A0A096NU44_PAPAN Loading...

mitogen-activated protein kinase kinase

AlphaFold DB (A0A024R8K3), UniProt , Accession A0A096NU44, Species PAPAN (Papio anubis, Olive baboon), Gene MAP2K6, Length 278 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
1M75.9Confident73.3Confident166 Ų16674.9 Ų74.982%0.81842%0.415SS*.  0127.30178.3-174.417600107.2L3 E12 K13M1-L3 PolarHBondContact O-N 2.71Å; M1-E12 CarbonylContact O-C 3.56Å; M1-E12 WeakPolarHBondContact O-CA 2.99Å; M1-K13 HydrophobicContact CB-CB 4.45Å; M1-K13 PolarHBondContact N-O 2.96Å; M1-K13 PolarHBondContact O-N 2.87Å
2E84.8Confident74.8Confident85 Ų8572.8 Ų72.840%0.39740%0.4SS..EExtended strand (participates in β ladder)trans-67.9127.5177.2-168.5176.2120.800109.8R5 V10E2-R5 WeakPolarHBondContact OE1-CG 3.45Å; E2-R5 IonicContact OE1-CZ 2.74Å; E2-R5 IonicContact OE1-NE 3.81Å; E2-R5 PolarHBondContact OE1-NE 3.07Å; E2-R5 IonicContact OE1-NH2 3.77Å; E2-R5 IonicContact OE2-CZ 3.86Å; E2-R5 IonicContact OE2-NE 2.89Å; E2-R5 PolarHBondContact OE2-NE 3.18Å; E2-R5 IonicContact OE2-NH2 3.5Å; E2-R5 PolarHBondContact OE2-NH2 3.34Å; E2-V10 HydrophobicContact CG-CG1 3.59Å
3L79.9Confident76.3Confident53 Ų5374.2 Ų74.228%0.27740%0.4SS..EExtended strand (participates in β ladder)trans-95.9-29.6177.4-66.1173.5000111.5M1 V11 K13 A24 L75 K82M1-L3 PolarHBondContact O-N 2.71Å; L3-V11 HydrophobicContact CB-CB 4.48Å; L3-V11 HydrophobicContact CB-CG1 4.3Å; L3-V11 HydrophobicContact CD1-CG1 4.24Å; L3-V11 PolarHBondContact N-O 3.19Å; L3-K13 HydrophobicContact CD1-CB 3.95Å; L3-K13 HydrophobicContact CD2-CB 4.02Å; L3-K13 HydrophobicContact CG-CB 3.97Å; L3-A24 HydrophobicContact CD1-CB 4.04Å; L3-L75 HydrophobicContact CD1-CD1 3.45Å; L3-L75 VanDerWaalsContact CD1-CD1 3.45Å; L3-L75 HydrophobicContact CD2-CD1 4.48Å; L3-K82 PolarHBondContact O-NZ 3.35Å
4G73.5Confident77.6Confident19 Ų1972.5 Ų72.520%0.19639%0.389CS..EExtended strand (participates in β ladder)trans176168.8176.300000113V11G4-V11 PolarHBondContact N-O 3.5Å; G4-V11 PolarHBondContact O-N 3.37Å
5R73.1Confident78.8Confident181 Ų18177.9 Ų77.968%0.68340%0.402SS*.EExtended strand (participates in β ladder)trans-118.3123171.4-61.9-173178.6-152.6-8.6108.6E2 V10E2-R5 WeakPolarHBondContact OE1-CG 3.45Å; E2-R5 IonicContact OE1-CZ 2.74Å; E2-R5 IonicContact OE1-NE 3.81Å; E2-R5 PolarHBondContact OE1-NE 3.07Å; E2-R5 IonicContact OE1-NH2 3.77Å; E2-R5 IonicContact OE2-CZ 3.86Å; E2-R5 IonicContact OE2-NE 2.89Å; E2-R5 PolarHBondContact OE2-NE 3.18Å; E2-R5 IonicContact OE2-NH2 3.5Å; E2-R5 PolarHBondContact OE2-NH2 3.34Å; R5-V10 HydrophobicContact CG-CG2 4.28Å
6G63.3Low79.8Confident45 Ų4578.5 Ų78.546%0.46440%0.402SS..EExtended strand (participates in β ladder)trans-94.3176.3166.800000110.5Y8 G9G6-Y8 PolarHBondContact O-N 2.97Å; G6-G9 PolarHBondContact N-O 3.36Å; G6-G9 PolarHBondContact O-N 2.89Å
7A55.9Low80.8Confident94 Ų9481.3 Ų81.378%0.77742%0.423SS*.THydrogen-bonded Turntrans-57.2-23.1174.900000113.5
8Y60.9Low81.6Confident95 Ų9582.9 Ų82.937%0.37344%0.44SS..THydrogen-bonded Turntrans-112.7-3-169.5-50.7-63.8000114.4G6 V149G6-Y8 PolarHBondContact O-N 2.97Å; Y8-V149 HydrophobicContact CD1-CG2 3.99Å; Y8-V149 HydrophobicContact CE1-CB 4.36Å; Y8-V149 HydrophobicContact CE1-CG1 3.86Å; Y8-V149 HydrophobicContact CE1-CG2 3.83Å
9G69.9Low82.3Confident15 Ų1582.7 Ų82.716%0.15545%0.445CS..EExtended strand (participates in β ladder)trans164.1179.6-171.500000116G6 R27G6-G9 PolarHBondContact N-O 3.36Å; G6-G9 PolarHBondContact O-N 2.89Å; G9-R27 WeakPolarHBondContact CA-O 3.33Å
10V82.3Confident83Confident40 Ų4080 Ų8024%0.24244%0.437CS..EExtended strand (participates in β ladder)trans-103.6137.9179.3-174.50000109E2 R5 E12 R27E2-V10 HydrophobicContact CG-CG1 3.59Å; R5-V10 HydrophobicContact CG-CG2 4.28Å; V10-E12 HydrophobicContact CG1-CG 3.97Å; V10-R27 PolarHBondContact N-O 3.12Å; V10-R27 PolarHBondContact O-N 3.05Å
11V87.1Confident83.5Confident31 Ų3180.2 Ų80.219%0.18844%0.436CS..EExtended strand (participates in β ladder)trans-106.9127.1172.4-173.10000108.5L3 G4 A24 V25 K26L3-V11 HydrophobicContact CB-CB 4.48Å; L3-V11 HydrophobicContact CB-CG1 4.3Å; L3-V11 HydrophobicContact CD1-CG1 4.24Å; L3-V11 PolarHBondContact N-O 3.19Å; G4-V11 PolarHBondContact N-O 3.5Å; G4-V11 PolarHBondContact O-N 3.37Å; V11-A24 HydrophobicContact CG1-CB 4.13Å; V11-V25 CarbonylContact C-O 3.6Å; V11-V25 WeakPolarHBondContact CA-O 3.37Å; V11-K26 HydrophobicContact CG2-CB 4.05Å; V11-K26 HydrophobicContact CG2-CD 4.37Å; V11-K26 HydrophobicContact CG2-CG 3.99Å
12E91.4Very high84.5Confident49 Ų4975.1 Ų75.123%0.22941%0.411CS..EExtended strand (participates in β ladder)trans-125.3141-178-59.5-173.190.900111.8M1 V10 M14 A24 V25M1-E12 CarbonylContact O-C 3.56Å; M1-E12 WeakPolarHBondContact O-CA 2.99Å; V10-E12 HydrophobicContact CG1-CG 3.97Å; E12-M14 HydrophobicContact CB-CE 3.85Å; E12-M14 HydrophobicContact CB-CG 4.34Å; E12-M14 HydrophobicContact CG-CE 4.4Å; E12-M14 PolarHBondContact O-N 3.36Å; E12-M14 VanDerWaalsContact OE2-CE 3.3Å; E12-M14 WeakPolarHBondContact OE2-CE 3.3Å; E12-A24 CarbonylContact O-C 3.52Å; E12-V25 PolarHBondContact N-O 3.22Å; E12-V25 PolarHBondContact O-N 2.99Å
13K94.1Very high85Confident91 Ų9172 Ų7240%0.39640%0.397SS..EExtended strand (participates in β ladder)trans-74.1121.3166.8-174.3171.9-178.81700108.9M1 L3 I22 M23 L75M1-K13 HydrophobicContact CB-CB 4.45Å; M1-K13 PolarHBondContact N-O 2.96Å; M1-K13 PolarHBondContact O-N 2.87Å; L3-K13 HydrophobicContact CD1-CB 3.95Å; L3-K13 HydrophobicContact CD2-CB 4.02Å; L3-K13 HydrophobicContact CG-CB 3.97Å; K13-I22 HydrophobicContact CD-CG2 4.31Å; K13-I22 VanDerWaalsContact CE-CG2 3.49Å; K13-I22 HydrophobicContact CG-CG2 3.91Å; K13-M23 WeakPolarHBondContact CA-O 3.49Å; K13-L75 HydrophobicContact CD-CD2 3.83Å; K13-L75 VanDerWaalsContact CE-CD2 3.45Å; K13-L75 HydrophobicContact CG-CD1 4.43Å; K13-L75 HydrophobicContact CG-CD2 4.04Å
14M94.8Very high85.6Confident51 Ų5169.8 Ų69.825%0.25139%0.386SS..EExtended strand (participates in β ladder)trans-129.7157.9179.5-60.1-161.5179.600111.4E12 I22 M23 V25 W70E12-M14 HydrophobicContact CB-CE 3.85Å; E12-M14 HydrophobicContact CB-CG 4.34Å; E12-M14 HydrophobicContact CG-CE 4.4Å; E12-M14 PolarHBondContact O-N 3.36Å; E12-M14 VanDerWaalsContact OE2-CE 3.3Å; E12-M14 WeakPolarHBondContact OE2-CE 3.3Å; M14-I22 WeakPolarHBondContact O-CA 3.37Å; M14-M23 PolarHBondContact N-O 3.08Å; M14-M23 PolarHBondContact O-N 2.83Å; M14-V25 HydrophobicContact CB-CG2 3.8Å; M14-V25 HydrophobicContact CE-CB 4.17Å; M14-V25 HydrophobicContact CE-CG1 4.22Å; M14-V25 HydrophobicContact CG-CB 4.03Å; M14-V25 HydrophobicContact CG-CG2 3.77Å; M14-V25 HydrophobicContact SD-CB 3.83Å; M14-V25 HydrophobicContact SD-CG1 4.05Å; M14-V25 HydrophobicContact SD-CG2 3.72Å; M14-W70 HydrophobicContact CE-CE3 4.34Å; M14-W70 HydrophobicContact CE-CH2 4Å; M14-W70 HydrophobicContact CE-CZ3 3.56Å; M14-W70 HydrophobicContact SD-CE3 4.39Å; M14-W70 HydrophobicContact SD-CZ3 3.73Å
15R95.7Very high86.4Confident153 Ų15369 Ų6958%0.57738%0.377SS*.EExtended strand (participates in β ladder)trans-112124.3171.7-176.5-175.5-66.6-89.39.5108.9V17 G20 Q21R15-V17 PolarHBondContact O-N 2.82Å; R15-V17 VanDerWaalsContact O-N 3.13Å; R15-G20 PolarHBondContact NH1-O 3.38Å; R15-Q21 CarbonylContact C-O 3.52Å; R15-Q21 WeakPolarHBondContact CA-O 3.39Å
16H94.9Very high87Confident88 Ų8860.6 Ų60.641%0.40735%0.346SS..  trans-71.1103.8165.8-177-121.6000108.5S19 G20 Q21 M23H16-S19 WeakPolarHBondContact ND1-CB 3.45Å; H16-S19 PolarHBondContact ND1-N 3.07Å; H16-S19 PolarHBondContact ND1-OG 3.1Å; H16-S19 PolarHBondContact O-N 3.35Å; H16-G20 WeakPolarHBondContact O-CA 3.42Å; H16-G20 PolarHBondContact O-N 3.41Å; H16-Q21 HydrophobicContact CB-CB 4.35Å; H16-Q21 PolarHBondContact N-O 3.14Å; H16-M23 HydrophobicContact CB-CE 3.78Å; H16-M23 HydrophobicContact CB-SD 4.31Å
17V95.3Very high88Confident126 Ų12661.6 Ų61.676%0.76434%0.336SS*.THydrogen-bonded Turntrans-54.5-45.8-172.1176.80000112.9R15 S19R15-V17 PolarHBondContact O-N 2.82Å; R15-V17 VanDerWaalsContact O-N 3.13Å; V17-S19 PolarHBondContact O-N 3.29Å
18P96.1Very high88.9Confident111 Ų11157.9 Ų57.972%0.72130%0.302SS*.THydrogen-bonded Turntrans-63.3-41.1-178.2-24.334.8000114.7
19S95.8Very high89.4Confident78 Ų7863.1 Ų63.155%0.54532%0.322SS..THydrogen-bonded Turntrans-96-10.2-178.269.30000113.9H16 V17 Q21H16-S19 WeakPolarHBondContact ND1-CB 3.45Å; H16-S19 PolarHBondContact ND1-N 3.07Å; H16-S19 PolarHBondContact ND1-OG 3.1Å; H16-S19 PolarHBondContact O-N 3.35Å; V17-S19 PolarHBondContact O-N 3.29Å; S19-Q21 PolarHBondContact O-N 3.35Å; S19-Q21 VanDerWaalsContact O-N 3.17Å; S19-Q21 VanDerWaalsContact OG-CB 3.24Å; S19-Q21 WeakPolarHBondContact OG-CB 3.37Å; S19-Q21 PolarHBondContact OG-N 2.98Å
20G95.1Very high89Confident28 Ų2863.7 Ų63.729%0.28933%0.325SS..  trans71-3.7-170.700000114.7R15 H16 I22R15-G20 PolarHBondContact NH1-O 3.38Å; H16-G20 WeakPolarHBondContact O-CA 3.42Å; H16-G20 PolarHBondContact O-N 3.41Å; G20-I22 PolarHBondContact O-N 3.42Å
21Q94.5Very high87.8Confident86 Ų8668.6 Ų68.640%0.40236%0.355SS..  trans-59.5129.6-176.4-17666.132.400111.1R15 H16 S19 M23 Y60R15-Q21 CarbonylContact C-O 3.52Å; R15-Q21 WeakPolarHBondContact CA-O 3.39Å; H16-Q21 HydrophobicContact CB-CB 4.35Å; H16-Q21 PolarHBondContact N-O 3.14Å; S19-Q21 PolarHBondContact O-N 3.35Å; S19-Q21 VanDerWaalsContact O-N 3.17Å; S19-Q21 VanDerWaalsContact OG-CB 3.24Å; S19-Q21 WeakPolarHBondContact OG-CB 3.37Å; S19-Q21 PolarHBondContact OG-N 2.98Å; Q21-M23 HydrophobicContact CB-CG 4.42Å; Q21-M23 HydrophobicContact CG-CG 3.72Å; Q21-M23 HydrophobicContact CG-SD 4.2Å; Q21-Y60 HydrophobicContact CG-CE2 4.31Å; Q21-Y60 PolarHBondContact NE2-OH 3.19Å
22I95.8Very high86.3Confident58 Ų5868.3 Ų68.330%0.29735%0.353SS..EExtended strand (participates in β ladder)trans-90133.3171.6-54.7-178.4000108.2K13 M14 G20 L75K13-I22 HydrophobicContact CD-CG2 4.31Å; K13-I22 VanDerWaalsContact CE-CG2 3.49Å; K13-I22 HydrophobicContact CG-CG2 3.91Å; M14-I22 WeakPolarHBondContact O-CA 3.37Å; G20-I22 PolarHBondContact O-N 3.42Å; I22-L75 HydrophobicContact CG2-CD2 3.6Å
23M94.6Very high84.5Confident20 Ų2074.1 Ų74.110%0.09939%0.386CS..EExtended strand (participates in β ladder)trans-138.8156.6-172-51.6-174.6-57.800110.6K13 M14 H16 Q21 Y60 C72 M73K13-M23 WeakPolarHBondContact CA-O 3.49Å; M14-M23 PolarHBondContact N-O 3.08Å; M14-M23 PolarHBondContact O-N 2.83Å; H16-M23 HydrophobicContact CB-CE 3.78Å; H16-M23 HydrophobicContact CB-SD 4.31Å; Q21-M23 HydrophobicContact CB-CG 4.42Å; Q21-M23 HydrophobicContact CG-CG 3.72Å; Q21-M23 HydrophobicContact CG-SD 4.2Å; M23-Y60 HydrophobicContact CB-CD2 4.23Å; M23-Y60 HydrophobicContact CB-CE2 4.2Å; M23-Y60 HydrophobicContact CG-CD2 3.68Å; M23-Y60 HydrophobicContact CG-CE2 3.61Å; M23-Y60 HydrophobicContact SD-CD2 3.35Å; M23-Y60 WeakPolarHBondContact SD-CD2 3.34Å; M23-Y60 HydrophobicContact SD-CE2 3.89Å; M23-Y60 HydrophobicContact SD-CG 4.16Å; M23-C72 HydrophobicContact CE-CB 4.23Å; M23-C72 HydrophobicContact SD-CB 4.36Å; M23-M73 WeakPolarHBondContact CA-O 3.31Å; M23-M73 WeakPolarHBondContact CB-O 3.43Å
24A93.2Very high82.9Confident6 Ų671.9 Ų71.95%0.0538%0.382CS..EExtended strand (participates in β ladder)trans-90.5134.4160.200000108.9L3 V11 E12 M73 L75L3-A24 HydrophobicContact CD1-CB 4.04Å; V11-A24 HydrophobicContact CG1-CB 4.13Å; E12-A24 CarbonylContact O-C 3.52Å; A24-M73 HydrophobicContact CB-CG 3.78Å; A24-M73 PolarHBondContact N-O 3.26Å; A24-M73 WeakPolarHBondContact O-CG 3.46Å; A24-M73 PolarHBondContact O-N 3.1Å; A24-L75 HydrophobicContact CB-CD1 4.1Å
25V90.9Very high81.5Confident3 Ų377.8 Ų77.82%0.01841%0.408CS..EExtended strand (participates in β ladder)trans-122.7112.9179.8179.70000108.9V11 E12 M14 W70 I71V11-V25 CarbonylContact C-O 3.6Å; V11-V25 WeakPolarHBondContact CA-O 3.37Å; E12-V25 PolarHBondContact N-O 3.22Å; E12-V25 PolarHBondContact O-N 2.99Å; M14-V25 HydrophobicContact CB-CG2 3.8Å; M14-V25 HydrophobicContact CE-CB 4.17Å; M14-V25 HydrophobicContact CE-CG1 4.22Å; M14-V25 HydrophobicContact CG-CB 4.03Å; M14-V25 HydrophobicContact CG-CG2 3.77Å; M14-V25 HydrophobicContact SD-CB 3.83Å; M14-V25 HydrophobicContact SD-CG1 4.05Å; M14-V25 HydrophobicContact SD-CG2 3.72Å; V25-W70 HydrophobicContact CG1-CB 4.25Å; V25-W70 HydrophobicContact CG1-CD2 4.23Å; V25-W70 HydrophobicContact CG1-CE3 3.59Å; V25-W70 HydrophobicContact CG1-CZ3 4.29Å; V25-I71 CarbonylContact C-O 3.59Å; V25-I71 VanDerWaalsContact CA-O 3.28Å; V25-I71 WeakPolarHBondContact CA-O 3.42Å
26K85.7Confident79.9Confident5 Ų577.7 Ų77.72%0.02242%0.415CS..EExtended strand (participates in β ladder)trans-93.1119176.2-178.7175.1-172.9175.50109.8V11 I28 W70 I71 M73 D141V11-K26 HydrophobicContact CG2-CB 4.05Å; V11-K26 HydrophobicContact CG2-CD 4.37Å; V11-K26 HydrophobicContact CG2-CG 3.99Å; K26-I28 HydrophobicContact CD-CG1 4.49Å; K26-I28 HydrophobicContact CG-CG1 4.17Å; K26-W70 WeakPolarHBondContact O-CA 3.36Å; K26-I71 HydrophobicContact CB-CB 4.28Å; K26-I71 PolarHBondContact N-O 3.14Å; K26-I71 PolarHBondContact O-N 2.95Å; K26-M73 HydrophobicContact CB-CE 3.44Å; K26-M73 VanDerWaalsContact CB-CE 3.44Å; K26-M73 HydrophobicContact CD-CE 4.38Å; K26-D141 IonicContact NZ-OD1 3.56Å; K26-D141 PolarHBondContact NZ-OD1 3.34Å; K26-D141 IonicContact NZ-OD2 2.68Å; K26-D141 PolarHBondContact NZ-OD2 3.24Å
27R84Confident78.3Confident66 Ų6675.9 Ų75.925%0.24941%0.406CS..EExtended strand (participates in β ladder)trans-97.2110.4176.3-65.2-179.358.4172.24.2109.6G9 V10 D68 V69 W70G9-R27 WeakPolarHBondContact CA-O 3.33Å; V10-R27 PolarHBondContact N-O 3.12Å; V10-R27 PolarHBondContact O-N 3.05Å; R27-D68 IonicContact CZ-OD2 2.84Å; R27-D68 IonicContact NE-OD2 3.13Å; R27-D68 IonicContact NH2-OD2 2.95Å; R27-D68 PolarHBondContact NH2-OD2 3.16Å; R27-V69 CarbonylContact C-O 3.59Å; R27-V69 WeakPolarHBondContact CA-O 3.48Å; R27-W70 HydrophobicContact CG-CD2 3.93Å; R27-W70 HydrophobicContact CG-CE3 4.47Å; R27-W70 HydrophobicContact CG-CG 4.19Å; R27-W70 HydrophobicContact CG-CZ2 4.24Å
28I75.3Confident76.8Confident15 Ų1574.5 Ų74.58%0.07739%0.39CS..EExtended strand (participates in β ladder)trans-98.9121.5174.5-56.2179.3000107.4K26 A30 D68 V69 I71 I144 L148K26-I28 HydrophobicContact CD-CG1 4.49Å; K26-I28 HydrophobicContact CG-CG1 4.17Å; I28-A30 PolarHBondContact O-N 3.31Å; I28-A30 VanDerWaalsContact O-N 3.1Å; I28-D68 WeakPolarHBondContact O-CA 3.48Å; I28-V69 HydrophobicContact CB-CB 4.39Å; I28-V69 PolarHBondContact N-O 3.11Å; I28-V69 PolarHBondContact O-N 3.21Å; I28-I71 HydrophobicContact CD1-CD1 3.56Å; I28-I71 HydrophobicContact CG1-CD1 4.32Å; I28-I144 HydrophobicContact CD1-CG2 4.3Å; I28-L148 HydrophobicContact CD1-CD1 4.1Å; I28-L148 HydrophobicContact CG2-CD1 4.45Å
29R70.3Confident75.3Confident206 Ų20677.6 Ų77.678%0.77739%0.388SS*.EExtended strand (participates in β ladder)trans-63.2115.1173.1-77.6-173.2179.5179.10.4108.6T31 D68R29-T31 PolarHBondContact O-N 2.89Å; R29-D68 WeakPolarHBondContact CA-OD1 3.31Å
30A63.2Low73.8Confident27 Ų2777.8 Ų77.822%0.22338%0.382CS..  trans-84.1103.5174.600000107.4I28 V32 G67 V69I28-A30 PolarHBondContact O-N 3.31Å; I28-A30 VanDerWaalsContact O-N 3.1Å; A30-V32 HydrophobicContact CB-CB 3.7Å; A30-V32 HydrophobicContact CB-CG2 3.96Å; A30-V32 PolarHBondContact O-N 2.95Å; A30-V32 VanDerWaalsContact O-N 3.1Å; A30-G67 WeakPolarHBondContact CB-O 3.14Å; A30-G67 PolarHBondContact N-O 2.95Å; A30-V69 HydrophobicContact CB-CG2 4.23Å
31T56.2Low72.5Confident142 Ų14276.9 Ų76.987%0.87137%0.37SS*.  trans-71.619.7153.849.10000111.2R29R29-T31 PolarHBondContact O-N 2.89Å
32V54.5Low71Confident25 Ų2578 Ų7815%0.15238%0.377CS..  trans-11097.6-148.6171.80000109.1A30 Q37A30-V32 HydrophobicContact CB-CB 3.7Å; A30-V32 HydrophobicContact CB-CG2 3.96Å; A30-V32 PolarHBondContact O-N 2.95Å; A30-V32 VanDerWaalsContact O-N 3.1Å; V32-Q37 HydrophobicContact CG1-CB 3.47Å; V32-Q37 VanDerWaalsContact CG1-CB 3.47Å; V32-Q37 HydrophobicContact CG1-CG 4.17Å
33N53.7Low69.5Low172 Ų17279 Ų7992%0.9238%0.383SS*.  trans-97.92-179.2-93.8-6.7000114.4
34S61.8Low68.1Low43 Ų4379.2 Ų79.230%0.30138%0.384SS..  trans-95.8135.6-177.171.50000113.2E36 Q37S34-E36 PolarHBondContact O-N 3.13Å; S34-Q37 PolarHBondContact O-N 3.4Å
35Q64.3Low66.8Low175 Ų17579.9 Ų79.982%0.81839%0.387SS*.Hα-helixtrans-58.2-28.8173.5-77.2179.2-14.100112.6K38 R39Q35-K38 PolarHBondContact O-N 3.16Å; Q35-R39 PolarHBondContact O-N 3.02Å; Q35-R39 VanDerWaalsContact O-N 3.08Å
36E62.5Low65.4Low151 Ų15184.7 Ų84.771%0.70641%0.412SS*.Hα-helixtrans-65.7-42179.4-66.4177.8158.600112.8S34 K38 R39 L40S34-E36 PolarHBondContact O-N 3.13Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.41Å; E36-R39 PolarHBondContact O-N 3.28Å; E36-L40 PolarHBondContact O-N 3.48Å
37Q62Low64.3Low50 Ų5086.7 Ų86.723%0.23443%0.426CS..Hα-helixtrans-69.6-30.9177.3-75.6-178.1-44.600112.2V32 S34 L41 L148V32-Q37 HydrophobicContact CG1-CB 3.47Å; V32-Q37 VanDerWaalsContact CG1-CB 3.47Å; V32-Q37 HydrophobicContact CG1-CG 4.17Å; S34-Q37 PolarHBondContact O-N 3.4Å; Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 2.99Å; Q37-L41 VanDerWaalsContact O-N 3.14Å; Q37-L148 HydrophobicContact CB-CD2 4.42Å
38K64.3Low63.4Low97 Ų9784.3 Ų84.342%0.42242%0.418SS..Hα-helixtrans-65.5-40.6171.2-63.5-170.7177.4176.20112Q35 E36 L41 M42 F64Q35-K38 PolarHBondContact O-N 3.16Å; E36-K38 VanDerWaalsContact C-N 3.32Å; E36-K38 PolarHBondContact O-N 3.41Å; K38-L41 PolarHBondContact O-N 3.24Å; K38-M42 WeakPolarHBondContact O-CG 3.27Å; K38-M42 PolarHBondContact O-N 3.29Å; K38-M42 VanDerWaalsContact O-N 3.1Å; K38-F64 HydrophobicContact CB-CE2 4.39Å; K38-F64 HydrophobicContact CB-CZ 3.94Å; K38-F64 HydrophobicContact CD-CE1 4.3Å; K38-F64 HydrophobicContact CD-CZ 4.33Å; K38-F64 HydrophobicContact CG-CE1 3.8Å; K38-F64 HydrophobicContact CG-CE2 4.35Å; K38-F64 HydrophobicContact CG-CZ 3.65Å
39R64.8Low62.8Low177 Ų17790.1 Ų90.167%0.66844%0.439SS*.Hα-helixtrans-65.9-44177.3-169.2176.1-179.5173.41.1111.8Q35 E36 L41 M42 D43Q35-R39 PolarHBondContact O-N 3.02Å; Q35-R39 VanDerWaalsContact O-N 3.08Å; E36-R39 PolarHBondContact O-N 3.28Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 2.58Å; R39-M42 PolarHBondContact O-N 3.48Å; R39-M42 VanDerWaalsContact O-N 3.11Å; R39-D43 VanDerWaalsContact O-CG 3.31Å; R39-D43 PolarHBondContact O-N 3.28Å
40L64.2Low62.1Low81 Ų8185.4 Ų85.442%0.42443%0.433SS..Hα-helixtrans-57.1-42.6173.8-79163.7000112.5E36 D43 L44E36-L40 PolarHBondContact O-N 3.48Å; L40-D43 PolarHBondContact O-N 2.95Å; L40-L44 VanDerWaalsContact O-CB 3.23Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 PolarHBondContact O-N 2.91Å
