A0A077ZBI4_TRITR Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession A0A077ZBI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M41.8Very low79.7Confident240 Ų24088.4 Ų88.4100%1.18245%0.454SS*.  099.80-167.2177.6-11900107A3M1-A3 PolarHBondContact O-N 3.38Å
2H58.6Low81.1Confident199 Ų19986.4 Ų86.492%0.92145%0.454SS*.  trans-75104.9177.6-65.7-64000107.3Y4H2-Y4 PolarHBondContact O-N 3.01Å
3A60.1Low82.4Confident89 Ų8984.8 Ų84.874%0.73645%0.446SS*.  trans-58.1133.3177.100000109.1M1 D5M1-A3 PolarHBondContact O-N 3.38Å; A3-D5 PolarHBondContact O-N 3.27Å
4Y66.9Low83.5Confident173 Ų17378.8 Ų78.868%0.67841%0.414SS*.  trans-48123.2171.4178.6-95.9000109.4H2 D9H2-Y4 PolarHBondContact O-N 3.01Å; Y4-D9 PolarHBondContact OH-OD1 2.94Å; Y4-D9 PolarHBondContact OH-OD2 3.15Å
5D82.1Confident84.4Confident38 Ų3874.5 Ų74.520%0.20339%0.391CS..  trans-100.7112.6177.7-163.5-21.3000109.1A3 R7 S8 Y69A3-D5 PolarHBondContact O-N 3.27Å; D5-R7 VanDerWaalsContact CG-NE 3.28Å; D5-R7 PolarHBondContact O-N 3.17Å; D5-R7 VanDerWaalsContact OD1-CB 3.31Å; D5-R7 WeakPolarHBondContact OD1-CB 3.3Å; D5-R7 VanDerWaalsContact OD1-CG 3.31Å; D5-R7 WeakPolarHBondContact OD1-CG 3.4Å; D5-R7 IonicContact OD1-CZ 3.06Å; D5-R7 PolarHBondContact OD1-N 2.91Å; D5-R7 IonicContact OD1-NE 2.69Å; D5-R7 PolarHBondContact OD1-NE 3.48Å; D5-R7 IonicContact OD1-NH2 3.14Å; D5-R7 IonicContact OD2-CZ 2.76Å; D5-R7 IonicContact OD2-NE 3.93Å; D5-R7 PolarHBondContact OD2-NE 3.03Å; D5-R7 IonicContact OD2-NH2 3.4Å; D5-R7 PolarHBondContact OD2-NH2 3.19Å; D5-S8 WeakPolarHBondContact O-CB 3.43Å; D5-S8 PolarHBondContact O-N 3.27Å; D5-S8 PolarHBondContact O-OG 2.94Å; D5-Y69 WeakPolarHBondContact OD2-CD2 3.44Å; D5-Y69 VanDerWaalsContact OD2-CE2 3.29Å; D5-Y69 WeakPolarHBondContact OD2-CE2 3.48Å
6V90.1Very high85.3Confident37 Ų3774.3 Ų74.322%0.22439%0.394CS..THydrogen-bonded Turntrans-51.1-21.7174.770.30000113.1S8 D9 V10 K74 Y75V6-S8 PolarHBondContact O-N 3.21Å; V6-D9 WeakPolarHBondContact O-CB 3.1Å; V6-D9 PolarHBondContact O-N 3.02Å; V6-V10 PolarHBondContact O-N 2.97Å; V6-K74 HydrophobicContact CG1-CG 4.22Å; V6-Y75 HydrophobicContact CB-CE2 4.49Å; V6-Y75 HydrophobicContact CG2-CD2 3.53Å; V6-Y75 HydrophobicContact CG2-CE1 4.34Å; V6-Y75 HydrophobicContact CG2-CE2 2.99Å; V6-Y75 HydrophobicContact CG2-CG 4.4Å; V6-Y75 VanDerWaalsContact CG2-CZ 3.47Å
7R94.1Very high86Confident42 Ų4272.1 Ų72.116%0.15838%0.382CS..Hα-helixtrans-65.6-22.5177.9-68.3177.5-69.8-168.2-5112.6D5 D9 V10 W11 Y69 R70 R72 K74D5-R7 VanDerWaalsContact CG-NE 3.28Å; D5-R7 PolarHBondContact O-N 3.17Å; D5-R7 VanDerWaalsContact OD1-CB 3.31Å; D5-R7 WeakPolarHBondContact OD1-CB 3.3Å; D5-R7 VanDerWaalsContact OD1-CG 3.31Å; D5-R7 WeakPolarHBondContact OD1-CG 3.4Å; D5-R7 IonicContact OD1-CZ 3.06Å; D5-R7 PolarHBondContact OD1-N 2.91Å; D5-R7 IonicContact OD1-NE 2.69Å; D5-R7 PolarHBondContact OD1-NE 3.48Å; D5-R7 IonicContact OD1-NH2 3.14Å; D5-R7 IonicContact OD2-CZ 2.76Å; D5-R7 IonicContact OD2-NE 3.93Å; D5-R7 PolarHBondContact OD2-NE 3.03Å; D5-R7 IonicContact OD2-NH2 3.4Å; D5-R7 PolarHBondContact OD2-NH2 3.19Å; R7-D9 VanDerWaalsContact C-N 3.3Å; R7-D9 PolarHBondContact O-N 3.4Å; R7-V10 WeakPolarHBondContact O-CB 3.08Å; R7-V10 PolarHBondContact O-N 3.46Å; R7-W11 PolarHBondContact O-N 3.42Å; R7-W11 VanDerWaalsContact O-N 3.14Å; R7-Y69 WeakPolarHBondContact CD-O 3.42Å; R7-Y69 PolarHBondContact NE-O 3.48Å; R7-Y69 PolarHBondContact NH1-O 3.24Å; R7-R70 PolarHBondContact NH1-O 3.4Å; R7-R72 HydrophobicContact CB-CB 4.45Å; R7-R72 WeakPolarHBondContact CD-O 3.41Å; R7-R72 HydrophobicContact CG-CB 4.5Å; R7-R72 VanDerWaalsContact O-CD 3.23Å; R7-R72 WeakPolarHBondContact O-CD 3.41Å; R7-R72 PolarHBondContact O-NH1 3.28Å; R7-K74 HydrophobicContact CG-CG 4.33Å
8S93.7Very high86.6Confident70 Ų7068.1 Ų68.149%0.4936%0.361SS..Hα-helixtrans-60.1-41.4169.8-62.70000111.6D5 V6 V10 W11 S12D5-S8 WeakPolarHBondContact O-CB 3.43Å; D5-S8 PolarHBondContact O-N 3.27Å; D5-S8 PolarHBondContact O-OG 2.94Å; V6-S8 PolarHBondContact O-N 3.21Å; S8-V10 VanDerWaalsContact C-N 3.34Å; S8-V10 PolarHBondContact O-N 2.93Å; S8-W11 WeakPolarHBondContact O-CB 3.24Å; S8-W11 PolarHBondContact O-N 3.02Å; S8-S12 PolarHBondContact O-N 3.28Å; S8-S12 PolarHBondContact O-OG 3.47Å
9D95.4Very high87.1Confident55 Ų5568.4 Ų68.429%0.29436%0.361SS..Hα-helixtrans-67.3-37.3176.7-59.6-28.6000111.5Y4 V6 R7 W11 S12 L13 Y75Y4-D9 PolarHBondContact OH-OD1 2.94Å; Y4-D9 PolarHBondContact OH-OD2 3.15Å; V6-D9 WeakPolarHBondContact O-CB 3.1Å; V6-D9 PolarHBondContact O-N 3.02Å; R7-D9 VanDerWaalsContact C-N 3.3Å; R7-D9 PolarHBondContact O-N 3.4Å; D9-W11 VanDerWaalsContact C-N 3.25Å; D9-W11 PolarHBondContact O-N 3.11Å; D9-S12 PolarHBondContact O-N 3.33Å; D9-S12 VanDerWaalsContact O-N 3.14Å; D9-L13 PolarHBondContact O-N 2.88Å; D9-Y75 WeakPolarHBondContact CB-OH 3.27Å
10V97.2Very high87.4Confident0 Ų070.6 Ų70.60%038%0.376CS..Hα-helixtrans-59.5-36.9174.8177.90000111.6V6 R7 S8 G14 C64 R72 Y75 L78V6-V10 PolarHBondContact O-N 2.97Å; R7-V10 WeakPolarHBondContact O-CB 3.08Å; R7-V10 PolarHBondContact O-N 3.46Å; S8-V10 VanDerWaalsContact C-N 3.34Å; S8-V10 PolarHBondContact O-N 2.93Å; V10-G14 PolarHBondContact O-N 3.02Å; V10-G14 VanDerWaalsContact O-N 3.08Å; V10-C64 HydrophobicContact CG1-CB 4.03Å; V10-C64 WeakPolarHBondContact O-CB 3.2Å; V10-R72 HydrophobicContact CB-CG 4.19Å; V10-R72 HydrophobicContact CG1-CG 3.68Å; V10-Y75 HydrophobicContact CG2-CD1 3.91Å; V10-Y75 HydrophobicContact CG2-CE1 3.58Å; V10-L78 HydrophobicContact CB-CD1 4.36Å; V10-L78 HydrophobicContact CG1-CD1 3.51Å; V10-L78 HydrophobicContact CG2-CD1 3.88Å
11W96.7Very high87.7Confident29 Ų2968.5 Ų68.511%0.1137%0.369CS..Hα-helixtrans-64.6-49173.3174.2-88.3000111.7R7 S8 D9 L13 G14 I15 Y27 V40 P45 L65 K67 R72R7-W11 PolarHBondContact O-N 3.42Å; R7-W11 VanDerWaalsContact O-N 3.14Å; S8-W11 WeakPolarHBondContact O-CB 3.24Å; S8-W11 PolarHBondContact O-N 3.02Å; D9-W11 VanDerWaalsContact C-N 3.25Å; D9-W11 PolarHBondContact O-N 3.11Å; W11-L13 PolarHBondContact O-N 3.06Å; W11-G14 WeakPolarHBondContact O-CA 3.49Å; W11-G14 PolarHBondContact O-N 2.95Å; W11-I15 HydrophobicContact CZ2-CD1 4.34Å; W11-I15 PolarHBondContact O-N 3Å; W11-Y27 VanDerWaalsContact CZ2-OH 3.26Å; W11-Y27 WeakPolarHBondContact CZ2-OH 3.38Å; W11-V40 HydrophobicContact CZ2-CG1 4.01Å; W11-P45 HydrophobicContact CH2-CB 4.02Å; W11-P45 HydrophobicContact CZ3-CB 4.26Å; W11-L65 HydrophobicContact CD2-CD2 3.85Å; W11-L65 HydrophobicContact CE3-CB 4.39Å; W11-L65 HydrophobicContact CE3-CD2 3.75Å; W11-L65 HydrophobicContact CG-CD2 4.39Å; W11-L65 HydrophobicContact CZ3-CB 4.22Å; W11-L65 HydrophobicContact CZ3-CD2 4.12Å; W11-L65 WeakPolarHBondContact CZ3-O 3.41Å; W11-K67 HydrophobicContact CH2-CD 3.74Å; W11-K67 HydrophobicContact CZ3-CD 4.06Å; W11-R72 VanDerWaalsContact CB-NH1 3.34Å
12S96.6Very high90.1Very high65 Ų6560.2 Ų60.246%0.45533%0.329SS..Hα-helixtrans-58.2-39.5179.2-58.30000111.2S8 D9 G14 I15 T16S8-S12 PolarHBondContact O-N 3.28Å; S8-S12 PolarHBondContact O-OG 3.47Å; D9-S12 PolarHBondContact O-N 3.33Å; D9-S12 VanDerWaalsContact O-N 3.14Å; S12-G14 PolarHBondContact O-N 3.2Å; S12-I15 PolarHBondContact O-N 3.43Å; S12-T16 PolarHBondContact O-N 2.88Å; S12-T16 PolarHBondContact O-OG1 3.4Å; S12-T16 VanDerWaalsContact O-OG1 3.13Å
13L97.5Very high91.6Very high66 Ų6653.5 Ų53.535%0.34631%0.313SS..Hα-helixtrans-57.2-47.7170.4174.163.9000111.8D9 W11 I15 T16 L17 F60D9-L13 PolarHBondContact O-N 2.88Å; W11-L13 PolarHBondContact O-N 3.06Å; L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 3.41Å; L13-T16 PolarHBondContact O-N 3.24Å; L13-L17 HydrophobicContact CD1-CD1 4.1Å; L13-L17 HydrophobicContact CD1-CG 4.11Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 HydrophobicContact CG-CG 4.46Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.37Å; L13-F60 HydrophobicContact CD2-CE1 4.3Å; L13-F60 HydrophobicContact CD2-CZ 4.45Å
14G97.9Very high93.1Very high0 Ų054.8 Ų54.80%031%0.308CS..Hα-helixtrans-58-41.9176.300000112.7V10 W11 S12 L17 V18V10-G14 PolarHBondContact O-N 3.02Å; V10-G14 VanDerWaalsContact O-N 3.08Å; W11-G14 WeakPolarHBondContact O-CA 3.49Å; W11-G14 PolarHBondContact O-N 2.95Å; S12-G14 PolarHBondContact O-N 3.2Å; G14-L17 PolarHBondContact O-N 3.25Å; G14-V18 WeakPolarHBondContact O-CG2 3.01Å; G14-V18 PolarHBondContact O-N 3.09Å
