicContact CB-CG 3.84Å; F106-F140 AromaticContact CD2-CD2 3.53Å; F106-F140 HydrophobicContact CD2-CD2 3.53Å; F106-F140 AromaticContact CD2-CE2 3.73Å; F106-F140 HydrophobicContact CD2-CE2 3.73Å; F106-F140 HydrophobicContact CD2-CG 4.06Å; F106-F140 HydrophobicContact CD2-CZ 4.37Å; F106-F140 HydrophobicContact CE2-CD2 4.21Å; F106-F140 HydrophobicContact CE2-CE2 4.08Å; F106-F140 HydrophobicContact CG-CB 4.39Å; F106-F140 AromaticContact CG-CD2 3.88Å; F106-F140 HydrophobicContact CG-CD2 3.88Å; F106-F140 HydrophobicContact CG-CG 4.2Å; V111-F140 HydrophobicContact CG1-CB 4.26Å; F140-F142 VanDerWaalsContact C-N 3.3Å; F140-F142 PolarHBondContact O-N 3.5Å; F140-L143 PolarHBondContact O-N 2.89Å; F140-Y144 HydrophobicContact CZ-CD2 4.18Å; F140-Y144 HydrophobicContact CZ-CG 4.23Å; F140-Y144 WeakPolarHBondContact O-CB 3.32Å; F140-Y144 PolarHBondContact O-N 3.39Å
141I88.7Confident86.9Confident17 Ų1742.9 Ų42.99%0.08725%0.253CS..Hα-helixtrans-59.8-43.2-173.7-63.5169.4000110.5S103 R128 S139 Y144 I145S103-I141 WeakPolarHBondContact OG-CD1 3.44Å; R128-I141 HydrophobicContact CB-CD1 4.49Å; R128-I141 HydrophobicContact CG-CD1 4.3Å; S139-I141 VanDerWaalsContact C-N 3.3Å; S139-I141 PolarHBondContact O-N 3.31Å; I141-Y144 PolarHBondContact O-N 3.33Å; I141-I145 HydrophobicContact CG2-CD1 3.6Å; I141-I145 HydrophobicContact CG2-CG1 4.33Å; I141-I145 WeakPolarHBondContact O-CB 3.46Å; I141-I145 VanDerWaalsContact O-CG1 3.23Å; I141-I145 WeakPolarHBondContact O-CG1 3.48Å; I141-I145 PolarHBondContact O-N 3.29Å
142F89.1Confident87.2Confident18 Ų1840.8 Ų40.88%0.07923%0.226CC..Hα-helixtrans-67.3-49.9-177.9-175.9-102.3000112.1L114 L122 L125 C138 S139 F140 Y144 I145 I146L114-F142 HydrophobicContact CD1-CD1 4.49Å; L114-F142 HydrophobicContact CD1-CE1 3.89Å; L114-F142 HydrophobicContact CD2-CE1 4.09Å; L122-F142 HydrophobicContact CB-CE2 4.4Å; L125-F142 HydrophobicContact CB-CD2 4.35Å; C138-F142 VanDerWaalsContact SG-CD1 3.56Å; S139-F142 PolarHBondContact O-N 3.5Å; S139-F142 PolarHBondContact OG-N 2.86Å; F140-F142 VanDerWaalsContact C-N 3.3Å; F140-F142 PolarHBondContact O-N 3.5Å; F142-Y144 VanDerWaalsContact C-N 3.28Å; F142-Y144 PolarHBondContact O-N 3.29Å; F142-I145 PolarHBondContact O-N 3.41Å; F142-I146 HydrophobicContact CD1-CD1 3.9Å; F142-I146 HydrophobicContact CD2-CD1 4.21Å; F142-I146 HydrophobicContact CE1-CD1 3.38Å; F142-I146 HydrophobicContact CE2-CD1 3.7Å; F142-I146 HydrophobicContact CG-CD1 4.31Å; F142-I146 HydrophobicContact CZ-CD1 3.28Å; F142-I146 PolarHBondContact O-N 2.8Å
143L89.5Confident87.4Confident33 Ų3344 Ų4417%0.17323%0.229CC..Hα-helixtrans-60.6-42.2177.2-176.260.9000110.8I8 V111 S139 F140 S147I8-L143 HydrophobicContact CB-CD2 4.19Å; I8-L143 HydrophobicContact CD1-CD2 4.23Å; I8-L143 HydrophobicContact CG2-CB 4.29Å; I8-L143 HydrophobicContact CG2-CD2 3.98Å; I8-L143 HydrophobicContact CG2-CG 4.01Å; V111-L143 HydrophobicContact CG2-CB 4.15Å; V111-L143 HydrophobicContact CG2-CD2 3.92Å; S139-L143 PolarHBondContact O-N 3.39Å; F140-L143 PolarHBondContact O-N 2.89Å; L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-N 3.33Å; L143-S147 PolarHBondContact O-OG 2.96Å