41L66.4Low62.1Low9 Ų985.9 Ų85.95%0.04743%0.433CS..Hα-helixtrans-64.4-38.6176.1-78.6166.8000112.6Q37 K38 R39 D45 F64 V69 I144 L148Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 2.99Å; Q37-L41 VanDerWaalsContact O-N 3.14Å; K38-L41 PolarHBondContact O-N 3.24Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 2.58Å; L41-D45 VanDerWaalsContact O-CB 3.24Å; L41-D45 WeakPolarHBondContact O-CB 3.31Å; L41-D45 PolarHBondContact O-N 3.29Å; L41-F64 HydrophobicContact CB-CZ 4.34Å; L41-F64 HydrophobicContact CD1-CE1 4.06Å; L41-F64 HydrophobicContact CD1-CZ 3.59Å; L41-V69 HydrophobicContact CD1-CB 4.4Å; L41-V69 HydrophobicContact CD1-CG1 3.89Å; L41-V69 HydrophobicContact CD1-CG2 3.63Å; L41-V69 HydrophobicContact CD2-CG1 4.26Å; L41-I144 HydrophobicContact CD2-CG2 3.45Å; L41-I144 VanDerWaalsContact CD2-CG2 3.45Å; L41-L148 HydrophobicContact CD1-CD2 4.14Å; L41-L148 HydrophobicContact CD2-CD1 4.17Å; L41-L148 HydrophobicContact CG-CD2 4.32Å
42M64.2Low63Low109 Ų10986 Ų8654%0.53743%0.429SS..Hα-helixtrans-69.2-42.7176-72.5177.1175.100112.3K38 R39 L44 D45 I46K38-M42 WeakPolarHBondContact O-CG 3.27Å; K38-M42 PolarHBondContact O-N 3.29Å; K38-M42 VanDerWaalsContact O-N 3.1Å; R39-M42 PolarHBondContact O-N 3.48Å; R39-M42 VanDerWaalsContact O-N 3.11Å; M42-L44 VanDerWaalsContact C-N 3.27Å; M42-L44 PolarHBondContact O-N 3.31Å; M42-D45 WeakPolarHBondContact O-CB 3.39Å; M42-D45 PolarHBondContact O-N 2.91Å; M42-I46 VanDerWaalsContact O-CG1 3.3Å; M42-I46 WeakPolarHBondContact O-CG1 3.19Å; M42-I46 PolarHBondContact O-N 3.17Å
43D64.5Low64.6Low80 Ų8085.1 Ų85.143%0.42842%0.424SS..Hα-helixtrans-65-36.6178.4-67.2-20.3000110.9R39 L40 S47R39-D43 VanDerWaalsContact O-CG 3.31Å; R39-D43 PolarHBondContact O-N 3.28Å; L40-D43 PolarHBondContact O-N 2.95Å; D43-S47 WeakPolarHBondContact O-CB 3.3Å; D43-S47 PolarHBondContact O-N 3.32Å; D43-S47 PolarHBondContact O-OG 3.36Å
44L64.8Low66.5Low24 Ų2481 Ų8113%0.12641%0.406CS..Hα-helixtrans-72.1-39.7175.5-17052.1000112.3L40 M42 I46 S47 M48 I144L40-L44 VanDerWaalsContact O-CB 3.23Å; L40-L44 WeakPolarHBondContact O-CB 3.35Å; L40-L44 PolarHBondContact O-N 2.91Å; M42-L44 VanDerWaalsContact C-N 3.27Å; M42-L44 PolarHBondContact O-N 3.31Å; L44-I46 PolarHBondContact O-N 2.94Å; L44-S47 PolarHBondContact O-N 3.19Å; L44-M48 HydrophobicContact CD1-CE 3.63Å; L44-M48 HydrophobicContact CD1-CG 4.2Å; L44-M48 HydrophobicContact CD2-CE 4.19Å; L44-M48 HydrophobicContact CG-CE 3.8Å; L44-M48 HydrophobicContact CG-CG 4.5Å; L44-M48 HydrophobicContact CG-SD 4.49Å; L44-M48 WeakPolarHBondContact O-CB 3.26Å; L44-M48 VanDerWaalsContact O-CG 3.28Å; L44-M48 WeakPolarHBondContact O-CG 3.26Å; L44-M48 PolarHBondContact O-N 3.32Å; L44-I144 HydrophobicContact CD2-CB 4Å; L44-I144 HydrophobicContact CD2-CG1 3.27Å; L44-I144 HydrophobicContact CG-CG1 3.89Å
45D65.7Low68.1Low20 Ų2081.2 Ų81.211%0.10740%0.402CS..Hα-helixtrans-56.1-48.7171.2177.721.8000111.4L41 M42 S47 M48 R49 F59L41-D45 VanDerWaalsContact O-CB 3.24Å; L41-D45 WeakPolarHBondContact O-CB 3.31Å; L41-D45 PolarHBondContact O-N 3.29Å; M42-D45 WeakPolarHBondContact O-CB 3.39Å; M42-D45 PolarHBondContact O-N 2.91Å; D45-S47 VanDerWaalsContact C-N 3.34Å; D45-S47 PolarHBondContact O-N 2.85Å; D45-M48 PolarHBondContact O-N 2.65Å; D45-R49 VanDerWaalsContact CG-NH2 3.25Å; D45-R49 WeakPolarHBondContact O-CG 3.47Å; D45-R49 PolarHBondContact O-N 3.28Å; D45-R49 IonicContact OD1-CZ 2.67Å; D45-R49 IonicContact OD1-NE 3.48Å; D45-R49 PolarHBondContact OD1-NE 2.76Å; D45-R49 IonicContact OD1-NH2 3.63Å; D45-R49 PolarHBondContact OD1-NH2 3.14Å; D45-R49 IonicContact OD2-CZ 3.58Å; D45-R49 IonicContact OD2-NE 2.74Å; D45-R49 IonicContact OD2-NH2 2.9Å; D45-R49 PolarHBondContact OD2-NH2 3.07Å; D45-F59 HydrophobicContact CB-CE1 4.14Å; D45-F59 WeakPolarHBondContact OD1-CE1 3.32Å
46I61.2Low69.4Low105 Ų10573.4 Ų73.454%0.53837%0.366SS..Hα-helixtrans-61.7-43.7177.3-66.5164.6000111.1M42 L44 M48 R49 T50M42-I46 VanDerWaalsContact O-CG1 3.3Å; M42-I46 WeakPolarHBondContact O-CG1 3.19Å; M42-I46 PolarHBondContact O-N 3.17Å; L44-I46 PolarHBondContact O-N 2.94Å; I46-M48 VanDerWaalsContact C-N 3.35Å; I46-M48 PolarHBondContact O-N 3.31Å; I46-R49 PolarHBondContact O-N 2.92Å; I46-T50 WeakPolarHBondContact O-CG2 3.28Å; I46-T50 PolarHBondContact O-N 3Å; I46-T50 PolarHBondContact O-OG1 2.7Å; I46-T50 VanDerWaalsContact O-OG1 3.08Å
47S61.8Low70.7Confident47 Ų4766.5 Ų66.533%0.32933%0.334SS..Hα-helixtrans-67-35.9-179.4-58.10000112.2D43 L44 D45 T50 V51D43-S47 WeakPolarHBondContact O-CB 3.3Å; D43-S47 PolarHBondContact O-N 3.32Å; D43-S47 PolarHBondContact O-OG 3.36Å; L44-S47 PolarHBondContact O-N 3.19Å; D45-S47 VanDerWaalsContact C-N 3.34Å; D45-S47 PolarHBondContact O-N 2.85Å; S47-T50 PolarHBondContact O-OG1 3.4Å; S47-T50 VanDerWaalsContact O-OG1 3.06Å; S47-V51 WeakPolarHBondContact O-CG2 3.36Å
48M66.3Low72Confident16 Ų1667 Ų678%0.07934%0.341CS..Hα-helixtrans-77.9-29179.5-71.4-166.518000113.5L44 D45 I46 T50 F59 F142 I144L44-M48 HydrophobicContact CD1-CE 3.63Å; L44-M48 HydrophobicContact CD1-CG 4.2Å; L44-M48 HydrophobicContact CD2-CE 4.19Å; L44-M48 HydrophobicContact CG-CE 3.8Å; L44-M48 HydrophobicContact CG-CG 4.5Å; L44-M48 HydrophobicContact CG-SD 4.49Å; L44-M48 WeakPolarHBondContact O-CB 3.26Å; L44-M48 VanDerWaalsContact O-CG 3.28Å; L44-M48 WeakPolarHBondContact O-CG 3.26Å; L44-M48 PolarHBondContact O-N 3.32Å; D45-M48 PolarHBondContact O-N 2.65Å; I46-M48 VanDerWaalsContact C-N 3.35Å; I46-M48 PolarHBondContact O-N 3.31Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.51Å; M48-F59 HydrophobicContact CB-CB 3.85Å; M48-F59 HydrophobicContact CB-CD1 4.22Å; M48-F59 HydrophobicContact CB-CG 3.98Å; M48-F59 HydrophobicContact SD-CB 4.38Å; M48-F59 HydrophobicContact SD-CD2 3.77Å; M48-F59 HydrophobicContact SD-CE2 4.17Å; M48-F59 HydrophobicContact SD-CG 4.12Å; M48-F142 HydrophobicContact CE-CD2 3.23Å; M48-F142 HydrophobicContact CE-CE2 3.24Å; M48-F142 HydrophobicContact CE-CG 4.18Å; M48-F142 HydrophobicContact CE-CZ 4.18Å; M48-F142 WeakPolarHBondContact CE-O 3.43Å; M48-F142 HydrophobicContact CG-CE2 3.93Å; M48-F142 HydrophobicContact SD-CD2 4.19Å; M48-F142 HydrophobicContact SD-CE2 3.56Å; M48-F142 VanDerWaalsContact SD-CE2 3.56Å; M48-F142 HydrophobicContact SD-CZ 4.1Å; M48-I144 HydrophobicContact CE-CD1 4.1Å; M48-I144 HydrophobicContact CE-CG1 3.95Å; M48-I144 HydrophobicContact SD-CD1 4.08Å
49R62.3Low73Confident136 Ų13663.4 Ų63.451%0.51333%0.325SS..Hα-helixtrans-71.5-22.5175.5-72-178.5-153.8-118.97.2113.6D45 I46 F59 Y60D45-R49 VanDerWaalsContact CG-NH2 3.25Å; D45-R49 WeakPolarHBondContact O-CG 3.47Å; D45-R49 PolarHBondContact O-N 3.28Å; D45-R49 IonicContact OD1-CZ 2.67Å; D45-R49 IonicContact OD1-NE 3.48Å; D45-R49 PolarHBondContact OD1-NE 2.76Å; D45-R49 IonicContact OD1-NH2 3.63Å; D45-R49 PolarHBondContact OD1-NH2 3.14Å; D45-R49 IonicContact OD2-CZ 3.58Å; D45-R49 IonicContact OD2-NE 2.74Å; D45-R49 IonicContact OD2-NH2 2.9Å; D45-R49 PolarHBondContact OD2-NH2 3.07Å; I46-R49 PolarHBondContact O-N 2.92Å; R49-F59 HydrophobicContact CG-CD1 4.49Å; R49-Y60 PolarHBondContact NH1-O 3.02Å
50T54.8Low74Confident107 Ų10758.7 Ų58.766%0.65631%0.308SS*.THydrogen-bonded Turntrans-93.8-0.8-172.2490000113.5I46 S47 M48I46-T50 WeakPolarHBondContact O-CG2 3.28Å; I46-T50 PolarHBondContact O-N 3Å; I46-T50 PolarHBondContact O-OG1 2.7Å; I46-T50 VanDerWaalsContact O-OG1 3.08Å; S47-T50 PolarHBondContact O-OG1 3.4Å; S47-T50 VanDerWaalsContact O-OG1 3.06Å; M48-T50 VanDerWaalsContact C-N 3.28Å; M48-T50 PolarHBondContact O-N 2.51Å
51V63.7Low74.9Confident37 Ų3755.2 Ų55.222%0.22429%0.291CS..  trans-125.2107.6-166.9174.10000110.7S47 H112 L117S47-V51 WeakPolarHBondContact O-CG2 3.36Å; V51-H112 WeakPolarHBondContact CG1-NE2 2.77Å; V51-L117 HydrophobicContact CB-CD2 4.28Å; V51-L117 HydrophobicContact CG1-CD1 4.22Å; V51-L117 HydrophobicContact CG1-CD2 4.44Å; V51-L117 HydrophobicContact CG1-CG 4.31Å; V51-L117 HydrophobicContact CG2-CD2 3.55Å; V51-L117 HydrophobicContact CG2-CG 4.26Å
52D76.1Confident75.6Confident145 Ų14556 Ų5678%0.77530%0.3SS*.  trans-89.2110.1178.5-166.410.3000109.9
53C88.2Confident76.4Confident7 Ų754.3 Ų54.35%0.04729%0.292CS..  trans-133.6119.4172.8-175.40000109.2F55 T56 H112C53-F55 PolarHBondContact O-N 3.34Å; C53-T56 HydrophobicContact CB-CG2 4.25Å; C53-T56 WeakPolarHBondContact CB-OG1 3.42Å; C53-T56 PolarHBondContact O-N 3.03Å; C53-T56 PolarHBondContact O-OG1 3.1Å; C53-H112 WeakPolarHBondContact CB-NE2 3.47Å
54P93.1Very high77.1Confident85 Ų8554.2 Ų54.255%0.55229%0.288SS*.THydrogen-bonded Turntrans-61.2-14178.1-25.534.9000114.5K138P54-K138 VanDerWaalsContact O-CE 3.22Å; P54-K138 WeakPolarHBondContact O-CE 3.45Å; P54-K138 WeakPolarHBondContact O-CG 3.38Å
55F95.2Very high77.6Confident48 Ų4859.5 Ų59.521%0.21131%0.306CS..THydrogen-bonded Turntrans-108.32.4-174-47.9-73.3000113.3C53 S105 K108 A109 K138 M139C53-F55 PolarHBondContact O-N 3.34Å; F55-S105 WeakPolarHBondContact CB-O 3.47Å; F55-K108 HydrophobicContact CD2-CB 3.46Å; F55-K108 VanDerWaalsContact CD2-CB 3.46Å; F55-K108 HydrophobicContact CD2-CD 3.97Å; F55-K108 HydrophobicContact CD2-CG 4.35Å; F55-K108 HydrophobicContact CE1-CD 4.34Å; F55-K108 HydrophobicContact CE2-CB 3.74Å; F55-K108 HydrophobicContact CE2-CD 3.29Å; F55-K108 HydrophobicContact CE2-CG 4.14Å; F55-K108 HydrophobicContact CG-CB 3.99Å; F55-K108 HydrophobicContact CZ-CB 4.45Å; F55-K108 HydrophobicContact CZ-CD 3.5Å; F55-A109 HydrophobicContact CB-CB 3.8Å; F55-A109 WeakPolarHBondContact O-CB 3.33Å; F55-K138 CarbonylContact O-C 3.6Å; F55-K138 VanDerWaalsContact O-CA 3.28Å; F55-K138 WeakPolarHBondContact O-CA 3.42Å; F55-M139 PolarHBondContact O-N 3.06Å
56T91.4Very high78.2Confident10 Ų1065 Ų656%0.06133%0.332CS..BIsolated β-bridgetrans-114.5149.3169.460.70000110C53 T58 A109 L113 F142C53-T56 HydrophobicContact CB-CG2 4.25Å; C53-T56 WeakPolarHBondContact CB-OG1 3.42Å; C53-T56 PolarHBondContact O-N 3.03Å; C53-T56 PolarHBondContact O-OG1 3.1Å; T56-T58 PolarHBondContact O-N 3.03Å; T56-A109 HydrophobicContact CG2-CB 4.05Å; T56-L113 HydrophobicContact CG2-CD2 4.13Å; T56-L113 HydrophobicContact CG2-CG 4.26Å; T56-F142 HydrophobicContact CG2-CE1 4.23Å; T56-F142 HydrophobicContact CG2-CZ 4.4Å
57V90.3Very high78.8Confident7 Ų762.7 Ų62.74%0.04233%0.333CS..PPolyproline II helixtrans-64.4125.7177.7170.90000110.1F59 M73 E74 M76 L130 K138 M139 C140V57-F59 PolarHBondContact O-N 3.29Å; V57-M73 HydrophobicContact CG1-CB 3.74Å; V57-M73 HydrophobicContact CG1-CG 3.94Å; V57-M73 HydrophobicContact CG1-SD 4.05Å; V57-E74 WeakPolarHBondContact CA-OE1 3.42Å; V57-E74 HydrophobicContact CB-CG 4.31Å; V57-E74 HydrophobicContact CG1-CG 3.52Å; V57-M76 HydrophobicContact CG2-CG 4.43Å; V57-L130 HydrophobicContact CG2-CD1 3.87Å; V57-K138 HydrophobicContact CG2-CB 3.99Å; V57-M139 WeakPolarHBondContact CG2-O 3.39Å; V57-M139 PolarHBondContact N-O 3.32Å; V57-C140 HydrophobicContact CB-CB 4.31Å; V57-C140 HydrophobicContact CG2-CB 3.75Å
58T87.9Confident79.5Confident60 Ų6061.5 Ų61.537%0.36832%0.323SS..PPolyproline II helixtrans-62.2127.6177.3-57.10000111.1T56 Y60 M73 E74T56-T58 PolarHBondContact O-N 3.03Å; T58-Y60 HydrophobicContact CG2-CD1 4.15Å; T58-Y60 HydrophobicContact CG2-CE1 3.81Å; T58-M73 CarbonylContact O-C 3.44Å; T58-M73 WeakPolarHBondContact O-CA 3.48Å; T58-E74 VanDerWaalsContact N-CD 3.29Å; T58-E74 PolarHBondContact N-OE1 2.8Å; T58-E74 PolarHBondContact O-N 3.37Å; T58-E74 PolarHBondContact OG1-OE2 3.18Å
59F85.3Confident80.1Confident21 Ų2160.9 Ų60.99%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-95.1122.8178.8-165.7-93.1000110.8D45 M48 R49 V57 G61 A62 I71 I144D45-F59 HydrophobicContact CB-CE1 4.14Å; D45-F59 WeakPolarHBondContact OD1-CE1 3.32Å; M48-F59 HydrophobicContact CB-CB 3.85Å; M48-F59 HydrophobicContact CB-CD1 4.22Å; M48-F59 HydrophobicContact CB-CG 3.98Å; M48-F59 HydrophobicContact SD-CB 4.38Å; M48-F59 HydrophobicContact SD-CD2 3.77Å; M48-F59 HydrophobicContact SD-CE2 4.17Å; M48-F59 HydrophobicContact SD-CG 4.12Å; R49-F59 HydrophobicContact CG-CD1 4.49Å; V57-F59 PolarHBondContact O-N 3.29Å; F59-G61 VanDerWaalsContact CZ-C 3.5Å; F59-A62 HydrophobicContact CE1-CB 4.45Å; F59-A62 HydrophobicContact CZ-CB 4Å; F59-I71 HydrophobicContact CD2-CG2 4.02Å; F59-I71 HydrophobicContact CE2-CB 4.37Å; F59-I71 HydrophobicContact CE2-CG2 3.27Å; F59-I71 HydrophobicContact CZ-CG2 3.99Å; F59-I144 HydrophobicContact CD2-CD1 4.39Å; F59-I144 HydrophobicContact CE2-CD1 3.55Å; F59-I144 HydrophobicContact CZ-CD1 4.19Å
60Y86.1Confident81.2Confident79 Ų7955.5 Ų55.531%0.3130%0.3SS..EExtended strand (participates in β ladder)trans-93.1-28.2178.4-59.2-43.1000113Q21 M23 R49 T58 C72 M73 E74Q21-Y60 HydrophobicContact CG-CE2 4.31Å; Q21-Y60 PolarHBondContact NE2-OH 3.19Å; M23-Y60 HydrophobicContact CB-CD2 4.23Å; M23-Y60 HydrophobicContact CB-CE2 4.2Å; M23-Y60 HydrophobicContact CG-CD2 3.68Å; M23-Y60 HydrophobicContact CG-CE2 3.61Å; M23-Y60 HydrophobicContact SD-CD2 3.35Å; M23-Y60 WeakPolarHBondContact SD-CD2 3.34Å; M23-Y60 HydrophobicContact SD-CE2 3.89Å; M23-Y60 HydrophobicContact SD-CG 4.16Å; R49-Y60 PolarHBondContact NH1-O 3.02Å; T58-Y60 HydrophobicContact CG2-CD1 4.15Å; T58-Y60 HydrophobicContact CG2-CE1 3.81Å; Y60-C72 PolarHBondContact N-O 3.32Å; Y60-M73 VanDerWaalsContact CE2-C 3.46Å; Y60-M73 WeakPolarHBondContact CE2-O 3.31Å; Y60-E74 HydrophobicContact CE2-CB 4.26Å; Y60-E74 WeakPolarHBondContact OH-CB 3.34Å
61G82.7Confident82.6Confident7 Ų750.8 Ų50.87%0.07227%0.27CS..EExtended strand (participates in β ladder)trans157.2162.6178.300000113.9F59 C72F59-G61 VanDerWaalsContact CZ-C 3.5Å; G61-C72 PolarHBondContact N-O 3.16Å; G61-C72 WeakPolarHBondContact O-CB 3.18Å; G61-C72 PolarHBondContact O-N 2.9Å
62A81.6Confident83.8Confident27 Ų2749.7 Ų49.722%0.22326%0.264CS..EExtended strand (participates in β ladder)trans-109.6148.8168.700000110.7F59 W70F59-A62 HydrophobicContact CE1-CB 4.45Å; F59-A62 HydrophobicContact CZ-CB 4Å; A62-W70 CarbonylContact C-O 3.47Å; A62-W70 VanDerWaalsContact CA-O 3.3Å; A62-W70 WeakPolarHBondContact CA-O 3.26Å
63L82.1Confident84.5Confident72 Ų7243.7 Ų43.738%0.37723%0.232SC..EExtended strand (participates in β ladder)trans-141.2151170.862.492.5000111.3R65 W70L63-R65 HydrophobicContact CD1-CB 3.67Å; L63-W70 HydrophobicContact CD1-CB 3.55Å; L63-W70 HydrophobicContact CD1-CD2 4.17Å; L63-W70 HydrophobicContact CD1-CE3 4.46Å; L63-W70 HydrophobicContact CD1-CG 3.78Å; L63-W70 HydrophobicContact CG-CB 3.72Å; L63-W70 HydrophobicContact CG-CG 4.48Å; L63-W70 PolarHBondContact N-O 3.38Å; L63-W70 PolarHBondContact O-N 2.74Å
64F77.6Confident84.7Confident79 Ų7944.4 Ų44.435%0.34624%0.235SC..EExtended strand (participates in β ladder)trans-98.3124.8172.2-70.8-91.3000108.9K38 L41 D68 V69K38-F64 HydrophobicContact CB-CE2 4.39Å; K38-F64 HydrophobicContact CB-CZ 3.94Å; K38-F64 HydrophobicContact CD-CE1 4.3Å; K38-F64 HydrophobicContact CD-CZ 4.33Å; K38-F64 HydrophobicContact CG-CE1 3.8Å; K38-F64 HydrophobicContact CG-CE2 4.35Å; K38-F64 HydrophobicContact CG-CZ 3.65Å; L41-F64 HydrophobicContact CB-CZ 4.34Å; L41-F64 HydrophobicContact CD1-CE1 4.06Å; L41-F64 HydrophobicContact CD1-CZ 3.59Å; F64-D68 WeakPolarHBondContact CA-O 3.11Å; F64-V69 HydrophobicContact CD1-CG2 3.92Å; F64-V69 HydrophobicContact CE1-CG2 3.49Å; F64-V69 VanDerWaalsContact CE1-CG2 3.49Å; F64-V69 HydrophobicContact CZ-CG2 4.16Å
65R77.1Confident84.7Confident135 Ų13542.4 Ų42.451%0.50922%0.219SC..EExtended strand (participates in β ladder)trans-148.4131179.3-178.1174.1179.1157.75.7110.2L63 G67 D68L63-R65 HydrophobicContact CD1-CB 3.67Å; R65-G67 PolarHBondContact O-N 3.45Å; R65-D68 PolarHBondContact N-O 2.52Å; R65-D68 WeakPolarHBondContact O-CA 3.47Å; R65-D68 WeakPolarHBondContact O-CB 3.27Å; R65-D68 PolarHBondContact O-N 3.08Å
66E77.4Confident84.8Confident136 Ų13640.7 Ų40.764%0.63621%0.212SC*.THydrogen-bonded Turntrans57.729.7175.5-65.2157.2-147.300113.7D68E66-D68 PolarHBondContact O-N 2.81Å
67G73.5Confident84.9Confident55 Ų5544.3 Ų44.357%0.56723%0.231SC*.THydrogen-bonded Turntrans77.62.7-175.400000114.3A30 R65A30-G67 WeakPolarHBondContact CB-O 3.14Å; A30-G67 PolarHBondContact N-O 2.95Å; R65-G67 PolarHBondContact O-N 3.45Å
68D77.1Confident85.2Confident23 Ų2344.8 Ų44.812%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-103.6156174.3-66.4-24.3000111.2R27 I28 R29 F64 R65 E66R27-D68 IonicContact CZ-OD2 2.84Å; R27-D68 IonicContact NE-OD2 3.13Å; R27-D68 IonicContact NH2-OD2 2.95Å; R27-D68 PolarHBondContact NH2-OD2 3.16Å; I28-D68 WeakPolarHBondContact O-CA 3.48Å; R29-D68 WeakPolarHBondContact CA-OD1 3.31Å; F64-D68 WeakPolarHBondContact CA-O 3.11Å; R65-D68 PolarHBondContact N-O 2.52Å; R65-D68 WeakPolarHBondContact O-CA 3.47Å; R65-D68 WeakPolarHBondContact O-CB 3.27Å; R65-D68 PolarHBondContact O-N 3.08Å; E66-D68 PolarHBondContact O-N 2.81Å
69V79.1Confident85.5Confident2 Ų242.6 Ų42.61%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-96.2126.2167-176.80000108.5R27 I28 A30 L41 F64 I71R27-V69 CarbonylContact C-O 3.59Å; R27-V69 WeakPolarHBondContact CA-O 3.48Å; I28-V69 HydrophobicContact CB-CB 4.39Å; I28-V69 PolarHBondContact N-O 3.11Å; I28-V69 PolarHBondContact O-N 3.21Å; A30-V69 HydrophobicContact CB-CG2 4.23Å; L41-V69 HydrophobicContact CD1-CB 4.4Å; L41-V69 HydrophobicContact CD1-CG1 3.89Å; L41-V69 HydrophobicContact CD1-CG2 3.63Å; L41-V69 HydrophobicContact CD2-CG1 4.26Å; F64-V69 HydrophobicContact CD1-CG2 3.92Å; F64-V69 HydrophobicContact CE1-CG2 3.49Å; F64-V69 VanDerWaalsContact CE1-CG2 3.49Å; F64-V69 HydrophobicContact CZ-CG2 4.16Å; V69-I71 HydrophobicContact CG1-CG1 4.28Å
70W85.7Confident86.1Confident24 Ų2441.6 Ų41.69%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-111.8119.5179.3-70.747.2000108.5M14 V25 K26 R27 A62 L63M14-W70 HydrophobicContact CE-CE3 4.34Å; M14-W70 HydrophobicContact CE-CH2 4Å; M14-W70 HydrophobicContact CE-CZ3 3.56Å; M14-W70 HydrophobicContact SD-CE3 4.39Å; M14-W70 HydrophobicContact SD-CZ3 3.73Å; V25-W70 HydrophobicContact CG1-CB 4.25Å; V25-W70 HydrophobicContact CG1-CD2 4.23Å; V25-W70 HydrophobicContact CG1-CE3 3.59Å; V25-W70 HydrophobicContact CG1-CZ3 4.29Å; K26-W70 WeakPolarHBondContact O-CA 3.36Å; R27-W70 HydrophobicContact CG-CD2 3.93Å; R27-W70 HydrophobicContact CG-CE3 4.47Å; R27-W70 HydrophobicContact CG-CG 4.19Å; R27-W70 HydrophobicContact CG-CZ2 4.24Å; A62-W70 CarbonylContact C-O 3.47Å; A62-W70 VanDerWaalsContact CA-O 3.3Å; A62-W70 WeakPolarHBondContact CA-O 3.26Å; L63-W70 HydrophobicContact CD1-CB 3.55Å; L63-W70 HydrophobicContact CD1-CD2 4.17Å; L63-W70 HydrophobicContact CD1-CE3 4.46Å; L63-W70 HydrophobicContact CD1-CG 3.78Å; L63-W70 HydrophobicContact CG-CB 3.72Å; L63-W70 HydrophobicContact CG-CG 4.48Å; L63-W70 PolarHBondContact N-O 3.38Å; L63-W70 PolarHBondContact O-N 2.74Å
71I84.3Confident86.6Confident7 Ų739.4 Ų39.44%0.03621%0.21CC..EExtended strand (participates in β ladder)trans-106.8116-179.6-66.9162.2000108.2V25 K26 I28 F59 V69 M73 I144V25-I71 CarbonylContact C-O 3.59Å; V25-I71 VanDerWaalsContact CA-O 3.28Å; V25-I71 WeakPolarHBondContact CA-O 3.42Å; K26-I71 HydrophobicContact CB-CB 4.28Å; K26-I71 PolarHBondContact N-O 3.14Å; K26-I71 PolarHBondContact O-N 2.95Å; I28-I71 HydrophobicContact CD1-CD1 3.56Å; I28-I71 HydrophobicContact CG1-CD1 4.32Å; F59-I71 HydrophobicContact CD2-CG2 4.02Å; F59-I71 HydrophobicContact CE2-CB 4.37Å; F59-I71 HydrophobicContact CE2-CG2 3.27Å; F59-I71 HydrophobicContact CZ-CG2 3.99Å; V69-I71 HydrophobicContact CG1-CG1 4.28Å; I71-M73 HydrophobicContact CG2-CE 4.1Å; I71-I144 HydrophobicContact CD1-CB 4.23Å; I71-I144 HydrophobicContact CD1-CD1 3.78Å; I71-I144 HydrophobicContact CD1-CG2 3.61Å; I71-I144 HydrophobicContact CG1-CD1 4.21Å; I71-I144 HydrophobicContact CG2-CD1 4.31Å