15I97.8Very high94.4Very high14 Ų1450.1 Ų50.17%0.07229%0.292CS..Hα-helixtrans-63.8-47.8176.4-62.6-58.1000110.9W11 S12 L13 L17 V18 E19 P26 Y27 P46 L65W11-I15 HydrophobicContact CZ2-CD1 4.34Å; W11-I15 PolarHBondContact O-N 3Å; S12-I15 PolarHBondContact O-N 3.43Å; L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 3.41Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.49Å; I15-V18 PolarHBondContact O-N 3.14Å; I15-E19 PolarHBondContact O-N 2.76Å; I15-P26 HydrophobicContact CD1-CG 4.42Å; I15-P26 HydrophobicContact CG2-CG 4.05Å; I15-Y27 HydrophobicContact CD1-CE2 3.6Å; I15-Y27 HydrophobicContact CG1-CE2 4.4Å; I15-P46 HydrophobicContact CD1-CG 3.75Å; I15-L65 HydrophobicContact CD1-CD2 3.71Å; I15-L65 HydrophobicContact CG1-CD2 4.06Å
16T97.7Very high94.9Very high72 Ų7249.9 Ų49.944%0.44229%0.293SS..Hα-helixtrans-59.4-41.9177.1-60.30000111.7S12 L13 V18 E19 V20S12-T16 PolarHBondContact O-N 2.88Å; S12-T16 PolarHBondContact O-OG1 3.4Å; S12-T16 VanDerWaalsContact O-OG1 3.13Å; L13-T16 PolarHBondContact O-N 3.24Å; T16-V18 PolarHBondContact O-N 3.24Å; T16-E19 PolarHBondContact O-N 2.95Å; T16-V20 HydrophobicContact CG2-CG2 4.29Å; T16-V20 WeakPolarHBondContact O-CB 3.49Å; T16-V20 VanDerWaalsContact O-CG2 3.28Å; T16-V20 WeakPolarHBondContact O-CG2 3.31Å; T16-V20 PolarHBondContact O-N 3.06Å
17L97.3Very high95Very high36 Ų3648.9 Ų48.919%0.18829%0.285CS..Hα-helixtrans-65.6-38.7178.2-71.7174.5000112.4L13 G14 I15 A21 F57 F60 V61L13-L17 HydrophobicContact CD1-CD1 4.1Å; L13-L17 HydrophobicContact CD1-CG 4.11Å; L13-L17 HydrophobicContact CG-CD1 4.06Å; L13-L17 HydrophobicContact CG-CG 4.46Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.37Å; G14-L17 PolarHBondContact O-N 3.25Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.49Å; L17-A21 VanDerWaalsContact O-CB 3.23Å; L17-A21 WeakPolarHBondContact O-CB 3.47Å; L17-A21 PolarHBondContact O-N 3.28Å; L17-F57 HydrophobicContact CB-CE2 4.07Å; L17-F57 HydrophobicContact CB-CZ 4.16Å; L17-F57 HydrophobicContact CD1-CE2 4.3Å; L17-F57 HydrophobicContact CD2-CE2 4.24Å; L17-F57 HydrophobicContact CG-CE2 4.44Å; L17-F60 HydrophobicContact CD1-CD1 3.84Å; L17-F60 HydrophobicContact CD1-CE1 3.69Å; L17-V61 HydrophobicContact CB-CG2 3.97Å; L17-V61 HydrophobicContact CD1-CG2 4.25Å
18V96.9Very high94.6Very high1 Ų149.7 Ų49.71%0.00630%0.301CS..Hα-helixtrans-62.5-47.9172.6172.60000110.3G14 I15 T16 V20 A21 I22 P26 P46 L48 V61 L65G14-V18 WeakPolarHBondContact O-CG2 3.01Å; G14-V18 PolarHBondContact O-N 3.09Å; I15-V18 PolarHBondContact O-N 3.14Å; T16-V18 PolarHBondContact O-N 3.24Å; V18-V20 PolarHBondContact O-N 3.23Å; V18-A21 PolarHBondContact O-N 2.96Å; V18-A21 VanDerWaalsContact O-N 3.15Å; V18-I22 HydrophobicContact CG1-CD1 3.87Å; V18-I22 WeakPolarHBondContact O-CG1 3.32Å; V18-I22 PolarHBondContact O-N 2.98Å; V18-P26 HydrophobicContact CB-CG 4.39Å; V18-P26 HydrophobicContact CG1-CB 3.75Å; V18-P26 HydrophobicContact CG1-CG 3.98Å; V18-P46 HydrophobicContact CG1-CB 4.48Å; V18-L48 HydrophobicContact CG2-CD2 4.27Å; V18-L48 HydrophobicContact CG2-CG 4.43Å; V18-V61 HydrophobicContact CG2-CG1 3.53Å; V18-L65 HydrophobicContact CG2-CD1 3.91Å
19E96.4Very high94.2Very high74 Ų7456.4 Ų56.435%0.34632%0.321SS..Hα-helixtrans-58.6-46.5179.5174.8168.2-143.800112.3I15 T16 A21 I22 G23 N24 H25I15-E19 PolarHBondContact O-N 2.76Å; T16-E19 PolarHBondContact O-N 2.95Å; E19-A21 VanDerWaalsContact C-N 3.3Å; E19-A21 PolarHBondContact O-N 3.3Å; E19-I22 PolarHBondContact O-N 3.23Å; E19-G23 WeakPolarHBondContact O-CA 3.4Å; E19-G23 PolarHBondContact O-N 3.45Å; E19-N24 WeakPolarHBondContact CA-O 3.31Å; E19-N24 PolarHBondContact O-N 3.03Å; E19-H25 WeakPolarHBondContact OE1-CB 3.31Å; E19-H25 IonicContact OE1-CD2 3.16Å; E19-H25 IonicContact OE2-CD2 3.8Å
20V93.4Very high93.6Very high111 Ų11158.4 Ų58.467%0.67332%0.324SS*.Hα-helixtrans-62.2-39.1175.9170.50000111.3T16 V18T16-V20 HydrophobicContact CG2-CG2 4.29Å; T16-V20 WeakPolarHBondContact O-CB 3.49Å; T16-V20 VanDerWaalsContact O-CG2 3.28Å; T16-V20 WeakPolarHBondContact O-CG2 3.31Å; T16-V20 PolarHBondContact O-N 3.06Å; V18-V20 PolarHBondContact O-N 3.23Å
21A92.7Very high93.1Very high27 Ų2767.7 Ų67.722%0.22337%0.365CS..Hα-helixtrans-71.7-36.2-178.100000113.6L17 V18 E19 L48 F53 F57L17-A21 VanDerWaalsContact O-CB 3.23Å; L17-A21 WeakPolarHBondContact O-CB 3.47Å; L17-A21 PolarHBondContact O-N 3.28Å; V18-A21 PolarHBondContact O-N 2.96Å; V18-A21 VanDerWaalsContact O-N 3.15Å; E19-A21 VanDerWaalsContact C-N 3.3Å; E19-A21 PolarHBondContact O-N 3.3Å; A21-L48 HydrophobicContact CB-CD2 3.63Å; A21-F53 HydrophobicContact CB-CE1 3.8Å; A21-F53 HydrophobicContact CB-CE2 4.46Å; A21-F53 HydrophobicContact CB-CZ 3.77Å; A21-F53 WeakPolarHBondContact O-CZ 3.48Å; A21-F57 HydrophobicContact CB-CE1 3.75Å; A21-F57 HydrophobicContact CB-CZ 4.02Å
22I92.3Very high92.8Very high66 Ų6669.1 Ų69.134%0.33838%0.377SS..Hα-helixtrans-102.1-7-176.376.2-175.2000113.4V18 E19 N24 P26 L48V18-I22 HydrophobicContact CG1-CD1 3.87Å; V18-I22 WeakPolarHBondContact O-CG1 3.32Å; V18-I22 PolarHBondContact O-N 2.98Å; E19-I22 PolarHBondContact O-N 3.23Å; I22-N24 VanDerWaalsContact C-N 3.26Å; I22-N24 VanDerWaalsContact CD1-O 3.27Å; I22-N24 WeakPolarHBondContact CD1-O 3.04Å; I22-N24 WeakPolarHBondContact CG1-O 3.33Å; I22-N24 PolarHBondContact O-N 3.04Å; I22-P26 HydrophobicContact CD1-CB 4.4Å; I22-L48 HydrophobicContact CG2-CD2 4.32Å
23G89.8Confident92.5Very high58 Ų5870.9 Ų70.960%0.59839%0.387SS*.SBendtrans75.54.4-179.900000115.3E19E19-G23 WeakPolarHBondContact O-CA 3.4Å; E19-G23 PolarHBondContact O-N 3.45Å
24N92.2Very high92.2Very high116 Ų11675.7 Ų75.762%0.6241%0.405SS*.SBendtrans-146.1148.2179.7-68.7-83000110.6E19 I22E19-N24 WeakPolarHBondContact CA-O 3.31Å; E19-N24 PolarHBondContact O-N 3.03Å; I22-N24 VanDerWaalsContact C-N 3.26Å; I22-N24 VanDerWaalsContact CD1-O 3.27Å; I22-N24 WeakPolarHBondContact CD1-O 3.04Å; I22-N24 WeakPolarHBondContact CG1-O 3.33Å; I22-N24 PolarHBondContact O-N 3.04Å
25H93.9Very high91.9Very high76 Ų7679.1 Ų79.135%0.35242%0.421SS..  trans-59.2131.3174.9-170.6-95000111E19 Y27E19-H25 WeakPolarHBondContact OE1-CB 3.31Å; E19-H25 IonicContact OE1-CD2 3.16Å; E19-H25 IonicContact OE2-CD2 3.8Å; H25-Y27 VanDerWaalsContact C-N 3.27Å; H25-Y27 AromaticContact CE1-CD2 3.66Å; H25-Y27 PolarHBondContact ND1-N 3.34Å; H25-Y27 PolarHBondContact ND1-O 3.08Å; H25-Y27 PolarHBondContact O-N 3.2Å
26P93.3Very high91.5Very high33 Ų3382.1 Ų82.121%0.21444%0.435CS..SBendtrans-71.7-18.3-169.925.8-34.9000114.7I15 V18 I22 P46I15-P26 HydrophobicContact CD1-CG 4.42Å; I15-P26 HydrophobicContact CG2-CG 4.05Å; V18-P26 HydrophobicContact CB-CG 4.39Å; V18-P26 HydrophobicContact CG1-CB 3.75Å; V18-P26 HydrophobicContact CG1-CG 3.98Å; I22-P26 HydrophobicContact CD1-CB 4.4Å; P26-P46 HydrophobicContact CB-CB 3.65Å; P26-P46 HydrophobicContact CB-CG 3.98Å; P26-P46 HydrophobicContact CG-CB 4.28Å; P26-P46 HydrophobicContact CG-CG 4.05Å
27Y92.1Very high91.2Very high15 Ų1583.5 Ų83.56%0.05944%0.439CS..SBendtrans-96.2140.8176-62-56.5000111.2W11 I15 H25 Q39 V40 P46W11-Y27 VanDerWaalsContact CZ2-OH 3.26Å; W11-Y27 WeakPolarHBondContact CZ2-OH 3.38Å; I15-Y27 HydrophobicContact CD1-CE2 3.6Å; I15-Y27 HydrophobicContact CG1-CE2 4.4Å; H25-Y27 VanDerWaalsContact C-N 3.27Å; H25-Y27 AromaticContact CE1-CD2 3.66Å; H25-Y27 PolarHBondContact ND1-N 3.34Å; H25-Y27 PolarHBondContact ND1-O 3.08Å; H25-Y27 PolarHBondContact O-N 3.2Å; Y27-Q39 HydrophobicContact CD1-CG 3.63Å; Y27-Q39 HydrophobicContact CE1-CG 3.73Å; Y27-V40 HydrophobicContact CD2-CG2 4.2Å; Y27-V40 HydrophobicContact CE2-CG2 3.71Å; Y27-P46 WeakPolarHBondContact OH-CD 3.16Å
28A86.3Confident90.9Very high59 Ų5988.7 Ų88.749%0.48846%0.46SS..PPolyproline II helixtrans-57.2153.4175.600000111.2W30A28-W30 HydrophobicContact CB-CZ2 4.24Å; A28-W30 PolarHBondContact O-N 3.46Å; A28-W30 PolarHBondContact O-NE1 2.69Å; A28-W30 VanDerWaalsContact O-NE1 3.07Å
29K84.9Confident90.6Very high212 Ų21289.7 Ų89.792%0.92247%0.465SS*.PPolyproline II helixtrans-71.6121.9170-65-176.6-178.2179.40108.4
30W83.8Confident90.4Very high96 Ų9688.1 Ų88.136%0.36446%0.46SS..PPolyproline II helixtrans-99.9158.5-177.6-63.399.8000111.8A28 T32 E35 Q36 Q39A28-W30 HydrophobicContact CB-CZ2 4.24Å; A28-W30 PolarHBondContact O-N 3.46Å; A28-W30 PolarHBondContact O-NE1 2.69Å; A28-W30 VanDerWaalsContact O-NE1 3.07Å; W30-T32 VanDerWaalsContact C-N 3.34Å; W30-E35 HydrophobicContact CB-CB 4.04Å; W30-E35 HydrophobicContact CD2-CB 3.82Å; W30-E35 HydrophobicContact CE3-CB 3.55Å; W30-E35 HydrophobicContact CE3-CG 4.3Å; W30-E35 HydrophobicContact CG-CB 4.04Å; W30-E35 HydrophobicContact CZ3-CB 4.29Å; W30-Q36 HydrophobicContact CB-CB 4.41Å; W30-Q36 VanDerWaalsContact CD1-CB 3.44Å; W30-Q36 HydrophobicContact CG-CB 4.03Å; W30-Q39 VanDerWaalsContact CE2-OE1 3.24Å; W30-Q39 HydrophobicContact CZ2-CB 4.04Å; W30-Q39 VanDerWaalsContact CZ2-CD 3.47Å; W30-Q39 HydrophobicContact CZ2-CG 4.35Å