144Y90.4Very high87.6Confident11 Ų1140.8 Ų40.84%0.04321%0.212CC..Hα-helixtrans-62.6-47177.3172.1-95.2000112.4I11 A12 T15 L99 F140 I141 F142 T148I11-Y144 HydrophobicContact CG2-CD2 4.5Å; I11-Y144 HydrophobicContact CG2-CE2 4.23Å; A12-Y144 HydrophobicContact CB-CD2 4.08Å; A12-Y144 HydrophobicContact CB-CE2 4.49Å; T15-Y144 HydrophobicContact CG2-CE2 4.13Å; T15-Y144 WeakPolarHBondContact CG2-OH 3.4Å; L99-Y144 HydrophobicContact CB-CE1 4.33Å; L99-Y144 HydrophobicContact CD1-CD1 3.5Å; L99-Y144 VanDerWaalsContact CD1-CD1 3.5Å; L99-Y144 HydrophobicContact CD1-CE1 3.6Å; L99-Y144 HydrophobicContact CD1-CG 4.23Å; L99-Y144 HydrophobicContact CD2-CD1 4.49Å; L99-Y144 HydrophobicContact CD2-CE1 4.23Å; L99-Y144 HydrophobicContact CG-CE1 4.26Å; F140-Y144 HydrophobicContact CZ-CD2 4.18Å; F140-Y144 HydrophobicContact CZ-CG 4.23Å; F140-Y144 WeakPolarHBondContact O-CB 3.32Å; F140-Y144 PolarHBondContact O-N 3.39Å; I141-Y144 PolarHBondContact O-N 3.33Å; F142-Y144 VanDerWaalsContact C-N 3.28Å; F142-Y144 PolarHBondContact O-N 3.29Å; Y144-T148 WeakPolarHBondContact O-CB 3.29Å; Y144-T148 PolarHBondContact O-N 3.23Å; Y144-T148 PolarHBondContact O-OG1 2.6Å
145I88.8Confident87.3Confident59 Ų5939.8 Ų39.830%0.30321%0.207SC..Hα-helixtrans-62.7-49.8-180-72.2166.8000110.1I141 F142 S147 T148 M149I141-I145 HydrophobicContact CG2-CD1 3.6Å; I141-I145 HydrophobicContact CG2-CG1 4.33Å; I141-I145 WeakPolarHBondContact O-CB 3.46Å; I141-I145 VanDerWaalsContact O-CG1 3.23Å; I141-I145 WeakPolarHBondContact O-CG1 3.48Å; I141-I145 PolarHBondContact O-N 3.29Å; F142-I145 PolarHBondContact O-N 3.41Å; I145-S147 PolarHBondContact O-N 3.4Å; I145-T148 PolarHBondContact O-N 3.13Å; I145-M149 HydrophobicContact CG2-CG 4.33Å; I145-M149 WeakPolarHBondContact O-CB 3.34Å; I145-M149 VanDerWaalsContact O-CG 3.22Å; I145-M149 WeakPolarHBondContact O-CG 3.21Å; I145-M149 PolarHBondContact O-N 2.95Å
146I88.6Confident87.1Confident79 Ų7938 Ų3841%0.40520%0.196SC..Hα-helixtrans-63.8-44.6-178.5-69.6178.6000110.6F142 M149 S150F142-I146 HydrophobicContact CD1-CD1 3.9Å; F142-I146 HydrophobicContact CD2-CD1 4.21Å; F142-I146 HydrophobicContact CE1-CD1 3.38Å; F142-I146 HydrophobicContact CE2-CD1 3.7Å; F142-I146 HydrophobicContact CG-CD1 4.31Å; F142-I146 HydrophobicContact CZ-CD1 3.28Å; F142-I146 PolarHBondContact O-N 2.8Å; I146-M149 PolarHBondContact O-N 2.85Å; I146-S150 VanDerWaalsContact O-CB 3.27Å; I146-S150 WeakPolarHBondContact O-CB 3.41Å; I146-S150 PolarHBondContact O-N 2.99Å; I146-S150 PolarHBondContact O-OG 2.79Å
147S88.7Confident86.8Confident15 Ų1543 Ų4311%0.10522%0.216CC..Hα-helixtrans-63.4-48.7178.8-59.30000110.8L143 I145 M149 S150 I151L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-N 3.33Å; L143-S147 PolarHBondContact O-OG 2.96Å; I145-S147 PolarHBondContact O-N 3.4Å; S147-M149 PolarHBondContact O-N 3.41Å; S147-S150 PolarHBondContact O-N 2.9Å; S147-I151 WeakPolarHBondContact O-CB 3.12Å; S147-I151 WeakPolarHBondContact O-CD1 3.5Å; S147-I151 WeakPolarHBondContact O-CG1 3.1Å; S147-I151 PolarHBondContact O-N 3.46Å