72C88.8Confident87.2Confident15 Ų1542.9 Ų42.910%0.10122%0.223CC..EExtended strand (participates in β ladder)trans-96122.9179.1-57.50000109.7M23 Y60 G61M23-C72 HydrophobicContact CE-CB 4.23Å; M23-C72 HydrophobicContact SD-CB 4.36Å; Y60-C72 PolarHBondContact N-O 3.32Å; G61-C72 PolarHBondContact N-O 3.16Å; G61-C72 WeakPolarHBondContact O-CB 3.18Å; G61-C72 PolarHBondContact O-N 2.9Å
73M90.1Very high88Confident18 Ų1841.6 Ų41.69%0.08921%0.213CC..EExtended strand (participates in β ladder)trans-139163.6-175.671.7-170.6102.800111.4M23 A24 K26 V57 T58 Y60 I71M23-M73 WeakPolarHBondContact CA-O 3.31Å; M23-M73 WeakPolarHBondContact CB-O 3.43Å; A24-M73 HydrophobicContact CB-CG 3.78Å; A24-M73 PolarHBondContact N-O 3.26Å; A24-M73 WeakPolarHBondContact O-CG 3.46Å; A24-M73 PolarHBondContact O-N 3.1Å; K26-M73 HydrophobicContact CB-CE 3.44Å; K26-M73 VanDerWaalsContact CB-CE 3.44Å; K26-M73 HydrophobicContact CD-CE 4.38Å; V57-M73 HydrophobicContact CG1-CB 3.74Å; V57-M73 HydrophobicContact CG1-CG 3.94Å; V57-M73 HydrophobicContact CG1-SD 4.05Å; T58-M73 CarbonylContact O-C 3.44Å; T58-M73 WeakPolarHBondContact O-CA 3.48Å; Y60-M73 VanDerWaalsContact CE2-C 3.46Å; Y60-M73 WeakPolarHBondContact CE2-O 3.31Å; I71-M73 HydrophobicContact CG2-CE 4.1Å
74E91.6Very high88.7Confident23 Ų2338.7 Ų38.711%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-57.1146.1174.267177.1173.800111.4V57 T58 Y60 K138V57-E74 WeakPolarHBondContact CA-OE1 3.42Å; V57-E74 HydrophobicContact CB-CG 4.31Å; V57-E74 HydrophobicContact CG1-CG 3.52Å; T58-E74 VanDerWaalsContact N-CD 3.29Å; T58-E74 PolarHBondContact N-OE1 2.8Å; T58-E74 PolarHBondContact O-N 3.37Å; T58-E74 PolarHBondContact OG1-OE2 3.18Å; Y60-E74 HydrophobicContact CE2-CB 4.26Å; Y60-E74 WeakPolarHBondContact OH-CB 3.34Å; E74-K138 WeakPolarHBondContact OE1-CD 3.47Å; E74-K138 WeakPolarHBondContact OE1-CE 3.47Å; E74-K138 IonicContact OE1-NZ 2.73Å; E74-K138 PolarHBondContact OE1-NZ 3.48Å; E74-K138 IonicContact OE2-NZ 3.55Å; E74-K138 PolarHBondContact OE2-NZ 3.21Å
75L94.6Very high89.7Confident43 Ų4339.8 Ų39.823%0.22520%0.201CC..  trans-85.2125.9177.6-178.968.3000109.8L3 K13 I22 A24L3-L75 HydrophobicContact CD1-CD1 3.45Å; L3-L75 VanDerWaalsContact CD1-CD1 3.45Å; L3-L75 HydrophobicContact CD2-CD1 4.48Å; K13-L75 HydrophobicContact CD-CD2 3.83Å; K13-L75 VanDerWaalsContact CE-CD2 3.45Å; K13-L75 HydrophobicContact CG-CD1 4.43Å; K13-L75 HydrophobicContact CG-CD2 4.04Å; I22-L75 HydrophobicContact CG2-CD2 3.6Å; A24-L75 HydrophobicContact CB-CD1 4.1Å
76M95.6Very high90.7Very high12 Ų1236.7 Ų36.76%0.05919%0.192CC..  trans-108160.9166.6-57.4-64.8-75.500109.4V57 L130 N132 Q136 K138V57-M76 HydrophobicContact CG2-CG 4.43Å; M76-L130 HydrophobicContact CB-CB 3.68Å; M76-L130 HydrophobicContact CB-CD1 3.87Å; M76-L130 HydrophobicContact CB-CG 4.38Å; M76-L130 HydrophobicContact CE-CB 4.28Å; M76-L130 HydrophobicContact CG-CB 3.69Å; M76-L130 HydrophobicContact CG-CD1 3.73Å; M76-L130 HydrophobicContact CG-CG 4.37Å; M76-N132 HydrophobicContact CE-CB 3.85Å; M76-N132 HydrophobicContact SD-CB 4.2Å; M76-Q136 HydrophobicContact CE-CB 4.48Å; M76-Q136 WeakPolarHBondContact CE-O 3.37Å; M76-K138 HydrophobicContact CE-CB 4.2Å; M76-K138 HydrophobicContact CE-CD 4.16Å; M76-K138 HydrophobicContact CE-CG 4.07Å; M76-K138 HydrophobicContact SD-CD 4.18Å
77D95.3Very high91.7Very high85 Ų8530.2 Ų30.246%0.45516%0.162SC..SBendtrans-77.6-43.7-174.1-65.5-53.9000112.1I131 N132 A133 L276D77-I131 PolarHBondContact N-O 3.44Å; D77-N132 WeakPolarHBondContact OD2-CA 3.47Å; D77-N132 WeakPolarHBondContact OD2-CB 3.41Å; D77-A133 PolarHBondContact OD2-N 2.73Å; D77-L276 HydrophobicContact CB-CD1 3.85Å
78T95.3Very high92.8Very high18 Ų1831.4 Ų31.411%0.1116%0.155CC..EExtended strand (participates in β ladder)trans-157.3164.2177.5-170.40000112.6K82 F83 L130 I131 L276T78-K82 VanDerWaalsContact OG1-CB 3.28Å; T78-K82 WeakPolarHBondContact OG1-CB 3.22Å; T78-F83 HydrophobicContact CG2-CB 3.89Å; T78-F83 HydrophobicContact CG2-CD2 4.03Å; T78-F83 HydrophobicContact CG2-CG 4.42Å; T78-L130 WeakPolarHBondContact O-CA 3.38Å; T78-I131 HydrophobicContact CG2-CG2 3.77Å; T78-I131 PolarHBondContact N-O 3.01Å; T78-I131 PolarHBondContact O-N 3.01Å; T78-L276 HydrophobicContact CG2-CD2 3.95Å
79S95.8Very high93.8Very high13 Ų1336.6 Ų36.69%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-84.4155.8166.251.30000111.4D81 K82 F83 V129S79-D81 VanDerWaalsContact C-N 3.27Å; S79-D81 WeakPolarHBondContact CB-OD1 3.22Å; S79-D81 PolarHBondContact O-N 3.37Å; S79-D81 PolarHBondContact OG-OD1 3.22Å; S79-K82 PolarHBondContact O-N 2.99Å; S79-F83 WeakPolarHBondContact O-CB 3.37Å; S79-F83 PolarHBondContact O-N 3.4Å; S79-V129 CarbonylContact C-O 3.54Å; S79-V129 VanDerWaalsContact CA-O 3.31Å; S79-V129 WeakPolarHBondContact CA-O 3.06Å
80L97.8Very high94.7Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-65.8-28.3-177.1-67.2-173.1000113K82 F83 Y84 I102 P126 V129 I131 L194L80-K82 VanDerWaalsContact C-N 3.28Å; L80-K82 PolarHBondContact O-N 3.09Å; L80-F83 HydrophobicContact CD2-CB 4.4Å; L80-F83 HydrophobicContact CD2-CD1 4.26Å; L80-F83 PolarHBondContact O-N 2.68Å; L80-Y84 WeakPolarHBondContact O-CD1 3.38Å; L80-Y84 PolarHBondContact O-N 2.77Å; L80-I102 HydrophobicContact CD1-CD1 4.04Å; L80-I102 HydrophobicContact CD1-CG1 4.27Å; L80-I102 HydrophobicContact CD1-CG2 3.66Å; L80-I102 HydrophobicContact CD2-CD1 4.29Å; L80-P126 HydrophobicContact CB-CB 4.18Å; L80-P126 WeakPolarHBondContact CB-O 3.33Å; L80-P126 PolarHBondContact N-O 3.24Å; L80-P126 VanDerWaalsContact N-O 3.11Å; L80-V129 HydrophobicContact CB-CB 4.43Å; L80-V129 HydrophobicContact CD1-CB 3.66Å; L80-V129 HydrophobicContact CD1-CG1 3.48Å; L80-V129 VanDerWaalsContact CD1-CG1 3.48Å; L80-V129 HydrophobicContact CD1-CG2 4.39Å; L80-V129 HydrophobicContact CG-CB 3.87Å; L80-V129 HydrophobicContact CG-CG1 3.94Å; L80-V129 PolarHBondContact N-O 2.7Å; L80-I131 HydrophobicContact CD2-CB 4Å; L80-I131 HydrophobicContact CD2-CD1 4.21Å; L80-I131 HydrophobicContact CD2-CG2 3.96Å; L80-L194 HydrophobicContact CB-CD2 3.94Å; L80-L194 HydrophobicContact CD1-CD1 3.72Å; L80-L194 HydrophobicContact CD1-CD2 4.33Å
81D95.2Very high95.2Very high33 Ų3343.2 Ų43.218%0.17623%0.232CC..Hα-helixtrans-64.7-30.8175.576.2-57.4000113.7S79 Y84 K85 P126 S127S79-D81 VanDerWaalsContact C-N 3.27Å; S79-D81 WeakPolarHBondContact CB-OD1 3.22Å; S79-D81 PolarHBondContact O-N 3.37Å; S79-D81 PolarHBondContact OG-OD1 3.22Å; D81-Y84 HydrophobicContact CB-CE1 4.24Å; D81-K85 WeakPolarHBondContact O-CD 3.47Å; D81-K85 WeakPolarHBondContact O-CE 3.05Å; D81-K85 WeakPolarHBondContact O-CG 3.45Å; D81-P126 HydrophobicContact CB-CB 3.91Å; D81-P126 PolarHBondContact N-O 2.83Å; D81-S127 WeakPolarHBondContact OD1-CA 3.39Å; D81-S127 WeakPolarHBondContact OD1-CB 3.5Å
82K95.9Very high95.9Very high81 Ų8147.3 Ų47.335%0.35225%0.251SS..Hα-helixtrans-84.9-39.6173.4-68177.5-177.2177.90110.8L3 T78 S79 L80 K85 Q86L3-K82 PolarHBondContact O-NZ 3.35Å; T78-K82 VanDerWaalsContact OG1-CB 3.28Å; T78-K82 WeakPolarHBondContact OG1-CB 3.22Å; S79-K82 PolarHBondContact O-N 2.99Å; L80-K82 VanDerWaalsContact C-N 3.28Å; L80-K82 PolarHBondContact O-N 3.09Å; K82-K85 WeakPolarHBondContact O-CB 3.15Å; K82-K85 PolarHBondContact O-N 2.86Å; K82-Q86 PolarHBondContact O-N 3.47Å; K82-Q86 VanDerWaalsContact O-N 3.14Å
83F97.9Very high96.3Very high0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-59-49.4179.1-174.9-104.8000111.7T78 S79 L80 K85 Q86 V87 I94 I131 F271 V272 I275 L276T78-F83 HydrophobicContact CG2-CB 3.89Å; T78-F83 HydrophobicContact CG2-CD2 4.03Å; T78-F83 HydrophobicContact CG2-CG 4.42Å; S79-F83 WeakPolarHBondContact O-CB 3.37Å; S79-F83 PolarHBondContact O-N 3.4Å; L80-F83 HydrophobicContact CD2-CB 4.4Å; L80-F83 HydrophobicContact CD2-CD1 4.26Å; L80-F83 PolarHBondContact O-N 2.68Å; F83-K85 PolarHBondContact O-N 2.97Å; F83-Q86 WeakPolarHBondContact O-CB 3.48Å; F83-Q86 PolarHBondContact O-N 3.23Å; F83-Q86 VanDerWaalsContact O-N 3.08Å; F83-V87 HydrophobicContact CD1-CG2 4.21Å; F83-V87 HydrophobicContact CE1-CG2 3.99Å; F83-V87 HydrophobicContact CZ-CG2 4.45Å; F83-V87 WeakPolarHBondContact O-CG2 3.31Å; F83-V87 PolarHBondContact O-N 3.3Å; F83-I94 HydrophobicContact CD1-CD1 4.5Å; F83-I131 HydrophobicContact CB-CG2 4.38Å; F83-I131 HydrophobicContact CD2-CG2 4.06Å; F83-I131 HydrophobicContact CG-CG2 4.16Å; F83-F271 HydrophobicContact CE1-CD1 4.39Å; F83-F271 AromaticContact CE1-CE1 3.87Å; F83-F271 HydrophobicContact CE1-CE1 3.87Å; F83-F271 HydrophobicContact CZ-CD1 4.06Å; F83-F271 AromaticContact CZ-CE1 3.86Å; F83-F271 HydrophobicContact CZ-CE1 3.86Å; F83-V272 HydrophobicContact CE2-CB 4.41Å; F83-V272 HydrophobicContact CE2-CG1 4.17Å; F83-V272 HydrophobicContact CE2-CG2 4.26Å; F83-V272 HydrophobicContact CZ-CG2 4.12Å; F83-I275 HydrophobicContact CD2-CB 4.47Å; F83-I275 HydrophobicContact CD2-CG2 3.9Å; F83-I275 HydrophobicContact CE2-CB 3.6Å; F83-I275 HydrophobicContact CE2-CG1 4.23Å; F83-I275 HydrophobicContact CE2-CG2 3.5Å; F83-I275 HydrophobicContact CZ-CB 3.79Å; F83-I275 HydrophobicContact CZ-CG1 3.87Å; F83-I275 HydrophobicContact CZ-CG2 3.89Å; F83-L276 HydrophobicContact CD2-CD2 4Å; F83-L276 HydrophobicContact CE2-CD2 4.27Å; F83-L276 HydrophobicContact CE2-CG 4.46Å
84Y97.7Very high96.7Very high11 Ų1150.4 Ų50.44%0.04327%0.27CS..Hα-helixtrans-67.1-25.8-179.183.9-116.5000112.3L80 D81 V87 I88 P126 K161 E193 L194 L197L80-Y84 WeakPolarHBondContact O-CD1 3.38Å; L80-Y84 PolarHBondContact O-N 2.77Å; D81-Y84 HydrophobicContact CB-CE1 4.24Å; Y84-V87 WeakPolarHBondContact O-CB 3.35Å; Y84-V87 PolarHBondContact O-N 3.4Å; Y84-I88 HydrophobicContact CD2-CD1 4Å; Y84-I88 HydrophobicContact CE2-CD1 4.23Å; Y84-I88 WeakPolarHBondContact O-CG1 3.2Å; Y84-I88 PolarHBondContact O-N 3.21Å; Y84-P126 HydrophobicContact CE1-CB 4.31Å; Y84-K161 PolarHBondContact OH-NZ 3.36Å; Y84-E193 HydrophobicContact CE1-CG 4.17Å; Y84-E193 PolarHBondContact OH-OE1 2.73Å; Y84-L194 HydrophobicContact CD1-CD2 3.81Å; Y84-L194 HydrophobicContact CG-CD2 4.45Å; Y84-L197 HydrophobicContact CD2-CD2 4.3Å; Y84-L197 HydrophobicContact CG-CD2 4.4Å
85K97.5Very high97.1Very high102 Ų10251.9 Ų51.944%0.44328%0.281SS..Hα-helixtrans-67-41.8171.6-69.3170.5-174.3165.10111.4D81 K82 F83 V87 I88 D89D81-K85 WeakPolarHBondContact O-CD 3.47Å; D81-K85 WeakPolarHBondContact O-CE 3.05Å; D81-K85 WeakPolarHBondContact O-CG 3.45Å; K82-K85 WeakPolarHBondContact O-CB 3.15Å; K82-K85 PolarHBondContact O-N 2.86Å; F83-K85 PolarHBondContact O-N 2.97Å; K85-V87 VanDerWaalsContact C-N 3.28Å; K85-V87 PolarHBondContact O-N 2.89Å; K85-I88 WeakPolarHBondContact O-CB 3.42Å; K85-I88 PolarHBondContact O-N 2.84Å; K85-I88 VanDerWaalsContact O-N 3.12Å; K85-D89 VanDerWaalsContact O-CG 3.25Å; K85-D89 PolarHBondContact O-N 2.85Å
86Q97.7Very high97.2Very high69 Ų6951.8 Ų51.832%0.32228%0.28SS..Hα-helixtrans-64.4-33.9173.2-66.7173.2-20.100112.2K82 F83 I88 D89 K90 I275K82-Q86 PolarHBondContact O-N 3.47Å; K82-Q86 VanDerWaalsContact O-N 3.14Å; F83-Q86 WeakPolarHBondContact O-CB 3.48Å; F83-Q86 PolarHBondContact O-N 3.23Å; F83-Q86 VanDerWaalsContact O-N 3.08Å; Q86-I88 VanDerWaalsContact C-N 3.35Å; Q86-D89 PolarHBondContact O-N 3.19Å; Q86-K90 WeakPolarHBondContact O-CG 3.44Å; Q86-K90 PolarHBondContact O-N 2.51Å; Q86-I275 HydrophobicContact CB-CG2 3.82Å
87V98.3Very high97.4Very high0 Ų054 Ų540%029%0.292CS..Hα-helixtrans-59.3-46.1170.8173.50000110.6F83 Y84 K85 K90 G91 Q92 I94 L197 F271 I275F83-V87 HydrophobicContact CD1-CG2 4.21Å; F83-V87 HydrophobicContact CE1-CG2 3.99Å; F83-V87 HydrophobicContact CZ-CG2 4.45Å; F83-V87 WeakPolarHBondContact O-CG2 3.31Å; F83-V87 PolarHBondContact O-N 3.3Å; Y84-V87 WeakPolarHBondContact O-CB 3.35Å; Y84-V87 PolarHBondContact O-N 3.4Å; K85-V87 VanDerWaalsContact C-N 3.28Å; K85-V87 PolarHBondContact O-N 2.89Å; V87-K90 PolarHBondContact O-N 2.84Å; V87-G91 PolarHBondContact O-N 3.14Å; V87-Q92 HydrophobicContact CG1-CB 3.87Å; V87-Q92 VanDerWaalsContact CG1-O 3.3Å; V87-Q92 WeakPolarHBondContact CG1-O 3.24Å; V87-Q92 PolarHBondContact O-N 3.04Å; V87-I94 HydrophobicContact CB-CG1 4.47Å; V87-I94 HydrophobicContact CG1-CG1 4.08Å; V87-I94 HydrophobicContact CG2-CG1 4Å; V87-L197 HydrophobicContact CG1-CD1 4.12Å; V87-L197 HydrophobicContact CG1-CD2 4.24Å; V87-F271 HydrophobicContact CG2-CZ 4.46Å; V87-I275 HydrophobicContact CB-CD1 4.5Å; V87-I275 HydrophobicContact CG2-CB 4.5Å; V87-I275 HydrophobicContact CG2-CD1 3.89Å; V87-I275 HydrophobicContact CG2-CG1 3.9Å; V87-I275 HydrophobicContact CG2-CG2 3.81Å
88I98.1Very high97.6Very high80 Ų8050.3 Ų50.341%0.4127%0.272SS..Hα-helixtrans-60.8-48.1174.8-62.8164.4000110.9Y84 K85 Q86 K90 G91 L197Y84-I88 HydrophobicContact CD2-CD1 4Å; Y84-I88 HydrophobicContact CE2-CD1 4.23Å; Y84-I88 WeakPolarHBondContact O-CG1 3.2Å; Y84-I88 PolarHBondContact O-N 3.21Å; K85-I88 WeakPolarHBondContact O-CB 3.42Å; K85-I88 PolarHBondContact O-N 2.84Å; K85-I88 VanDerWaalsContact O-N 3.12Å; Q86-I88 VanDerWaalsContact C-N 3.35Å; I88-K90 PolarHBondContact O-N 3.11Å; I88-G91 PolarHBondContact O-N 2.93Å; I88-L197 HydrophobicContact CD1-CB 4Å; I88-L197 WeakPolarHBondContact CD1-O 3.3Å; I88-L197 HydrophobicContact CG1-CB 3.89Å; I88-L197 HydrophobicContact CG1-CD1 3.85Å; I88-L197 HydrophobicContact CG1-CG 4.34Å
89D97.7Very high97.7Very high132 Ų13249.4 Ų49.471%0.70627%0.267SS*.Hα-helixtrans-60.4-29-178-65.8-23.7000112.2K85 Q86K85-D89 VanDerWaalsContact O-CG 3.25Å; K85-D89 PolarHBondContact O-N 2.85Å; Q86-D89 PolarHBondContact O-N 3.19Å
90K97.1Very high97.9Very high96 Ų9648.8 Ų48.842%0.41726%0.262SS..THydrogen-bonded Turntrans-87.92.3174.7-68.5-167.6179.2-159.90114.3Q86 V87 I88 Q92 L274 I275Q86-K90 WeakPolarHBondContact O-CG 3.44Å; Q86-K90 PolarHBondContact O-N 2.51Å; V87-K90 PolarHBondContact O-N 2.84Å; I88-K90 PolarHBondContact O-N 3.11Å; K90-Q92 HydrophobicContact CB-CG 4.15Å; K90-Q92 PolarHBondContact O-N 3.37Å; K90-L274 PolarHBondContact NZ-O 3.41Å; K90-I275 HydrophobicContact CD-CD1 4.39Å; K90-I275 WeakPolarHBondContact CE-O 3.47Å; K90-I275 PolarHBondContact NZ-O 2.82Å
91G97.4Very high97.9Very high70 Ų7050.8 Ų50.872%0.72227%0.271SS*.THydrogen-bonded Turntrans64.927.2-177.600000113.5V87 I88V87-G91 PolarHBondContact O-N 3.14Å; I88-G91 PolarHBondContact O-N 2.93Å
92Q97.8Very high98.1Very high93 Ų9349.2 Ų49.244%0.43526%0.262SS..  trans-103.5170.5-178.6-68.3-69.4-15.500111.1V87 K90 I275V87-Q92 HydrophobicContact CG1-CB 3.87Å; V87-Q92 VanDerWaalsContact CG1-O 3.3Å; V87-Q92 WeakPolarHBondContact CG1-O 3.24Å; V87-Q92 PolarHBondContact O-N 3.04Å; K90-Q92 HydrophobicContact CB-CG 4.15Å; K90-Q92 PolarHBondContact O-N 3.37Å; Q92-I275 HydrophobicContact CB-CD1 4.26Å; Q92-I275 HydrophobicContact CG-CD1 4.28Å
93T98.3Very high98.3Very high92 Ų9245.4 Ų45.456%0.56425%0.246SC*.  trans-116.5164.7163.257.90000110P95 L197 F271T93-P95 WeakPolarHBondContact O-CD 3.26Å; T93-L197 HydrophobicContact CG2-CD1 4.47Å; T93-F271 WeakPolarHBondContact O-CZ 3.44Å
94I98.6Very high98.3Very high6 Ų645.8 Ų45.83%0.03125%0.248CC..  trans-85.8116.2169.4-56.8176.6000107.3F83 V87 I98 L99 L194 L197 F271F83-I94 HydrophobicContact CD1-CD1 4.5Å; V87-I94 HydrophobicContact CB-CG1 4.47Å; V87-I94 HydrophobicContact CG1-CG1 4.08Å; V87-I94 HydrophobicContact CG2-CG1 4Å; I94-I98 HydrophobicContact CG2-CB 3.81Å; I94-I98 HydrophobicContact CG2-CG2 3.73Å; I94-L99 HydrophobicContact CB-CD2 4.13Å; I94-L99 HydrophobicContact CB-CG 4.28Å; I94-L99 HydrophobicContact CG2-CD2 3.74Å; I94-L99 HydrophobicContact CG2-CG 3.77Å; I94-L194 HydrophobicContact CD1-CB 4.45Å; I94-L194 HydrophobicContact CD1-CD2 4.39Å; I94-L197 HydrophobicContact CD1-CD2 4.14Å; I94-L197 HydrophobicContact CG1-CD2 4.13Å; I94-F271 HydrophobicContact CG2-CE1 4.28Å
95P98.6Very high98.3Very high53 Ų5345.9 Ų45.934%0.34425%0.251SS..  trans-59.8146.8177.7-23.133.4000111.7T93 D97 I98 L99 F271T93-P95 WeakPolarHBondContact O-CD 3.26Å; P95-D97 PolarHBondContact O-N 3.45Å; P95-I98 HydrophobicContact CB-CG1 4.16Å; P95-I98 HydrophobicContact CG-CG1 4.15Å; P95-I98 WeakPolarHBondContact O-CA 3.5Å; P95-I98 WeakPolarHBondContact O-CB 3.37Å; P95-I98 PolarHBondContact O-N 2.89Å; P95-L99 PolarHBondContact O-N 2.76Å; P95-F271 VanDerWaalsContact CD-CZ 3.43Å; P95-F271 HydrophobicContact CG-CD2 4.33Å; P95-F271 HydrophobicContact CG-CE2 4.02Å; P95-F271 HydrophobicContact CG-CZ 4.42Å
96E98.7Very high98.4Very high42 Ų4241 Ų4120%0.19623%0.23CC..Hα-helixtrans-58-34.1-179.7-163.5178.6122.700112.4I98 L99 G100 S228 F231 F257E96-I98 VanDerWaalsContact C-N 3.26Å; E96-I98 PolarHBondContact O-N 3.31Å; E96-L99 CarbonylContact O-C 3.57Å; E96-L99 WeakPolarHBondContact O-CB 3.34Å; E96-L99 PolarHBondContact O-N 2.85Å; E96-L99 VanDerWaalsContact O-N 3.14Å; E96-G100 PolarHBondContact O-N 3.32Å; E96-S228 WeakPolarHBondContact OE1-CB 3.39Å; E96-S228 PolarHBondContact OE1-OG 3.34Å; E96-S228 PolarHBondContact OE2-N 3.07Å; E96-F231 HydrophobicContact CG-CB 4.38Å; E96-F231 HydrophobicContact CG-CD1 3.78Å; E96-F231 HydrophobicContact CG-CE1 4.36Å; E96-F231 HydrophobicContact CG-CG 4.23Å; E96-F257 HydrophobicContact CG-CE2 4.1Å
97D98.8Very high98.4Very high58 Ų5837.8 Ų37.831%0.3121%0.214SC..Hα-helixtrans-60.3-34.3174.5-72.7-18.7000113.4P95 K101 H261 K264 T266P95-D97 PolarHBondContact O-N 3.45Å; D97-K101 WeakPolarHBondContact O-CG 3.33Å; D97-K101 PolarHBondContact O-N 3.07Å; D97-H261 IonicContact OD1-CE1 3.4Å; D97-H261 PolarHBondContact OD1-CE1 3.01Å; D97-H261 VanDerWaalsContact OD1-CE1 3.28Å; D97-H261 IonicContact OD1-ND1 3.53Å; D97-K264 WeakPolarHBondContact OD1-CE 3.25Å; D97-K264 IonicContact OD1-NZ 2.65Å; D97-K264 PolarHBondContact OD1-NZ 3.14Å; D97-K264 WeakPolarHBondContact OD2-CE 3.49Å; D97-K264 IonicContact OD2-NZ 2.85Å; D97-K264 PolarHBondContact OD2-NZ 3.44Å; D97-T266 HydrophobicContact CB-CG2 3.81Å
98I98.8Very high98.4Very high7 Ų740.2 Ų40.24%0.03623%0.225CC..Hα-helixtrans-75.2-43175.1-56.1-64.4000109.8I94 P95 E96 G100 K101 I102 T266 V268 F271I94-I98 HydrophobicContact CG2-CB 3.81Å; I94-I98 HydrophobicContact CG2-CG2 3.73Å; P95-I98 HydrophobicContact CB-CG1 4.16Å; P95-I98 HydrophobicContact CG-CG1 4.15Å; P95-I98 WeakPolarHBondContact O-CA 3.5Å; P95-I98 WeakPolarHBondContact O-CB 3.37Å; P95-I98 PolarHBondContact O-N 2.89Å; E96-I98 VanDerWaalsContact C-N 3.26Å; E96-I98 PolarHBondContact O-N 3.31Å; I98-G100 VanDerWaalsContact C-N 3.29Å; I98-G100 PolarHBondContact O-N 2.88Å; I98-K101 PolarHBondContact O-N 3.44Å; I98-I102 HydrophobicContact CG2-CD1 4.07Å; I98-I102 WeakPolarHBondContact O-CG1 3.37Å; I98-I102 PolarHBondContact O-N 3.03Å; I98-T266 HydrophobicContact CD1-CG2 3.79Å; I98-V268 HydrophobicContact CD1-CB 4.32Å; I98-V268 HydrophobicContact CD1-CG1 4.43Å; I98-V268 HydrophobicContact CD1-CG2 4.09Å; I98-F271 HydrophobicContact CB-CD1 4.43Å; I98-F271 HydrophobicContact CD1-CB 3.82Å; I98-F271 HydrophobicContact CD1-CD1 4.1Å; I98-F271 HydrophobicContact CD1-CG 4.08Å; I98-F271 HydrophobicContact CG1-CB 4.29Å; I98-F271 HydrophobicContact CG1-CD1 3.81Å; I98-F271 HydrophobicContact CG1-CE1 4.32Å; I98-F271 HydrophobicContact CG1-CG 4Å; I98-F271 HydrophobicContact CG2-CD1 3.98Å; I98-F271 HydrophobicContact CG2-CE1 4.23Å