31K86Confident90.3Very high196 Ų19686.8 Ų86.885%0.85245%0.452SS*.SBendtrans-76.5-30.4174.1-65.1-177.6-178.4179.40110.8E35K31-E35 PolarHBondContact N-OE2 3.3Å
32T90.2Very high90.3Very high59 Ų5992.4 Ų92.436%0.36248%0.475SS..SBendtrans-134.4149.4-178.873.40000112.3W30 F34 E35W30-T32 VanDerWaalsContact C-N 3.34Å; T32-F34 PolarHBondContact O-N 2.92Å; T32-E35 PolarHBondContact N-OE2 3.5Å; T32-E35 VanDerWaalsContact N-OE2 3.14Å; T32-E35 PolarHBondContact O-N 3.03Å; T32-E35 WeakPolarHBondContact OG1-CG 3.12Å; T32-E35 PolarHBondContact OG1-N 2.94Å
33P89.8Confident90.4Very high102 Ų10293.1 Ų93.166%0.66248%0.478SS*.Hα-helixtrans-59-28173.4-2635.2000114.1Q36 L37P33-Q36 PolarHBondContact O-N 2.86Å; P33-L37 WeakPolarHBondContact O-CB 3.45Å; P33-L37 PolarHBondContact O-N 3.18Å
34F91.9Very high90.6Very high166 Ų16695.4 Ų95.473%0.72848%0.482SS*.Hα-helixtrans-69.2-34.5179.1-70-70.8000112.9T32 L37 K38T32-F34 PolarHBondContact O-N 2.92Å; F34-L37 PolarHBondContact O-N 3.39Å; F34-K38 WeakPolarHBondContact O-CB 3.31Å; F34-K38 PolarHBondContact O-N 2.69Å
35E91.1Very high90.8Very high72 Ų7291.5 Ų91.534%0.33646%0.463SS..Hα-helixtrans-65.2-43.8173.8-70.1168.4154.400110.7W30 K31 T32 K38 Q39W30-E35 HydrophobicContact CB-CB 4.04Å; W30-E35 HydrophobicContact CD2-CB 3.82Å; W30-E35 HydrophobicContact CE3-CB 3.55Å; W30-E35 HydrophobicContact CE3-CG 4.3Å; W30-E35 HydrophobicContact CG-CB 4.04Å; W30-E35 HydrophobicContact CZ3-CB 4.29Å; K31-E35 PolarHBondContact N-OE2 3.3Å; T32-E35 PolarHBondContact N-OE2 3.5Å; T32-E35 VanDerWaalsContact N-OE2 3.14Å; T32-E35 PolarHBondContact O-N 3.03Å; T32-E35 WeakPolarHBondContact OG1-CG 3.12Å; T32-E35 PolarHBondContact OG1-N 2.94Å; E35-K38 WeakPolarHBondContact O-CB 3.47Å; E35-K38 PolarHBondContact O-N 2.85Å; E35-Q39 PolarHBondContact O-N 3.06Å
36Q90Very high90.8Very high78 Ų7889 Ų8936%0.36445%0.453SS..Hα-helixtrans-62.1-45.3175-170176.67.900111.7W30 P33 K38 Q39 V40W30-Q36 HydrophobicContact CB-CB 4.41Å; W30-Q36 VanDerWaalsContact CD1-CB 3.44Å; W30-Q36 HydrophobicContact CG-CB 4.03Å; P33-Q36 PolarHBondContact O-N 2.86Å; Q36-K38 VanDerWaalsContact C-N 3.3Å; Q36-K38 PolarHBondContact O-N 3.32Å; Q36-Q39 PolarHBondContact O-N 3.2Å; Q36-V40 WeakPolarHBondContact O-CG2 3.29Å; Q36-V40 PolarHBondContact O-N 3.14Å
37L91.5Very high90.8Very high101 Ų10195.6 Ų95.653%0.52948%0.479SS..Hα-helixtrans-60.1-42.7176.1-179.662.6000111.1P33 F34 Q39 V40 V41P33-L37 WeakPolarHBondContact O-CB 3.45Å; P33-L37 PolarHBondContact O-N 3.18Å; F34-L37 PolarHBondContact O-N 3.39Å; L37-Q39 VanDerWaalsContact C-N 3.33Å; L37-Q39 PolarHBondContact O-N 2.97Å; L37-V40 PolarHBondContact O-N 3.25Å; L37-V41 HydrophobicContact CD1-CG2 3.97Å; L37-V41 HydrophobicContact CG-CG2 4.34Å; L37-V41 WeakPolarHBondContact O-CB 3.31Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 2.91Å
38K91Very high90.8Very high144 Ų14495.7 Ų95.763%0.62648%0.48SS*.Hα-helixtrans-59.3-44.9175.9-178.1-174.4174.4-171.60110.9F34 E35 Q36 V41 M42F34-K38 WeakPolarHBondContact O-CB 3.31Å; F34-K38 PolarHBondContact O-N 2.69Å; E35-K38 WeakPolarHBondContact O-CB 3.47Å; E35-K38 PolarHBondContact O-N 2.85Å; Q36-K38 VanDerWaalsContact C-N 3.3Å; Q36-K38 PolarHBondContact O-N 3.32Å; K38-V41 PolarHBondContact O-N 3.41Å; K38-M42 HydrophobicContact CG-CG 4.04Å; K38-M42 WeakPolarHBondContact O-CB 3.28Å; K38-M42 WeakPolarHBondContact O-CG 3.46Å; K38-M42 PolarHBondContact O-N 3.05Å
39Q90.8Very high91Very high22 Ų2295.8 Ų95.810%0.10348%0.475CS..Hα-helixtrans-60.8-51.3175.5170.2166.75700111.4Y27 W30 E35 Q36 L37 V41 M42 E43Y27-Q39 HydrophobicContact CD1-CG 3.63Å; Y27-Q39 HydrophobicContact CE1-CG 3.73Å; W30-Q39 VanDerWaalsContact CE2-OE1 3.24Å; W30-Q39 HydrophobicContact CZ2-CB 4.04Å; W30-Q39 VanDerWaalsContact CZ2-CD 3.47Å; W30-Q39 HydrophobicContact CZ2-CG 4.35Å; E35-Q39 PolarHBondContact O-N 3.06Å; Q36-Q39 PolarHBondContact O-N 3.2Å; L37-Q39 VanDerWaalsContact C-N 3.33Å; L37-Q39 PolarHBondContact O-N 2.97Å; Q39-V41 PolarHBondContact O-N 3.26Å; Q39-M42 PolarHBondContact O-N 3.15Å; Q39-E43 HydrophobicContact CG-CB 4.2Å; Q39-E43 HydrophobicContact CG-CG 4.3Å; Q39-E43 VanDerWaalsContact CG-OE2 3.3Å; Q39-E43 WeakPolarHBondContact CG-OE2 3.39Å; Q39-E43 PolarHBondContact NE2-OE2 3.38Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 PolarHBondContact O-N 2.87Å
40V92.3Very high91Very high41 Ų4192 Ų9225%0.24847%0.465CS..Hα-helixtrans-58-33.3179.3170.50000112.1W11 Y27 Q36 L37 K67W11-V40 HydrophobicContact CZ2-CG1 4.01Å; Y27-V40 HydrophobicContact CD2-CG2 4.2Å; Y27-V40 HydrophobicContact CE2-CG2 3.71Å; Q36-V40 WeakPolarHBondContact O-CG2 3.29Å; Q36-V40 PolarHBondContact O-N 3.14Å; L37-V40 PolarHBondContact O-N 3.25Å; V40-K67 PolarHBondContact O-NZ 3.5Å
41V90.9Very high90.9Very high84 Ų8497.6 Ų97.651%0.50949%0.493SS..Hα-helixtrans-86.8-45.6-179.7174.20000112.2L37 K38 Q39 K67L37-V41 HydrophobicContact CD1-CG2 3.97Å; L37-V41 HydrophobicContact CG-CG2 4.34Å; L37-V41 WeakPolarHBondContact O-CB 3.31Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.38Å; L37-V41 PolarHBondContact O-N 2.91Å; K38-V41 PolarHBondContact O-N 3.41Å; Q39-V41 PolarHBondContact O-N 3.26Å; V41-K67 VanDerWaalsContact O-CE 3.31Å; V41-K67 WeakPolarHBondContact O-CE 3.42Å; V41-K67 PolarHBondContact O-NZ 3.32Å
42M91.9Very high91.1Very high144 Ų14492.6 Ų92.671%0.70948%0.479SS*.Hα-helixtrans-97.5-33.2-166.8-59.8-62.3-149.200114.2K38 Q39K38-M42 HydrophobicContact CG-CG 4.04Å; K38-M42 WeakPolarHBondContact O-CB 3.28Å; K38-M42 WeakPolarHBondContact O-CG 3.46Å; K38-M42 PolarHBondContact O-N 3.05Å; Q39-M42 PolarHBondContact O-N 3.15Å
43E94.1Very high91.3Very high82 Ų8292.8 Ų92.838%0.38348%0.475SS..SBendtrans-86.5158.7-173.9-66-179.1-163.600111.9Q39 K67Q39-E43 HydrophobicContact CG-CB 4.2Å; Q39-E43 HydrophobicContact CG-CG 4.3Å; Q39-E43 VanDerWaalsContact CG-OE2 3.3Å; Q39-E43 WeakPolarHBondContact CG-OE2 3.39Å; Q39-E43 PolarHBondContact NE2-OE2 3.38Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 PolarHBondContact O-N 2.87Å; E43-K67 WeakPolarHBondContact O-CE 3.28Å; E43-K67 PolarHBondContact O-NZ 2.96Å
44P94.5Very high91.5Very high105 Ų10591.2 Ų91.268%0.68247%0.466SS*.PPolyproline II helixtrans-53.5148.2171.9-25.335.3000111.9
45P95.9Very high91.6Very high34 Ų3487.1 Ų87.122%0.22146%0.463CS..PPolyproline II helixtrans-63.7151.2174.228.7-32.9000110.2W11 L65 K67W11-P45 HydrophobicContact CH2-CB 4.02Å; W11-P45 HydrophobicContact CZ3-CB 4.26Å; P45-L65 HydrophobicContact CB-CB 3.91Å; P45-L65 VanDerWaalsContact CB-O 3.3Å; P45-L65 WeakPolarHBondContact CB-O 3.39Å; P45-L65 WeakPolarHBondContact CG-O 3.39Å; P45-K67 HydrophobicContact CB-CD 4.45Å; P45-K67 HydrophobicContact CG-CG 4.24Å
46P95.4Very high91.8Very high24 Ų2485.9 Ų85.916%0.15646%0.458CS..PPolyproline II helixtrans-62.3149.7172.827.4-32.1000109.8I15 V18 P26 Y27 L65I15-P46 HydrophobicContact CD1-CG 3.75Å; V18-P46 HydrophobicContact CG1-CB 4.48Å; P26-P46 HydrophobicContact CB-CB 3.65Å; P26-P46 HydrophobicContact CB-CG 3.98Å; P26-P46 HydrophobicContact CG-CB 4.28Å; P26-P46 HydrophobicContact CG-CG 4.05Å; Y27-P46 WeakPolarHBondContact OH-CD 3.16Å; P46-L65 HydrophobicContact CG-CD1 3.9Å; P46-L65 WeakPolarHBondContact O-CD1 3.23Å
47K92.3Very high92.1Very high172 Ų17283.2 Ų83.275%0.74845%0.446SS*.  trans-125.4145.9179-66.2-177.6179.2-1780108.9
48L93Very high92.3Very high16 Ų1680.3 Ų80.38%0.08443%0.434CS..PPolyproline II helixtrans-67.6147.3168.9-69.6169.5000109.7V18 A21 I22 D50 F53 F57 V61V18-L48 HydrophobicContact CG2-CD2 4.27Å; V18-L48 HydrophobicContact CG2-CG 4.43Å; A21-L48 HydrophobicContact CB-CD2 3.63Å; I22-L48 HydrophobicContact CG2-CD2 4.32Å; L48-D50 PolarHBondContact O-N 2.89Å; L48-F53 HydrophobicContact CB-CD2 4.06Å; L48-F53 HydrophobicContact CB-CE2 4.46Å; L48-F53 HydrophobicContact CD1-CD2 4.4Å; L48-F53 HydrophobicContact CD2-CD2 4.2Å; L48-F53 HydrophobicContact CD2-CE2 4.07Å; L48-F53 HydrophobicContact CG-CD2 4.46Å; L48-F57 HydrophobicContact CD1-CD1 3.54Å; L48-F57 HydrophobicContact CD1-CE1 3.39Å; L48-F57 HydrophobicContact CD1-CG 4.35Å; L48-F57 HydrophobicContact CD1-CZ 4.08Å; L48-F57 HydrophobicContact CD2-CE1 4.17Å; L48-F57 HydrophobicContact CG-CE1 4.44Å; L48-V61 HydrophobicContact CD1-CB 4.08Å; L48-V61 HydrophobicContact CD1-CG1 4.27Å; L48-V61 HydrophobicContact CD1-CG2 3.95Å; L48-V61 HydrophobicContact CG-CG1 4.37Å
49P90.1Very high92.6Very high61 Ų6177.1 Ų77.140%0.39642%0.423SS..PPolyproline II helixtrans-51.1131.8169.8-26.631.4000112.3F53P49-F53 HydrophobicContact CG-CE2 4.3Å
50D84Confident92.9Very high133 Ų13376.3 Ų76.371%0.71142%0.419SS*.THydrogen-bonded Turntrans-61144.4178.1-64.7-38.8000110.7L48 T52L48-D50 PolarHBondContact O-N 2.89Å; D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 PolarHBondContact O-OG1 2.88Å