148T89Confident86.3Confident6 Ų650.8 Ų50.84%0.03725%0.249CC..Hα-helixtrans-62.4-41.9180-56.20000111.2A12 T15 A16 Y144 I145 R152A12-T148 WeakPolarHBondContact CB-OG1 3.09Å; T15-T148 HydrophobicContact CG2-CG2 4.39Å; A16-T148 HydrophobicContact CB-CG2 4.37Å; Y144-T148 WeakPolarHBondContact O-CB 3.29Å; Y144-T148 PolarHBondContact O-N 3.23Å; Y144-T148 PolarHBondContact O-OG1 2.6Å; I145-T148 PolarHBondContact O-N 3.13Å; T148-R152 WeakPolarHBondContact O-CB 3.24Å; T148-R152 PolarHBondContact O-N 3.46Å
149M85.5Confident85.7Confident84 Ų8454.4 Ų54.441%0.41427%0.268SS..Hα-helixtrans-66.7-44177.1-70.5-59.6133.400112.1I145 I146 S147 R152 Q153I145-M149 HydrophobicContact CG2-CG 4.33Å; I145-M149 WeakPolarHBondContact O-CB 3.34Å; I145-M149 VanDerWaalsContact O-CG 3.22Å; I145-M149 WeakPolarHBondContact O-CG 3.21Å; I145-M149 PolarHBondContact O-N 2.95Å; I146-M149 PolarHBondContact O-N 2.85Å; S147-M149 PolarHBondContact O-N 3.41Å; M149-R152 PolarHBondContact O-N 2.82Å; M149-Q153 WeakPolarHBondContact O-CB 3.36Å; M149-Q153 VanDerWaalsContact O-CG 3.29Å; M149-Q153 WeakPolarHBondContact O-CG 3.25Å; M149-Q153 PolarHBondContact O-N 2.97Å
150S89.2Confident84.9Confident56 Ų5656.7 Ų56.739%0.39229%0.292SS..Hα-helixtrans-61.7-49177.9-59.40000110.8I146 S147 N154I146-S150 VanDerWaalsContact O-CB 3.27Å; I146-S150 WeakPolarHBondContact O-CB 3.41Å; I146-S150 PolarHBondContact O-N 2.99Å; I146-S150 PolarHBondContact O-OG 2.79Å; S147-S150 PolarHBondContact O-N 2.9Å; S150-N154 WeakPolarHBondContact O-CB 3.06Å; S150-N154 PolarHBondContact O-N 3.42Å; S150-N154 PolarHBondContact O-ND2 3.04Å
151I87.4Confident84.1Confident43 Ų4358.6 Ų58.622%0.22130%0.3CS..Hα-helixtrans-65.6-47.4179.6-64.5160.8000110.3A12 T13 A16 S147 Q153 N154 L155A12-I151 HydrophobicContact CB-CD1 4.35Å; T13-I151 WeakPolarHBondContact OG1-CD1 3.23Å; A16-I151 HydrophobicContact CB-CB 4.14Å; A16-I151 HydrophobicContact CB-CG2 3.66Å; S147-I151 WeakPolarHBondContact O-CB 3.12Å; S147-I151 WeakPolarHBondContact O-CD1 3.5Å; S147-I151 WeakPolarHBondContact O-CG1 3.1Å; S147-I151 PolarHBondContact O-N 3.46Å; I151-Q153 PolarHBondContact O-N 3.18Å; I151-N154 PolarHBondContact O-N 3.11Å; I151-L155 VanDerWaalsContact O-CB 3.23Å; I151-L155 WeakPolarHBondContact O-CB 3.37Å; I151-L155 PolarHBondContact O-N 3.29Å
152R83.8Confident83.1Confident46 Ų4659.4 Ų59.417%0.17431%0.309CS..Hα-helixtrans-59.3-47.3-178.8-177.8179.9-78.6-179.6-2.8112A16 E20 T148 M149 N154 L155 Q156A16-R152 HydrophobicContact CB-CB 4.43Å; E20-R152 HydrophobicContact CG-CG 4.47Å; E20-R152 WeakPolarHBondContact OE1-CG 3.43Å; E20-R152 IonicContact OE1-NE 3.86Å; T148-R152 WeakPolarHBondContact O-CB 3.24Å; T148-R152 PolarHBondContact O-N 3.46Å; M149-R152 PolarHBondContact O-N 2.82Å; R152-N154 VanDerWaalsContact C-N 3.35Å; R152-N154 PolarHBondContact O-N 3.34Å; R152-L155 PolarHBondContact O-N 3.27Å; R152-Q156 HydrophobicContact CG-CG 4.47Å; R152-Q156 WeakPolarHBondContact O-CB 3.27Å; R152-Q156 VanDerWaalsContact O-CG 3.32Å; R152-Q156 WeakPolarHBondContact O-CG 3.18Å; R152-Q156 PolarHBondContact O-N 3.31Å