99L98.9Very high98.2Very high0 Ų036.4 Ų36.40%021%0.205CC..Hα-helixtrans-59.3-40.2174.7-65.4170.2000111.7I94 P95 E96 I102 A103 M191 L194 A195 F231I94-L99 HydrophobicContact CB-CD2 4.13Å; I94-L99 HydrophobicContact CB-CG 4.28Å; I94-L99 HydrophobicContact CG2-CD2 3.74Å; I94-L99 HydrophobicContact CG2-CG 3.77Å; P95-L99 PolarHBondContact O-N 2.76Å; E96-L99 CarbonylContact O-C 3.57Å; E96-L99 WeakPolarHBondContact O-CB 3.34Å; E96-L99 PolarHBondContact O-N 2.85Å; E96-L99 VanDerWaalsContact O-N 3.14Å; L99-I102 WeakPolarHBondContact O-CB 3.49Å; L99-I102 PolarHBondContact O-N 3.08Å; L99-A103 WeakPolarHBondContact O-CB 3.37Å; L99-A103 PolarHBondContact O-N 3.42Å; L99-M191 HydrophobicContact CB-CE 3.9Å; L99-M191 HydrophobicContact CD2-CE 4.21Å; L99-M191 VanDerWaalsContact O-CE 3.24Å; L99-M191 WeakPolarHBondContact O-CE 3.27Å; L99-L194 HydrophobicContact CD2-CB 3.57Å; L99-A195 HydrophobicContact CD1-CB 3.76Å; L99-F231 HydrophobicContact CB-CE1 4.5Å; L99-F231 HydrophobicContact CB-CZ 4.21Å; L99-F231 HydrophobicContact CD1-CE1 3.72Å; L99-F231 HydrophobicContact CD1-CZ 3.98Å
100G98.8Very high98Very high0 Ų030.2 Ų30.20%017%0.172CC..Hα-helixtrans-61-4417500000112.5E96 I98 I102 A103 V104 H261E96-G100 PolarHBondContact O-N 3.32Å; I98-G100 VanDerWaalsContact C-N 3.29Å; I98-G100 PolarHBondContact O-N 2.88Å; G100-I102 VanDerWaalsContact C-N 3.33Å; G100-I102 PolarHBondContact O-N 3.33Å; G100-A103 PolarHBondContact O-N 3.01Å; G100-V104 VanDerWaalsContact O-CG2 3.3Å; G100-V104 WeakPolarHBondContact O-CG2 3.42Å; G100-V104 PolarHBondContact O-N 3.25Å; G100-H261 VanDerWaalsContact CA-CG 3.5Å
101K98.8Very high97.9Very high41 Ų4128.1 Ų28.118%0.17816%0.164CC..Hα-helixtrans-64.8-36.4174-70.5-60.8-173.1-173.60112.9D97 I98 S105 H261 E262 K264 T266 V268D97-K101 WeakPolarHBondContact O-CG 3.33Å; D97-K101 PolarHBondContact O-N 3.07Å; I98-K101 PolarHBondContact O-N 3.44Å; K101-S105 WeakPolarHBondContact O-CB 3.36Å; K101-S105 PolarHBondContact O-N 3.39Å; K101-S105 VanDerWaalsContact O-N 3.09Å; K101-S105 PolarHBondContact O-OG 3.02Å; K101-H261 WeakPolarHBondContact CD-O 3.21Å; K101-H261 VanDerWaalsContact CE-O 3.22Å; K101-H261 WeakPolarHBondContact CE-O 3.45Å; K101-H261 PolarHBondContact NZ-O 2.97Å; K101-E262 PolarHBondContact NZ-O 3.09Å; K101-K264 WeakPolarHBondContact CE-O 3.29Å; K101-K264 PolarHBondContact NZ-O 3.18Å; K101-T266 HydrophobicContact CG-CG2 4.26Å; K101-V268 HydrophobicContact CB-CG2 3.84Å; K101-V268 HydrophobicContact CG-CG2 3.75Å
102I98.9Very high97.6Very high0 Ų026.1 Ų26.10%014%0.136CC..Hα-helixtrans-63.2-49.7172.9-69.3163.6000110.2L80 I98 L99 G100 V104 S105 I106 V137 M191 L194L80-I102 HydrophobicContact CD1-CD1 4.04Å; L80-I102 HydrophobicContact CD1-CG1 4.27Å; L80-I102 HydrophobicContact CD1-CG2 3.66Å; L80-I102 HydrophobicContact CD2-CD1 4.29Å; I98-I102 HydrophobicContact CG2-CD1 4.07Å; I98-I102 WeakPolarHBondContact O-CG1 3.37Å; I98-I102 PolarHBondContact O-N 3.03Å; L99-I102 WeakPolarHBondContact O-CB 3.49Å; L99-I102 PolarHBondContact O-N 3.08Å; G100-I102 VanDerWaalsContact C-N 3.33Å; G100-I102 PolarHBondContact O-N 3.33Å; I102-V104 PolarHBondContact O-N 3.05Å; I102-S105 PolarHBondContact O-N 3.06Å; I102-I106 HydrophobicContact CG2-CD1 3.59Å; I102-I106 HydrophobicContact CG2-CG1 4.32Å; I102-I106 WeakPolarHBondContact O-CG1 3.34Å; I102-I106 PolarHBondContact O-N 3.11Å; I102-V137 HydrophobicContact CG1-CG1 4.29Å; I102-V137 HydrophobicContact CG1-CG2 3.96Å; I102-V137 HydrophobicContact CG2-CG1 4.43Å; I102-M191 HydrophobicContact CG2-SD 4.19Å; I102-L194 HydrophobicContact CG2-CD1 4.07Å
103A98.9Very high97.1Very high1 Ų121.8 Ų21.81%0.00812%0.116CC..Hα-helixtrans-59-46.6179.400000112L99 G100 S105 I106 V107 M191 F234 F257L99-A103 WeakPolarHBondContact O-CB 3.37Å; L99-A103 PolarHBondContact O-N 3.42Å; G100-A103 PolarHBondContact O-N 3.01Å; A103-S105 VanDerWaalsContact C-N 3.3Å; A103-S105 PolarHBondContact O-N 3.26Å; A103-I106 PolarHBondContact O-N 3.43Å; A103-V107 WeakPolarHBondContact O-CB 3.34Å; A103-V107 WeakPolarHBondContact O-CG2 3.41Å; A103-V107 PolarHBondContact O-N 2.99Å; A103-M191 HydrophobicContact CB-CE 3.93Å; A103-M191 HydrophobicContact CB-SD 3.99Å; A103-F234 HydrophobicContact CB-CE1 4.21Å; A103-F234 HydrophobicContact CB-CZ 4.33Å; A103-F257 HydrophobicContact CB-CE1 3.87Å
104V98.8Very high96.5Very high8 Ų821.2 Ų21.25%0.04811%0.106CC..Hα-helixtrans-56.6-46.6176168.40000110.9G100 I102 K108 F258 H261 E262G100-V104 VanDerWaalsContact O-CG2 3.3Å; G100-V104 WeakPolarHBondContact O-CG2 3.42Å; G100-V104 PolarHBondContact O-N 3.25Å; I102-V104 PolarHBondContact O-N 3.05Å; V104-K108 HydrophobicContact CG1-CD 4.12Å; V104-K108 WeakPolarHBondContact O-CB 3.36Å; V104-K108 WeakPolarHBondContact O-CG 3.46Å; V104-K108 PolarHBondContact O-N 3.3Å; V104-F258 HydrophobicContact CB-CD2 4.42Å; V104-F258 HydrophobicContact CB-CE2 4.12Å; V104-F258 HydrophobicContact CG1-CE2 4.08Å; V104-F258 HydrophobicContact CG1-CZ 4.07Å; V104-F258 HydrophobicContact CG2-CD2 3.92Å; V104-F258 HydrophobicContact CG2-CE2 4.04Å; V104-F258 HydrophobicContact CG2-CG 4.24Å; V104-F258 HydrophobicContact CG2-CZ 4.45Å; V104-H261 HydrophobicContact CG2-CB 4.1Å; V104-E262 HydrophobicContact CG1-CB 4.44Å; V104-E262 HydrophobicContact CG2-CB 4.33Å
105S98.6Very high96.1Very high13 Ų1323.6 Ų23.69%0.09112%0.124CC..Hα-helixtrans-64.6-45.8-178.6-57.10000111.8F55 K101 I102 A103 K108 A109F55-S105 WeakPolarHBondContact CB-O 3.47Å; K101-S105 WeakPolarHBondContact O-CB 3.36Å; K101-S105 PolarHBondContact O-N 3.39Å; K101-S105 VanDerWaalsContact O-N 3.09Å; K101-S105 PolarHBondContact O-OG 3.02Å; I102-S105 PolarHBondContact O-N 3.06Å; A103-S105 VanDerWaalsContact C-N 3.3Å; A103-S105 PolarHBondContact O-N 3.26Å; S105-K108 PolarHBondContact O-N 3.35Å; S105-A109 WeakPolarHBondContact O-CB 3.36Å; S105-A109 PolarHBondContact O-N 2.62Å
106I98.3Very high95.4Very high1 Ų128 Ų281%0.00514%0.137CC..Hα-helixtrans-64.1-46.8178.8-62.2166.4000110.8I102 A103 K108 A109 L110 V124 V129 M139 L187 T190 M191I102-I106 HydrophobicContact CG2-CD1 3.59Å; I102-I106 HydrophobicContact CG2-CG1 4.32Å; I102-I106 WeakPolarHBondContact O-CG1 3.34Å; I102-I106 PolarHBondContact O-N 3.11Å; A103-I106 PolarHBondContact O-N 3.43Å; I106-K108 PolarHBondContact O-N 3.22Å; I106-A109 PolarHBondContact O-N 2.98Å; I106-L110 HydrophobicContact CG2-CD1 3.72Å; I106-L110 HydrophobicContact CG2-CG 4.13Å; I106-L110 WeakPolarHBondContact O-CB 3.27Å; I106-L110 VanDerWaalsContact O-CG 3.29Å; I106-L110 WeakPolarHBondContact O-CG 3.36Å; I106-L110 PolarHBondContact O-N 2.62Å; I106-V124 HydrophobicContact CG2-CG1 4.31Å; I106-V129 HydrophobicContact CD1-CG1 4.2Å; I106-V129 HydrophobicContact CD1-CG2 3.89Å; I106-V129 HydrophobicContact CG1-CG1 4.06Å; I106-V129 HydrophobicContact CG1-CG2 4.16Å; I106-M139 HydrophobicContact CB-SD 4.28Å; I106-M139 HydrophobicContact CG1-SD 3.9Å; I106-M139 HydrophobicContact CG2-SD 3.85Å; I106-L187 HydrophobicContact CB-CD1 4.1Å; I106-L187 HydrophobicContact CD1-CD1 4.12Å; I106-L187 HydrophobicContact CG2-CD1 3.76Å; I106-T190 HydrophobicContact CD1-CG2 4.47Å; I106-M191 HydrophobicContact CD1-SD 4.39Å
107V98.4Very high94.5Very high0 Ų027.6 Ų27.60%014%0.137CC..Hα-helixtrans-62.9-42.6-179.5169.60000111.2A103 L110 E111 L187 F234 L252 M253 F258A103-V107 WeakPolarHBondContact O-CB 3.34Å; A103-V107 WeakPolarHBondContact O-CG2 3.41Å; A103-V107 PolarHBondContact O-N 2.99Å; V107-L110 PolarHBondContact O-N 2.88Å; V107-E111 WeakPolarHBondContact O-CB 3.42Å; V107-E111 PolarHBondContact O-N 3.34Å; V107-L187 HydrophobicContact CG2-CD2 3.52Å; V107-F234 HydrophobicContact CG2-CZ 4.16Å; V107-L252 HydrophobicContact CG1-CB 4.27Å; V107-L252 HydrophobicContact CG2-CD1 4.44Å; V107-M253 HydrophobicContact CG1-CE 3.92Å; V107-M253 HydrophobicContact CG1-CG 3.73Å; V107-F258 HydrophobicContact CB-CD2 4.17Å; V107-F258 HydrophobicContact CB-CE2 3.8Å; V107-F258 HydrophobicContact CG1-CD2 4.09Å; V107-F258 HydrophobicContact CG1-CE2 3.7Å
108K97.5Very high93.6Very high51 Ų5129.6 Ų29.622%0.22216%0.155CC..Hα-helixtrans-64.3-41.1175.1-74.1-174.9177-1730112.6F55 V104 S105 I106 H112 M253 F258 E262F55-K108 HydrophobicContact CD2-CB 3.46Å; F55-K108 VanDerWaalsContact CD2-CB 3.46Å; F55-K108 HydrophobicContact CD2-CD 3.97Å; F55-K108 HydrophobicContact CD2-CG 4.35Å; F55-K108 HydrophobicContact CE1-CD 4.34Å; F55-K108 HydrophobicContact CE2-CB 3.74Å; F55-K108 HydrophobicContact CE2-CD 3.29Å; F55-K108 HydrophobicContact CE2-CG 4.14Å; F55-K108 HydrophobicContact CG-CB 3.99Å; F55-K108 HydrophobicContact CZ-CB 4.45Å; F55-K108 HydrophobicContact CZ-CD 3.5Å; V104-K108 HydrophobicContact CG1-CD 4.12Å; V104-K108 WeakPolarHBondContact O-CB 3.36Å; V104-K108 WeakPolarHBondContact O-CG 3.46Å; V104-K108 PolarHBondContact O-N 3.3Å; S105-K108 PolarHBondContact O-N 3.35Å; I106-K108 PolarHBondContact O-N 3.22Å; K108-H112 WeakPolarHBondContact O-CB 3.11Å; K108-H112 PolarHBondContact O-N 3.12Å; K108-M253 HydrophobicContact CB-CE 4.42Å; K108-M253 HydrophobicContact CG-CE 3.96Å; K108-F258 HydrophobicContact CD-CZ 4.45Å; K108-F258 HydrophobicContact CG-CE2 4.4Å; K108-F258 HydrophobicContact CG-CZ 3.99Å; K108-E262 WeakPolarHBondContact CE-OE1 2.92Å; K108-E262 IonicContact NZ-OE1 2.75Å; K108-E262 PolarHBondContact NZ-OE1 3.5Å
109A94.8Very high92.6Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-61.3-49.4175.100000111.5F55 T56 S105 I106 H112 L113 M139F55-A109 HydrophobicContact CB-CB 3.8Å; F55-A109 WeakPolarHBondContact O-CB 3.33Å; T56-A109 HydrophobicContact CG2-CB 4.05Å; S105-A109 WeakPolarHBondContact O-CB 3.36Å; S105-A109 PolarHBondContact O-N 2.62Å; I106-A109 PolarHBondContact O-N 2.98Å; A109-H112 PolarHBondContact O-N 3.08Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.37Å; A109-L113 PolarHBondContact O-N 3.41Å; A109-M139 HydrophobicContact CB-CB 3.92Å; A109-M139 HydrophobicContact CB-CG 3.4Å
110L93.6Very high91.7Very high2 Ų231.8 Ų31.81%0.0117%0.167CC..Hα-helixtrans-66-41.9-177.9-70175.1000113I106 V107 H112 H114 H121 V124 D183 Y249I106-L110 HydrophobicContact CG2-CD1 3.72Å; I106-L110 HydrophobicContact CG2-CG 4.13Å; I106-L110 WeakPolarHBondContact O-CB 3.27Å; I106-L110 VanDerWaalsContact O-CG 3.29Å; I106-L110 WeakPolarHBondContact O-CG 3.36Å; I106-L110 PolarHBondContact O-N 2.62Å; V107-L110 PolarHBondContact O-N 2.88Å; L110-H112 VanDerWaalsContact C-N 3.32Å; L110-H114 WeakPolarHBondContact O-CB 3.49Å; L110-H114 PolarHBondContact O-N 3.49Å; L110-H121 HydrophobicContact CD2-CB 3.55Å; L110-V124 HydrophobicContact CD1-CG2 4.1Å; L110-V124 HydrophobicContact CD2-CG2 3.76Å; L110-D183 HydrophobicContact CD1-CB 4.46Å; L110-Y249 HydrophobicContact CB-CD1 4.29Å; L110-Y249 HydrophobicContact CB-CE1 3.59Å; L110-Y249 HydrophobicContact CB-CE2 4.17Å; L110-Y249 HydrophobicContact CD1-CE1 3.9Å; L110-Y249 HydrophobicContact CG-CE1 4.39Å
111E94.9Very high91Very high53 Ų5332 Ų3225%0.24817%0.168CC..Hα-helixtrans-60.2-46.3174-173.1-78.5143.100110.6V107 H114 S115 Y249 M253V107-E111 WeakPolarHBondContact O-CB 3.42Å; V107-E111 PolarHBondContact O-N 3.34Å; E111-H114 PolarHBondContact O-N 2.81Å; E111-S115 WeakPolarHBondContact O-CB 3.3Å; E111-S115 PolarHBondContact O-N 3.06Å; E111-S115 PolarHBondContact O-OG 2.85Å; E111-S115 VanDerWaalsContact O-OG 3.09Å; E111-S115 WeakPolarHBondContact OE1-CB 3.47Å; E111-S115 PolarHBondContact OE1-OG 2.9Å; E111-Y249 HydrophobicContact CB-CD2 4.29Å; E111-Y249 HydrophobicContact CB-CG 4.1Å; E111-M253 HydrophobicContact CB-CE 3.29Å; E111-M253 HydrophobicContact CG-CE 3.55Å; E111-M253 HydrophobicContact CG-SD 4.2Å
112H91.1Very high90.2Very high28 Ų2833.1 Ų33.113%0.1317%0.171CC..Hα-helixtrans-63.5-45.4-179-177.791.5000112.3V51 C53 K108 A109 L110 H114 S115 K116V51-H112 WeakPolarHBondContact CG1-NE2 2.77Å; C53-H112 WeakPolarHBondContact CB-NE2 3.47Å; K108-H112 WeakPolarHBondContact O-CB 3.11Å; K108-H112 PolarHBondContact O-N 3.12Å; A109-H112 PolarHBondContact O-N 3.08Å; L110-H112 VanDerWaalsContact C-N 3.32Å; H112-H114 VanDerWaalsContact C-N 3.26Å; H112-H114 PolarHBondContact O-N 3.23Å; H112-S115 PolarHBondContact O-N 2.84Å; H112-K116 VanDerWaalsContact O-CB 3.32Å; H112-K116 WeakPolarHBondContact O-CB 3.48Å; H112-K116 PolarHBondContact O-N 3.48Å
113L86.3Confident89.4Confident1 Ų135.2 Ų35.21%0.00518%0.182CC..Hα-helixtrans-57-42.6173.7-70.2175.4000111.2T56 A109 L117 S118 V119 F142T56-L113 HydrophobicContact CG2-CD2 4.13Å; T56-L113 HydrophobicContact CG2-CG 4.26Å; A109-L113 VanDerWaalsContact O-CG 3.24Å; A109-L113 WeakPolarHBondContact O-CG 3.37Å; A109-L113 PolarHBondContact O-N 3.41Å; L113-L117 HydrophobicContact CD2-CD1 3.92Å; L113-L117 CarbonylContact O-C 3.45Å; L113-L117 WeakPolarHBondContact O-CA 3.32Å; L113-L117 VanDerWaalsContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CB 3.22Å; L113-L117 PolarHBondContact O-N 2.79Å; L113-S118 PolarHBondContact O-N 2.93Å; L113-V119 CarbonylContact C-O 3.57Å; L113-V119 HydrophobicContact CB-CB 4.47Å; L113-V119 PolarHBondContact O-N 2.97Å; L113-F142 HydrophobicContact CD1-CB 3.64Å; L113-F142 HydrophobicContact CD1-CD1 4.48Å; L113-F142 HydrophobicContact CD1-CD2 4.47Å; L113-F142 HydrophobicContact CD1-CG 3.99Å; L113-F142 HydrophobicContact CD2-CB 4.07Å; L113-F142 HydrophobicContact CD2-CD1 4.42Å; L113-F142 HydrophobicContact CD2-CD2 3.35Å; L113-F142 HydrophobicContact CD2-CE2 3.82Å; L113-F142 HydrophobicContact CD2-CG 3.71Å
114H87.1Confident89.1Confident80 Ų8035.2 Ų35.237%0.3718%0.182SC..Hα-helixtrans-72.2-49-179.5179.4-110.8000112.5L110 E111 H112 S118 V119 V180 Y249L110-H114 WeakPolarHBondContact O-CB 3.49Å; L110-H114 PolarHBondContact O-N 3.49Å; E111-H114 PolarHBondContact O-N 2.81Å; H112-H114 VanDerWaalsContact C-N 3.26Å; H112-H114 PolarHBondContact O-N 3.23Å; H114-S118 VanDerWaalsContact O-CA 3.26Å; H114-S118 WeakPolarHBondContact O-CA 3.38Å; H114-S118 PolarHBondContact O-N 2.87Å; H114-S118 VanDerWaalsContact O-N 3.14Å; H114-V119 WeakPolarHBondContact CA-O 3.28Å; H114-V119 PolarHBondContact N-O 2.71Å; H114-V180 HydrophobicContact CB-CG1 4.32Å; H114-V180 WeakPolarHBondContact CD2-CG1 3.46Å; H114-V180 WeakPolarHBondContact NE2-CG1 3.48Å; H114-Y249 HydrophobicContact CB-CD2 4.42Å; H114-Y249 HydrophobicContact CB-CE2 4.13Å
115S89.1Confident88.8Confident56 Ų5636.7 Ų36.739%0.39219%0.188SC..Hα-helixtrans-80-31.5-171.269.90000113.8E111 H112E111-S115 WeakPolarHBondContact O-CB 3.3Å; E111-S115 PolarHBondContact O-N 3.06Å; E111-S115 PolarHBondContact O-OG 2.85Å; E111-S115 VanDerWaalsContact O-OG 3.09Å; E111-S115 WeakPolarHBondContact OE1-CB 3.47Å; E111-S115 PolarHBondContact OE1-OG 2.9Å; H112-S115 PolarHBondContact O-N 2.84Å
116K85.3Confident88.7Confident145 Ų14536.1 Ų36.163%0.6318%0.184SC*.Hα-helixtrans-99.2-33.4-178.3-57.2-57.1-176.9-178.40113.5H112H112-K116 VanDerWaalsContact O-CB 3.32Å; H112-K116 WeakPolarHBondContact O-CB 3.48Å; H112-K116 PolarHBondContact O-N 3.48Å
117L78.4Confident88.4Confident35 Ų3538.2 Ų38.218%0.18320%0.198CC..Hα-helixtrans-111.1-6.4-174.8-63.5176.2000113.6V51 L113 V119V51-L117 HydrophobicContact CB-CD2 4.28Å; V51-L117 HydrophobicContact CG1-CD1 4.22Å; V51-L117 HydrophobicContact CG1-CD2 4.44Å; V51-L117 HydrophobicContact CG1-CG 4.31Å; V51-L117 HydrophobicContact CG2-CD2 3.55Å; V51-L117 HydrophobicContact CG2-CG 4.26Å; L113-L117 HydrophobicContact CD2-CD1 3.92Å; L113-L117 CarbonylContact O-C 3.45Å; L113-L117 WeakPolarHBondContact O-CA 3.32Å; L113-L117 VanDerWaalsContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CB 3.22Å; L113-L117 PolarHBondContact O-N 2.79Å; L117-V119 HydrophobicContact CB-CB 4.26Å; L117-V119 HydrophobicContact CB-CG2 3.88Å; L117-V119 PolarHBondContact O-N 3.38Å
118S79.9Confident88.1Confident100 Ų10038.6 Ų38.670%0.69920%0.2SC*.  trans54.529.1-171.8-54.90000113.1L113 H114L113-S118 PolarHBondContact O-N 2.93Å; H114-S118 VanDerWaalsContact O-CA 3.26Å; H114-S118 WeakPolarHBondContact O-CA 3.38Å; H114-S118 PolarHBondContact O-N 2.87Å; H114-S118 VanDerWaalsContact O-N 3.14Å
119V78.9Confident88Confident11 Ų1136.1 Ų36.17%0.06719%0.19CC..  trans-101.1133.2-178.1171.90000110.2L113 H114 L117L113-V119 CarbonylContact C-O 3.57Å; L113-V119 HydrophobicContact CB-CB 4.47Å; L113-V119 PolarHBondContact O-N 2.97Å; H114-V119 WeakPolarHBondContact CA-O 3.28Å; H114-V119 PolarHBondContact N-O 2.71Å; L117-V119 HydrophobicContact CB-CB 4.26Å; L117-V119 HydrophobicContact CB-CG2 3.88Å; L117-V119 PolarHBondContact O-N 3.38Å
120I78.5Confident88.1Confident41 Ų4137.4 Ų37.421%0.2120%0.196CC..  trans-98.7133.4165.9-55.5177.4000107.3R122 V180 D183I120-R122 HydrophobicContact CB-CG 4.26Å; I120-R122 HydrophobicContact CG2-CG 3.86Å; I120-V180 HydrophobicContact CG1-CG1 4.16Å; I120-D183 WeakPolarHBondContact CG2-OD2 2.88Å
121H84Confident88.3Confident6 Ų637.3 Ų37.33%0.02820%0.196CC..  trans-70.8-43.7-173.5-170.7-76.4000112.1L110 D123 V124 M139 C140 D183L110-H121 HydrophobicContact CD2-CB 3.55Å; H121-D123 PolarHBondContact CE1-O 3.43Å; H121-D123 VanDerWaalsContact CE1-O 3.29Å; H121-D123 VanDerWaalsContact ND1-C 3.29Å; H121-D123 PolarHBondContact ND1-N 2.8Å; H121-D123 PolarHBondContact ND1-O 3.18Å; H121-D123 PolarHBondContact O-N 3.4Å; H121-V124 HydrophobicContact CB-CG2 4.02Å; H121-V124 PolarHBondContact ND1-N 2.89Å; H121-M139 WeakPolarHBondContact NE2-CE 3.42Å; H121-C140 PolarHBondContact NE2-O 2.93Å; H121-D183 WeakPolarHBondContact CB-OD2 3.35Å; H121-D183 PolarHBondContact N-OD2 2.87Å
122R82.7Confident88.4Confident64 Ų6435.4 Ų35.424%0.24219%0.187CC..  trans66.9-12.3177-55.1178.9177.8-177.20.8116.9I120 D150 R168 D183I120-R122 HydrophobicContact CB-CG 4.26Å; I120-R122 HydrophobicContact CG2-CG 3.86Å; R122-D150 IonicContact NH1-OD1 3.55Å; R122-R168 PolarHBondContact O-NH1 3.09Å; R122-D183 VanDerWaalsContact CA-OD1 3.27Å; R122-D183 WeakPolarHBondContact CA-OD1 3.33Å; R122-D183 PolarHBondContact N-OD1 2.92Å; R122-D183 PolarHBondContact N-OD2 2.76Å
123D82.6Confident88.6Confident44 Ų4435 Ų3524%0.23519%0.189CC..  trans-135.447.3-178.9-163.129.3000113H121 K125 N128H121-D123 PolarHBondContact CE1-O 3.43Å; H121-D123 VanDerWaalsContact CE1-O 3.29Å; H121-D123 VanDerWaalsContact ND1-C 3.29Å; H121-D123 PolarHBondContact ND1-N 2.8Å; H121-D123 PolarHBondContact ND1-O 3.18Å; H121-D123 PolarHBondContact O-N 3.4Å; D123-K125 PolarHBondContact O-N 3.37Å; D123-K125 WeakPolarHBondContact OD1-CE 3.3Å; D123-K125 IonicContact OD1-NZ 3.08Å; D123-K125 PolarHBondContact OD1-NZ 3.47Å; D123-K125 VanDerWaalsContact OD2-CE 3.29Å; D123-K125 WeakPolarHBondContact OD2-CE 3.41Å; D123-K125 IonicContact OD2-NZ 2.7Å; D123-K125 PolarHBondContact OD2-NZ 2.8Å; D123-N128 VanDerWaalsContact CG-ND2 3.3Å; D123-N128 PolarHBondContact O-ND2 2.83Å; D123-N128 PolarHBondContact OD2-ND2 3.25Å