51F82.8Confident93.1Very high213 Ų21374.5 Ų74.593%0.93441%0.408SS*.THydrogen-bonded Turntrans58.59.7175.6-45.5-74.5000116.4
52T90.4Very high93.4Very high92 Ų9273.3 Ų73.356%0.56440%0.404SS*.THydrogen-bonded Turntrans-92.1-35.7178-56.60000112D50D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 PolarHBondContact O-OG1 2.88Å
53F94.3Very high93.7Very high63 Ų6367.6 Ų67.628%0.27638%0.376SS..SBendtrans-116.5164.4-175.4-57-86000112.3A21 L48 P49 F57A21-F53 HydrophobicContact CB-CE1 3.8Å; A21-F53 HydrophobicContact CB-CE2 4.46Å; A21-F53 HydrophobicContact CB-CZ 3.77Å; A21-F53 WeakPolarHBondContact O-CZ 3.48Å; L48-F53 HydrophobicContact CB-CD2 4.06Å; L48-F53 HydrophobicContact CB-CE2 4.46Å; L48-F53 HydrophobicContact CD1-CD2 4.4Å; L48-F53 HydrophobicContact CD2-CD2 4.2Å; L48-F53 HydrophobicContact CD2-CE2 4.07Å; L48-F53 HydrophobicContact CG-CD2 4.46Å; P49-F53 HydrophobicContact CG-CE2 4.3Å; F53-F57 HydrophobicContact CB-CD1 3.81Å; F53-F57 AromaticContact CD1-CD1 3.99Å; F53-F57 HydrophobicContact CD1-CD1 3.99Å; F53-F57 HydrophobicContact CD1-CE1 4.03Å; F53-F57 AromaticContact CG-CD1 3.98Å; F53-F57 HydrophobicContact CG-CD1 3.98Å; F53-F57 HydrophobicContact CG-CE1 4.25Å
54S93.9Very high93.9Very high68 Ų6863.7 Ų63.748%0.47636%0.358SS..  trans-59.1143.5176.975.20000111.7N56 F57 C58S54-N56 PolarHBondContact O-N 2.89Å; S54-F57 PolarHBondContact O-N 3.3Å; S54-F57 WeakPolarHBondContact OG-CB 3.48Å; S54-F57 PolarHBondContact OG-N 2.74Å; S54-C58 PolarHBondContact O-N 3.38Å
55A94.1Very high94.1Very high80 Ų8058.8 Ų58.866%0.66133%0.326SS*.Hα-helixtrans-55.4-39.9179.100000112.4F57 C58 D59A55-F57 PolarHBondContact O-N 3.4Å; A55-C58 PolarHBondContact O-N 3.49Å; A55-D59 WeakPolarHBondContact O-CB 3.42Å; A55-D59 PolarHBondContact O-N 2.83Å
56N95.3Very high94.1Very high46 Ų4662.1 Ų62.125%0.24633%0.334CS..Hα-helixtrans-64.2-39.2177.3-70.7-15.4000112.5S54 F60 H81 F83 Q86S54-N56 PolarHBondContact O-N 2.89Å; N56-F60 WeakPolarHBondContact O-CB 3.35Å; N56-F60 PolarHBondContact O-N 3.41Å; N56-H81 PolarHBondContact O-CE1 3.23Å; N56-H81 VanDerWaalsContact O-CE1 3.28Å; N56-F83 HydrophobicContact CB-CB 4.19Å; N56-Q86 VanDerWaalsContact ND2-CD 3.3Å; N56-Q86 PolarHBondContact ND2-NE2 2.81Å; N56-Q86 PolarHBondContact ND2-OE1 3.41Å; N56-Q86 VanDerWaalsContact ND2-OE1 3.15Å
57F96Very high94.1Very high23 Ų2364.7 Ų64.710%0.10134%0.343CS..Hα-helixtrans-68.2-45.2176.7179.9-127.8000111.4L17 A21 L48 F53 S54 A55 D59 F60 V61 F83L17-F57 HydrophobicContact CB-CE2 4.07Å; L17-F57 HydrophobicContact CB-CZ 4.16Å; L17-F57 HydrophobicContact CD1-CE2 4.3Å; L17-F57 HydrophobicContact CD2-CE2 4.24Å; L17-F57 HydrophobicContact CG-CE2 4.44Å; A21-F57 HydrophobicContact CB-CE1 3.75Å; A21-F57 HydrophobicContact CB-CZ 4.02Å; L48-F57 HydrophobicContact CD1-CD1 3.54Å; L48-F57 HydrophobicContact CD1-CE1 3.39Å; L48-F57 HydrophobicContact CD1-CG 4.35Å; L48-F57 HydrophobicContact CD1-CZ 4.08Å; L48-F57 HydrophobicContact CD2-CE1 4.17Å; L48-F57 HydrophobicContact CG-CE1 4.44Å; F53-F57 HydrophobicContact CB-CD1 3.81Å; F53-F57 AromaticContact CD1-CD1 3.99Å; F53-F57 HydrophobicContact CD1-CD1 3.99Å; F53-F57 HydrophobicContact CD1-CE1 4.03Å; F53-F57 AromaticContact CG-CD1 3.98Å; F53-F57 HydrophobicContact CG-CD1 3.98Å; F53-F57 HydrophobicContact CG-CE1 4.25Å; S54-F57 PolarHBondContact O-N 3.3Å; S54-F57 WeakPolarHBondContact OG-CB 3.48Å; S54-F57 PolarHBondContact OG-N 2.74Å; A55-F57 PolarHBondContact O-N 3.4Å; F57-D59 VanDerWaalsContact C-N 3.32Å; F57-D59 PolarHBondContact O-N 2.94Å; F57-F60 PolarHBondContact O-N 3.41Å; F57-V61 HydrophobicContact CD2-CG2 3.99Å; F57-V61 HydrophobicContact CE2-CG2 3.58Å; F57-V61 HydrophobicContact CZ-CG2 3.88Å; F57-V61 WeakPolarHBondContact O-CG2 3.45Å; F57-V61 PolarHBondContact O-N 3.05Å; F57-F83 HydrophobicContact CB-CD2 3.79Å; F57-F83 HydrophobicContact CB-CE2 3.7Å; F57-F83 HydrophobicContact CB-CZ 4.48Å; F57-F83 HydrophobicContact CD2-CD1 4.39Å; F57-F83 HydrophobicContact CD2-CD2 4.03Å; F57-F83 AromaticContact CD2-CE1 3.84Å; F57-F83 HydrophobicContact CD2-CE1 3.84Å; F57-F83 AromaticContact CD2-CE2 3.43Å; F57-F83 HydrophobicContact CD2-CE2 3.43Å; F57-F83 VanDerWaalsContact CD2-CE2 3.43Å; F57-F83 HydrophobicContact CD2-CG 4.49Å; F57-F83 AromaticContact CD2-CZ 3.32Å; F57-F83 HydrophobicContact CD2-CZ 3.32Å; F57-F83 HydrophobicContact CE2-CE1 4.28Å; F57-F83 HydrophobicContact CE2-CE2 4.35Å; F57-F83 AromaticContact CE2-CZ 3.85Å; F57-F83 HydrophobicContact CE2-CZ 3.85Å; F57-F83 HydrophobicContact CG-CD2 4.36Å; F57-F83 AromaticContact CG-CE2 3.87Å; F57-F83 HydrophobicContact CG-CE2 3.87Å; F57-F83 HydrophobicContact CG-CZ 4.2Å
58C96Very high94.2Very high40 Ų4059.6 Ų59.627%0.2732%0.324SS..Hα-helixtrans-57.9-44.9175.4-670000111.9S54 A55 S62S54-C58 PolarHBondContact O-N 3.38Å; A55-C58 PolarHBondContact O-N 3.49Å; C58-S62 WeakPolarHBondContact O-CB 3.47Å; C58-S62 PolarHBondContact O-N 3.42Å
59D96.2Very high94.2Very high77 Ų7763.5 Ų63.541%0.41234%0.338SS..Hα-helixtrans-64-47.1177.5-168.953.9000111.5A55 F57 V61 S62 L63 H81A55-D59 WeakPolarHBondContact O-CB 3.42Å; A55-D59 PolarHBondContact O-N 2.83Å; F57-D59 VanDerWaalsContact C-N 3.32Å; F57-D59 PolarHBondContact O-N 2.94Å; D59-V61 PolarHBondContact O-N 2.96Å; D59-S62 WeakPolarHBondContact O-CA 3.47Å; D59-S62 WeakPolarHBondContact O-CB 3.43Å; D59-S62 PolarHBondContact O-N 3.03Å; D59-S62 PolarHBondContact O-OG 3.02Å; D59-L63 WeakPolarHBondContact O-CG 3.23Å; D59-L63 PolarHBondContact O-N 3.33Å; D59-H81 IonicContact OD2-CE1 3.9Å; D59-H81 IonicContact OD2-NE2 3.73Å; D59-H81 PolarHBondContact OD2-NE2 3.28Å
60F97.5Very high94.4Very high4 Ų469 Ų692%0.01835%0.351CS..Hα-helixtrans-56.6-48.1177.7-172.3-95.5000112.3L13 L17 N56 F57 S62 L63 C64 L78 H81 F83 L84L13-F60 HydrophobicContact CD2-CE1 4.3Å; L13-F60 HydrophobicContact CD2-CZ 4.45Å; L17-F60 HydrophobicContact CD1-CD1 3.84Å; L17-F60 HydrophobicContact CD1-CE1 3.69Å; N56-F60 WeakPolarHBondContact O-CB 3.35Å; N56-F60 PolarHBondContact O-N 3.41Å; F57-F60 PolarHBondContact O-N 3.41Å; F60-S62 VanDerWaalsContact C-N 3.32Å; F60-S62 PolarHBondContact O-N 2.95Å; F60-L63 WeakPolarHBondContact O-CB 3.39Å; F60-L63 PolarHBondContact O-N 3.15Å; F60-C64 PolarHBondContact O-N 3.02Å; F60-C64 VanDerWaalsContact O-N 3.08Å; F60-C64 PolarHBondContact O-SG 3.36Å; F60-C64 VanDerWaalsContact O-SG 3.34Å; F60-L78 HydrophobicContact CD2-CD2 4.06Å; F60-L78 HydrophobicContact CE2-CB 4.09Å; F60-L78 HydrophobicContact CE2-CD2 3.59Å; F60-L78 HydrophobicContact CE2-CG 4.41Å; F60-L78 HydrophobicContact CZ-CB 4.42Å; F60-L78 HydrophobicContact CZ-CD2 4.02Å; F60-H81 HydrophobicContact CD2-CB 3.76Å; F60-H81 AromaticContact CD2-CG 3.58Å; F60-H81 AromaticContact CD2-ND1 3.47Å; F60-H81 WeakPolarHBondContact CD2-ND1 3.12Å; F60-H81 HydrophobicContact CE2-CB 4.03Å; F60-F83 HydrophobicContact CB-CB 3.88Å; F60-F83 HydrophobicContact CB-CD1 3.95Å; F60-F83 HydrophobicContact CB-CG 4.06Å; F60-F83 AromaticContact CD1-CD1 3.71Å; F60-F83 HydrophobicContact CD1-CD1 3.71Å; F60-F83 HydrophobicContact CD1-CE1 4.12Å; F60-F83 HydrophobicContact CD2-CB 4.19Å; F60-F83 HydrophobicContact CD2-CD1 4.05Å; F60-F83 HydrophobicContact CE1-CD1 4.19Å; F60-F83 HydrophobicContact CE1-CE1 4.46Å; F60-F83 HydrophobicContact CE2-CD1 4.46Å; F60-F83 HydrophobicContact CG-CB 4.15Å; F60-F83 AromaticContact CG-CD1 3.63Å; F60-F83 HydrophobicContact CG-CD1 3.63Å; F60-F83 HydrophobicContact CG-CE1 4.47Å; F60-F83 HydrophobicContact CG-CG 4.19Å; F60-L84 HydrophobicContact CE2-CD1 3.75Å; F60-L84 HydrophobicContact CE2-CG 3.94Å; F60-L84 HydrophobicContact CZ-CD1 3.79Å; F60-L84 HydrophobicContact CZ-CG 4.14Å
61V97.7Very high94.9Very high3 Ų367.8 Ų67.82%0.01834%0.341CS..Hα-helixtrans-62.9-40.7176.21700000110.8L17 V18 L48 F57 D59 L63 C64 L65L17-V61 HydrophobicContact CB-CG2 3.97Å; L17-V61 HydrophobicContact CD1-CG2 4.25Å; V18-V61 HydrophobicContact CG2-CG1 3.53Å; L48-V61 HydrophobicContact CD1-CB 4.08Å; L48-V61 HydrophobicContact CD1-CG1 4.27Å; L48-V61 HydrophobicContact CD1-CG2 3.95Å; L48-V61 HydrophobicContact CG-CG1 4.37Å; F57-V61 HydrophobicContact CD2-CG2 3.99Å; F57-V61 HydrophobicContact CE2-CG2 3.58Å; F57-V61 HydrophobicContact CZ-CG2 3.88Å; F57-V61 WeakPolarHBondContact O-CG2 3.45Å; F57-V61 PolarHBondContact O-N 3.05Å; D59-V61 PolarHBondContact O-N 2.96Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.47Å; V61-C64 PolarHBondContact O-N 3.39Å; V61-L65 HydrophobicContact CG1-CD1 3.74Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CB 3.37Å; V61-L65 WeakPolarHBondContact O-CG 3.15Å; V61-L65 PolarHBondContact O-N 2.95Å