153Q83Confident81.9Confident109 Ų10961.7 Ų61.751%0.50933%0.326SS..Hα-helixtrans-64.1-40.5179.8-71.7179.7900112.1M149 I151 K157M149-Q153 WeakPolarHBondContact O-CB 3.36Å; M149-Q153 VanDerWaalsContact O-CG 3.29Å; M149-Q153 WeakPolarHBondContact O-CG 3.25Å; M149-Q153 PolarHBondContact O-N 2.97Å; I151-Q153 PolarHBondContact O-N 3.18Å; Q153-K157 VanDerWaalsContact O-CG 3.32Å; Q153-K157 WeakPolarHBondContact O-CG 3.48Å; Q153-K157 PolarHBondContact O-N 3.45Å; Q153-K157 VanDerWaalsContact O-N 3.15Å
154N84.6Confident80.5Confident100 Ų10062.6 Ų62.654%0.53534%0.335SS..Hα-helixtrans-67.3-41.2176.1-75.2-57.9000111.6S150 I151 R152 K157 F158S150-N154 WeakPolarHBondContact O-CB 3.06Å; S150-N154 PolarHBondContact O-N 3.42Å; S150-N154 PolarHBondContact O-ND2 3.04Å; I151-N154 PolarHBondContact O-N 3.11Å; R152-N154 VanDerWaalsContact C-N 3.35Å; R152-N154 PolarHBondContact O-N 3.34Å; N154-K157 PolarHBondContact O-N 3.47Å; N154-F158 WeakPolarHBondContact O-CB 3.32Å; N154-F158 PolarHBondContact O-N 3.45Å
155L80.6Confident79.2Confident39 Ų3973 Ų7320%0.20437%0.374CS..Hα-helixtrans-63.2-44.4176.9-173.660.2000111.7V17 E20 I151 R152 K157 F158 L159V17-L155 HydrophobicContact CG2-CD2 4.03Å; E20-L155 HydrophobicContact CB-CD2 4.04Å; E20-L155 HydrophobicContact CG-CD2 3.74Å; E20-L155 HydrophobicContact CG-CG 4.24Å; I151-L155 VanDerWaalsContact O-CB 3.23Å; I151-L155 WeakPolarHBondContact O-CB 3.37Å; I151-L155 PolarHBondContact O-N 3.29Å; R152-L155 PolarHBondContact O-N 3.27Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.78Å; L155-F158 PolarHBondContact O-N 2.83Å; L155-L159 HydrophobicContact CD1-CD1 3.89Å; L155-L159 HydrophobicContact CD1-CG 4.1Å; L155-L159 HydrophobicContact CG-CD1 3.85Å; L155-L159 HydrophobicContact CG-CG 4.4Å; L155-L159 WeakPolarHBondContact O-CB 3.14Å; L155-L159 VanDerWaalsContact O-CG 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.3Å
156Q79.4Confident77.9Confident27 Ų2771.6 Ų71.613%0.12637%0.371CS..Hα-helixtrans-62.3-37.8176.1-75.4177.7-0.300112.8E20 R152 G160 F161 A162E20-Q156 VanDerWaalsContact CD-CG 3.5Å; E20-Q156 HydrophobicContact CG-CG 4.45Å; E20-Q156 WeakPolarHBondContact OE1-CG 3.45Å; E20-Q156 PolarHBondContact OE1-NE2 3.05Å; E20-Q156 WeakPolarHBondContact OE2-CG 3.42Å; R152-Q156 HydrophobicContact CG-CG 4.47Å; R152-Q156 WeakPolarHBondContact O-CB 3.27Å; R152-Q156 VanDerWaalsContact O-CG 3.32Å; R152-Q156 WeakPolarHBondContact O-CG 3.18Å; R152-Q156 PolarHBondContact O-N 3.31Å; Q156-G160 PolarHBondContact O-N 3.01Å; Q156-F161 PolarHBondContact O-N 3.31Å; Q156-A162 PolarHBondContact O-N 3.1Å; Q156-A162 VanDerWaalsContact O-N 3.11Å