124V91.8Very high89.2Confident1 Ų141.1 Ų41.11%0.00622%0.221CC..  trans-73118.8177.4-177.40000109.7I106 L110 H121 M139 D183 S186 L187I106-V124 HydrophobicContact CG2-CG1 4.31Å; L110-V124 HydrophobicContact CD1-CG2 4.1Å; L110-V124 HydrophobicContact CD2-CG2 3.76Å; H121-V124 HydrophobicContact CB-CG2 4.02Å; H121-V124 PolarHBondContact ND1-N 2.89Å; V124-M139 HydrophobicContact CG1-CE 4.36Å; V124-M139 HydrophobicContact CG2-CE 4.25Å; V124-D183 HydrophobicContact CG2-CB 4.12Å; V124-S186 WeakPolarHBondContact O-CB 3.48Å; V124-L187 HydrophobicContact CG1-CB 4.47Å
125K93.2Very high89.6Confident39 Ų3938 Ų3817%0.1721%0.211CC..SBendtrans-164.4161.8179.261.2-172.3175-149.50110.1D123 S127 N128 Y163 T190D123-K125 PolarHBondContact O-N 3.37Å; D123-K125 WeakPolarHBondContact OD1-CE 3.3Å; D123-K125 IonicContact OD1-NZ 3.08Å; D123-K125 PolarHBondContact OD1-NZ 3.47Å; D123-K125 VanDerWaalsContact OD2-CE 3.29Å; D123-K125 WeakPolarHBondContact OD2-CE 3.41Å; D123-K125 IonicContact OD2-NZ 2.7Å; D123-K125 PolarHBondContact OD2-NZ 2.8Å; K125-S127 WeakPolarHBondContact CD-OG 3.33Å; K125-S127 VanDerWaalsContact CE-OG 3.25Å; K125-S127 WeakPolarHBondContact CE-OG 3.23Å; K125-S127 WeakPolarHBondContact CG-OG 3.44Å; K125-S127 PolarHBondContact O-N 3.08Å; K125-N128 WeakPolarHBondContact CE-ND2 3.45Å; K125-N128 HydrophobicContact CG-CB 4.37Å; K125-N128 PolarHBondContact O-N 2.97Å; K125-Y163 HydrophobicContact CB-CD1 3.9Å; K125-Y163 HydrophobicContact CB-CD2 3.76Å; K125-Y163 HydrophobicContact CB-CE1 3.95Å; K125-Y163 HydrophobicContact CB-CE2 3.78Å; K125-Y163 HydrophobicContact CB-CG 3.83Å; K125-Y163 HydrophobicContact CD-CD2 4.18Å; K125-Y163 HydrophobicContact CD-CE2 4.2Å; K125-T190 WeakPolarHBondContact CA-OG1 3.36Å
126P96.1Very high90Very high1 Ų139.3 Ų39.31%0.00621%0.211CC..G310 helixtrans-53.5-31.4-177.9-27.934.2000115.2L80 D81 Y84 N128 V129 Y163 T190 E193 L194L80-P126 HydrophobicContact CB-CB 4.18Å; L80-P126 WeakPolarHBondContact CB-O 3.33Å; L80-P126 PolarHBondContact N-O 3.24Å; L80-P126 VanDerWaalsContact N-O 3.11Å; D81-P126 HydrophobicContact CB-CB 3.91Å; D81-P126 PolarHBondContact N-O 2.83Å; Y84-P126 HydrophobicContact CE1-CB 4.31Å; P126-N128 VanDerWaalsContact C-N 3.29Å; P126-N128 PolarHBondContact O-N 3.24Å; P126-V129 PolarHBondContact O-N 3.18Å; P126-Y163 HydrophobicContact CG-CE1 4.49Å; P126-T190 HydrophobicContact CG-CG2 4.02Å; P126-E193 HydrophobicContact CG-CG 4.37Å; P126-L194 HydrophobicContact CB-CD2 4.3Å; P126-L194 HydrophobicContact CG-CD2 4.42Å
127S91.6Very high90.7Very high44 Ų4432.7 Ų32.731%0.30818%0.182SC..G310 helixtrans-74.7-14.8179.353.90000114.9D81 K125D81-S127 WeakPolarHBondContact OD1-CA 3.39Å; D81-S127 WeakPolarHBondContact OD1-CB 3.5Å; K125-S127 WeakPolarHBondContact CD-OG 3.33Å; K125-S127 VanDerWaalsContact CE-OG 3.25Å; K125-S127 WeakPolarHBondContact CE-OG 3.23Å; K125-S127 WeakPolarHBondContact CG-OG 3.44Å; K125-S127 PolarHBondContact O-N 3.08Å
128N92Very high91.5Very high8 Ų831.8 Ų31.84%0.04318%0.177CC..G310 helixtrans-103.18.4175.5-70-14.3000112.9D123 K125 P126 C140D123-N128 VanDerWaalsContact CG-ND2 3.3Å; D123-N128 PolarHBondContact O-ND2 2.83Å; D123-N128 PolarHBondContact OD2-ND2 3.25Å; K125-N128 WeakPolarHBondContact CE-ND2 3.45Å; K125-N128 HydrophobicContact CG-CB 4.37Å; K125-N128 PolarHBondContact O-N 2.97Å; P126-N128 VanDerWaalsContact C-N 3.29Å; P126-N128 PolarHBondContact O-N 3.24Å; N128-C140 PolarHBondContact O-N 3.4Å; N128-C140 PolarHBondContact O-SG 3.22Å
129V96.1Very high92.1Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-112.2122.8171-167.20000107.6S79 L80 I106 P126 V137 M139S79-V129 CarbonylContact C-O 3.54Å; S79-V129 VanDerWaalsContact CA-O 3.31Å; S79-V129 WeakPolarHBondContact CA-O 3.06Å; L80-V129 HydrophobicContact CB-CB 4.43Å; L80-V129 HydrophobicContact CD1-CB 3.66Å; L80-V129 HydrophobicContact CD1-CG1 3.48Å; L80-V129 VanDerWaalsContact CD1-CG1 3.48Å; L80-V129 HydrophobicContact CD1-CG2 4.39Å; L80-V129 HydrophobicContact CG-CB 3.87Å; L80-V129 HydrophobicContact CG-CG1 3.94Å; L80-V129 PolarHBondContact N-O 2.7Å; I106-V129 HydrophobicContact CD1-CG1 4.2Å; I106-V129 HydrophobicContact CD1-CG2 3.89Å; I106-V129 HydrophobicContact CG1-CG1 4.06Å; I106-V129 HydrophobicContact CG1-CG2 4.16Å; P126-V129 PolarHBondContact O-N 3.18Å; V129-V137 HydrophobicContact CG1-CG1 3.52Å; V129-M139 HydrophobicContact CB-SD 4.44Å; V129-M139 HydrophobicContact CG1-SD 4.44Å; V129-M139 HydrophobicContact CG2-SD 3.68Å
130L96.9Very high92.5Very high27 Ų2727 Ų2714%0.14114%0.143CC..EExtended strand (participates in β ladder)trans-107.5150.9-177.1-52.9-173.4000111V57 M76 T78 V137 K138 C140V57-L130 HydrophobicContact CG2-CD1 3.87Å; M76-L130 HydrophobicContact CB-CB 3.68Å; M76-L130 HydrophobicContact CB-CD1 3.87Å; M76-L130 HydrophobicContact CB-CG 4.38Å; M76-L130 HydrophobicContact CE-CB 4.28Å; M76-L130 HydrophobicContact CG-CB 3.69Å; M76-L130 HydrophobicContact CG-CD1 3.73Å; M76-L130 HydrophobicContact CG-CG 4.37Å; T78-L130 WeakPolarHBondContact O-CA 3.38Å; L130-V137 CarbonylContact O-C 3.52Å; L130-V137 WeakPolarHBondContact O-CA 3.39Å; L130-K138 PolarHBondContact N-O 3.38Å; L130-K138 PolarHBondContact O-N 3.02Å; L130-C140 HydrophobicContact CD1-CB 3.82Å; L130-C140 HydrophobicContact CG-CB 4.08Å
131I98.1Very high92.2Very high0 Ų027.1 Ų27.10%015%0.145CC..EExtended strand (participates in β ladder)trans-135.4149.4178-163.6162.3000110.7D77 T78 L80 F83 Q136 V137 V268 V272D77-I131 PolarHBondContact N-O 3.44Å; T78-I131 HydrophobicContact CG2-CG2 3.77Å; T78-I131 PolarHBondContact N-O 3.01Å; T78-I131 PolarHBondContact O-N 3.01Å; L80-I131 HydrophobicContact CD2-CB 4Å; L80-I131 HydrophobicContact CD2-CD1 4.21Å; L80-I131 HydrophobicContact CD2-CG2 3.96Å; F83-I131 HydrophobicContact CB-CG2 4.38Å; F83-I131 HydrophobicContact CD2-CG2 4.06Å; F83-I131 HydrophobicContact CG-CG2 4.16Å; I131-Q136 VanDerWaalsContact CA-O 3.32Å; I131-Q136 WeakPolarHBondContact CA-O 3.42Å; I131-V137 HydrophobicContact CD1-CG2 3.92Å; I131-V137 HydrophobicContact CG1-CG2 4.1Å; I131-V268 HydrophobicContact CD1-CG1 4.25Å; I131-V272 HydrophobicContact CD1-CG2 3.33Å; I131-V272 HydrophobicContact CG1-CG2 3.7Å
132N96.8Very high91.4Very high13 Ų1327.6 Ų27.67%0.0715%0.147CC..  trans-131.3167.1176.871.318.1000113.1M76 D77 L134 G135 Q136 V272M76-N132 HydrophobicContact CE-CB 3.85Å; M76-N132 HydrophobicContact SD-CB 4.2Å; D77-N132 WeakPolarHBondContact OD2-CA 3.47Å; D77-N132 WeakPolarHBondContact OD2-CB 3.41Å; N132-L134 PolarHBondContact O-N 2.93Å; N132-L134 VanDerWaalsContact O-N 3.1Å; N132-L134 WeakPolarHBondContact OD1-CB 3.29Å; N132-L134 PolarHBondContact OD1-N 3.31Å; N132-L134 VanDerWaalsContact OD1-N 3.16Å; N132-G135 WeakPolarHBondContact O-CA 3.19Å; N132-G135 PolarHBondContact O-N 3.36Å; N132-G135 PolarHBondContact OD1-N 3.44Å; N132-Q136 PolarHBondContact N-O 2.93Å; N132-Q136 PolarHBondContact ND2-OE1 3.44Å; N132-Q136 WeakPolarHBondContact OD1-CB 3.49Å; N132-Q136 PolarHBondContact OD1-N 2.93Å; N132-V272 WeakPolarHBondContact O-CG1 3.26Å
133A96.2Very high90Very high20 Ų2024.7 Ų24.717%0.16514%0.137CC..THydrogen-bonded Turntrans-64.9-10.2-178.500000114.2D77 G135 K273D77-A133 PolarHBondContact OD2-N 2.73Å; A133-G135 VanDerWaalsContact C-N 3.26Å; A133-K273 HydrophobicContact CB-CG 4.24Å; A133-K273 VanDerWaalsContact O-CE 3.31Å; A133-K273 WeakPolarHBondContact O-CE 3.3Å
134L97.1Very high88.6Confident129 Ų12923.3 Ų23.368%0.67513%0.129SC*.THydrogen-bonded Turntrans-84.8-1.2169.2-57.6175.2000112.2N132 Q136N132-L134 PolarHBondContact O-N 2.93Å; N132-L134 VanDerWaalsContact O-N 3.1Å; N132-L134 WeakPolarHBondContact OD1-CB 3.29Å; N132-L134 PolarHBondContact OD1-N 3.31Å; N132-L134 VanDerWaalsContact OD1-N 3.16Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 HydrophobicContact CB-CG 4.29Å
135G96.9Very high86.5Confident15 Ų1523.9 Ų23.916%0.15513%0.133CC..  trans77.814.6-178.300000114.3N132 A133 V268N132-G135 WeakPolarHBondContact O-CA 3.19Å; N132-G135 PolarHBondContact O-N 3.36Å; N132-G135 PolarHBondContact OD1-N 3.44Å; A133-G135 VanDerWaalsContact C-N 3.26Å; G135-V268 WeakPolarHBondContact O-CG1 3.43Å
136Q97.9Very high84.3Confident83 Ų8323.1 Ų23.139%0.38814%0.137SC..  trans-81.5134.4177.8-59.5173.2-30.600110.1M76 I131 N132 L134M76-Q136 HydrophobicContact CE-CB 4.48Å; M76-Q136 WeakPolarHBondContact CE-O 3.37Å; I131-Q136 VanDerWaalsContact CA-O 3.32Å; I131-Q136 WeakPolarHBondContact CA-O 3.42Å; N132-Q136 PolarHBondContact N-O 2.93Å; N132-Q136 PolarHBondContact ND2-OE1 3.44Å; N132-Q136 WeakPolarHBondContact OD1-CB 3.49Å; N132-Q136 PolarHBondContact OD1-N 2.93Å; L134-Q136 VanDerWaalsContact C-N 3.33Å; L134-Q136 HydrophobicContact CB-CG 4.29Å
137V98.2Very high82.1Confident6 Ų628.3 Ų28.34%0.03616%0.157CC..EExtended strand (participates in β ladder)trans-114.2124.2175.8-179.10000108.5I102 V129 L130 I131I102-V137 HydrophobicContact CG1-CG1 4.29Å; I102-V137 HydrophobicContact CG1-CG2 3.96Å; I102-V137 HydrophobicContact CG2-CG1 4.43Å; V129-V137 HydrophobicContact CG1-CG1 3.52Å; L130-V137 CarbonylContact O-C 3.52Å; L130-V137 WeakPolarHBondContact O-CA 3.39Å; I131-V137 HydrophobicContact CD1-CG2 3.92Å; I131-V137 HydrophobicContact CG1-CG2 4.1Å
138K96.3Very high79.9Confident15 Ų1527.7 Ų27.77%0.06515%0.15CC..EExtended strand (participates in β ladder)trans-138.6139.2-173.3-60-172.5177.5-161.90112.7P54 F55 V57 E74 M76 L130P54-K138 VanDerWaalsContact O-CE 3.22Å; P54-K138 WeakPolarHBondContact O-CE 3.45Å; P54-K138 WeakPolarHBondContact O-CG 3.38Å; F55-K138 CarbonylContact O-C 3.6Å; F55-K138 VanDerWaalsContact O-CA 3.28Å; F55-K138 WeakPolarHBondContact O-CA 3.42Å; V57-K138 HydrophobicContact CG2-CB 3.99Å; E74-K138 WeakPolarHBondContact OE1-CD 3.47Å; E74-K138 WeakPolarHBondContact OE1-CE 3.47Å; E74-K138 IonicContact OE1-NZ 2.73Å; E74-K138 PolarHBondContact OE1-NZ 3.48Å; E74-K138 IonicContact OE2-NZ 3.55Å; E74-K138 PolarHBondContact OE2-NZ 3.21Å; M76-K138 HydrophobicContact CE-CB 4.2Å; M76-K138 HydrophobicContact CE-CD 4.16Å; M76-K138 HydrophobicContact CE-CG 4.07Å; M76-K138 HydrophobicContact SD-CD 4.18Å; L130-K138 PolarHBondContact N-O 3.38Å; L130-K138 PolarHBondContact O-N 3.02Å
139M92.4Very high77.7Confident1 Ų129.4 Ų29.41%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-77.3135.1172.1-67.6-65-62.100110.6F55 V57 I106 A109 H121 V124 V129F55-M139 PolarHBondContact O-N 3.06Å; V57-M139 WeakPolarHBondContact CG2-O 3.39Å; V57-M139 PolarHBondContact N-O 3.32Å; I106-M139 HydrophobicContact CB-SD 4.28Å; I106-M139 HydrophobicContact CG1-SD 3.9Å; I106-M139 HydrophobicContact CG2-SD 3.85Å; A109-M139 HydrophobicContact CB-CB 3.92Å; A109-M139 HydrophobicContact CB-CG 3.4Å; H121-M139 WeakPolarHBondContact NE2-CE 3.42Å; V124-M139 HydrophobicContact CG1-CE 4.36Å; V124-M139 HydrophobicContact CG2-CE 4.25Å; V129-M139 HydrophobicContact CB-SD 4.44Å; V129-M139 HydrophobicContact CG1-SD 4.44Å; V129-M139 HydrophobicContact CG2-SD 3.68Å
140C87Confident75.1Confident9 Ų934.6 Ų34.66%0.06119%0.188CC..  trans-116.3176.4170.970.70000111.3V57 H121 N128 L130 F142V57-C140 HydrophobicContact CB-CB 4.31Å; V57-C140 HydrophobicContact CG2-CB 3.75Å; H121-C140 PolarHBondContact NE2-O 2.93Å; N128-C140 PolarHBondContact O-N 3.4Å; N128-C140 PolarHBondContact O-SG 3.22Å; L130-C140 HydrophobicContact CD1-CB 3.82Å; L130-C140 HydrophobicContact CG-CB 4.08Å; C140-F142 VanDerWaalsContact C-N 3.29Å; C140-F142 PolarHBondContact O-N 3.14Å
141D71.6Confident72.3Confident45 Ų4536.4 Ų36.424%0.24120%0.203CC..  trans61.826.9170.5-78.4-13.7000116.4K26 S145K26-D141 IonicContact NZ-OD1 3.56Å; K26-D141 PolarHBondContact NZ-OD1 3.34Å; K26-D141 IonicContact NZ-OD2 2.68Å; K26-D141 PolarHBondContact NZ-OD2 3.24Å; D141-S145 PolarHBondContact O-OG 2.87Å
142F68.1Low69.4Low15 Ų1542.1 Ų42.17%0.06624%0.238CC..  trans-77.6139.3171.450.6-82.9000111.6M48 T56 L113 C140 I144M48-F142 HydrophobicContact CE-CD2 3.23Å; M48-F142 HydrophobicContact CE-CE2 3.24Å; M48-F142 HydrophobicContact CE-CG 4.18Å; M48-F142 HydrophobicContact CE-CZ 4.18Å; M48-F142 WeakPolarHBondContact CE-O 3.43Å; M48-F142 HydrophobicContact CG-CE2 3.93Å; M48-F142 HydrophobicContact SD-CD2 4.19Å; M48-F142 HydrophobicContact SD-CE2 3.56Å; M48-F142 VanDerWaalsContact SD-CE2 3.56Å; M48-F142 HydrophobicContact SD-CZ 4.1Å; T56-F142 HydrophobicContact CG2-CE1 4.23Å; T56-F142 HydrophobicContact CG2-CZ 4.4Å; L113-F142 HydrophobicContact CD1-CB 3.64Å; L113-F142 HydrophobicContact CD1-CD1 4.48Å; L113-F142 HydrophobicContact CD1-CD2 4.47Å; L113-F142 HydrophobicContact CD1-CG 3.99Å; L113-F142 HydrophobicContact CD2-CB 4.07Å; L113-F142 HydrophobicContact CD2-CD1 4.42Å; L113-F142 HydrophobicContact CD2-CD2 3.35Å; L113-F142 HydrophobicContact CD2-CE2 3.82Å; L113-F142 HydrophobicContact CD2-CG 3.71Å; C140-F142 VanDerWaalsContact C-N 3.29Å; C140-F142 PolarHBondContact O-N 3.14Å; F142-I144 VanDerWaalsContact C-N 3.26Å; F142-I144 PolarHBondContact O-N 3.44Å
143G53.5Low66.7Low3 Ų345.4 Ų45.43%0.03127%0.266CS..SBendtrans72-46.5168.800000117.3Y147G143-Y147 WeakPolarHBondContact O-CD2 3.44Å; G143-Y147 PolarHBondContact O-N 3.06Å
144I52.1Low64Low16 Ų1652 Ų528%0.08229%0.291CS..Hα-helixtrans-74.2-40.2-169-57.2166000111.7I28 L41 L44 M48 F59 I71 F142 L148I28-I144 HydrophobicContact CD1-CG2 4.3Å; L41-I144 HydrophobicContact CD2-CG2 3.45Å; L41-I144 VanDerWaalsContact CD2-CG2 3.45Å; L44-I144 HydrophobicContact CD2-CB 4Å; L44-I144 HydrophobicContact CD2-CG1 3.27Å; L44-I144 HydrophobicContact CG-CG1 3.89Å; M48-I144 HydrophobicContact CE-CD1 4.1Å; M48-I144 HydrophobicContact CE-CG1 3.95Å; M48-I144 HydrophobicContact SD-CD1 4.08Å; F59-I144 HydrophobicContact CD2-CD1 4.39Å; F59-I144 HydrophobicContact CE2-CD1 3.55Å; F59-I144 HydrophobicContact CZ-CD1 4.19Å; I71-I144 HydrophobicContact CD1-CB 4.23Å; I71-I144 HydrophobicContact CD1-CD1 3.78Å; I71-I144 HydrophobicContact CD1-CG2 3.61Å; I71-I144 HydrophobicContact CG1-CD1 4.21Å; I71-I144 HydrophobicContact CG2-CD1 4.31Å; F142-I144 VanDerWaalsContact C-N 3.26Å; F142-I144 PolarHBondContact O-N 3.44Å; I144-L148 HydrophobicContact CG2-CD1 3.84Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CD1 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.34Å; I144-L148 PolarHBondContact O-N 2.75Å
145S47.6Very low61.5Low12 Ų1249.5 Ų49.58%0.08428%0.282CS..Hα-helixtrans-72.7-42.117953.50000112.3D141 V149D141-S145 PolarHBondContact O-OG 2.87Å; S145-V149 VanDerWaalsContact O-CB 3.32Å; S145-V149 WeakPolarHBondContact O-CB 3.46Å; S145-V149 WeakPolarHBondContact O-CG2 3.46Å; S145-V149 PolarHBondContact O-N 2.95Å
146G48.7Very low59Low24 Ų2455.2 Ų55.225%0.24731%0.307CS..Hα-helixtrans-65.9-39.5-177.600000113.7
147Y48.3Very low56.3Low110 Ų11057.2 Ų57.243%0.43132%0.321SS..Hα-helixtrans-80-30.1179.5-79.2-97.1000113.3G143 V149G143-Y147 WeakPolarHBondContact O-CD2 3.44Å; G143-Y147 PolarHBondContact O-N 3.06Å; Y147-V149 PolarHBondContact O-N 3.29Å
148L45.7Very low53.4Low31 Ų3161.3 Ų61.316%0.16236%0.355CS..Hα-helixtrans-73.1-18.7174.5-73.5174.1000112.8I28 Q37 L41 I144I28-L148 HydrophobicContact CD1-CD1 4.1Å; I28-L148 HydrophobicContact CG2-CD1 4.45Å; Q37-L148 HydrophobicContact CB-CD2 4.42Å; L41-L148 HydrophobicContact CD1-CD2 4.14Å; L41-L148 HydrophobicContact CD2-CD1 4.17Å; L41-L148 HydrophobicContact CG-CD2 4.32Å; I144-L148 HydrophobicContact CG2-CD1 3.84Å; I144-L148 WeakPolarHBondContact O-CB 3.47Å; I144-L148 WeakPolarHBondContact O-CD1 3.47Å; I144-L148 WeakPolarHBondContact O-CG 3.34Å; I144-L148 PolarHBondContact O-N 2.75Å
149V45.8Very low51.2Low44 Ų4463.9 Ų63.927%0.26739%0.386SS..THydrogen-bonded Turntrans-127.937.1-167.9-163.80000111Y8 S145 Y147 S151Y8-V149 HydrophobicContact CD1-CG2 3.99Å; Y8-V149 HydrophobicContact CE1-CB 4.36Å; Y8-V149 HydrophobicContact CE1-CG1 3.86Å; Y8-V149 HydrophobicContact CE1-CG2 3.83Å; S145-V149 VanDerWaalsContact O-CB 3.32Å; S145-V149 WeakPolarHBondContact O-CB 3.46Å; S145-V149 WeakPolarHBondContact O-CG2 3.46Å; S145-V149 PolarHBondContact O-N 2.95Å; Y147-V149 PolarHBondContact O-N 3.29Å; V149-S151 PolarHBondContact O-N 3.48Å
150D41.5Very low49.7Very low109 Ų10967.3 Ų67.358%0.58341%0.409SS*.  trans-63.787.3166.3-94.2-22.7000109.2R122R122-D150 IonicContact NH1-OD1 3.55Å
151S38.8Very low49.1Very low64 Ų6470.6 Ų70.645%0.44842%0.422SS..  trans-158.391.2173-68.80000105.6V149 A153 K154V149-S151 PolarHBondContact O-N 3.48Å; S151-A153 PolarHBondContact O-N 3.35Å; S151-K154 PolarHBondContact O-N 3.17Å
152V36.9Very low49.6Very low121 Ų12168.8 Ų68.873%0.73341%0.413SS*.THydrogen-bonded Turntrans-47.6-16.1170.9-179.30000112.4
153A39.1Very low50.6Low81 Ų8169.4 Ų69.467%0.66942%0.415SS*.THydrogen-bonded Turntrans-86.32.5-173.700000117.3S151S151-A153 PolarHBondContact O-N 3.35Å
154K41.3Very low52.2Low158 Ų15871.3 Ų71.369%0.68742%0.424SS*.SBendtrans-114.9-2.6-173.1-76.7-173.6178178.10117.6S151 I156S151-K154 PolarHBondContact O-N 3.17Å; K154-I156 VanDerWaalsContact C-N 3.25Å; K154-I156 PolarHBondContact O-N 3.44Å
155T43.6Very low53.9Low78 Ų7870.5 Ų70.548%0.47942%0.42SS..  trans-867.1176.5-24.60000113.5D157 M164T155-D157 PolarHBondContact O-N 3.08Å; T155-M164 HydrophobicContact CG2-CE 4.18Å
156I44.3Very low55.9Low135 Ų13570.2 Ų70.269%0.69242%0.417SS*.  trans-90.945.1173.4-41177.9000109.3K154K154-I156 VanDerWaalsContact C-N 3.25Å; K154-I156 PolarHBondContact O-N 3.44Å
157D41.4Very low57.6Low125 Ų12569.7 Ų69.767%0.66841%0.409SS*.  trans-83.5129.9167.4-107-14.2000108.5T155 G159 C160T155-D157 PolarHBondContact O-N 3.08Å; D157-G159 PolarHBondContact O-N 3.48Å; D157-G159 VanDerWaalsContact O-N 3.08Å; D157-C160 PolarHBondContact O-N 2.75Å
158A38.3Very low59Low92 Ų9267.6 Ų67.676%0.7640%0.4SS*.THydrogen-bonded Turntrans-59113.4176.700000109.8P207A158-P207 HydrophobicContact CB-CG 4.37Å
159G48.3Very low60.4Low69 Ų6968.1 Ų68.171%0.71140%0.403SS*.THydrogen-bonded Turntrans112.7-1.817500000116.4D157D157-G159 PolarHBondContact O-N 3.48Å; D157-G159 VanDerWaalsContact O-N 3.08Å
160C61.6Low61.6Low72 Ų7268.6 Ų68.649%0.48640%0.403SS..  trans-81.2122.6176.9-148.40000111.5D157D157-C160 PolarHBondContact O-N 2.75Å
161K73.8Confident62.7Low78 Ų7867.7 Ų67.734%0.33940%0.403SS..  trans-60.7127.6177.5-72.8171.1173.7-176.50110.8Y84 Y163 E193 F199Y84-K161 PolarHBondContact OH-NZ 3.36Å; K161-Y163 HydrophobicContact CB-CD2 4.33Å; K161-Y163 HydrophobicContact CB-CE2 3.68Å; K161-Y163 HydrophobicContact CD-CE2 4.49Å; K161-Y163 WeakPolarHBondContact O-CD2 3.24Å; K161-Y163 PolarHBondContact O-N 2.75Å; K161-E193 IonicContact NZ-OE1 3.28Å; K161-E193 PolarHBondContact NZ-OE1 3.06Å; K161-F199 HydrophobicContact CB-CD1 4.36Å; K161-F199 HydrophobicContact CB-CD2 3.87Å; K161-F199 HydrophobicContact CB-CE1 4.16Å; K161-F199 HydrophobicContact CB-CE2 3.69Å; K161-F199 HydrophobicContact CB-CG 4.22Å; K161-F199 HydrophobicContact CB-CZ 3.85Å; K161-F199 HydrophobicContact CD-CB 3.85Å; K161-F199 HydrophobicContact CD-CD1 4.44Å; K161-F199 HydrophobicContact CD-CD2 3.61Å; K161-F199 HydrophobicContact CD-CE2 4.29Å; K161-F199 HydrophobicContact CD-CG 3.71Å; K161-F199 HydrophobicContact CG-CB 4.38Å; K161-F199 HydrophobicContact CG-CD1 4.12Å; K161-F199 HydrophobicContact CG-CD2 3.94Å; K161-F199 HydrophobicContact CG-CE1 4.4Å; K161-F199 HydrophobicContact CG-CE2 4.27Å; K161-F199 HydrophobicContact CG-CG 3.88Å; K161-F199 HydrophobicContact CG-CZ 4.49Å