62S97Very high95.6Very high59 Ų5958.5 Ų58.541%0.41330%0.3SS..Hα-helixtrans-62.2-38.6177.588.20000112.5C58 D59 F60 L65 R66C58-S62 WeakPolarHBondContact O-CB 3.47Å; C58-S62 PolarHBondContact O-N 3.42Å; D59-S62 WeakPolarHBondContact O-CA 3.47Å; D59-S62 WeakPolarHBondContact O-CB 3.43Å; D59-S62 PolarHBondContact O-N 3.03Å; D59-S62 PolarHBondContact O-OG 3.02Å; F60-S62 VanDerWaalsContact C-N 3.32Å; F60-S62 PolarHBondContact O-N 2.95Å; S62-L65 CarbonylContact O-C 3.59Å; S62-L65 PolarHBondContact O-N 3.25Å; S62-R66 WeakPolarHBondContact O-CG 3.47Å; S62-R66 PolarHBondContact O-N 2.69Å
63L97.9Very high95.9Very high24 Ų2455.2 Ų55.213%0.12628%0.28CS..Hα-helixtrans-63.8-46.1175.1-70.2174.9000110.9D59 F60 V61 L65 R66 P73D59-L63 WeakPolarHBondContact O-CG 3.23Å; D59-L63 PolarHBondContact O-N 3.33Å; F60-L63 WeakPolarHBondContact O-CB 3.39Å; F60-L63 PolarHBondContact O-N 3.15Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.47Å; L63-L65 VanDerWaalsContact C-N 3.27Å; L63-L65 PolarHBondContact O-N 3.3Å; L63-R66 PolarHBondContact O-N 2.89Å; L63-P73 HydrophobicContact CB-CG 4.09Å
64C98Very high95.9Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-61.5-36.4177.1-690000112.3V10 F60 V61 R72V10-C64 HydrophobicContact CG1-CB 4.03Å; V10-C64 WeakPolarHBondContact O-CB 3.2Å; F60-C64 PolarHBondContact O-N 3.02Å; F60-C64 VanDerWaalsContact O-N 3.08Å; F60-C64 PolarHBondContact O-SG 3.36Å; F60-C64 VanDerWaalsContact O-SG 3.34Å; V61-C64 PolarHBondContact O-N 3.39Å; C64-R72 WeakPolarHBondContact O-CD 3.26Å; C64-R72 PolarHBondContact O-NE 3.06Å
65L97.9Very high95.9Very high3 Ų359.1 Ų59.12%0.01629%0.286CS..THydrogen-bonded Turntrans-96.921.2-174.8-61.3-178.9000114.4W11 I15 V18 P45 P46 V61 S62 L63 K67W11-L65 HydrophobicContact CD2-CD2 3.85Å; W11-L65 HydrophobicContact CE3-CB 4.39Å; W11-L65 HydrophobicContact CE3-CD2 3.75Å; W11-L65 HydrophobicContact CG-CD2 4.39Å; W11-L65 HydrophobicContact CZ3-CB 4.22Å; W11-L65 HydrophobicContact CZ3-CD2 4.12Å; W11-L65 WeakPolarHBondContact CZ3-O 3.41Å; I15-L65 HydrophobicContact CD1-CD2 3.71Å; I15-L65 HydrophobicContact CG1-CD2 4.06Å; V18-L65 HydrophobicContact CG2-CD1 3.91Å; P45-L65 HydrophobicContact CB-CB 3.91Å; P45-L65 VanDerWaalsContact CB-O 3.3Å; P45-L65 WeakPolarHBondContact CB-O 3.39Å; P45-L65 WeakPolarHBondContact CG-O 3.39Å; P46-L65 HydrophobicContact CG-CD1 3.9Å; P46-L65 WeakPolarHBondContact O-CD1 3.23Å; V61-L65 HydrophobicContact CG1-CD1 3.74Å; V61-L65 HydrophobicContact CG1-CG 4.33Å; V61-L65 WeakPolarHBondContact O-CB 3.37Å; V61-L65 WeakPolarHBondContact O-CG 3.15Å; V61-L65 PolarHBondContact O-N 2.95Å; S62-L65 CarbonylContact O-C 3.59Å; S62-L65 PolarHBondContact O-N 3.25Å; L63-L65 VanDerWaalsContact C-N 3.27Å; L63-L65 PolarHBondContact O-N 3.3Å; L65-K67 PolarHBondContact O-N 3.33Å
66R97.2Very high95.8Very high103 Ų10360.9 Ų60.939%0.38929%0.288SS..  trans-63.2125168.7-71.4-177.8173.7175.5-2.5110.6S62 L63 E71 R72S62-R66 WeakPolarHBondContact O-CG 3.47Å; S62-R66 PolarHBondContact O-N 2.69Å; L63-R66 PolarHBondContact O-N 2.89Å; R66-E71 HydrophobicContact CB-CB 4.47Å; R66-E71 WeakPolarHBondContact CD-O 3.3Å; R66-E71 PolarHBondContact NH1-O 2.93Å; R66-R72 HydrophobicContact CB-CB 4.5Å; R66-R72 PolarHBondContact O-NE 3.14Å; R66-R72 PolarHBondContact O-NH2 3.23Å
67K94.8Very high95.7Very high78 Ų7863.3 Ų63.334%0.33930%0.301SS..SBendtrans-66.3-41.2-177.1-68.1-76.3-78.3-167.70112.4W11 V40 V41 E43 P45 L65 Y69W11-K67 HydrophobicContact CH2-CD 3.74Å; W11-K67 HydrophobicContact CZ3-CD 4.06Å; V40-K67 PolarHBondContact O-NZ 3.5Å; V41-K67 VanDerWaalsContact O-CE 3.31Å; V41-K67 WeakPolarHBondContact O-CE 3.42Å; V41-K67 PolarHBondContact O-NZ 3.32Å; E43-K67 WeakPolarHBondContact O-CE 3.28Å; E43-K67 PolarHBondContact O-NZ 2.96Å; P45-K67 HydrophobicContact CB-CD 4.45Å; P45-K67 HydrophobicContact CG-CG 4.24Å; L65-K67 PolarHBondContact O-N 3.33Å; K67-Y69 PolarHBondContact O-N 3.08Å; K67-Y69 VanDerWaalsContact O-N 3.15Å
68N94.4Very high95.7Very high65 Ų6562.4 Ų62.435%0.34830%0.297SS..SBendtrans-72.9106.5170.8-176.9-1.4000108.9R70 E71 R72N68-R70 PolarHBondContact O-N 3.32Å; N68-R70 WeakPolarHBondContact OD1-CB 3.44Å; N68-R70 PolarHBondContact OD1-N 2.93Å; N68-E71 HydrophobicContact CB-CB 4.37Å; N68-E71 HydrophobicContact CB-CG 4.09Å; N68-E71 PolarHBondContact ND2-OE1 3.22Å; N68-E71 PolarHBondContact O-N 3.43Å; N68-R72 PolarHBondContact O-N 3.4Å
69Y93Very high95.6Very high99 Ų9966.3 Ų66.339%0.38831%0.314SS..G310 helixtrans-56.6-25.2179.480.4-86.9000112.4D5 R7 K67 E71 R72D5-Y69 WeakPolarHBondContact OD2-CD2 3.44Å; D5-Y69 VanDerWaalsContact OD2-CE2 3.29Å; D5-Y69 WeakPolarHBondContact OD2-CE2 3.48Å; R7-Y69 WeakPolarHBondContact CD-O 3.42Å; R7-Y69 PolarHBondContact NE-O 3.48Å; R7-Y69 PolarHBondContact NH1-O 3.24Å; K67-Y69 PolarHBondContact O-N 3.08Å; K67-Y69 VanDerWaalsContact O-N 3.15Å; Y69-E71 VanDerWaalsContact C-N 3.27Å; Y69-E71 PolarHBondContact O-N 2.9Å; Y69-R72 WeakPolarHBondContact O-CB 3.34Å; Y69-R72 PolarHBondContact O-N 3.22Å
70R93.4Very high95.5Very high177 Ų17765.3 Ų65.367%0.66832%0.322SS*.G310 helixtrans-68.8-27.2177.7-64.7-175.9177.5155.5-3.2113.5R7 N68R7-R70 PolarHBondContact NH1-O 3.4Å; N68-R70 PolarHBondContact O-N 3.32Å; N68-R70 WeakPolarHBondContact OD1-CB 3.44Å; N68-R70 PolarHBondContact OD1-N 2.93Å
71E96.1Very high95.6Very high106 Ų10666 Ų6650%0.49533%0.325SS..G310 helixtrans-88.9-11.8178.1-64.6164.2-15900112.3R66 N68 Y69R66-E71 HydrophobicContact CB-CB 4.47Å; R66-E71 WeakPolarHBondContact CD-O 3.3Å; R66-E71 PolarHBondContact NH1-O 2.93Å; N68-E71 HydrophobicContact CB-CB 4.37Å; N68-E71 HydrophobicContact CB-CG 4.09Å; N68-E71 PolarHBondContact ND2-OE1 3.22Å; N68-E71 PolarHBondContact O-N 3.43Å; Y69-E71 VanDerWaalsContact C-N 3.27Å; Y69-E71 PolarHBondContact O-N 2.9Å
72R97Very high95.5Very high19 Ų1968.8 Ų68.87%0.07234%0.344CS..SBendtrans-74.3126.5175.5-166.5179.1-57.6146.82.8109.1R7 V10 W11 C64 R66 N68 Y69R7-R72 HydrophobicContact CB-CB 4.45Å; R7-R72 WeakPolarHBondContact CD-O 3.41Å; R7-R72 HydrophobicContact CG-CB 4.5Å; R7-R72 VanDerWaalsContact O-CD 3.23Å; R7-R72 WeakPolarHBondContact O-CD 3.41Å; R7-R72 PolarHBondContact O-NH1 3.28Å; V10-R72 HydrophobicContact CB-CG 4.19Å; V10-R72 HydrophobicContact CG1-CG 3.68Å; W11-R72 VanDerWaalsContact CB-NH1 3.34Å; C64-R72 WeakPolarHBondContact O-CD 3.26Å; C64-R72 PolarHBondContact O-NE 3.06Å; R66-R72 HydrophobicContact CB-CB 4.5Å; R66-R72 PolarHBondContact O-NE 3.14Å; R66-R72 PolarHBondContact O-NH2 3.23Å; N68-R72 PolarHBondContact O-N 3.4Å; Y69-R72 WeakPolarHBondContact O-CB 3.34Å; Y69-R72 PolarHBondContact O-N 3.22Å
73P95.6Very high95.5Very high22 Ų2268.2 Ų68.214%0.14333%0.334CS..PPolyproline II helixtrans-65157.9178.526.4-34.3000111.8L63 D77 L78L63-P73 HydrophobicContact CB-CG 4.09Å; P73-D77 HydrophobicContact CB-CB 3.86Å; P73-L78 HydrophobicContact CB-CD2 4.33Å; P73-L78 HydrophobicContact CB-CG 4.06Å; P73-L78 HydrophobicContact CG-CD1 4.26Å; P73-L78 HydrophobicContact CG-CD2 3.53Å; P73-L78 HydrophobicContact CG-CG 3.71Å
74K94.7Very high95.4Very high104 Ų10470.3 Ų70.345%0.45235%0.345SS..PPolyproline II helixtrans-88.3170.3169.6-66.8-176.8179.4-178.50109.6V6 R7 V76 D77 L78V6-K74 HydrophobicContact CG1-CG 4.22Å; R7-K74 HydrophobicContact CG-CG 4.33Å; K74-V76 HydrophobicContact CB-CG2 4.19Å; K74-V76 PolarHBondContact O-N 3.15Å; K74-D77 PolarHBondContact N-OD2 2.87Å; K74-D77 PolarHBondContact O-N 3.43Å; K74-L78 PolarHBondContact O-N 3.02Å
75Y94.3Very high95.1Very high110 Ų11072.4 Ų72.443%0.43136%0.362SS..Hα-helixtrans-54.7-38.7179.4-61.4-40.3000114V6 D9 V10 D77 L78 I79V6-Y75 HydrophobicContact CB-CE2 4.49Å; V6-Y75 HydrophobicContact CG2-CD2 3.53Å; V6-Y75 HydrophobicContact CG2-CE1 4.34Å; V6-Y75 HydrophobicContact CG2-CE2 2.99Å; V6-Y75 HydrophobicContact CG2-CG 4.4Å; V6-Y75 VanDerWaalsContact CG2-CZ 3.47Å; D9-Y75 WeakPolarHBondContact CB-OH 3.27Å; V10-Y75 HydrophobicContact CG2-CD1 3.91Å; V10-Y75 HydrophobicContact CG2-CE1 3.58Å; Y75-D77 PolarHBondContact O-N 3.46Å; Y75-L78 HydrophobicContact CD1-CD1 4.48Å; Y75-L78 PolarHBondContact O-N 3.49Å; Y75-I79 PolarHBondContact O-N 3.4Å
76V92Very high94.8Very high117 Ų11777 Ų7771%0.70938%0.383SS*.Hα-helixtrans-60.4-29.2178.5-640000112.8K74K74-V76 HydrophobicContact CB-CG2 4.19Å; K74-V76 PolarHBondContact O-N 3.15Å
77D93.4Very high94.3Very high96 Ų9679 Ų7951%0.51339%0.391SS..Hα-helixtrans-87.7-37.8177.1-45.7-59.6000110.8P73 K74 Y75P73-D77 HydrophobicContact CB-CB 3.86Å; K74-D77 PolarHBondContact N-OD2 2.87Å; K74-D77 PolarHBondContact O-N 3.43Å; Y75-D77 PolarHBondContact O-N 3.46Å