157K80.8Confident76.6Confident138 Ų13869.3 Ų69.360%0.636%0.359SS*.Hα-helixtrans-67-45.6174.8-73.1172.8-175174.70110.9Q153 N154 L155 G160 A162Q153-K157 VanDerWaalsContact O-CG 3.32Å; Q153-K157 WeakPolarHBondContact O-CG 3.48Å; Q153-K157 PolarHBondContact O-N 3.45Å; Q153-K157 VanDerWaalsContact O-N 3.15Å; N154-K157 PolarHBondContact O-N 3.47Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.78Å; K157-G160 PolarHBondContact O-N 2.87Å; K157-A162 HydrophobicContact CG-CB 4.28Å
158F77.2Confident75.2Confident178 Ų17871.3 Ų71.378%0.78137%0.373SS*.Hα-helixtrans-62.8-42.4178.9-176.1-100.6000112.4N154 L155 G160N154-F158 WeakPolarHBondContact O-CB 3.32Å; N154-F158 PolarHBondContact O-N 3.45Å; L155-F158 PolarHBondContact O-N 2.83Å; F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 PolarHBondContact O-N 3.43Å
159L76.9Confident73.8Confident78 Ų7876.5 Ų76.541%0.40840%0.395SS..THydrogen-bonded Turntrans-78.1-4.2178.4-63.8175.4000113.9L155 F161L155-L159 HydrophobicContact CD1-CD1 3.89Å; L155-L159 HydrophobicContact CD1-CG 4.1Å; L155-L159 HydrophobicContact CG-CD1 3.85Å; L155-L159 HydrophobicContact CG-CG 4.4Å; L155-L159 WeakPolarHBondContact O-CB 3.14Å; L155-L159 VanDerWaalsContact O-CG 3.31Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 3.3Å; L159-F161 HydrophobicContact CB-CD2 3.57Å; L159-F161 HydrophobicContact CB-CE2 3.7Å; L159-F161 HydrophobicContact CB-CG 4.21Å; L159-F161 HydrophobicContact CB-CZ 4.42Å; L159-F161 HydrophobicContact CD1-CD2 4Å; L159-F161 HydrophobicContact CD1-CE2 3.86Å; L159-F161 HydrophobicContact CG-CD2 4.45Å; L159-F161 HydrophobicContact CG-CE2 4.35Å; L159-F161 PolarHBondContact O-N 3.45Å
160G73.1Confident72.4Confident50 Ų5073.5 Ų73.552%0.51538%0.381SS..THydrogen-bonded Turntrans69.716.6-178.200000114.5Q156 K157 F158Q156-G160 PolarHBondContact O-N 3.01Å; K157-G160 PolarHBondContact O-N 2.87Å; F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 PolarHBondContact O-N 3.43Å
161F72.2Confident70.8Confident45 Ų4574.9 Ų74.920%0.19739%0.39CS..  trans-88.7-6.7176.4-61.7-35.9000113.6Y24 Y28 Q156 L159Y24-F161 HydrophobicContact CD2-CE1 4.14Å; Y24-F161 AromaticContact CD2-CE2 3.82Å; Y24-F161 HydrophobicContact CD2-CE2 3.82Å; Y24-F161 AromaticContact CD2-CZ 3.39Å; Y24-F161 HydrophobicContact CD2-CZ 3.39Å; Y24-F161 HydrophobicContact CE2-CE1 4.22Å; Y24-F161 HydrophobicContact CE2-CE2 4.46Å; Y24-F161 AromaticContact CE2-CZ 3.63Å; Y24-F161 HydrophobicContact CE2-CZ 3.63Å; Y28-F161 HydrophobicContact CD2-CD1 4.14Å; Y28-F161 HydrophobicContact CD2-CD2 4.03Å; Y28-F161 HydrophobicContact CD2-CE1 4.29Å; Y28-F161 HydrophobicContact CD2-CE2 4.17Å; Y28-F161 HydrophobicContact CD2-CG 4.03Å; Y28-F161 HydrophobicContact CD2-CZ 4.32Å; Y28-F161 HydrophobicContact CE2-CB 3.84Å; Y28-F161 HydrophobicContact CE2-CD1 4.12Å; Y28-F161 AromaticContact CE2-CD2 3.69Å; Y28-F161 HydrophobicContact CE2-CD2 3.69Å; Y28-F161 HydrophobicContact CE2-CE2 4.28Å; Y28-F161 AromaticContact CE2-CG 3.62Å; Y28-F161 HydrophobicContact CE2-CG 3.62Å; Q156-F161 PolarHBondContact O-N 3.31Å; L159-F161 HydrophobicContact CB-CD2 3.57Å; L159-F161 HydrophobicContact CB-CE2 3.7Å; L159-F161 HydrophobicContact CB-CG 4.21Å; L159-F161 HydrophobicContact CB-CZ 4.42Å; L159-F161 HydrophobicContact CD1-CD2 4Å; L159-F161 HydrophobicContact CD1-CE2 3.86Å; L159-F161 HydrophobicContact CG-CD2 4.45Å; L159-F161 HydrophobicContact CG-CE2 4.35Å; L159-F161 PolarHBondContact O-N 3.45Å