162P82.5Confident63.8Low8 Ų872.7 Ų72.75%0.05242%0.42CS..  trans-80.491.2-176.231.9-37000112.4F199 Q210 L211 V214P162-F199 HydrophobicContact CG-CE1 4.16Å; P162-F199 HydrophobicContact CG-CZ 4.08Å; P162-Q210 HydrophobicContact CG-CB 4.22Å; P162-L211 HydrophobicContact CB-CD2 3.89Å; P162-V214 HydrophobicContact CB-CG2 4.13Å; P162-V214 HydrophobicContact CG-CG2 3.9Å
163Y89.4Confident64.9Low28 Ų2871.6 Ų71.611%0.1141%0.41CS..  trans-77.8-11.5167.7-61.1-88000112.8K125 P126 K161 W185 S186 I189 E193 F199K125-Y163 HydrophobicContact CB-CD1 3.9Å; K125-Y163 HydrophobicContact CB-CD2 3.76Å; K125-Y163 HydrophobicContact CB-CE1 3.95Å; K125-Y163 HydrophobicContact CB-CE2 3.78Å; K125-Y163 HydrophobicContact CB-CG 3.83Å; K125-Y163 HydrophobicContact CD-CD2 4.18Å; K125-Y163 HydrophobicContact CD-CE2 4.2Å; P126-Y163 HydrophobicContact CG-CE1 4.49Å; K161-Y163 HydrophobicContact CB-CD2 4.33Å; K161-Y163 HydrophobicContact CB-CE2 3.68Å; K161-Y163 HydrophobicContact CD-CE2 4.49Å; K161-Y163 WeakPolarHBondContact O-CD2 3.24Å; K161-Y163 PolarHBondContact O-N 2.75Å; Y163-W185 VanDerWaalsContact O-CD1 3.3Å; Y163-S186 PolarHBondContact O-OG 2.83Å; Y163-S186 VanDerWaalsContact O-OG 3.06Å; Y163-I189 HydrophobicContact CD1-CB 4.17Å; Y163-I189 HydrophobicContact CD1-CG2 3.53Å; Y163-I189 HydrophobicContact CE1-CG2 3.89Å; Y163-I189 HydrophobicContact CG-CG2 4.46Å; Y163-E193 WeakPolarHBondContact CE1-OE2 3.35Å; Y163-E193 VanDerWaalsContact CZ-OE2 3.23Å; Y163-E193 PolarHBondContact OH-OE1 2.67Å; Y163-E193 PolarHBondContact OH-OE2 3.23Å; Y163-F199 HydrophobicContact CD1-CE2 4.18Å; Y163-F199 HydrophobicContact CE1-CD2 4.17Å; Y163-F199 AromaticContact CE1-CE2 3.81Å; Y163-F199 HydrophobicContact CE1-CE2 3.81Å; Y163-F199 HydrophobicContact CE2-CE2 4.31Å; Y163-F199 AromaticContact CZ-CE2 3.88Å
164M87.1Confident65.5Low42 Ų4269.7 Ų69.721%0.20739%0.388CS..SBendtrans-67140.5-175.2-66.5-173.5-70.300111.9T155 R168 I169 W185 L211T155-M164 HydrophobicContact CG2-CE 4.18Å; M164-R168 HydrophobicContact CB-CB 4.43Å; M164-I169 HydrophobicContact CB-CG1 4.33Å; M164-W185 PolarHBondContact O-NE1 2.83Å; M164-L211 HydrophobicContact CE-CD2 4.4Å
165A88.7Confident66Low0 Ų071.6 Ų71.60%040%0.399CS..  trans-68.4153.6177.300000112.7E167 R168 I169 W185A165-E167 VanDerWaalsContact C-N 3.28Å; A165-E167 WeakPolarHBondContact CB-OE1 3.35Å; A165-E167 VanDerWaalsContact CB-OE2 3.23Å; A165-E167 WeakPolarHBondContact CB-OE2 3.33Å; A165-E167 PolarHBondContact O-N 3Å; A165-R168 WeakPolarHBondContact O-CB 3.39Å; A165-R168 PolarHBondContact O-N 3.03Å; A165-I169 PolarHBondContact O-N 3.39Å; A165-W185 VanDerWaalsContact CA-CD1 3.41Å; A165-W185 HydrophobicContact CB-CB 3.65Å; A165-W185 HydrophobicContact CB-CD2 4.21Å; A165-W185 HydrophobicContact CB-CG 3.59Å
166P88.4Confident66.2Low5 Ų577.2 Ų77.23%0.03242%0.417CS..Hα-helixtrans-54.8-40.2-176.3-23.530.4000113.8R168 I169 N170 W185 V214 K241P166-R168 PolarHBondContact O-N 2.84Å; P166-I169 PolarHBondContact O-N 3.48Å; P166-I169 VanDerWaalsContact O-N 3.1Å; P166-N170 PolarHBondContact O-N 3.39Å; P166-W185 HydrophobicContact CG-CE3 4.27Å; P166-W185 HydrophobicContact CG-CH2 3.72Å; P166-W185 HydrophobicContact CG-CZ2 4.01Å; P166-W185 HydrophobicContact CG-CZ3 3.86Å; P166-V214 HydrophobicContact CG-CG1 4.33Å; P166-V214 WeakPolarHBondContact CG-O 3.23Å; P166-K241 HydrophobicContact CG-CD 3.74Å
167E84.3Confident66.5Low13 Ų1373.6 Ų73.66%0.06141%0.413CS..Hα-helixtrans-66.4-20.4178.671.8-85.3-166.200114A165 N174 S182 R246A165-E167 VanDerWaalsContact C-N 3.28Å; A165-E167 WeakPolarHBondContact CB-OE1 3.35Å; A165-E167 VanDerWaalsContact CB-OE2 3.23Å; A165-E167 WeakPolarHBondContact CB-OE2 3.33Å; A165-E167 PolarHBondContact O-N 3Å; E167-N174 HydrophobicContact CB-CB 4.1Å; E167-N174 VanDerWaalsContact CB-ND2 3.31Å; E167-N174 WeakPolarHBondContact CB-ND2 3.38Å; E167-N174 VanDerWaalsContact CG-ND2 3.29Å; E167-N174 WeakPolarHBondContact CG-ND2 3.34Å; E167-S182 PolarHBondContact OE1-OG 3.4Å; E167-R246 IonicContact OE1-CZ 2.75Å; E167-R246 IonicContact OE1-NH1 2.85Å; E167-R246 PolarHBondContact OE1-NH1 3.36Å; E167-R246 IonicContact OE1-NH2 2.64Å; E167-R246 IonicContact OE2-CZ 3.71Å; E167-R246 IonicContact OE2-NH1 2.73Å; E167-R246 PolarHBondContact OE2-NH1 3.32Å; E167-R246 IonicContact OE2-NH2 2.64Å; E167-R246 PolarHBondContact OE2-NH2 3.03Å
168R77.8Confident67.4Low66 Ų6672.8 Ų72.825%0.24940%0.402CS..Hα-helixtrans-83.5-23.6175.5-68.9-175.559.7-173.50.8111.7R122 M164 A165 P166R122-R168 PolarHBondContact O-NH1 3.09Å; M164-R168 HydrophobicContact CB-CB 4.43Å; A165-R168 WeakPolarHBondContact O-CB 3.39Å; A165-R168 PolarHBondContact O-N 3.03Å; P166-R168 PolarHBondContact O-N 2.84Å
169I76.1Confident69.1Low43 Ų4370.4 Ų70.422%0.22138%0.379CS..Hα-helixtrans-85.7-46.2179.7-60171.8000109.5M164 A165 P166 P171 L211 V214 V215M164-I169 HydrophobicContact CB-CG1 4.33Å; A165-I169 PolarHBondContact O-N 3.39Å; P166-I169 PolarHBondContact O-N 3.48Å; P166-I169 VanDerWaalsContact O-N 3.1Å; I169-P171 WeakPolarHBondContact O-CD 3.46Å; I169-L211 HydrophobicContact CD1-CB 4.45Å; I169-L211 HydrophobicContact CD1-CD2 3.6Å; I169-L211 HydrophobicContact CG1-CD2 3.94Å; I169-L211 HydrophobicContact CG2-CB 3.92Å; I169-L211 HydrophobicContact CG2-CD2 4.24Å; I169-L211 HydrophobicContact CG2-CG 4.46Å; I169-V214 HydrophobicContact CD1-CB 3.75Å; I169-V214 HydrophobicContact CD1-CG1 3.5Å; I169-V215 HydrophobicContact CB-CG2 4.01Å; I169-V215 HydrophobicContact CD1-CG2 4.46Å; I169-V215 HydrophobicContact CG2-CG2 3.84Å
170N71.3Confident70.8Confident53 Ų5368.1 Ų68.128%0.28335%0.351SS..  trans-115.494.3174.1-173.2-1.9000110.4P166 E172 L173P166-N170 PolarHBondContact O-N 3.39Å; N170-E172 PolarHBondContact O-N 3.17Å; N170-E172 WeakPolarHBondContact OD1-CB 3.47Å; N170-E172 PolarHBondContact OD1-N 3.49Å; N170-L173 HydrophobicContact CB-CD1 3.96Å; N170-L173 HydrophobicContact CB-CG 4.22Å; N170-L173 VanDerWaalsContact O-CB 3.31Å; N170-L173 WeakPolarHBondContact O-CB 3.46Å; N170-L173 PolarHBondContact O-N 3.2Å
171P63.4Low72.3Confident90 Ų9066 Ų6658%0.58433%0.334SS*.G310 helixtrans-66.6-14-177.225.8-32.5000113.6I169 L173 N174I169-P171 WeakPolarHBondContact O-CD 3.46Å; P171-L173 PolarHBondContact O-N 3.21Å; P171-N174 CarbonylContact O-C 3.55Å; P171-N174 PolarHBondContact O-N 3.22Å
172E62.9Low73.1Confident170 Ų17062.6 Ų62.679%0.79432%0.32SS*.G310 helixtrans-62-22.2171.1-60.2-174.6164.200112.1N170 N174N170-E172 PolarHBondContact O-N 3.17Å; N170-E172 WeakPolarHBondContact OD1-CB 3.47Å; N170-E172 PolarHBondContact OD1-N 3.49Å; E172-N174 PolarHBondContact O-N 2.86Å
173L59.1Low73.5Confident98 Ų9862.3 Ų62.351%0.51332%0.318SS..G310 helixtrans-75.8-8173.9-60.5172.6000113.3N170 P171 V215N170-L173 HydrophobicContact CB-CD1 3.96Å; N170-L173 HydrophobicContact CB-CG 4.22Å; N170-L173 VanDerWaalsContact O-CB 3.31Å; N170-L173 WeakPolarHBondContact O-CB 3.46Å; N170-L173 PolarHBondContact O-N 3.2Å; P171-L173 PolarHBondContact O-N 3.21Å; L173-V215 HydrophobicContact CD1-CG1 4.3Å
174N52.3Low73.9Confident41 Ų4161 Ų6122%0.21931%0.312CS..  trans-147.1108.9177.7-103.9-14.6000113.2E167 P171 E172 K176 S243E167-N174 HydrophobicContact CB-CB 4.1Å; E167-N174 VanDerWaalsContact CB-ND2 3.31Å; E167-N174 WeakPolarHBondContact CB-ND2 3.38Å; E167-N174 VanDerWaalsContact CG-ND2 3.29Å; E167-N174 WeakPolarHBondContact CG-ND2 3.34Å; P171-N174 CarbonylContact O-C 3.55Å; P171-N174 PolarHBondContact O-N 3.22Å; E172-N174 PolarHBondContact O-N 2.86Å; N174-K176 VanDerWaalsContact C-N 3.25Å; N174-K176 PolarHBondContact O-N 2.77Å; N174-S243 PolarHBondContact ND2-OG 2.94Å
175Q51.5Low74.4Confident198 Ų19859 Ų5993%0.92530%0.303SS*.SBendtrans-75.2-1.5177.8-69.4-178.2-13.800115
176K48.7Very low74.7Confident195 Ų19559 Ų5985%0.84830%0.303SS*.SBendtrans-140.983.8-176.2-75.9-172.8175.7-1790113N174N174-K176 VanDerWaalsContact C-N 3.25Å; N174-K176 PolarHBondContact O-N 2.77Å
177G51Low75.2Confident59 Ų5958.8 Ų58.861%0.60830%0.302SS*.  trans56.1179.6155.200000118.4
178Y58.8Low75.9Confident109 Ų10958.2 Ų58.243%0.42730%0.299SS..  trans-68.5136.8176.4-63.6-84.2000111
179S73.7Confident76.8Confident42 Ų4255 Ų5529%0.29429%0.287SS..  trans-128.2148.9179.2177.50000111.2K181 S182S179-K181 PolarHBondContact O-N 3.4Å; S179-K181 PolarHBondContact OG-N 3.22Å; S179-S182 WeakPolarHBondContact O-CB 3.19Å; S179-S182 PolarHBondContact O-N 2.8Å; S179-S182 PolarHBondContact O-OG 3.16Å
180V85.1Confident77.9Confident20 Ų2053 Ų5312%0.12128%0.276CS..Hα-helixtrans-53-22.9170.6-66.70000113H114 I120 S182 D183 I184 Y249H114-V180 HydrophobicContact CB-CG1 4.32Å; H114-V180 WeakPolarHBondContact CD2-CG1 3.46Å; H114-V180 WeakPolarHBondContact NE2-CG1 3.48Å; I120-V180 HydrophobicContact CG1-CG1 4.16Å; V180-S182 PolarHBondContact O-N 3.41Å; V180-D183 PolarHBondContact O-N 3.43Å; V180-D183 VanDerWaalsContact O-N 3.12Å; V180-I184 PolarHBondContact O-N 3.2Å; V180-Y249 HydrophobicContact CB-CE2 3.84Å; V180-Y249 HydrophobicContact CG1-CE2 4.01Å
181K92.3Very high79.2Confident29 Ų2950.5 Ų50.513%0.12626%0.263CS..Hα-helixtrans-60.9-26.7174.6-58.5-55-176.988.50112.6S179 I184 W185 S243 R246 P247S179-K181 PolarHBondContact O-N 3.4Å; S179-K181 PolarHBondContact OG-N 3.22Å; K181-I184 HydrophobicContact CD-CD1 4.18Å; K181-I184 PolarHBondContact O-N 3.4Å; K181-W185 PolarHBondContact O-N 3.47Å; K181-S243 WeakPolarHBondContact CG-O 3.37Å; K181-R246 VanDerWaalsContact C-NH1 3.33Å; K181-R246 HydrophobicContact CD-CB 4.2Å; K181-R246 PolarHBondContact NZ-O 3.23Å; K181-R246 WeakPolarHBondContact O-CD 3.33Å; K181-R246 PolarHBondContact O-NH1 2.85Å; K181-P247 WeakPolarHBondContact CD-O 3.45Å; K181-P247 WeakPolarHBondContact CE-O 3.32Å
182S90.2Very high80.9Confident5 Ų546.3 Ų46.34%0.03524%0.236CC..Hα-helixtrans-73.5-32.1175.9-54.70000112.9E167 S179 V180 I184 S186E167-S182 PolarHBondContact OE1-OG 3.4Å; S179-S182 WeakPolarHBondContact O-CB 3.19Å; S179-S182 PolarHBondContact O-N 2.8Å; S179-S182 PolarHBondContact O-OG 3.16Å; V180-S182 PolarHBondContact O-N 3.41Å; S182-I184 VanDerWaalsContact C-N 3.33Å; S182-S186 PolarHBondContact O-N 3.13Å; S182-S186 PolarHBondContact O-OG 3.35Å
183D91.9Very high82.6Confident2 Ų238.2 Ų38.21%0.01120%0.198CC..Hα-helixtrans-69-35.8172.7-76.5-12.4000110.6L110 I120 H121 R122 V124 V180 S186 L187 Y249L110-D183 HydrophobicContact CD1-CB 4.46Å; I120-D183 WeakPolarHBondContact CG2-OD2 2.88Å; H121-D183 WeakPolarHBondContact CB-OD2 3.35Å; H121-D183 PolarHBondContact N-OD2 2.87Å; R122-D183 VanDerWaalsContact CA-OD1 3.27Å; R122-D183 WeakPolarHBondContact CA-OD1 3.33Å; R122-D183 PolarHBondContact N-OD1 2.92Å; R122-D183 PolarHBondContact N-OD2 2.76Å; V124-D183 HydrophobicContact CG2-CB 4.12Å; V180-D183 PolarHBondContact O-N 3.43Å; V180-D183 VanDerWaalsContact O-N 3.12Å; D183-S186 WeakPolarHBondContact O-CB 3.32Å; D183-S186 PolarHBondContact O-N 3.17Å; D183-S186 VanDerWaalsContact O-N 3.17Å; D183-L187 PolarHBondContact O-N 2.82Å; D183-Y249 VanDerWaalsContact CB-OH 3.24Å; D183-Y249 WeakPolarHBondContact CB-OH 3.43Å
184I97.4Very high84.4Confident0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-63-41.3175.2-69174.5000112V180 K181 S182 S186 L187 G188 C238 P247 Y249 L252V180-I184 PolarHBondContact O-N 3.2Å; K181-I184 HydrophobicContact CD-CD1 4.18Å; K181-I184 PolarHBondContact O-N 3.4Å; S182-I184 VanDerWaalsContact C-N 3.33Å; I184-S186 VanDerWaalsContact C-N 3.33Å; I184-S186 PolarHBondContact O-N 3.29Å; I184-L187 WeakPolarHBondContact O-CB 3.37Å; I184-L187 PolarHBondContact O-N 3.29Å; I184-G188 PolarHBondContact O-N 2.85Å; I184-C238 HydrophobicContact CG2-CB 4.03Å; I184-C238 WeakPolarHBondContact O-CB 3.22Å; I184-P247 WeakPolarHBondContact CD1-O 3.49Å; I184-Y249 HydrophobicContact CD1-CD1 4.1Å; I184-Y249 HydrophobicContact CD1-CE1 4.03Å; I184-Y249 HydrophobicContact CG1-CD1 4.07Å; I184-Y249 HydrophobicContact CG1-CE1 3.58Å; I184-L252 HydrophobicContact CD1-CD1 3.96Å; I184-L252 HydrophobicContact CG1-CD1 3.95Å; I184-L252 HydrophobicContact CG2-CD1 4.03Å
185W97.1Very high86.7Confident0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-59.2-47.1171.5172.7-79.9000111.5Y163 M164 A165 P166 K181 L187 G188 I189 V214 C238 L239 K241Y163-W185 VanDerWaalsContact O-CD1 3.3Å; M164-W185 PolarHBondContact O-NE1 2.83Å; A165-W185 VanDerWaalsContact CA-CD1 3.41Å; A165-W185 HydrophobicContact CB-CB 3.65Å; A165-W185 HydrophobicContact CB-CD2 4.21Å; A165-W185 HydrophobicContact CB-CG 3.59Å; P166-W185 HydrophobicContact CG-CE3 4.27Å; P166-W185 HydrophobicContact CG-CH2 3.72Å; P166-W185 HydrophobicContact CG-CZ2 4.01Å; P166-W185 HydrophobicContact CG-CZ3 3.86Å; K181-W185 PolarHBondContact O-N 3.47Å; W185-L187 VanDerWaalsContact C-N 3.29Å; W185-L187 PolarHBondContact O-N 2.9Å; W185-G188 WeakPolarHBondContact O-CA 2.99Å; W185-G188 PolarHBondContact O-N 3.07Å; W185-I189 HydrophobicContact CZ2-CD1 4.37Å; W185-I189 PolarHBondContact O-N 2.73Å; W185-V214 HydrophobicContact CZ2-CG1 3.94Å; W185-C238 WeakPolarHBondContact CA-O 3.28Å; W185-L239 HydrophobicContact CD2-CD2 3.8Å; W185-L239 HydrophobicContact CE3-CD2 3.97Å; W185-L239 HydrophobicContact CG-CD2 4.23Å; W185-L239 HydrophobicContact CH2-CD2 4.44Å; W185-L239 HydrophobicContact CZ2-CD2 4.29Å; W185-L239 HydrophobicContact CZ3-CB 4.41Å; W185-L239 HydrophobicContact CZ3-CD2 4.29Å; W185-L239 WeakPolarHBondContact CZ3-O 3.24Å; W185-L239 WeakPolarHBondContact O-CD2 3.48Å; W185-K241 HydrophobicContact CH2-CD 3.83Å; W185-K241 HydrophobicContact CZ3-CD 4.04Å; W185-K241 HydrophobicContact CZ3-CG 4.49Å
186S95.8Very high88.9Confident2 Ų224.5 Ų24.51%0.01413%0.132CC..Hα-helixtrans-63.9-35.8-178-52.60000111.5V124 Y163 S182 D183 I184 T190V124-S186 WeakPolarHBondContact O-CB 3.48Å; Y163-S186 PolarHBondContact O-OG 2.83Å; Y163-S186 VanDerWaalsContact O-OG 3.06Å; S182-S186 PolarHBondContact O-N 3.13Å; S182-S186 PolarHBondContact O-OG 3.35Å; D183-S186 WeakPolarHBondContact O-CB 3.32Å; D183-S186 PolarHBondContact O-N 3.17Å; D183-S186 VanDerWaalsContact O-N 3.17Å; I184-S186 VanDerWaalsContact C-N 3.33Å; I184-S186 PolarHBondContact O-N 3.29Å; S186-T190 WeakPolarHBondContact O-CB 3.41Å; S186-T190 PolarHBondContact O-N 3.31Å; S186-T190 PolarHBondContact O-OG1 2.82Å
187L98.3Very high91.2Very high0 Ų016.5 Ų16.50%010%0.098CC..Hα-helixtrans-59.1-47.8167.8166.566.2000111.3I106 V107 V124 D183 I184 W185 I189 T190 M191 F234 L252I106-L187 HydrophobicContact CB-CD1 4.1Å; I106-L187 HydrophobicContact CD1-CD1 4.12Å; I106-L187 HydrophobicContact CG2-CD1 3.76Å; V107-L187 HydrophobicContact CG2-CD2 3.52Å; V124-L187 HydrophobicContact CG1-CB 4.47Å; D183-L187 PolarHBondContact O-N 2.82Å; I184-L187 WeakPolarHBondContact O-CB 3.37Å; I184-L187 PolarHBondContact O-N 3.29Å; W185-L187 VanDerWaalsContact C-N 3.29Å; W185-L187 PolarHBondContact O-N 2.9Å; L187-I189 PolarHBondContact O-N 2.88Å; L187-T190 WeakPolarHBondContact O-CB 3.31Å; L187-T190 PolarHBondContact O-N 3.39Å; L187-M191 HydrophobicContact CD1-CG 3.75Å; L187-M191 HydrophobicContact CD1-SD 4.12Å; L187-M191 HydrophobicContact CG-CG 4.37Å; L187-M191 WeakPolarHBondContact O-CG 3.44Å; L187-M191 PolarHBondContact O-N 2.64Å; L187-F234 HydrophobicContact CD2-CE1 4.49Å; L187-F234 HydrophobicContact CD2-CZ 4.26Å; L187-L252 HydrophobicContact CD2-CD1 4.32Å
188G98.6Very high93.3Very high0 Ų021.6 Ų21.60%010%0.099CC..Hα-helixtrans-56-48.7177.400000112.8I184 W185 T190 M191 I192I184-G188 PolarHBondContact O-N 2.85Å; W185-G188 WeakPolarHBondContact O-CA 2.99Å; W185-G188 PolarHBondContact O-N 3.07Å; G188-T190 VanDerWaalsContact C-N 3.33Å; G188-T190 PolarHBondContact O-N 2.88Å; G188-M191 PolarHBondContact O-N 2.9Å; G188-I192 WeakPolarHBondContact O-CG1 3.35Å; G188-I192 PolarHBondContact O-N 2.82Å
189I98.1Very high95Very high0 Ų017.8 Ų17.80%09%0.085CC..Hα-helixtrans-61.4-43.1176.3-61.8-59.2000111Y163 W185 L187 I192 E193 F199 P200 Y201 P220 L239Y163-I189 HydrophobicContact CD1-CB 4.17Å; Y163-I189 HydrophobicContact CD1-CG2 3.53Å; Y163-I189 HydrophobicContact CE1-CG2 3.89Å; Y163-I189 HydrophobicContact CG-CG2 4.46Å; W185-I189 HydrophobicContact CZ2-CD1 4.37Å; W185-I189 PolarHBondContact O-N 2.73Å; L187-I189 PolarHBondContact O-N 2.88Å; I189-I192 PolarHBondContact O-N 2.93Å; I189-E193 WeakPolarHBondContact O-CB 3.09Å; I189-E193 PolarHBondContact O-N 3.1Å; I189-F199 HydrophobicContact CG2-CD2 4.4Å; I189-F199 HydrophobicContact CG2-CE2 3.65Å; I189-F199 HydrophobicContact CG2-CZ 4.27Å; I189-P200 HydrophobicContact CD1-CG 4.26Å; I189-P200 HydrophobicContact CG2-CG 3.95Å; I189-Y201 HydrophobicContact CD1-CE2 3.8Å; I189-P220 HydrophobicContact CD1-CG 4.2Å; I189-L239 HydrophobicContact CD1-CD1 4.27Å; I189-L239 HydrophobicContact CD1-CD2 3.58Å; I189-L239 HydrophobicContact CG1-CD2 3.79Å
190T98.4Very high95.9Very high0 Ų017 Ų170%08%0.079CC..Hα-helixtrans-59-47.3177.4-63.20000111.4I106 K125 P126 S186 L187 G188 E193 L194I106-T190 HydrophobicContact CD1-CG2 4.47Å; K125-T190 WeakPolarHBondContact CA-OG1 3.36Å; P126-T190 HydrophobicContact CG-CG2 4.02Å; S186-T190 WeakPolarHBondContact O-CB 3.41Å; S186-T190 PolarHBondContact O-N 3.31Å; S186-T190 PolarHBondContact O-OG1 2.82Å; L187-T190 WeakPolarHBondContact O-CB 3.31Å; L187-T190 PolarHBondContact O-N 3.39Å; G188-T190 VanDerWaalsContact C-N 3.33Å; G188-T190 PolarHBondContact O-N 2.88Å; T190-E193 PolarHBondContact O-N 2.93Å; T190-L194 HydrophobicContact CG2-CD1 4.01Å; T190-L194 VanDerWaalsContact O-CG 3.27Å; T190-L194 WeakPolarHBondContact O-CG 3.33Å; T190-L194 PolarHBondContact O-N 3.04Å
191M98.8Very high96.1Very high0 Ų016.6 Ų16.60%08%0.075CC..Hα-helixtrans-66.3-40.4-178.8-68.8-47.4-54.400112.3L99 I102 A103 I106 L187 G188 A195 F231 F234 T235L99-M191 HydrophobicContact CB-CE 3.9Å; L99-M191 HydrophobicContact CD2-CE 4.21Å; L99-M191 VanDerWaalsContact O-CE 3.24Å; L99-M191 WeakPolarHBondContact O-CE 3.27Å; I102-M191 HydrophobicContact CG2-SD 4.19Å; A103-M191 HydrophobicContact CB-CE 3.93Å; A103-M191 HydrophobicContact CB-SD 3.99Å; I106-M191 HydrophobicContact CD1-SD 4.39Å; L187-M191 HydrophobicContact CD1-CG 3.75Å; L187-M191 HydrophobicContact CD1-SD 4.12Å; L187-M191 HydrophobicContact CG-CG 4.37Å; L187-M191 WeakPolarHBondContact O-CG 3.44Å; L187-M191 PolarHBondContact O-N 2.64Å; G188-M191 PolarHBondContact O-N 2.9Å; M191-A195 VanDerWaalsContact O-CB 3.31Å; M191-A195 WeakPolarHBondContact O-CB 3.45Å; M191-A195 PolarHBondContact O-N 2.89Å; M191-F231 HydrophobicContact CB-CE2 4.23Å; M191-F231 HydrophobicContact CB-CZ 4.4Å; M191-F231 HydrophobicContact CE-CE2 4.04Å; M191-F231 HydrophobicContact CE-CZ 4.09Å; M191-F234 HydrophobicContact CG-CE1 4.48Å; M191-T235 HydrophobicContact CB-CG2 3.94Å