78L95.6Very high94Very high5 Ų583.3 Ų83.33%0.02641%0.412CS..Hα-helixtrans-67.6-37.3-178.7-76.8167.7000113.2V10 F60 P73 K74 Y75 G80 H81V10-L78 HydrophobicContact CB-CD1 4.36Å; V10-L78 HydrophobicContact CG1-CD1 3.51Å; V10-L78 HydrophobicContact CG2-CD1 3.88Å; F60-L78 HydrophobicContact CD2-CD2 4.06Å; F60-L78 HydrophobicContact CE2-CB 4.09Å; F60-L78 HydrophobicContact CE2-CD2 3.59Å; F60-L78 HydrophobicContact CE2-CG 4.41Å; F60-L78 HydrophobicContact CZ-CB 4.42Å; F60-L78 HydrophobicContact CZ-CD2 4.02Å; P73-L78 HydrophobicContact CB-CD2 4.33Å; P73-L78 HydrophobicContact CB-CG 4.06Å; P73-L78 HydrophobicContact CG-CD1 4.26Å; P73-L78 HydrophobicContact CG-CD2 3.53Å; P73-L78 HydrophobicContact CG-CG 3.71Å; K74-L78 PolarHBondContact O-N 3.02Å; Y75-L78 HydrophobicContact CD1-CD1 4.48Å; Y75-L78 PolarHBondContact O-N 3.49Å; L78-G80 PolarHBondContact O-N 3.24Å; L78-H81 WeakPolarHBondContact O-CB 3.33Å; L78-H81 PolarHBondContact O-N 3.13Å
79I94.1Very high93.6Very high122 Ų12284.2 Ų84.263%0.62644%0.437SS*.THydrogen-bonded Turntrans-62.4-31.2-177.4-162167.7000112Y75 H81Y75-I79 PolarHBondContact O-N 3.4Å; I79-H81 VanDerWaalsContact C-N 3.28Å; I79-H81 PolarHBondContact O-N 2.93Å
80G94.7Very high93.4Very high56 Ų5685.1 Ų85.158%0.57745%0.445SS*.THydrogen-bonded Turntrans-82.40.8175.300000114.4L78L78-G80 PolarHBondContact O-N 3.24Å
81H97.8Very high93.2Very high18 Ų1886.1 Ų86.18%0.08346%0.457CS..SBendtrans-67.2140.3-179.7-172.4-90.4000111.1N56 D59 F60 L78 I79 F83 L84 A85N56-H81 PolarHBondContact O-CE1 3.23Å; N56-H81 VanDerWaalsContact O-CE1 3.28Å; D59-H81 IonicContact OD2-CE1 3.9Å; D59-H81 IonicContact OD2-NE2 3.73Å; D59-H81 PolarHBondContact OD2-NE2 3.28Å; F60-H81 HydrophobicContact CD2-CB 3.76Å; F60-H81 AromaticContact CD2-CG 3.58Å; F60-H81 AromaticContact CD2-ND1 3.47Å; F60-H81 WeakPolarHBondContact CD2-ND1 3.12Å; F60-H81 HydrophobicContact CE2-CB 4.03Å; L78-H81 WeakPolarHBondContact O-CB 3.33Å; L78-H81 PolarHBondContact O-N 3.13Å; I79-H81 VanDerWaalsContact C-N 3.28Å; I79-H81 PolarHBondContact O-N 2.93Å; H81-F83 VanDerWaalsContact ND1-CB 3.31Å; H81-F83 WeakPolarHBondContact ND1-CB 3.43Å; H81-F83 PolarHBondContact ND1-N 3.23Å; H81-F83 VanDerWaalsContact ND1-N 3.11Å; H81-F83 PolarHBondContact O-N 3.48Å; H81-L84 PolarHBondContact O-N 2.97Å; H81-A85 PolarHBondContact O-N 3.43Å
82P97.4Very high92.8Very high62 Ų6285 Ų8540%0.40347%0.466SS..Hα-helixtrans-51.4-33.3-178.8-31.436.7000115.3L84 Q86P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 2.89Å; P82-Q86 VanDerWaalsContact O-CB 3.24Å; P82-Q86 WeakPolarHBondContact O-CB 3.32Å; P82-Q86 WeakPolarHBondContact O-CG 3.16Å; P82-Q86 PolarHBondContact O-N 3.32Å
83F95.8Very high92.5Very high46 Ų4688.9 Ų88.920%0.20249%0.488CS..Hα-helixtrans-56.2-43.4174.9177.5-116.3000113.3N56 F57 F60 H81N56-F83 HydrophobicContact CB-CB 4.19Å; F57-F83 HydrophobicContact CB-CD2 3.79Å; F57-F83 HydrophobicContact CB-CE2 3.7Å; F57-F83 HydrophobicContact CB-CZ 4.48Å; F57-F83 HydrophobicContact CD2-CD1 4.39Å; F57-F83 HydrophobicContact CD2-CD2 4.03Å; F57-F83 AromaticContact CD2-CE1 3.84Å; F57-F83 HydrophobicContact CD2-CE1 3.84Å; F57-F83 AromaticContact CD2-CE2 3.43Å; F57-F83 HydrophobicContact CD2-CE2 3.43Å; F57-F83 VanDerWaalsContact CD2-CE2 3.43Å; F57-F83 HydrophobicContact CD2-CG 4.49Å; F57-F83 AromaticContact CD2-CZ 3.32Å; F57-F83 HydrophobicContact CD2-CZ 3.32Å; F57-F83 HydrophobicContact CE2-CE1 4.28Å; F57-F83 HydrophobicContact CE2-CE2 4.35Å; F57-F83 AromaticContact CE2-CZ 3.85Å; F57-F83 HydrophobicContact CE2-CZ 3.85Å; F57-F83 HydrophobicContact CG-CD2 4.36Å; F57-F83 AromaticContact CG-CE2 3.87Å; F57-F83 HydrophobicContact CG-CE2 3.87Å; F57-F83 HydrophobicContact CG-CZ 4.2Å; F60-F83 HydrophobicContact CB-CB 3.88Å; F60-F83 HydrophobicContact CB-CD1 3.95Å; F60-F83 HydrophobicContact CB-CG 4.06Å; F60-F83 AromaticContact CD1-CD1 3.71Å; F60-F83 HydrophobicContact CD1-CD1 3.71Å; F60-F83 HydrophobicContact CD1-CE1 4.12Å; F60-F83 HydrophobicContact CD2-CB 4.19Å; F60-F83 HydrophobicContact CD2-CD1 4.05Å; F60-F83 HydrophobicContact CE1-CD1 4.19Å; F60-F83 HydrophobicContact CE1-CE1 4.46Å; F60-F83 HydrophobicContact CE2-CD1 4.46Å; F60-F83 HydrophobicContact CG-CB 4.15Å; F60-F83 AromaticContact CG-CD1 3.63Å; F60-F83 HydrophobicContact CG-CD1 3.63Å; F60-F83 HydrophobicContact CG-CE1 4.47Å; F60-F83 HydrophobicContact CG-CG 4.19Å; H81-F83 VanDerWaalsContact ND1-CB 3.31Å; H81-F83 WeakPolarHBondContact ND1-CB 3.43Å; H81-F83 PolarHBondContact ND1-N 3.23Å; H81-F83 VanDerWaalsContact ND1-N 3.11Å; H81-F83 PolarHBondContact O-N 3.48Å
84L95.2Very high92.3Very high68 Ų6892.1 Ų92.136%0.35651%0.508SS..Hα-helixtrans-87.6-41.8179.6-63.8-178.1000111.4F60 H81 P82 Q86 R87 E88F60-L84 HydrophobicContact CE2-CD1 3.75Å; F60-L84 HydrophobicContact CE2-CG 3.94Å; F60-L84 HydrophobicContact CZ-CD1 3.79Å; F60-L84 HydrophobicContact CZ-CG 4.14Å; H81-L84 PolarHBondContact O-N 2.97Å; P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 2.89Å; L84-Q86 PolarHBondContact O-N 2.99Å; L84-R87 WeakPolarHBondContact O-CA 3.29Å; L84-R87 PolarHBondContact O-N 3.41Å; L84-E88 PolarHBondContact O-N 2.94Å
85A93.2Very high92.3Very high44 Ų4491.2 Ų91.236%0.36451%0.514SS..Hα-helixtrans-59.5-34.4-179.900000112.6H81 R87 E88H81-A85 PolarHBondContact O-N 3.43Å; A85-R87 PolarHBondContact O-N 3.34Å; A85-R87 VanDerWaalsContact O-N 3.17Å; A85-E88 WeakPolarHBondContact O-CB 3.48Å; A85-E88 PolarHBondContact O-N 3.49Å
86Q90.3Very high92.3Very high99 Ų9993.3 Ų93.346%0.46352%0.521SS..THydrogen-bonded Turntrans-66.1-12.8174.7-76.7175.4-600114.4N56 P82 L84 Q90N56-Q86 VanDerWaalsContact ND2-CD 3.3Å; N56-Q86 PolarHBondContact ND2-NE2 2.81Å; N56-Q86 PolarHBondContact ND2-OE1 3.41Å; N56-Q86 VanDerWaalsContact ND2-OE1 3.15Å; P82-Q86 VanDerWaalsContact O-CB 3.24Å; P82-Q86 WeakPolarHBondContact O-CB 3.32Å; P82-Q86 WeakPolarHBondContact O-CG 3.16Å; P82-Q86 PolarHBondContact O-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.99Å; Q86-Q90 PolarHBondContact O-NE2 2.94Å; Q86-Q90 PolarHBondContact O-OE1 3.13Å
87R87.5Confident92.2Very high147 Ų14793.5 Ų93.556%0.55551%0.513SS*.THydrogen-bonded Turntrans-108.9-3178.2-60.9-61.8-178.7-102.50.2112.3L84 A85 G89 Q90L84-R87 WeakPolarHBondContact O-CA 3.29Å; L84-R87 PolarHBondContact O-N 3.41Å; A85-R87 PolarHBondContact O-N 3.34Å; A85-R87 VanDerWaalsContact O-N 3.17Å; R87-G89 PolarHBondContact O-N 2.74Å; R87-Q90 WeakPolarHBondContact O-CB 3.39Å; R87-Q90 PolarHBondContact O-N 3.39Å
88E87.6Confident92.1Very high167 Ų16792.7 Ų92.778%0.7851%0.507SS*.THydrogen-bonded Turntrans-63.2125.2179.2-168.1167.4-151.100110.1L84 A85 Q90L84-E88 PolarHBondContact O-N 2.94Å; A85-E88 WeakPolarHBondContact O-CB 3.48Å; A85-E88 PolarHBondContact O-N 3.49Å; E88-Q90 VanDerWaalsContact C-N 3.26Å; E88-Q90 PolarHBondContact O-N 3.31Å
89G87.8Confident92Very high84 Ų8496.9 Ų96.987%0.86653%0.53SS*.THydrogen-bonded Turntrans77.51.5-175.500000115.5R87R87-G89 PolarHBondContact O-N 2.74Å
90Q88.5Confident91.8Very high118 Ų11895.2 Ų95.255%0.55152%0.519SS*.  trans-89.2123.2171.5-60.1-171.7-20.700109.4Q86 R87 E88 A92Q86-Q90 PolarHBondContact O-NE2 2.94Å; Q86-Q90 PolarHBondContact O-OE1 3.13Å; R87-Q90 WeakPolarHBondContact O-CB 3.39Å; R87-Q90 PolarHBondContact O-N 3.39Å; E88-Q90 VanDerWaalsContact C-N 3.26Å; E88-Q90 PolarHBondContact O-N 3.31Å; Q90-A92 PolarHBondContact O-N 3.27Å
91E88.3Confident91.4Very high198 Ų19896 Ų9693%0.92551%0.513SS*.  trans-72.6127.5172.4-68.7-171.6164.300109.9
92A87.8Confident91Very high84 Ų84100.2 Ų100.269%0.69454%0.535SS*.  trans-94.9113.4171.200000108.8Q90 V94Q90-A92 PolarHBondContact O-N 3.27Å; A92-V94 VanDerWaalsContact C-N 3.3Å; A92-V94 HydrophobicContact CB-CG2 4.45Å; A92-V94 PolarHBondContact O-N 2.97Å
93D91.9Very high90.6Very high99 Ų99102.8 Ų102.853%0.52955%0.546SS..  trans-80.981.5172-169.4-14.7000109.9S95 R96 F97D93-S95 VanDerWaalsContact C-N 3.26Å; D93-S95 PolarHBondContact O-N 2.83Å; D93-S95 PolarHBondContact OD1-N 3.47Å; D93-R96 HydrophobicContact CB-CB 3.96Å; D93-R96 PolarHBondContact O-N 3.35Å; D93-R96 WeakPolarHBondContact OD1-CB 3.47Å; D93-R96 PolarHBondContact OD1-N 3.39Å; D93-R96 VanDerWaalsContact OD2-CB 3.3Å; D93-R96 WeakPolarHBondContact OD2-CB 3.26Å; D93-F97 PolarHBondContact O-N 3.47Å; D93-F97 VanDerWaalsContact O-N 3.09Å
94V91.2Very high89.8Confident91 Ų91107.4 Ų107.455%0.55257%0.568SS**Hα-helixtrans-62.7-37.2179.5-177.40000110.5A92 R96 F97 I98A92-V94 VanDerWaalsContact C-N 3.3Å; A92-V94 HydrophobicContact CB-CG2 4.45Å; A92-V94 PolarHBondContact O-N 2.97Å; V94-R96 PolarHBondContact O-N 3.21Å; V94-F97 PolarHBondContact O-N 3.07Å; V94-I98 HydrophobicContact CG1-CG1 4.11Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.31Å; V94-I98 PolarHBondContact O-N 2.8Å