162A67.1Low69.2Low33 Ų3378.7 Ų78.727%0.27341%0.407SS..SBendtrans-55143.5170.100000110.5Q156 K157 S164Q156-A162 PolarHBondContact O-N 3.1Å; Q156-A162 VanDerWaalsContact O-N 3.11Å; K157-A162 HydrophobicContact CG-CB 4.28Å; A162-S164 PolarHBondContact O-N 3.4Å
163P63.9Low67.8Low67 Ų6779.3 Ų79.344%0.43541%0.414SS..PPolyproline II helixtrans-51.3131.7173.2-21.131.2000109.7M167P163-M167 HydrophobicContact CB-CB 4.27Å; P163-M167 HydrophobicContact CB-CE 4.17Å; P163-M167 HydrophobicContact CB-SD 4.23Å
164S60.5Low66.4Low52 Ų5275.2 Ų75.236%0.36440%0.4SS..PPolyproline II helixtrans-55.9144.2175.41740000109.5A162 A166 M167 S168A162-S164 PolarHBondContact O-N 3.4Å; S164-A166 PolarHBondContact O-N 2.83Å; S164-M167 WeakPolarHBondContact O-CA 3.4Å; S164-M167 VanDerWaalsContact O-CB 3.29Å; S164-M167 WeakPolarHBondContact O-CB 3.35Å; S164-M167 PolarHBondContact O-N 3.38Å; S164-S168 PolarHBondContact O-N 2.99Å
165R64Low64.8Low229 Ų22976 Ų7686%0.86440%0.402SS*.Hα-helixtrans-49-34.7-179.9-70.1-177177.3-175.9-0.9112.4M167 S168 K169R165-M167 VanDerWaalsContact C-N 3.31Å; R165-M167 PolarHBondContact O-N 3.46Å; R165-S168 PolarHBondContact O-N 3.3Å; R165-K169 WeakPolarHBondContact O-CB 3.42Å; R165-K169 PolarHBondContact O-N 3.21Å
166A61.4Low63.2Low29 Ų2979.2 Ų79.224%0.2442%0.42CS..Hα-helixtrans-62.3-36.9177.600000112.6S44 S164 Q170S44-A166 WeakPolarHBondContact OG-CB 3.3Å; S164-A166 PolarHBondContact O-N 2.83Å; A166-Q170 PolarHBondContact O-N 2.76Å
167M59.9Low62Low31 Ų3180.5 Ų80.515%0.15343%0.432CS..Hα-helixtrans-68.1-44.8173.9-61.3177.453.700111.8L40 L80 P163 S164 R165 K169 Q170 S171L40-M167 HydrophobicContact CD2-CE 3.67Å; L40-M167 HydrophobicContact CD2-CG 3.53Å; L40-M167 HydrophobicContact CD2-SD 3.53Å; L40-M167 VanDerWaalsContact CD2-SD 3.53Å; L80-M167 HydrophobicContact CD2-CE 4.25Å; P163-M167 HydrophobicContact CB-CB 4.27Å; P163-M167 HydrophobicContact CB-CE 4.17Å; P163-M167 HydrophobicContact CB-SD 4.23Å; S164-M167 WeakPolarHBondContact O-CA 3.4Å; S164-M167 VanDerWaalsContact O-CB 3.29Å; S164-M167 WeakPolarHBondContact O-CB 3.35Å; S164-M167 PolarHBondContact O-N 3.38Å; R165-M167 VanDerWaalsContact C-N 3.31Å; R165-M167 PolarHBondContact O-N 3.46Å; M167-K169 VanDerWaalsContact C-N 3.34Å; M167-K169 PolarHBondContact O-N 2.96Å; M167-Q170 PolarHBondContact O-N 2.87Å; M167-Q170 VanDerWaalsContact O-N 3.14Å; M167-S171 PolarHBondContact O-N 3.24Å
168S60.7Low60.6Low57 Ų5781.8 Ų81.840%0.39944%0.442SS..Hα-helixtrans-64.6-38.3179.8-56.10000112.3S164 R165 Q170 S171 Q172S164-S168 PolarHBondContact O-N 2.99Å; R165-S168 PolarHBondContact O-N 3.3Å; S168-Q170 PolarHBondContact O-N 3.37Å; S168-S171 PolarHBondContact O-N 2.69Å; S168-S171 PolarHBondContact O-OG 3.45Å; S168-Q172 PolarHBondContact O-N 3.14Å