192I98.6Very high95.4Very high2 Ų220.2 Ų20.21%0.0110%0.096CC..Hα-helixtrans-63.9-46.8174.7-63.4-173.2000110.2G188 I189 L194 A195 I196 P200 P220 L222 T235 L239G188-I192 WeakPolarHBondContact O-CG1 3.35Å; G188-I192 PolarHBondContact O-N 2.82Å; I189-I192 PolarHBondContact O-N 2.93Å; I192-L194 VanDerWaalsContact C-N 3.3Å; I192-L194 PolarHBondContact O-N 3.43Å; I192-A195 PolarHBondContact O-N 3.27Å; I192-A195 VanDerWaalsContact O-N 3.1Å; I192-I196 HydrophobicContact CG2-CD1 3.99Å; I192-I196 HydrophobicContact CG2-CG1 4.37Å; I192-I196 HydrophobicContact CG2-CG2 4.39Å; I192-I196 WeakPolarHBondContact O-CG1 3.29Å; I192-I196 PolarHBondContact O-N 2.94Å; I192-P200 HydrophobicContact CB-CB 4.36Å; I192-P200 HydrophobicContact CG2-CB 3.63Å; I192-P200 HydrophobicContact CG2-CG 4.29Å; I192-P220 HydrophobicContact CD1-CB 4.04Å; I192-P220 WeakPolarHBondContact CD1-O 3.47Å; I192-L222 HydrophobicContact CB-CD2 4.32Å; I192-L222 HydrophobicContact CD1-CG 4.5Å; I192-L222 HydrophobicContact CG1-CD2 4.05Å; I192-L222 HydrophobicContact CG1-CG 4.05Å; I192-L222 HydrophobicContact CG2-CD2 4.05Å; I192-T235 HydrophobicContact CG1-CG2 4.08Å; I192-L239 HydrophobicContact CD1-CD1 3.36Å; I192-L239 HydrophobicContact CG1-CD1 4.29Å
193E98.3Very high94.3Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-57.2-43-179.9175167.5-166.300112.6Y84 P126 K161 Y163 I189 T190 L197 R198Y84-E193 HydrophobicContact CE1-CG 4.17Å; Y84-E193 PolarHBondContact OH-OE1 2.73Å; P126-E193 HydrophobicContact CG-CG 4.37Å; K161-E193 IonicContact NZ-OE1 3.28Å; K161-E193 PolarHBondContact NZ-OE1 3.06Å; Y163-E193 WeakPolarHBondContact CE1-OE2 3.35Å; Y163-E193 VanDerWaalsContact CZ-OE2 3.23Å; Y163-E193 PolarHBondContact OH-OE1 2.67Å; Y163-E193 PolarHBondContact OH-OE2 3.23Å; I189-E193 WeakPolarHBondContact O-CB 3.09Å; I189-E193 PolarHBondContact O-N 3.1Å; T190-E193 PolarHBondContact O-N 2.93Å; E193-L197 VanDerWaalsContact O-CA 3.27Å; E193-L197 WeakPolarHBondContact O-CA 3.08Å; E193-L197 PolarHBondContact O-N 2.92Å; E193-R198 VanDerWaalsContact CA-O 3.31Å; E193-R198 WeakPolarHBondContact CA-O 3.4Å; E193-R198 PolarHBondContact O-N 3.46Å
194L98.6Very high93Very high0 Ų034.9 Ų34.90%017%0.165CC..Hα-helixtrans-67.3-38.3177.4-65.9170.7000112.1L80 Y84 I94 L99 I102 P126 T190 I192 L197L80-L194 HydrophobicContact CB-CD2 3.94Å; L80-L194 HydrophobicContact CD1-CD1 3.72Å; L80-L194 HydrophobicContact CD1-CD2 4.33Å; Y84-L194 HydrophobicContact CD1-CD2 3.81Å; Y84-L194 HydrophobicContact CG-CD2 4.45Å; I94-L194 HydrophobicContact CD1-CB 4.45Å; I94-L194 HydrophobicContact CD1-CD2 4.39Å; L99-L194 HydrophobicContact CD2-CB 3.57Å; I102-L194 HydrophobicContact CG2-CD1 4.07Å; P126-L194 HydrophobicContact CB-CD2 4.3Å; P126-L194 HydrophobicContact CG-CD2 4.42Å; T190-L194 HydrophobicContact CG2-CD1 4.01Å; T190-L194 VanDerWaalsContact O-CG 3.27Å; T190-L194 WeakPolarHBondContact O-CG 3.33Å; T190-L194 PolarHBondContact O-N 3.04Å; I192-L194 VanDerWaalsContact C-N 3.3Å; I192-L194 PolarHBondContact O-N 3.43Å; L194-L197 WeakPolarHBondContact O-CD2 3.38Å
195A98.6Very high91.8Very high9 Ų937.4 Ų37.47%0.07419%0.191CC..Hα-helixtrans-68-40.8-18000000112.8L99 M191 I192 L222 F227 F231L99-A195 HydrophobicContact CD1-CB 3.76Å; M191-A195 VanDerWaalsContact O-CB 3.31Å; M191-A195 WeakPolarHBondContact O-CB 3.45Å; M191-A195 PolarHBondContact O-N 2.89Å; I192-A195 PolarHBondContact O-N 3.27Å; I192-A195 VanDerWaalsContact O-N 3.1Å; A195-L222 HydrophobicContact CB-CD2 3.72Å; A195-F227 HydrophobicContact CB-CE1 3.88Å; A195-F227 HydrophobicContact CB-CZ 3.75Å; A195-F231 HydrophobicContact CB-CE1 3.8Å; A195-F231 HydrophobicContact CB-CZ 4.06Å
196I97.9Very high91Very high41 Ų4140.9 Ų40.921%0.2121%0.212CC..Hα-helixtrans-100.2-0.6-176.375.5175.7000113.6I192 R198 P200 L222 F227I192-I196 HydrophobicContact CG2-CD1 3.99Å; I192-I196 HydrophobicContact CG2-CG1 4.37Å; I192-I196 HydrophobicContact CG2-CG2 4.39Å; I192-I196 WeakPolarHBondContact O-CG1 3.29Å; I192-I196 PolarHBondContact O-N 2.94Å; I196-R198 HydrophobicContact CD1-CG 3.75Å; I196-R198 HydrophobicContact CG1-CG 3.72Å; I196-R198 VanDerWaalsContact CG1-O 3.3Å; I196-R198 WeakPolarHBondContact CG1-O 3.45Å; I196-R198 PolarHBondContact O-N 3.48Å; I196-P200 HydrophobicContact CD1-CB 4.29Å; I196-L222 HydrophobicContact CG2-CD2 4.07Å; I196-F227 HydrophobicContact CG2-CE2 4.41Å
197L97.6Very high90.2Very high26 Ų2643 Ų4314%0.13623%0.226CC..THydrogen-bonded Turntrans57.625.6-179.8-57.9177.6000114.9Y84 V87 I88 T93 I94 E193 L194Y84-L197 HydrophobicContact CD2-CD2 4.3Å; Y84-L197 HydrophobicContact CG-CD2 4.4Å; V87-L197 HydrophobicContact CG1-CD1 4.12Å; V87-L197 HydrophobicContact CG1-CD2 4.24Å; I88-L197 HydrophobicContact CD1-CB 4Å; I88-L197 WeakPolarHBondContact CD1-O 3.3Å; I88-L197 HydrophobicContact CG1-CB 3.89Å; I88-L197 HydrophobicContact CG1-CD1 3.85Å; I88-L197 HydrophobicContact CG1-CG 4.34Å; T93-L197 HydrophobicContact CG2-CD1 4.47Å; I94-L197 HydrophobicContact CD1-CD2 4.14Å; I94-L197 HydrophobicContact CG1-CD2 4.13Å; E193-L197 VanDerWaalsContact O-CA 3.27Å; E193-L197 WeakPolarHBondContact O-CA 3.08Å; E193-L197 PolarHBondContact O-N 2.92Å; L194-L197 WeakPolarHBondContact O-CD2 3.38Å
198R95.3Very high89.3Confident167 Ų16750.1 Ų50.163%0.6326%0.257SS*.SBendtrans-155.2156.6174.962.8173.2-175.7-102.84110.1E193 I196E193-R198 VanDerWaalsContact CA-O 3.31Å; E193-R198 WeakPolarHBondContact CA-O 3.4Å; E193-R198 PolarHBondContact O-N 3.46Å; I196-R198 HydrophobicContact CD1-CG 3.75Å; I196-R198 HydrophobicContact CG1-CG 3.72Å; I196-R198 VanDerWaalsContact CG1-O 3.3Å; I196-R198 WeakPolarHBondContact CG1-O 3.45Å; I196-R198 PolarHBondContact O-N 3.48Å
199F94.1Very high88.5Confident28 Ų2855 Ų5512%0.12328%0.28CS..  trans-61.9137.8174.3-168.8-112000110.2K161 P162 Y163 I189 Y201K161-F199 HydrophobicContact CB-CD1 4.36Å; K161-F199 HydrophobicContact CB-CD2 3.87Å; K161-F199 HydrophobicContact CB-CE1 4.16Å; K161-F199 HydrophobicContact CB-CE2 3.69Å; K161-F199 HydrophobicContact CB-CG 4.22Å; K161-F199 HydrophobicContact CB-CZ 3.85Å; K161-F199 HydrophobicContact CD-CB 3.85Å; K161-F199 HydrophobicContact CD-CD1 4.44Å; K161-F199 HydrophobicContact CD-CD2 3.61Å; K161-F199 HydrophobicContact CD-CE2 4.29Å; K161-F199 HydrophobicContact CD-CG 3.71Å; K161-F199 HydrophobicContact CG-CB 4.38Å; K161-F199 HydrophobicContact CG-CD1 4.12Å; K161-F199 HydrophobicContact CG-CD2 3.94Å; K161-F199 HydrophobicContact CG-CE1 4.4Å; K161-F199 HydrophobicContact CG-CE2 4.27Å; K161-F199 HydrophobicContact CG-CG 3.88Å; K161-F199 HydrophobicContact CG-CZ 4.49Å; P162-F199 HydrophobicContact CG-CE1 4.16Å; P162-F199 HydrophobicContact CG-CZ 4.08Å; Y163-F199 HydrophobicContact CD1-CE2 4.18Å; Y163-F199 HydrophobicContact CE1-CD2 4.17Å; Y163-F199 AromaticContact CE1-CE2 3.81Å; Y163-F199 HydrophobicContact CE1-CE2 3.81Å; Y163-F199 HydrophobicContact CE2-CE2 4.31Å; Y163-F199 AromaticContact CZ-CE2 3.88Å; I189-F199 HydrophobicContact CG2-CD2 4.4Å; I189-F199 HydrophobicContact CG2-CE2 3.65Å; I189-F199 HydrophobicContact CG2-CZ 4.27Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 AromaticContact CE1-CD2 3.84Å; F199-Y201 HydrophobicContact CE1-CD2 3.84Å; F199-Y201 HydrophobicContact CE1-CG 4.28Å; F199-Y201 HydrophobicContact CZ-CD2 4.01Å; F199-Y201 PolarHBondContact O-N 2.99Å
200P93.3Very high87.7Confident25 Ų2556.6 Ų56.616%0.16229%0.287CS..SBendtrans-81.2-9.6-16731.4-37.3000115.1I189 I192 I196 P220I189-P200 HydrophobicContact CD1-CG 4.26Å; I189-P200 HydrophobicContact CG2-CG 3.95Å; I192-P200 HydrophobicContact CB-CB 4.36Å; I192-P200 HydrophobicContact CG2-CB 3.63Å; I192-P200 HydrophobicContact CG2-CG 4.29Å; I196-P200 HydrophobicContact CD1-CB 4.29Å; P200-P220 HydrophobicContact CB-CB 3.72Å; P200-P220 HydrophobicContact CB-CG 3.9Å; P200-P220 HydrophobicContact CG-CB 4.34Å; P200-P220 HydrophobicContact CG-CG 4.11Å
201Y88.7Confident87Confident13 Ų1358.5 Ų58.55%0.05130%0.298CS..SBendtrans-100.7141.8170.5-68.4-73.5000110.2I189 F199 Q213 V214 P220I189-Y201 HydrophobicContact CD1-CE2 3.8Å; F199-Y201 VanDerWaalsContact C-N 3.33Å; F199-Y201 AromaticContact CE1-CD2 3.84Å; F199-Y201 HydrophobicContact CE1-CD2 3.84Å; F199-Y201 HydrophobicContact CE1-CG 4.28Å; F199-Y201 HydrophobicContact CZ-CD2 4.01Å; F199-Y201 PolarHBondContact O-N 2.99Å; Y201-Q213 VanDerWaalsContact CD1-CD 3.46Å; Y201-Q213 HydrophobicContact CD1-CG 3.62Å; Y201-Q213 HydrophobicContact CE1-CG 3.87Å; Y201-V214 HydrophobicContact CD2-CG2 4.14Å; Y201-V214 HydrophobicContact CE1-CG2 4.46Å; Y201-V214 HydrophobicContact CE2-CG2 3.68Å; Y201-P220 HydrophobicContact CD1-CG 4.15Å; Y201-P220 HydrophobicContact CD2-CG 4.2Å; Y201-P220 HydrophobicContact CE1-CG 3.73Å; Y201-P220 HydrophobicContact CE2-CG 3.77Å; Y201-P220 HydrophobicContact CG-CG 4.4Å; Y201-P220 VanDerWaalsContact CZ-CD 3.43Å; Y201-P220 VanDerWaalsContact OH-CD 3.27Å; Y201-P220 WeakPolarHBondContact OH-CD 3.31Å
202D78.2Confident86.4Confident104 Ų10463.3 Ų63.356%0.55632%0.318SS*.  trans-68.4137.1176.8-68.2-41.3000111W204D202-W204 PolarHBondContact O-N 3.34Å
203S67.6Low85.8Confident93 Ų9364.6 Ų64.665%0.6532%0.324SS*.  trans-86.218.4-174.755.80000114G205S203-G205 PolarHBondContact O-N 3.27Å
204W64.8Low85.4Confident222 Ų22264.6 Ų64.684%0.84132%0.324SS*.  trans-78112.1-177.6-54.6101.9000110.3D202D202-W204 PolarHBondContact O-N 3.34Å
205G71.5Confident84.8Confident53 Ų5366.5 Ų66.555%0.54634%0.336SS..SBendtrans117.7-160.5169.900000114.8S203 Q209S203-G205 PolarHBondContact O-N 3.27Å; G205-Q209 VanDerWaalsContact CA-OE1 3.25Å
206T80.4Confident84.3Confident73 Ų7372.4 Ų72.445%0.44836%0.362SS..  trans-83.2158.3-176.362.20000111.7F208 Q209 Q210T206-F208 PolarHBondContact O-N 3.12Å; T206-F208 VanDerWaalsContact O-N 3.14Å; T206-Q209 WeakPolarHBondContact O-CB 3.17Å; T206-Q209 PolarHBondContact O-N 3.29Å; T206-Q209 WeakPolarHBondContact OG1-CG 2.98Å; T206-Q209 PolarHBondContact OG1-N 3.42Å; T206-Q209 PolarHBondContact OG1-OE1 3.12Å; T206-Q209 VanDerWaalsContact OG1-OE1 3.11Å; T206-Q210 PolarHBondContact O-N 3.18Å; T206-Q210 VanDerWaalsContact O-N 3.16Å
207P78.5Confident84Confident47 Ų4775.1 Ų75.131%0.30537%0.374SS..Hα-helixtrans-52.5-36.4174.2-27.835000113.4A158 Q210 L211A158-P207 HydrophobicContact CB-CG 4.37Å; P207-Q210 PolarHBondContact O-N 3.26Å; P207-L211 WeakPolarHBondContact O-CG 3.38Å; P207-L211 PolarHBondContact O-N 3.24Å
208F79.8Confident83.8Confident150 Ų15079.1 Ų79.166%0.65840%0.401SS*.Hα-helixtrans-63.6-40.7175.9-178.4-98.8000112.6T206 L211 K212T206-F208 PolarHBondContact O-N 3.12Å; T206-F208 VanDerWaalsContact O-N 3.14Å; F208-L211 PolarHBondContact O-N 3Å; F208-K212 WeakPolarHBondContact O-CB 3.16Å; F208-K212 PolarHBondContact O-N 3.45Å
209Q82.1Confident83.8Confident103 Ų10372.3 Ų72.348%0.48138%0.379SS..Hα-helixtrans-66-38177-73.9167.1-46.900111.8G205 T206 K212 Q213G205-Q209 VanDerWaalsContact CA-OE1 3.25Å; T206-Q209 WeakPolarHBondContact O-CB 3.17Å; T206-Q209 PolarHBondContact O-N 3.29Å; T206-Q209 WeakPolarHBondContact OG1-CG 2.98Å; T206-Q209 PolarHBondContact OG1-N 3.42Å; T206-Q209 PolarHBondContact OG1-OE1 3.12Å; T206-Q209 VanDerWaalsContact OG1-OE1 3.11Å; Q209-K212 WeakPolarHBondContact O-CB 3.27Å; Q209-K212 PolarHBondContact O-N 3.32Å; Q209-Q213 PolarHBondContact O-N 2.92Å
210Q81.5Confident83.9Confident32 Ų3271.9 Ų71.915%0.1538%0.379CS..Hα-helixtrans-64.6-42.6174.2-65.9176.7-14.500111.8P162 T206 P207 K212 Q213 V214P162-Q210 HydrophobicContact CG-CB 4.22Å; T206-Q210 PolarHBondContact O-N 3.18Å; T206-Q210 VanDerWaalsContact O-N 3.16Å; P207-Q210 PolarHBondContact O-N 3.26Å; Q210-K212 VanDerWaalsContact C-N 3.33Å; Q210-K212 PolarHBondContact O-N 2.93Å; Q210-Q213 WeakPolarHBondContact O-CB 3.27Å; Q210-Q213 PolarHBondContact O-N 3.25Å; Q210-V214 WeakPolarHBondContact O-CG2 3.42Å; Q210-V214 PolarHBondContact O-N 3.46Å; Q210-V214 VanDerWaalsContact O-N 3.11Å
211L83.6Confident84.1Confident41 Ų4177.5 Ų77.522%0.21540%0.403CS..Hα-helixtrans-64.7-39.6175-68.3174.9000111.7P162 M164 I169 P207 F208 Q213 V214 V215P162-L211 HydrophobicContact CB-CD2 3.89Å; M164-L211 HydrophobicContact CE-CD2 4.4Å; I169-L211 HydrophobicContact CD1-CB 4.45Å; I169-L211 HydrophobicContact CD1-CD2 3.6Å; I169-L211 HydrophobicContact CG1-CD2 3.94Å; I169-L211 HydrophobicContact CG2-CB 3.92Å; I169-L211 HydrophobicContact CG2-CD2 4.24Å; I169-L211 HydrophobicContact CG2-CG 4.46Å; P207-L211 WeakPolarHBondContact O-CG 3.38Å; P207-L211 PolarHBondContact O-N 3.24Å; F208-L211 PolarHBondContact O-N 3Å; L211-Q213 VanDerWaalsContact C-N 3.33Å; L211-Q213 PolarHBondContact O-N 3.21Å; L211-V214 PolarHBondContact O-N 3.12Å; L211-V215 PolarHBondContact O-N 2.79Å; L211-V215 VanDerWaalsContact O-N 3.12Å
212K84.4Confident84.5Confident101 Ų10177.2 Ų77.244%0.43940%0.403SS..Hα-helixtrans-60.7-42.2174.2-173179.2176.5-179.20111.4F208 Q209 Q210 V214 V215 E216F208-K212 WeakPolarHBondContact O-CB 3.16Å; F208-K212 PolarHBondContact O-N 3.45Å; Q209-K212 WeakPolarHBondContact O-CB 3.27Å; Q209-K212 PolarHBondContact O-N 3.32Å; Q210-K212 VanDerWaalsContact C-N 3.33Å; Q210-K212 PolarHBondContact O-N 2.93Å; K212-V214 VanDerWaalsContact C-N 3.33Å; K212-V214 PolarHBondContact O-N 3.38Å; K212-V215 PolarHBondContact O-N 2.84Å; K212-E216 WeakPolarHBondContact CE-OE1 3.11Å; K212-E216 WeakPolarHBondContact CE-OE2 3.49Å; K212-E216 HydrophobicContact CG-CG 4.17Å; K212-E216 IonicContact NZ-OE2 3.21Å; K212-E216 WeakPolarHBondContact O-CB 3.44Å; K212-E216 PolarHBondContact O-N 3.48Å
213Q87.2Confident85.4Confident29 Ų2974.5 Ų74.514%0.13639%0.391CS..Hα-helixtrans-57.3-46.4173.9-174.2169.838.900111.6Y201 Q209 Q210 L211 V215 E217Y201-Q213 VanDerWaalsContact CD1-CD 3.46Å; Y201-Q213 HydrophobicContact CD1-CG 3.62Å; Y201-Q213 HydrophobicContact CE1-CG 3.87Å; Q209-Q213 PolarHBondContact O-N 2.92Å; Q210-Q213 WeakPolarHBondContact O-CB 3.27Å; Q210-Q213 PolarHBondContact O-N 3.25Å; L211-Q213 VanDerWaalsContact C-N 3.33Å; L211-Q213 PolarHBondContact O-N 3.21Å; Q213-V215 PolarHBondContact O-N 2.82Å; Q213-E217 HydrophobicContact CG-CB 4.06Å; Q213-E217 VanDerWaalsContact CG-CD 3.5Å; Q213-E217 HydrophobicContact CG-CG 4.12Å; Q213-E217 VanDerWaalsContact CG-OE2 3.31Å; Q213-E217 WeakPolarHBondContact CG-OE2 3.18Å; Q213-E217 PolarHBondContact NE2-OE2 3.24Å; Q213-E217 WeakPolarHBondContact O-CB 3.29Å; Q213-E217 PolarHBondContact O-N 2.78Å; Q213-E217 VanDerWaalsContact O-N 3.08Å
214V89.1Confident86.7Confident0 Ų073.9 Ų73.90%039%0.391CS..Hα-helixtrans-62.4-26176.8177.60000112.4P162 P166 I169 W185 Y201 Q210 L211 K212 K241P162-V214 HydrophobicContact CB-CG2 4.13Å; P162-V214 HydrophobicContact CG-CG2 3.9Å; P166-V214 HydrophobicContact CG-CG1 4.33Å; P166-V214 WeakPolarHBondContact CG-O 3.23Å; I169-V214 HydrophobicContact CD1-CB 3.75Å; I169-V214 HydrophobicContact CD1-CG1 3.5Å; W185-V214 HydrophobicContact CZ2-CG1 3.94Å; Y201-V214 HydrophobicContact CD2-CG2 4.14Å; Y201-V214 HydrophobicContact CE1-CG2 4.46Å; Y201-V214 HydrophobicContact CE2-CG2 3.68Å; Q210-V214 WeakPolarHBondContact O-CG2 3.42Å; Q210-V214 PolarHBondContact O-N 3.46Å; Q210-V214 VanDerWaalsContact O-N 3.11Å; L211-V214 PolarHBondContact O-N 3.12Å; K212-V214 VanDerWaalsContact C-N 3.33Å; K212-V214 PolarHBondContact O-N 3.38Å; V214-K241 VanDerWaalsContact C-NZ 3.33Å; V214-K241 PolarHBondContact O-NZ 2.86Å
215V87.3Confident88.2Confident40 Ų4069.7 Ų69.724%0.24239%0.385CS..Hα-helixtrans-88.2-51.5177.4176.30000111.4I169 L173 L211 K212 Q213 K241I169-V215 HydrophobicContact CB-CG2 4.01Å; I169-V215 HydrophobicContact CD1-CG2 4.46Å; I169-V215 HydrophobicContact CG2-CG2 3.84Å; L173-V215 HydrophobicContact CD1-CG1 4.3Å; L211-V215 PolarHBondContact O-N 2.79Å; L211-V215 VanDerWaalsContact O-N 3.12Å; K212-V215 PolarHBondContact O-N 2.84Å; Q213-V215 PolarHBondContact O-N 2.82Å; V215-K241 PolarHBondContact O-NZ 3.39Å
216E87.8Confident89.4Confident133 Ų13374.4 Ų74.462%0.62139%0.39SS*.Hα-helixtrans-95-33.3-164-63.2-178-171.500114.9K212K212-E216 WeakPolarHBondContact CE-OE1 3.11Å; K212-E216 WeakPolarHBondContact CE-OE2 3.49Å; K212-E216 HydrophobicContact CG-CG 4.17Å; K212-E216 IonicContact NZ-OE2 3.21Å; K212-E216 WeakPolarHBondContact O-CB 3.44Å; K212-E216 PolarHBondContact O-N 3.48Å
217E91.3Very high90.2Very high97 Ų9772.7 Ų72.745%0.45338%0.377SS..SBendtrans-84.8161.2-177-70.3-176.6-154.800112.3Q213 K241Q213-E217 HydrophobicContact CG-CB 4.06Å; Q213-E217 VanDerWaalsContact CG-CD 3.5Å; Q213-E217 HydrophobicContact CG-CG 4.12Å; Q213-E217 VanDerWaalsContact CG-OE2 3.31Å; Q213-E217 WeakPolarHBondContact CG-OE2 3.18Å; Q213-E217 PolarHBondContact NE2-OE2 3.24Å; Q213-E217 WeakPolarHBondContact O-CB 3.29Å; Q213-E217 PolarHBondContact O-N 2.78Å; Q213-E217 VanDerWaalsContact O-N 3.08Å; E217-K241 WeakPolarHBondContact O-CE 2.95Å; E217-K241 PolarHBondContact O-NZ 2.88Å
218P93.8Very high91.2Very high111 Ų11172 Ų7272%0.72137%0.373SS*.PPolyproline II helixtrans-51.9146.8170.6-26.135.7000112.2
219S95.8Very high92.1Very high24 Ų2468.4 Ų68.417%0.16837%0.371CS..PPolyproline II helixtrans-66.8150.417343.20000111L239S219-L239 VanDerWaalsContact CB-O 3.24Å; S219-L239 WeakPolarHBondContact CB-O 3.11Å; S219-L239 PolarHBondContact OG-O 2.95Å
220P96.4Very high92.9Very high18 Ų1867.5 Ų67.512%0.11737%0.367CS..PPolyproline II helixtrans-60.6147.6177.2-21.931.4000111.7I189 I192 P200 Y201 L239I189-P220 HydrophobicContact CD1-CG 4.2Å; I192-P220 HydrophobicContact CD1-CB 4.04Å; I192-P220 WeakPolarHBondContact CD1-O 3.47Å; P200-P220 HydrophobicContact CB-CB 3.72Å; P200-P220 HydrophobicContact CB-CG 3.9Å; P200-P220 HydrophobicContact CG-CB 4.34Å; P200-P220 HydrophobicContact CG-CG 4.11Å; Y201-P220 HydrophobicContact CD1-CG 4.15Å; Y201-P220 HydrophobicContact CD2-CG 4.2Å; Y201-P220 HydrophobicContact CE1-CG 3.73Å; Y201-P220 HydrophobicContact CE2-CG 3.77Å; Y201-P220 HydrophobicContact CG-CG 4.4Å; Y201-P220 VanDerWaalsContact CZ-CD 3.43Å; Y201-P220 VanDerWaalsContact OH-CD 3.27Å; Y201-P220 WeakPolarHBondContact OH-CD 3.31Å; P220-L239 WeakPolarHBondContact O-CD1 3.33Å
221Q96.9Very high93.7Very high144 Ų14466 Ų6667%0.67336%0.36SS*.  trans-129.3146.9178.2-63-173.6-900109.9
222L97.2Very high94.4Very high7 Ų765.4 Ų65.44%0.03736%0.358CS..  trans-69.6143.3170.4-73.3175.3000110.4I192 A195 I196 A224 F227 F231 V232 T235I192-L222 HydrophobicContact CB-CD2 4.32Å; I192-L222 HydrophobicContact CD1-CG 4.5Å; I192-L222 HydrophobicContact CG1-CD2 4.05Å; I192-L222 HydrophobicContact CG1-CG 4.05Å; I192-L222 HydrophobicContact CG2-CD2 4.05Å; A195-L222 HydrophobicContact CB-CD2 3.72Å; I196-L222 HydrophobicContact CG2-CD2 4.07Å; L222-A224 PolarHBondContact O-N 3.4Å; L222-A224 VanDerWaalsContact O-N 3.13Å; L222-F227 HydrophobicContact CB-CD2 3.98Å; L222-F227 HydrophobicContact CD1-CB 4.47Å; L222-F227 HydrophobicContact CD1-CD2 4.42Å; L222-F227 HydrophobicContact CD1-CG 4.3Å; L222-F227 HydrophobicContact CD2-CD2 4.02Å; L222-F227 HydrophobicContact CD2-CE2 3.91Å; L222-F227 HydrophobicContact CD2-CZ 4.39Å; L222-F227 HydrophobicContact CG-CD2 4.37Å; L222-F231 HydrophobicContact CD1-CD1 3.49Å; L222-F231 VanDerWaalsContact CD1-CD1 3.49Å; L222-F231 HydrophobicContact CD1-CD2 4.17Å; L222-F231 HydrophobicContact CD1-CE1 3.5Å; L222-F231 HydrophobicContact CD1-CE2 4.19Å; L222-F231 HydrophobicContact CD1-CG 3.82Å; L222-F231 HydrophobicContact CD1-CZ 3.86Å; L222-V232 HydrophobicContact CB-CG2 4Å; L222-T235 HydrophobicContact CD1-CG2 3.85Å; L222-T235 WeakPolarHBondContact CD1-OG1 3.49Å; L222-T235 HydrophobicContact CG-CG2 4.47Å