95S94.1Very high88.6Confident84 Ų84105.9 Ų105.959%0.58757%0.569SS**Hα-helixtrans-61.3-47.2179.4-63.30000111.2D93 I98 N99D93-S95 VanDerWaalsContact C-N 3.26Å; D93-S95 PolarHBondContact O-N 2.83Å; D93-S95 PolarHBondContact OD1-N 3.47Å; S95-I98 PolarHBondContact O-N 3.4Å; S95-N99 VanDerWaalsContact O-CG 3.31Å; S95-N99 PolarHBondContact O-N 2.84Å; S95-N99 PolarHBondContact O-ND2 2.86Å
96R93.9Very high87.1Confident154 Ų154106.5 Ų106.558%0.58157%0.574SS**Hα-helixtrans-58.9-48.4174177.9-179.6171.7-179.5-1.9111.7D93 V94 I98 N99 E100D93-R96 HydrophobicContact CB-CB 3.96Å; D93-R96 PolarHBondContact O-N 3.35Å; D93-R96 WeakPolarHBondContact OD1-CB 3.47Å; D93-R96 PolarHBondContact OD1-N 3.39Å; D93-R96 VanDerWaalsContact OD2-CB 3.3Å; D93-R96 WeakPolarHBondContact OD2-CB 3.26Å; V94-R96 PolarHBondContact O-N 3.21Å; R96-I98 VanDerWaalsContact C-N 3.33Å; R96-I98 PolarHBondContact O-N 3.39Å; R96-N99 PolarHBondContact O-N 2.81Å; R96-E100 HydrophobicContact CG-CG 4.41Å; R96-E100 WeakPolarHBondContact CG-OE1 3.26Å; R96-E100 IonicContact CZ-OE1 3.79Å; R96-E100 IonicContact NE-OE1 2.92Å; R96-E100 PolarHBondContact NE-OE1 2.93Å; R96-E100 IonicContact NH2-OE1 2.86Å; R96-E100 PolarHBondContact NH2-OE1 2.93Å; R96-E100 VanDerWaalsContact NH2-OE1 3.14Å; R96-E100 WeakPolarHBondContact O-CG 3.33Å; R96-E100 PolarHBondContact O-N 3.47Å
97F89.9Confident85.7Confident121 Ų121103 Ų10353%0.53157%0.565SS.*Hα-helixtrans-56.4-46.5177.8168.9-104.1000112.1D93 V94 E100 V101D93-F97 PolarHBondContact O-N 3.47Å; D93-F97 VanDerWaalsContact O-N 3.09Å; V94-F97 PolarHBondContact O-N 3.07Å; F97-E100 PolarHBondContact O-N 3.14Å; F97-V101 HydrophobicContact CD2-CG2 4.23Å; F97-V101 HydrophobicContact CE1-CG2 4.27Å; F97-V101 HydrophobicContact CE2-CG2 3.77Å; F97-V101 HydrophobicContact CZ-CG2 3.8Å; F97-V101 VanDerWaalsContact O-CG2 3.31Å; F97-V101 WeakPolarHBondContact O-CG2 3.4Å; F97-V101 PolarHBondContact O-N 2.84Å
98I91.9Very high84.6Confident79 Ų79100.7 Ų100.741%0.40556%0.563SS.*Hα-helixtrans-64.4-42.7179.1-65.5-61.7000111.3V94 S95 R96 V101 L102V94-I98 HydrophobicContact CG1-CG1 4.11Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.31Å; V94-I98 PolarHBondContact O-N 2.8Å; S95-I98 PolarHBondContact O-N 3.4Å; R96-I98 VanDerWaalsContact C-N 3.33Å; R96-I98 PolarHBondContact O-N 3.39Å; I98-V101 PolarHBondContact O-N 2.92Å; I98-L102 HydrophobicContact CG2-CD1 3.76Å; I98-L102 HydrophobicContact CG2-CG 4.18Å; I98-L102 WeakPolarHBondContact O-CB 3.3Å; I98-L102 VanDerWaalsContact O-CG 3.28Å; I98-L102 WeakPolarHBondContact O-CG 3.34Å; I98-L102 PolarHBondContact O-N 2.66Å
99N93.2Very high83.4Confident93 Ų9399.7 Ų99.750%0.49756%0.559SS.*Hα-helixtrans-62.2-44.1177.2-70.2-39.9000111.6S95 R96 V101 L102 D103S95-N99 VanDerWaalsContact O-CG 3.31Å; S95-N99 PolarHBondContact O-N 2.84Å; S95-N99 PolarHBondContact O-ND2 2.86Å; R96-N99 PolarHBondContact O-N 2.81Å; N99-V101 VanDerWaalsContact C-N 3.33Å; N99-V101 PolarHBondContact O-N 3.16Å; N99-L102 PolarHBondContact O-N 2.63Å; N99-D103 WeakPolarHBondContact O-CB 3.16Å; N99-D103 VanDerWaalsContact O-CG 3.27Å; N99-D103 PolarHBondContact O-N 3.34Å
100E90.3Very high82.1Confident87 Ų87102.8 Ų102.841%0.40755%0.551SS.*Hα-helixtrans-58.6-44.3176.3-72173.2176.200111.3R96 F97 E104R96-E100 HydrophobicContact CG-CG 4.41Å; R96-E100 WeakPolarHBondContact CG-OE1 3.26Å; R96-E100 IonicContact CZ-OE1 3.79Å; R96-E100 IonicContact NE-OE1 2.92Å; R96-E100 PolarHBondContact NE-OE1 2.93Å; R96-E100 IonicContact NH2-OE1 2.86Å; R96-E100 PolarHBondContact NH2-OE1 2.93Å; R96-E100 VanDerWaalsContact NH2-OE1 3.14Å; R96-E100 WeakPolarHBondContact O-CG 3.33Å; R96-E100 PolarHBondContact O-N 3.47Å; F97-E100 PolarHBondContact O-N 3.14Å; E100-E104 WeakPolarHBondContact O-CG 3.38Å; E100-E104 PolarHBondContact O-N 2.93Å; E100-E104 VanDerWaalsContact O-N 3.15Å
101V86.6Confident80.6Confident72 Ų72105.8 Ų105.844%0.43656%0.557SS.*Hα-helixtrans-66.1-40.6177.6172.40000112.3F97 I98 N99 G105F97-V101 HydrophobicContact CD2-CG2 4.23Å; F97-V101 HydrophobicContact CE1-CG2 4.27Å; F97-V101 HydrophobicContact CE2-CG2 3.77Å; F97-V101 HydrophobicContact CZ-CG2 3.8Å; F97-V101 VanDerWaalsContact O-CG2 3.31Å; F97-V101 WeakPolarHBondContact O-CG2 3.4Å; F97-V101 PolarHBondContact O-N 2.84Å; I98-V101 PolarHBondContact O-N 2.92Å; N99-V101 VanDerWaalsContact C-N 3.33Å; N99-V101 PolarHBondContact O-N 3.16Å; V101-G105 PolarHBondContact O-N 2.83Å
102L88.5Confident79.4Confident107 Ų107101.6 Ų101.656%0.5654%0.541SS*.Hα-helixtrans-70.6-37.3179.5-70.3176000112.2I98 N99 G105 A106I98-L102 HydrophobicContact CG2-CD1 3.76Å; I98-L102 HydrophobicContact CG2-CG 4.18Å; I98-L102 WeakPolarHBondContact O-CB 3.3Å; I98-L102 VanDerWaalsContact O-CG 3.28Å; I98-L102 WeakPolarHBondContact O-CG 3.34Å; I98-L102 PolarHBondContact O-N 2.66Å; N99-L102 PolarHBondContact O-N 2.63Å; L102-G105 PolarHBondContact O-N 3.18Å; L102-A106 PolarHBondContact O-N 3.37Å
103D88.9Confident78.5Confident116 Ų116100.7 Ų100.762%0.6253%0.533SS*.Hα-helixtrans-67.2-37.8177.5-74.4-15.8000111.6N99 G105 A106 G107N99-D103 WeakPolarHBondContact O-CB 3.16Å; N99-D103 VanDerWaalsContact O-CG 3.27Å; N99-D103 PolarHBondContact O-N 3.34Å; D103-G105 VanDerWaalsContact C-N 3.31Å; D103-G105 PolarHBondContact O-N 2.9Å; D103-A106 PolarHBondContact O-N 3.42Å; D103-G107 PolarHBondContact O-N 2.77Å
104E79.1Confident77.1Confident143 Ų14399.5 Ų99.567%0.66853%0.531SS*.Hα-helixtrans-63.4-37.5172.3-74.5-176.6-177.300112.2E100 N108E100-E104 WeakPolarHBondContact O-CG 3.38Å; E100-E104 PolarHBondContact O-N 2.93Å; E100-E104 VanDerWaalsContact O-N 3.15Å; E104-N108 WeakPolarHBondContact O-CB 3.36Å; E104-N108 PolarHBondContact O-N 2.95Å
105G69.8Low75.6Confident37 Ų3798.5 Ų98.538%0.38153%0.526SS..Hα-helixtrans-65-48.3174.500000112.6V101 L102 D103 G107 N108 E109V101-G105 PolarHBondContact O-N 2.83Å; L102-G105 PolarHBondContact O-N 3.18Å; D103-G105 VanDerWaalsContact C-N 3.31Å; D103-G105 PolarHBondContact O-N 2.9Å; G105-G107 VanDerWaalsContact C-N 3.35Å; G105-G107 PolarHBondContact O-N 3.45Å; G105-N108 PolarHBondContact O-N 3.29Å; G105-E109 PolarHBondContact O-N 2.9Å; G105-E109 VanDerWaalsContact O-N 3.07Å
106A62.4Low74.5Confident56 Ų5697.1 Ų97.146%0.46351%0.511SS..Hα-helixtrans-63-41.7177.600000111.7L102 D103 N108 E109 E110L102-A106 PolarHBondContact O-N 3.37Å; D103-A106 PolarHBondContact O-N 3.42Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 3.33Å; A106-E109 PolarHBondContact O-N 3.31Å; A106-E110 PolarHBondContact O-N 2.9Å
107G60.3Low73.3Confident27 Ų2792.7 Ų92.728%0.27851%0.513SS..Hα-helixtrans-64.9-35.3175.100000112.7D103 G105 E110 R111D103-G107 PolarHBondContact O-N 2.77Å; G105-G107 VanDerWaalsContact C-N 3.35Å; G105-G107 PolarHBondContact O-N 3.45Å; G107-E110 PolarHBondContact O-N 3.2Å; G107-R111 VanDerWaalsContact O-CB 3.29Å; G107-R111 WeakPolarHBondContact O-CB 3.36Å; G107-R111 WeakPolarHBondContact O-CG 3.19Å; G107-R111 PolarHBondContact O-N 3.42Å
108N64Low72.3Confident97 Ų9794.2 Ų94.252%0.51952%0.522SS..Hα-helixtrans-67.4-41.2174.4-88.2-9.9000112.1E104 G105 A106 R111 L112E104-N108 WeakPolarHBondContact O-CB 3.36Å; E104-N108 PolarHBondContact O-N 2.95Å; G105-N108 PolarHBondContact O-N 3.29Å; A106-N108 VanDerWaalsContact C-N 3.33Å; A106-N108 PolarHBondContact O-N 3.33Å; N108-R111 PolarHBondContact O-N 3.25Å; N108-L112 VanDerWaalsContact O-CB 3.26Å; N108-L112 WeakPolarHBondContact O-CB 3.3Å; N108-L112 WeakPolarHBondContact O-CD1 3.08Å; N108-L112 WeakPolarHBondContact O-CG 3.46Å; N108-L112 PolarHBondContact O-N 2.69Å
109E63.1Low71.5Confident146 Ų14696 Ų9668%0.68253%0.531SS*.Hα-helixtrans-61.7-44.3173.5-73.1-173165.500111.6G105 A106 L112 A113G105-E109 PolarHBondContact O-N 2.9Å; G105-E109 VanDerWaalsContact O-N 3.07Å; A106-E109 PolarHBondContact O-N 3.31Å; E109-L112 PolarHBondContact O-N 3.46Å; E109-A113 WeakPolarHBondContact O-CB 3.29Å; E109-A113 PolarHBondContact O-N 3.38Å
110E61.4Low70Confident149 Ų14994.6 Ų94.670%0.69654%0.539SS*.Hα-helixtrans-65.6-39.5177.4-167.7175.3-163.900111.9A106 G107 A113 C114A106-E110 PolarHBondContact O-N 2.9Å; G107-E110 PolarHBondContact O-N 3.2Å; E110-A113 PolarHBondContact O-N 2.82Å; E110-C114 VanDerWaalsContact O-CB 3.3Å; E110-C114 WeakPolarHBondContact O-CB 3.41Å; E110-C114 PolarHBondContact O-N 3.29Å