169K59.4Low59.4Low115 Ų11581.8 Ų81.850%0.544%0.441SS..Hα-helixtrans-66.1-29.4175.4-160.2174.3-179.7-173.30111.4E48 R165 M167 Q172 L173E48-K169 IonicContact OE1-NZ 2.64Å; R165-K169 WeakPolarHBondContact O-CB 3.42Å; R165-K169 PolarHBondContact O-N 3.21Å; M167-K169 VanDerWaalsContact C-N 3.34Å; M167-K169 PolarHBondContact O-N 2.96Å; K169-Q172 WeakPolarHBondContact O-CB 3.41Å; K169-Q172 PolarHBondContact O-N 3.45Å; K169-L173 PolarHBondContact O-N 3.47Å
170Q56.1Low58.1Low22 Ų2281.5 Ų81.510%0.10345%0.446CS..Hα-helixtrans-75-35.8176.7-174.9165.4-15.600114A166 M167 S168 Q172 L173 G174A166-Q170 PolarHBondContact O-N 2.76Å; M167-Q170 PolarHBondContact O-N 2.87Å; M167-Q170 VanDerWaalsContact O-N 3.14Å; S168-Q170 PolarHBondContact O-N 3.37Å; Q170-Q172 PolarHBondContact O-N 3.15Å; Q170-L173 PolarHBondContact O-N 3.02Å; Q170-L173 VanDerWaalsContact O-N 3.09Å; Q170-G174 PolarHBondContact O-N 3.2Å
171S55.9Low56.8Low85 Ų8584.3 Ų84.359%0.59446%0.455SS*.Hα-helixtrans-56.1-34.9169.434.30000111.4M167 S168M167-S171 PolarHBondContact O-N 3.24Å; S168-S171 PolarHBondContact O-N 2.69Å; S168-S171 PolarHBondContact O-OG 3.45Å
172Q52Low55.9Low122 Ų12288 Ų8857%0.5748%0.484SS*.Hα-helixtrans-72.9-42.7172.3-69.3-179.5-39.800112.6S168 K169 Q170 G174 M175 N176S168-Q172 PolarHBondContact O-N 3.14Å; K169-Q172 WeakPolarHBondContact O-CB 3.41Å; K169-Q172 PolarHBondContact O-N 3.45Å; Q170-Q172 PolarHBondContact O-N 3.15Å; Q172-G174 VanDerWaalsContact C-N 3.35Å; Q172-G174 PolarHBondContact O-N 3.03Å; Q172-M175 WeakPolarHBondContact O-CA 3.17Å; Q172-M175 WeakPolarHBondContact O-CB 3.16Å; Q172-M175 PolarHBondContact O-N 3.13Å; Q172-N176 PolarHBondContact O-N 3.36Å; Q172-N176 PolarHBondContact O-OD1 3.28Å
173L55Low55.3Low60 Ų6092.4 Ų92.431%0.31450%0.503SS..Hα-helixtrans-64.1-36.8-179.1-118.5152.1000113K169 Q170 M175 N176 S177K169-L173 PolarHBondContact O-N 3.47Å; Q170-L173 PolarHBondContact O-N 3.02Å; Q170-L173 VanDerWaalsContact O-N 3.09Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 3.39Å; L173-N176 PolarHBondContact O-N 2.9Å; L173-S177 PolarHBondContact O-N 3.49Å; L173-S177 PolarHBondContact O-OG 3.33Å
174G53.6Low54.5Low22 Ų2294.4 Ų94.423%0.22752%0.519CS..Hα-helixtrans-61-37.4171.100000112.5Q170 Q172 S177 M178Q170-G174 PolarHBondContact O-N 3.2Å; Q172-G174 VanDerWaalsContact C-N 3.35Å; Q172-G174 PolarHBondContact O-N 3.03Å; G174-S177 PolarHBondContact O-OG 3.34Å; G174-M178 PolarHBondContact O-N 3.33Å
175M50.5Low54Low118 Ų118102.8 Ų102.858%0.58154%0.544SS*.Hα-helixtrans-71.9-40.9176.3-155.9159.77500111.7Q172 L173 S177 M178 F179Q172-M175 WeakPolarHBondContact O-CA 3.17Å; Q172-M175 WeakPolarHBondContact O-CB 3.16Å; Q172-M175 PolarHBondContact O-N 3.13Å; L173-M175 VanDerWaalsContact C-N 3.28Å; L173-M175 PolarHBondContact O-N 3.39Å; M175-S177 VanDerWaalsContact C-N 3.3Å; M175-S177 PolarHBondContact O-N 3.05Å; M175-M178 WeakPolarHBondContact O-CB 3.18Å; M175-M178 PolarHBondContact O-N 3.14Å; M175-F179 PolarHBondContact O-N 3.25Å; M175-F179 VanDerWaalsContact O-N 3.09Å