111R56.9Low68.6Low182 Ų18294.7 Ų94.769%0.68754%0.541SS*.Hα-helixtrans-67.5-40.3174.3-73.6177.4103.8-177.47.5112.2G107 N108 C114 T115G107-R111 VanDerWaalsContact O-CB 3.29Å; G107-R111 WeakPolarHBondContact O-CB 3.36Å; G107-R111 WeakPolarHBondContact O-CG 3.19Å; G107-R111 PolarHBondContact O-N 3.42Å; N108-R111 PolarHBondContact O-N 3.25Å; R111-C114 PolarHBondContact O-N 3.45Å; R111-T115 VanDerWaalsContact O-CB 3.3Å; R111-T115 WeakPolarHBondContact O-CB 3.32Å; R111-T115 PolarHBondContact O-N 2.85Å; R111-T115 PolarHBondContact O-OG1 2.99Å
112L61.8Low67.4Low110 Ų11099.2 Ų99.258%0.57656%0.557SS**Hα-helixtrans-60.7-48.4172.3-89.9149.5000109.9N108 E109 C114 T115 M116N108-L112 VanDerWaalsContact O-CB 3.26Å; N108-L112 WeakPolarHBondContact O-CB 3.3Å; N108-L112 WeakPolarHBondContact O-CD1 3.08Å; N108-L112 WeakPolarHBondContact O-CG 3.46Å; N108-L112 PolarHBondContact O-N 2.69Å; E109-L112 PolarHBondContact O-N 3.46Å; L112-C114 PolarHBondContact O-N 3.45Å; L112-T115 PolarHBondContact O-N 2.88Å; L112-M116 VanDerWaalsContact O-CB 3.29Å; L112-M116 WeakPolarHBondContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CG 3.44Å; L112-M116 PolarHBondContact O-N 3.24Å
113A69.2Low65.7Low65 Ų65100 Ų10054%0.53756%0.562SS.*Hα-helixtrans-60.1-44.2177.100000112.2E109 E110 M116 G117E109-A113 WeakPolarHBondContact O-CB 3.29Å; E109-A113 PolarHBondContact O-N 3.38Å; E110-A113 PolarHBondContact O-N 2.82Å; A113-M116 PolarHBondContact O-N 2.89Å; A113-G117 PolarHBondContact O-N 3.47Å
114C62Low64Low73 Ų73100.5 Ų100.549%0.49357%0.57SS.*Hα-helixtrans-63.4-45.5175.8-175.70000111.9E110 R111 L112 G117 Q118E110-C114 VanDerWaalsContact O-CB 3.3Å; E110-C114 WeakPolarHBondContact O-CB 3.41Å; E110-C114 PolarHBondContact O-N 3.29Å; R111-C114 PolarHBondContact O-N 3.45Å; L112-C114 PolarHBondContact O-N 3.45Å; C114-G117 PolarHBondContact O-N 2.96Å; C114-Q118 WeakPolarHBondContact O-CG 3.35Å; C114-Q118 PolarHBondContact O-N 2.78Å
115T59.5Low62.6Low71 Ų71100.1 Ų100.144%0.43657%0.572SS.*Hα-helixtrans-64.6-42.2178.4-53.60000111.1R111 L112 G117 Q118 L119R111-T115 VanDerWaalsContact O-CB 3.3Å; R111-T115 WeakPolarHBondContact O-CB 3.32Å; R111-T115 PolarHBondContact O-N 2.85Å; R111-T115 PolarHBondContact O-OG1 2.99Å; L112-T115 PolarHBondContact O-N 2.88Å; T115-G117 VanDerWaalsContact C-N 3.33Å; T115-G117 PolarHBondContact O-N 2.96Å; T115-Q118 PolarHBondContact O-N 3.25Å; T115-L119 HydrophobicContact CG2-CD1 4.09Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 WeakPolarHBondContact O-CG 3.38Å; T115-L119 PolarHBondContact O-N 2.88Å
116M72.3Confident61.1Low54 Ų54103.4 Ų103.427%0.26659%0.586SS.*Hα-helixtrans-63.1-40.4175.1-69.8-75.3-75.500111.2L112 A113 L119 G120 I121L112-M116 VanDerWaalsContact O-CB 3.29Å; L112-M116 WeakPolarHBondContact O-CB 3.3Å; L112-M116 WeakPolarHBondContact O-CG 3.44Å; L112-M116 PolarHBondContact O-N 3.24Å; A113-M116 PolarHBondContact O-N 2.89Å; M116-L119 CarbonylContact O-C 3.56Å; M116-L119 PolarHBondContact O-N 3.07Å; M116-G120 PolarHBondContact O-N 3.36Å; M116-I121 HydrophobicContact CE-CB 3.65Å; M116-I121 HydrophobicContact CE-CG2 3.31Å; M116-I121 PolarHBondContact O-N 2.79Å; M116-I121 HydrophobicContact SD-CB 3.79Å; M116-I121 HydrophobicContact SD-CD1 4.17Å; M116-I121 HydrophobicContact SD-CG2 3.91Å
117G67.9Low60.6Low61 Ų61105.3 Ų105.363%0.62960%0.596SS**Hα-helixtrans-62.6-42.1173.200000113.1A113 C114 T115 L119 G120A113-G117 PolarHBondContact O-N 3.47Å; C114-G117 PolarHBondContact O-N 2.96Å; T115-G117 VanDerWaalsContact C-N 3.33Å; T115-G117 PolarHBondContact O-N 2.96Å; G117-L119 VanDerWaalsContact C-N 3.32Å; G117-L119 PolarHBondContact O-N 3.39Å; G117-G120 PolarHBondContact O-N 2.96Å
118Q70.3Confident59.7Low153 Ų153112.8 Ų112.872%0.71562%0.623SS**Hα-helixtrans-66.8-32175.8-74.4-179.5-32.500112.9C114 T115C114-Q118 WeakPolarHBondContact O-CG 3.35Å; C114-Q118 PolarHBondContact O-N 2.78Å; T115-Q118 PolarHBondContact O-N 3.25Å
119L73.1Confident58.7Low117 Ų117113 Ų11361%0.61363%0.628SS**Hα-helixtrans-89.5-3.7177.8-63.7178000113.4T115 M116 G117 I121T115-L119 HydrophobicContact CG2-CD1 4.09Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 WeakPolarHBondContact O-CG 3.38Å; T115-L119 PolarHBondContact O-N 2.88Å; M116-L119 CarbonylContact O-C 3.56Å; M116-L119 PolarHBondContact O-N 3.07Å; G117-L119 VanDerWaalsContact C-N 3.32Å; G117-L119 PolarHBondContact O-N 3.39Å; L119-I121 HydrophobicContact CB-CD1 3.85Å; L119-I121 HydrophobicContact CB-CG1 3.87Å; L119-I121 HydrophobicContact CD1-CD1 4.13Å; L119-I121 PolarHBondContact O-N 3.22Å
120G61.8Low58.1Low63 Ų63112 Ų11265%0.64963%0.632SS**THydrogen-bonded Turntrans65.721.6-177.900000114M116 G117M116-G120 PolarHBondContact O-N 3.36Å; G117-G120 PolarHBondContact O-N 2.96Å
121I61.4Low57.3Low89 Ų89111.6 Ų111.646%0.45664%0.635SS.*  trans-90.1118.9-179.6-52.5172.5000107.9M116 L119M116-I121 HydrophobicContact CE-CB 3.65Å; M116-I121 HydrophobicContact CE-CG2 3.31Å; M116-I121 PolarHBondContact O-N 2.79Å; M116-I121 HydrophobicContact SD-CB 3.79Å; M116-I121 HydrophobicContact SD-CD1 4.17Å; M116-I121 HydrophobicContact SD-CG2 3.91Å; L119-I121 HydrophobicContact CB-CD1 3.85Å; L119-I121 HydrophobicContact CB-CG1 3.87Å; L119-I121 HydrophobicContact CD1-CD1 4.13Å; L119-I121 PolarHBondContact O-N 3.22Å
122Q62Low56.8Low167 Ų167111.6 Ų111.678%0.7864%0.642SS**  trans-76.7135.5176.4-57-179.834.500109.3T124Q122-T124 PolarHBondContact O-N 3.31Å; Q122-T124 VanDerWaalsContact O-N 3.1Å
123N52.5Low56Low123 Ų123114 Ų11466%0.65866%0.656SS**  trans-67.4108.1176.8-167.510.5000109.1L125N123-L125 VanDerWaalsContact C-N 3.33Å
124T54.4Low54.8Low128 Ų128114.2 Ų114.279%0.78566%0.664SS**  trans-93.113.2-179.253.90000113.2Q122Q122-T124 PolarHBondContact O-N 3.31Å; Q122-T124 VanDerWaalsContact O-N 3.1Å
125L48.2Very low54.1Low134 Ų134113.8 Ų113.870%0.70267%0.672SS**  trans-58.7124.9170.5-85166.8000109.2N123 S127N123-L125 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.32Å; L125-S127 VanDerWaalsContact O-N 3.13Å
126P39.7Very low53.5Low107 Ų107115.8 Ų115.870%0.69569%0.689SS**  trans-59.7122.1-178.1-16.927.5000108.8H128P126-H128 PolarHBondContact O-N 3.47Å
127S50.3Low52.3Low96 Ų96121.4 Ų121.467%0.67172%0.719SS**  trans-55.4110.4163.652.20000106.9L125 T129L125-S127 PolarHBondContact O-N 3.32Å; L125-S127 VanDerWaalsContact O-N 3.13Å; S127-T129 PolarHBondContact O-N 2.97Å
128H43.1Very low51.4Low183 Ų183127.3 Ų127.385%0.84773%0.73SS**  trans-59.992.6162.3-86.4-88.2000106.5P126 V130P126-H128 PolarHBondContact O-N 3.47Å; H128-V130 PolarHBondContact O-N 3.49Å; H128-V130 VanDerWaalsContact O-N 3.14Å
129T41.6Very low50.7Low101 Ų101128.4 Ų128.462%0.6277%0.765SS**  trans-67.4110.2165.344.90000105.5S127 D131S127-T129 PolarHBondContact O-N 2.97Å; T129-D131 PolarHBondContact O-N 3.28Å
130V50Low49.6Very low126 Ų126129 Ų12976%0.76477%0.773SS**  trans-60.8104.81661780000105.5H128 H132H128-V130 PolarHBondContact O-N 3.49Å; H128-V130 VanDerWaalsContact O-N 3.14Å; V130-H132 PolarHBondContact O-N 3.22Å
131D45.4Very low49Very low140 Ų140132.4 Ų132.475%0.74978%0.779SS**  trans-61.3104.1171.1-73.5-40.8000107.3T129 D133T129-D131 PolarHBondContact O-N 3.28Å; D131-D133 PolarHBondContact O-N 2.97Å
132H46.8Very low48.3Very low183 Ų183134.8 Ų134.885%0.84780%0.797SS**  trans-70.388.2168.2-113-52.8000106.8V130 G134V130-H132 PolarHBondContact O-N 3.22Å; H132-G134 PolarHBondContact O-N 3.13Å
133D45Very low47.5Very low161 Ų161132.9 Ų132.986%0.86180%0.798SS**  trans-70.287.1172.8-134.50.5000107.9D131 G135D131-D133 PolarHBondContact O-N 2.97Å; D133-G135 PolarHBondContact O-N 3.1Å
134G44.1Very low47.2Very low68 Ų68133.6 Ų133.670%0.70181%0.807SS**  trans-71.976173.500000109.9H132 S136H132-G134 PolarHBondContact O-N 3.13Å; G134-S136 VanDerWaalsContact C-N 3.31Å; G134-S136 PolarHBondContact O-N 3.05Å
135G46.7Very low46.7Very low65 Ų65133.9 Ų133.967%0.6781%0.809SS**  trans-6787.7168.200000110.6D133 L137D133-G135 PolarHBondContact O-N 3.1Å; G135-L137 PolarHBondContact O-N 3.14Å; G135-L137 VanDerWaalsContact O-N 3.13Å
136S46.7Very low46.6Very low112 Ų112133.9 Ų133.978%0.78382%0.816SS**  trans-62.6106.2165.9-98.70000109.5G134 Q138G134-S136 VanDerWaalsContact C-N 3.31Å; G134-S136 PolarHBondContact O-N 3.05Å; S136-Q138 PolarHBondContact O-N 3.32Å; S136-Q138 VanDerWaalsContact O-N 3.16Å
137L46.8Very low47.1Very low173 Ų173136 Ų13691%0.90683%0.826SS**  trans-65.7106.5160.5-79.698.6000108.2G135G135-L137 PolarHBondContact O-N 3.14Å; G135-L137 VanDerWaalsContact O-N 3.13Å
138Q49.2Very low46.9Very low184 Ų184139.3 Ų139.386%0.8684%0.838SS**  trans-82.7134.2160.6-70.3-174.126.500108.8S136S136-Q138 PolarHBondContact O-N 3.32Å; S136-Q138 VanDerWaalsContact O-N 3.16Å
139A56.9Low47.2Very low176 Ų176135.4 Ų135.4100%1.45584%0.838SS**  trans-63.60177.900000113.4

Retrieved 139 of 139 residues in 130.5 ms (Link to these results)

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