176N48.5Very low52.8Low106 Ų106106.9 Ų106.957%0.56756%0.559SS**Hα-helixtrans-62.2-37.3174.2-75.119.2000112.1Q172 L173 M178 F179 S180Q172-N176 PolarHBondContact O-N 3.36Å; Q172-N176 PolarHBondContact O-OD1 3.28Å; L173-N176 PolarHBondContact O-N 2.9Å; N176-M178 VanDerWaalsContact C-N 3.27Å; N176-M178 PolarHBondContact O-N 3.23Å; N176-F179 PolarHBondContact O-N 3.48Å; N176-S180 PolarHBondContact O-N 3.22Å; N176-S180 PolarHBondContact O-OG 3.18Å
177S54Low52.4Low54 Ų54110.8 Ų110.838%0.37858%0.575SS.*Hα-helixtrans-67.6-26.8174.865.60000113.3L173 G174 M175L173-S177 PolarHBondContact O-N 3.49Å; L173-S177 PolarHBondContact O-OG 3.33Å; G174-S177 PolarHBondContact O-OG 3.34Å; M175-S177 VanDerWaalsContact C-N 3.3Å; M175-S177 PolarHBondContact O-N 3.05Å
178M50.4Low52Low165 Ų165114.9 Ų114.981%0.81360%0.597SS**Hα-helixtrans-79.4-29.6178.1-160173.7-160.300112.2G174 M175 N176G174-M178 PolarHBondContact O-N 3.33Å; M175-M178 WeakPolarHBondContact O-CB 3.18Å; M175-M178 PolarHBondContact O-N 3.14Å; N176-M178 VanDerWaalsContact C-N 3.27Å; N176-M178 PolarHBondContact O-N 3.23Å
179F53.1Low51.5Low177 Ų177118.2 Ų118.278%0.77661%0.608SS**Hα-helixtrans-93.8-1.7175.1-92.4-86.3000114.1M175 N176 P181M175-F179 PolarHBondContact O-N 3.25Å; M175-F179 VanDerWaalsContact O-N 3.09Å; N176-F179 PolarHBondContact O-N 3.48Å; F179-P181 VanDerWaalsContact O-CD 3.3Å; F179-P181 WeakPolarHBondContact O-CD 3.48Å
180S48.3Very low51.1Low73 Ų73118.4 Ų118.451%0.5162%0.615SS.*SBendtrans-69.3117.2172.2-62.40000107.5N176N176-S180 PolarHBondContact O-N 3.22Å; N176-S180 PolarHBondContact O-OG 3.18Å
181P46.1Very low50.7Low109 Ų109124.4 Ų124.471%0.70865%0.647SS**PPolyproline II helixtrans-56.713717621.8-29.7000108.3F179 D183F179-P181 VanDerWaalsContact O-CD 3.3Å; F179-P181 WeakPolarHBondContact O-CD 3.48Å; P181-D183 PolarHBondContact O-N 3.17Å; P181-D183 VanDerWaalsContact O-N 3.08Å
182P53.6Low50.4Low121 Ų121127 Ų12779%0.78665%0.65SS**PPolyproline II helixtrans-57.6122.417922.2-29.1000107.6S184P182-S184 PolarHBondContact O-N 2.96Å
183D54.9Low50.3Low126 Ų126127.4 Ų127.467%0.67466%0.656SS**  trans-42.1104.8177.2-78.5-31.2000107.5K63 P181 Y185K63-D183 IonicContact NZ-OD2 2.88Å; K63-D183 PolarHBondContact NZ-OD2 2.68Å; P181-D183 PolarHBondContact O-N 3.17Å; P181-D183 VanDerWaalsContact O-N 3.08Å; D183-Y185 PolarHBondContact O-N 3.01Å
184S47.6Very low49.9Very low110 Ų110132.5 Ų132.577%0.76968%0.682SS**  trans-66.8110.8-177.9410000106.6P182 R186P182-S184 PolarHBondContact O-N 2.96Å; S184-R186 PolarHBondContact O-N 2.53Å
185Y48.3Very low49.6Very low227 Ų227141.8 Ų141.889%0.8972%0.72SS**  trans-45.9110.9168.2-101.1-102000108.7D183D183-Y185 PolarHBondContact O-N 3.01Å
186R40.1Very low49.5Very low315 Ų315143.9 Ų143.9100%1.18973%0.733SS**  trans-115.30151.2-88.8-171.4174.5177.9-0.7107.3S184S184-R186 PolarHBondContact O-N 2.53Å

Retrieved 186 of 186 residues in 259.1 ms (Link to these results)

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