223P95.6Very high95.1Very high47 Ų4763.7 Ų63.731%0.30535%0.354SS..  trans-61.8112.3171.2-18.429.4000111.1D225 K226 F227P223-D225 VanDerWaalsContact CB-OD1 3.26Å; P223-D225 WeakPolarHBondContact CB-OD1 3.43Å; P223-D225 PolarHBondContact O-N 2.74Å; P223-D225 VanDerWaalsContact O-N 3.16Å; P223-K226 HydrophobicContact CB-CB 4.31Å; P223-K226 HydrophobicContact CB-CD 4.18Å; P223-K226 HydrophobicContact CB-CG 4.17Å; P223-K226 HydrophobicContact CG-CD 4.45Å; P223-K226 PolarHBondContact O-N 2.67Å; P223-F227 PolarHBondContact O-N 3.46Å
224A95.4Very high95.7Very high79 Ų7962.3 Ų62.365%0.65335%0.347SS*.THydrogen-bonded Turntrans-66-16.3-174.800000114.2L222 K226L222-A224 PolarHBondContact O-N 3.4Å; L222-A224 VanDerWaalsContact O-N 3.13Å; A224-K226 VanDerWaalsContact C-N 3.33Å
225D95.8Very high96.1Very high134 Ų13462.3 Ų62.372%0.71735%0.347SS*.THydrogen-bonded Turntrans-80.2-12.1174.362.9-50.4000113.3P223P223-D225 VanDerWaalsContact CB-OD1 3.26Å; P223-D225 WeakPolarHBondContact CB-OD1 3.43Å; P223-D225 PolarHBondContact O-N 2.74Å; P223-D225 VanDerWaalsContact O-N 3.16Å
226K96.9Very high96.7Very high152 Ų15262.3 Ų62.366%0.66135%0.349SS*.THydrogen-bonded Turntrans-116-19.3-172.9-61.1-171.8-178.2-176.90115P223 A224P223-K226 HydrophobicContact CB-CB 4.31Å; P223-K226 HydrophobicContact CB-CD 4.18Å; P223-K226 HydrophobicContact CB-CG 4.17Å; P223-K226 HydrophobicContact CG-CD 4.45Å; P223-K226 PolarHBondContact O-N 2.67Å; A224-K226 VanDerWaalsContact C-N 3.33Å
227F98.4Very high97.2Very high37 Ų3758.6 Ų58.616%0.16233%0.332CS..SBendtrans-127.9156.9-173.6-65.3-75.8000110.8A195 I196 L222 P223 F231 V232A195-F227 HydrophobicContact CB-CE1 3.88Å; A195-F227 HydrophobicContact CB-CZ 3.75Å; I196-F227 HydrophobicContact CG2-CE2 4.41Å; L222-F227 HydrophobicContact CB-CD2 3.98Å; L222-F227 HydrophobicContact CD1-CB 4.47Å; L222-F227 HydrophobicContact CD1-CD2 4.42Å; L222-F227 HydrophobicContact CD1-CG 4.3Å; L222-F227 HydrophobicContact CD2-CD2 4.02Å; L222-F227 HydrophobicContact CD2-CE2 3.91Å; L222-F227 HydrophobicContact CD2-CZ 4.39Å; L222-F227 HydrophobicContact CG-CD2 4.37Å; P223-F227 PolarHBondContact O-N 3.46Å; F227-F231 HydrophobicContact CB-CD1 4.13Å; F227-F231 AromaticContact CD1-CD1 3.68Å; F227-F231 HydrophobicContact CD1-CD1 3.68Å; F227-F231 AromaticContact CD1-CE1 3.87Å; F227-F231 HydrophobicContact CD1-CE1 3.87Å; F227-F231 HydrophobicContact CE1-CD1 4.42Å; F227-F231 HydrophobicContact CE1-CE1 4.16Å; F227-F231 HydrophobicContact CG-CD1 4.1Å; F227-V232 HydrophobicContact CB-CG2 4.02Å
228S98.7Very high97.5Very high32 Ų3254 Ų5422%0.22431%0.31CS..  trans-60.6153.117772.70000112.1E96 E230 F231 V232E96-S228 WeakPolarHBondContact OE1-CB 3.39Å; E96-S228 PolarHBondContact OE1-OG 3.34Å; E96-S228 PolarHBondContact OE2-N 3.07Å; S228-E230 WeakPolarHBondContact CB-OE2 3.49Å; S228-E230 PolarHBondContact O-N 2.93Å; S228-F231 PolarHBondContact O-N 2.78Å; S228-F231 WeakPolarHBondContact OG-CB 3.38Å; S228-F231 PolarHBondContact OG-N 3.1Å; S228-V232 VanDerWaalsContact O-CG2 3.26Å; S228-V232 WeakPolarHBondContact O-CG2 3.31Å; S228-V232 PolarHBondContact O-N 3.5Å
229A98.6Very high97.7Very high75 Ų7548.7 Ų48.762%0.6228%0.276SS*.Hα-helixtrans-59.3-36175.900000111.1D233A229-D233 WeakPolarHBondContact O-CB 3.24Å; A229-D233 PolarHBondContact O-N 3.26Å
230E98.8Very high97.8Very high84 Ų8450.5 Ų50.539%0.39328%0.281SS..Hα-helixtrans-66.5-40.3178.3-62.376.1-169.800111.8S228 F234 H255 P256 F257S228-E230 WeakPolarHBondContact CB-OE2 3.49Å; S228-E230 PolarHBondContact O-N 2.93Å; E230-F234 VanDerWaalsContact O-CB 3.27Å; E230-F234 WeakPolarHBondContact O-CB 3.49Å; E230-F234 PolarHBondContact O-N 2.98Å; E230-H255 PolarHBondContact O-CE1 2.68Å; E230-H255 VanDerWaalsContact O-CE1 3.31Å; E230-P256 HydrophobicContact CG-CB 4.06Å; E230-F257 HydrophobicContact CB-CB 4.05Å; E230-F257 HydrophobicContact CB-CD2 4.34Å
231F98.8Very high97.6Very high0 Ų052.4 Ų52.40%029%0.287CS..Hα-helixtrans-73.7-39178.9-171.1-149.8000112.4E96 L99 M191 A195 L222 F227 S228 F234 T235 F257E96-F231 HydrophobicContact CG-CB 4.38Å; E96-F231 HydrophobicContact CG-CD1 3.78Å; E96-F231 HydrophobicContact CG-CE1 4.36Å; E96-F231 HydrophobicContact CG-CG 4.23Å; L99-F231 HydrophobicContact CB-CE1 4.5Å; L99-F231 HydrophobicContact CB-CZ 4.21Å; L99-F231 HydrophobicContact CD1-CE1 3.72Å; L99-F231 HydrophobicContact CD1-CZ 3.98Å; M191-F231 HydrophobicContact CB-CE2 4.23Å; M191-F231 HydrophobicContact CB-CZ 4.4Å; M191-F231 HydrophobicContact CE-CE2 4.04Å; M191-F231 HydrophobicContact CE-CZ 4.09Å; A195-F231 HydrophobicContact CB-CE1 3.8Å; A195-F231 HydrophobicContact CB-CZ 4.06Å; L222-F231 HydrophobicContact CD1-CD1 3.49Å; L222-F231 VanDerWaalsContact CD1-CD1 3.49Å; L222-F231 HydrophobicContact CD1-CD2 4.17Å; L222-F231 HydrophobicContact CD1-CE1 3.5Å; L222-F231 HydrophobicContact CD1-CE2 4.19Å; L222-F231 HydrophobicContact CD1-CG 3.82Å; L222-F231 HydrophobicContact CD1-CZ 3.86Å; F227-F231 HydrophobicContact CB-CD1 4.13Å; F227-F231 AromaticContact CD1-CD1 3.68Å; F227-F231 HydrophobicContact CD1-CD1 3.68Å; F227-F231 AromaticContact CD1-CE1 3.87Å; F227-F231 HydrophobicContact CD1-CE1 3.87Å; F227-F231 HydrophobicContact CE1-CD1 4.42Å; F227-F231 HydrophobicContact CE1-CE1 4.16Å; F227-F231 HydrophobicContact CG-CD1 4.1Å; S228-F231 PolarHBondContact O-N 2.78Å; S228-F231 WeakPolarHBondContact OG-CB 3.38Å; S228-F231 PolarHBondContact OG-N 3.1Å; F231-F234 PolarHBondContact O-N 2.97Å; F231-T235 HydrophobicContact CD2-CG2 4.08Å; F231-T235 HydrophobicContact CE2-CG2 3.73Å; F231-T235 HydrophobicContact CZ-CG2 4.35Å; F231-T235 PolarHBondContact O-N 3.15Å; F231-T235 VanDerWaalsContact O-N 3.07Å; F231-T235 PolarHBondContact O-OG1 3.2Å; F231-F257 HydrophobicContact CB-CD2 3.68Å; F231-F257 HydrophobicContact CB-CE2 3.45Å; F231-F257 VanDerWaalsContact CB-CE2 3.45Å; F231-F257 HydrophobicContact CB-CZ 4.11Å; F231-F257 HydrophobicContact CD1-CE2 4.48Å; F231-F257 HydrophobicContact CD2-CD1 4.15Å; F231-F257 HydrophobicContact CD2-CD2 4.11Å; F231-F257 AromaticContact CD2-CE1 3.56Å; F231-F257 HydrophobicContact CD2-CE1 3.56Å; F231-F257 AromaticContact CD2-CE2 3.53Å; F231-F257 HydrophobicContact CD2-CE2 3.53Å; F231-F257 HydrophobicContact CD2-CG 4.4Å; F231-F257 AromaticContact CD2-CZ 3.22Å; F231-F257 HydrophobicContact CD2-CZ 3.22Å; F231-F257 AromaticContact CE2-CE1 3.92Å; F231-F257 HydrophobicContact CE2-CE1 3.92Å; F231-F257 HydrophobicContact CE2-CE2 4.42Å; F231-F257 AromaticContact CE2-CZ 3.7Å; F231-F257 HydrophobicContact CE2-CZ 3.7Å; F231-F257 HydrophobicContact CG-CD2 4.21Å; F231-F257 HydrophobicContact CG-CE1 4.44Å; F231-F257 AromaticContact CG-CE2 3.58Å; F231-F257 HydrophobicContact CG-CE2 3.58Å; F231-F257 AromaticContact CG-CZ 3.72Å; F231-F257 HydrophobicContact CG-CZ 3.72Å
232V98.8Very high97.4Very high30 Ų3049 Ų4918%0.18227%0.273CS..Hα-helixtrans-59.9-47.9172.4175.40000110.1L222 F227 S228 T235 S236L222-V232 HydrophobicContact CB-CG2 4Å; F227-V232 HydrophobicContact CB-CG2 4.02Å; S228-V232 VanDerWaalsContact O-CG2 3.26Å; S228-V232 WeakPolarHBondContact O-CG2 3.31Å; S228-V232 PolarHBondContact O-N 3.5Å; V232-T235 PolarHBondContact O-OG1 3.07Å; V232-T235 VanDerWaalsContact O-OG1 3.08Å; V232-S236 WeakPolarHBondContact O-CB 3.47Å; V232-S236 PolarHBondContact O-N 3.19Å
233D98.8Very high97.2Very high64 Ų6449.2 Ų49.234%0.34228%0.275SS..Hα-helixtrans-62.7-49.1177-17442.5000111.2A229 T235 S236 Q237 H255A229-D233 WeakPolarHBondContact O-CB 3.24Å; A229-D233 PolarHBondContact O-N 3.26Å; D233-T235 VanDerWaalsContact C-N 3.33Å; D233-T235 PolarHBondContact O-N 3.01Å; D233-S236 CarbonylContact O-C 3.59Å; D233-S236 WeakPolarHBondContact O-CA 3.42Å; D233-S236 WeakPolarHBondContact O-CB 3.3Å; D233-S236 PolarHBondContact O-N 2.83Å; D233-S236 PolarHBondContact O-OG 3.11Å; D233-Q237 WeakPolarHBondContact O-CG 3.49Å; D233-Q237 PolarHBondContact O-N 3.47Å; D233-Q237 PolarHBondContact OD1-NE2 3.36Å; D233-H255 IonicContact OD2-CE1 3.71Å; D233-H255 IonicContact OD2-NE2 3.68Å; D233-H255 PolarHBondContact OD2-NE2 3.41Å; D233-H255 VanDerWaalsContact OD2-NE2 3.08Å
234F98.9Very high97Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-52.8-48.6-179.8-179.9-93.7000112.5A103 V107 L187 M191 E230 F231 C238 L252 H255 F257A103-F234 HydrophobicContact CB-CE1 4.21Å; A103-F234 HydrophobicContact CB-CZ 4.33Å; V107-F234 HydrophobicContact CG2-CZ 4.16Å; L187-F234 HydrophobicContact CD2-CE1 4.49Å; L187-F234 HydrophobicContact CD2-CZ 4.26Å; M191-F234 HydrophobicContact CG-CE1 4.48Å; E230-F234 VanDerWaalsContact O-CB 3.27Å; E230-F234 WeakPolarHBondContact O-CB 3.49Å; E230-F234 PolarHBondContact O-N 2.98Å; F231-F234 PolarHBondContact O-N 2.97Å; F234-C238 PolarHBondContact O-N 2.86Å; F234-C238 PolarHBondContact O-SG 3.45Å; F234-L252 HydrophobicContact CD2-CD2 4.17Å; F234-L252 HydrophobicContact CE2-CD2 3.74Å; F234-L252 HydrophobicContact CZ-CD2 4.28Å; F234-H255 HydrophobicContact CD2-CB 4.18Å; F234-H255 AromaticContact CD2-CG 3.83Å; F234-H255 AromaticContact CD2-ND1 3.73Å; F234-H255 PolarHBondContact N-NE2 2.73Å; F234-F257 HydrophobicContact CB-CB 3.86Å; F234-F257 HydrophobicContact CB-CD1 3.97Å; F234-F257 HydrophobicContact CB-CG 4.04Å; F234-F257 AromaticContact CD1-CD1 3.9Å; F234-F257 HydrophobicContact CD1-CD1 3.9Å; F234-F257 HydrophobicContact CD1-CE1 4.27Å; F234-F257 HydrophobicContact CD2-CB 4.18Å; F234-F257 AromaticContact CD2-CD1 3.95Å; F234-F257 HydrophobicContact CD2-CD1 3.95Å; F234-F257 HydrophobicContact CE1-CD1 4.39Å; F234-F257 HydrophobicContact CE2-CD1 4.41Å; F234-F257 HydrophobicContact CG-CB 4.19Å; F234-F257 AromaticContact CG-CD1 3.66Å; F234-F257 HydrophobicContact CG-CD1 3.66Å; F234-F257 HydrophobicContact CG-CE1 4.46Å; F234-F257 HydrophobicContact CG-CG 4.22Å
235T98.7Very high97Very high1 Ų156.4 Ų56.41%0.00629%0.289CS..Hα-helixtrans-68.4-37.217853.40000112M191 I192 L222 F231 V232 D233 C238 L239M191-T235 HydrophobicContact CB-CG2 3.94Å; I192-T235 HydrophobicContact CG1-CG2 4.08Å; L222-T235 HydrophobicContact CD1-CG2 3.85Å; L222-T235 WeakPolarHBondContact CD1-OG1 3.49Å; L222-T235 HydrophobicContact CG-CG2 4.47Å; F231-T235 HydrophobicContact CD2-CG2 4.08Å; F231-T235 HydrophobicContact CE2-CG2 3.73Å; F231-T235 HydrophobicContact CZ-CG2 4.35Å; F231-T235 PolarHBondContact O-N 3.15Å; F231-T235 VanDerWaalsContact O-N 3.07Å; F231-T235 PolarHBondContact O-OG1 3.2Å; V232-T235 PolarHBondContact O-OG1 3.07Å; V232-T235 VanDerWaalsContact O-OG1 3.08Å; D233-T235 VanDerWaalsContact C-N 3.33Å; D233-T235 PolarHBondContact O-N 3.01Å; T235-C238 WeakPolarHBondContact O-CB 3.07Å; T235-C238 PolarHBondContact O-N 2.82Å; T235-L239 WeakPolarHBondContact O-CB 3.42Å; T235-L239 WeakPolarHBondContact O-CG 3.5Å; T235-L239 PolarHBondContact O-N 3.17Å
236S98.5Very high97Very high39 Ų3950.1 Ų50.127%0.27326%0.255SS..Hα-helixtrans-64.4-40.117685.30000112.9V232 D233 C238 L239 K240V232-S236 WeakPolarHBondContact O-CB 3.47Å; V232-S236 PolarHBondContact O-N 3.19Å; D233-S236 CarbonylContact O-C 3.59Å; D233-S236 WeakPolarHBondContact O-CA 3.42Å; D233-S236 WeakPolarHBondContact O-CB 3.3Å; D233-S236 PolarHBondContact O-N 2.83Å; D233-S236 PolarHBondContact O-OG 3.11Å; S236-C238 VanDerWaalsContact C-N 3.34Å; S236-C238 PolarHBondContact O-N 3.35Å; S236-L239 CarbonylContact O-C 3.37Å; S236-L239 PolarHBondContact O-N 3.22Å; S236-L239 VanDerWaalsContact O-N 3.16Å; S236-K240 PolarHBondContact O-N 2.84Å
237Q98.7Very high97.1Very high55 Ų5543.6 Ų43.626%0.25723%0.228SC..Hα-helixtrans-63.5-42176.2-64-61.8-2300110.7D233 L239 P247D233-Q237 WeakPolarHBondContact O-CG 3.49Å; D233-Q237 PolarHBondContact O-N 3.47Å; D233-Q237 PolarHBondContact OD1-NE2 3.36Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 2.98Å; Q237-P247 HydrophobicContact CB-CG 4.24Å; Q237-P247 VanDerWaalsContact O-CD 3.27Å; Q237-P247 WeakPolarHBondContact O-CD 3.21Å
238C98.6Very high97Very high0 Ų044 Ų440%023%0.234CC..Hα-helixtrans-62.3-34.9175.2-67.40000112.4I184 W185 F234 T235 S236 R246I184-C238 HydrophobicContact CG2-CB 4.03Å; I184-C238 WeakPolarHBondContact O-CB 3.22Å; W185-C238 WeakPolarHBondContact CA-O 3.28Å; F234-C238 PolarHBondContact O-N 2.86Å; F234-C238 PolarHBondContact O-SG 3.45Å; T235-C238 WeakPolarHBondContact O-CB 3.07Å; T235-C238 PolarHBondContact O-N 2.82Å; S236-C238 VanDerWaalsContact C-N 3.34Å; S236-C238 PolarHBondContact O-N 3.35Å; C238-R246 WeakPolarHBondContact O-CD 3.11Å
239L98.2Very high96.9Very high0 Ų042.8 Ų42.80%023%0.225CC..THydrogen-bonded Turntrans-100.521.4-172.8-65.3176.5000114.4W185 I189 I192 S219 P220 T235 S236 Q237 K241W185-L239 HydrophobicContact CD2-CD2 3.8Å; W185-L239 HydrophobicContact CE3-CD2 3.97Å; W185-L239 HydrophobicContact CG-CD2 4.23Å; W185-L239 HydrophobicContact CH2-CD2 4.44Å; W185-L239 HydrophobicContact CZ2-CD2 4.29Å; W185-L239 HydrophobicContact CZ3-CB 4.41Å; W185-L239 HydrophobicContact CZ3-CD2 4.29Å; W185-L239 WeakPolarHBondContact CZ3-O 3.24Å; W185-L239 WeakPolarHBondContact O-CD2 3.48Å; I189-L239 HydrophobicContact CD1-CD1 4.27Å; I189-L239 HydrophobicContact CD1-CD2 3.58Å; I189-L239 HydrophobicContact CG1-CD2 3.79Å; I192-L239 HydrophobicContact CD1-CD1 3.36Å; I192-L239 HydrophobicContact CG1-CD1 4.29Å; S219-L239 VanDerWaalsContact CB-O 3.24Å; S219-L239 WeakPolarHBondContact CB-O 3.11Å; S219-L239 PolarHBondContact OG-O 2.95Å; P220-L239 WeakPolarHBondContact O-CD1 3.33Å; T235-L239 WeakPolarHBondContact O-CB 3.42Å; T235-L239 WeakPolarHBondContact O-CG 3.5Å; T235-L239 PolarHBondContact O-N 3.17Å; S236-L239 CarbonylContact O-C 3.37Å; S236-L239 PolarHBondContact O-N 3.22Å; S236-L239 VanDerWaalsContact O-N 3.16Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 2.98Å; L239-K241 PolarHBondContact O-N 2.81Å
240K97.3Very high96.9Very high63 Ų6343 Ų4327%0.27422%0.219SC..  trans-61.8121.5166.8-73.1171.6168.7-80.40109.6S236 N242 E245 R246S236-K240 PolarHBondContact O-N 2.84Å; K240-N242 VanDerWaalsContact C-N 3.34Å; K240-N242 PolarHBondContact O-N 2.85Å; K240-E245 HydrophobicContact CB-CB 4.41Å; K240-E245 HydrophobicContact CD-CB 3.76Å; K240-E245 WeakPolarHBondContact CD-O 3.15Å; K240-E245 IonicContact NZ-OE2 3.82Å; K240-R246 HydrophobicContact CB-CG 3.89Å; K240-R246 WeakPolarHBondContact O-CG 3.24Å; K240-R246 PolarHBondContact O-NE 3.1Å
241K92.9Very high96.9Very high57 Ų5744.2 Ų44.225%0.24823%0.225CC..SBendtrans-55.8-48.9-179.5-73.2-77.7-170.5148.10111.6P166 W185 V214 V215 E217 L239 S243 R246P166-K241 HydrophobicContact CG-CD 3.74Å; W185-K241 HydrophobicContact CH2-CD 3.83Å; W185-K241 HydrophobicContact CZ3-CD 4.04Å; W185-K241 HydrophobicContact CZ3-CG 4.49Å; V214-K241 VanDerWaalsContact C-NZ 3.33Å; V214-K241 PolarHBondContact O-NZ 2.86Å; V215-K241 PolarHBondContact O-NZ 3.39Å; E217-K241 WeakPolarHBondContact O-CE 2.95Å; E217-K241 PolarHBondContact O-NZ 2.88Å; L239-K241 PolarHBondContact O-N 2.81Å; K241-S243 PolarHBondContact O-N 3.31Å; K241-S243 VanDerWaalsContact O-N 3.15Å; K241-R246 PolarHBondContact O-NH2 3.36Å
242N92.1Very high96.8Very high72 Ų7244.3 Ų44.339%0.38523%0.226SC..SBendtrans-68.7109.2174-175.1-2.3000110.4K240 K244 E245 R246K240-N242 VanDerWaalsContact C-N 3.34Å; K240-N242 PolarHBondContact O-N 2.85Å; N242-K244 PolarHBondContact O-N 3.17Å; N242-K244 VanDerWaalsContact O-N 3.11Å; N242-K244 WeakPolarHBondContact OD1-CB 3.17Å; N242-K244 PolarHBondContact OD1-N 2.91Å; N242-E245 HydrophobicContact CB-CG 4.11Å; N242-E245 WeakPolarHBondContact CB-OE1 3.32Å; N242-E245 PolarHBondContact ND2-OE1 3.02Å; N242-E245 PolarHBondContact O-N 2.81Å; N242-R246 PolarHBondContact O-N 3.46Å
243S92.2Very high96.8Very high12 Ų1244.4 Ų44.48%0.08423%0.225CC..THydrogen-bonded Turntrans-59.2-24.4-177.966.50000114.2N174 K181 K241 E245N174-S243 PolarHBondContact ND2-OG 2.94Å; K181-S243 WeakPolarHBondContact CG-O 3.37Å; K241-S243 PolarHBondContact O-N 3.31Å; K241-S243 VanDerWaalsContact O-N 3.15Å; S243-E245 VanDerWaalsContact C-N 3.31Å
244K91.7Very high96.8Very high170 Ų17048.4 Ų48.474%0.73924%0.241SC*.THydrogen-bonded Turntrans-70-28.5176.8-64.6-180-179.2174.30112.8N242N242-K244 PolarHBondContact O-N 3.17Å; N242-K244 VanDerWaalsContact O-N 3.11Å; N242-K244 WeakPolarHBondContact OD1-CB 3.17Å; N242-K244 PolarHBondContact OD1-N 2.91Å
245E95.6Very high96.8Very high107 Ų10749.3 Ų49.350%0.525%0.245SC..THydrogen-bonded Turntrans-89.8-14.2-179.4-60.1171.1-146.900112.9K240 N242 S243K240-E245 HydrophobicContact CB-CB 4.41Å; K240-E245 HydrophobicContact CD-CB 3.76Å; K240-E245 WeakPolarHBondContact CD-O 3.15Å; K240-E245 IonicContact NZ-OE2 3.82Å; N242-E245 HydrophobicContact CB-CG 4.11Å; N242-E245 WeakPolarHBondContact CB-OE1 3.32Å; N242-E245 PolarHBondContact ND2-OE1 3.02Å; N242-E245 PolarHBondContact O-N 2.81Å; S243-E245 VanDerWaalsContact C-N 3.31Å
246R96.8Very high96.8Very high2 Ų252.6 Ų52.61%0.00827%0.267CS..SBendtrans-62.4147.6171.5-69.5179.1-140.914611.8109.3E167 K181 C238 K240 K241 N242E167-R246 IonicContact OE1-CZ 2.75Å; E167-R246 IonicContact OE1-NH1 2.85Å; E167-R246 PolarHBondContact OE1-NH1 3.36Å; E167-R246 IonicContact OE1-NH2 2.64Å; E167-R246 IonicContact OE2-CZ 3.71Å; E167-R246 IonicContact OE2-NH1 2.73Å; E167-R246 PolarHBondContact OE2-NH1 3.32Å; E167-R246 IonicContact OE2-NH2 2.64Å; E167-R246 PolarHBondContact OE2-NH2 3.03Å; K181-R246 VanDerWaalsContact C-NH1 3.33Å; K181-R246 HydrophobicContact CD-CB 4.2Å; K181-R246 PolarHBondContact NZ-O 3.23Å; K181-R246 WeakPolarHBondContact O-CD 3.33Å; K181-R246 PolarHBondContact O-NH1 2.85Å; C238-R246 WeakPolarHBondContact O-CD 3.11Å; K240-R246 HydrophobicContact CB-CG 3.89Å; K240-R246 WeakPolarHBondContact O-CG 3.24Å; K240-R246 PolarHBondContact O-NE 3.1Å; K241-R246 PolarHBondContact O-NH2 3.36Å; N242-R246 PolarHBondContact O-N 3.46Å
247P97.7Very high96.8Very high15 Ų1550.8 Ų50.810%0.09725%0.254CS..PPolyproline II helixtrans-67.1168.6174.428.8-35.2000111.8K181 I184 Q237 E251 L252K181-P247 WeakPolarHBondContact CD-O 3.45Å; K181-P247 WeakPolarHBondContact CE-O 3.32Å; I184-P247 WeakPolarHBondContact CD1-O 3.49Å; Q237-P247 HydrophobicContact CB-CG 4.24Å; Q237-P247 VanDerWaalsContact O-CD 3.27Å; Q237-P247 WeakPolarHBondContact O-CD 3.21Å; P247-E251 WeakPolarHBondContact CA-OE2 3.4Å; P247-E251 HydrophobicContact CB-CB 3.85Å; P247-L252 HydrophobicContact CB-CD2 4.16Å; P247-L252 HydrophobicContact CB-CG 4.01Å; P247-L252 HydrophobicContact CG-CD1 4.28Å; P247-L252 HydrophobicContact CG-CD2 3.39Å; P247-L252 HydrophobicContact CG-CG 3.59Å
248T97Very high96.8Very high47 Ų4748.2 Ų48.229%0.28824%0.242SC..PPolyproline II helixtrans-90.2168.4163.7600000109.8E251 L252T248-E251 WeakPolarHBondContact CB-OE2 3.44Å; T248-E251 WeakPolarHBondContact CG2-OE2 3.48Å; T248-E251 PolarHBondContact N-OE2 3.23Å; T248-E251 PolarHBondContact O-N 3.25Å; T248-E251 VanDerWaalsContact OG1-CD 3.25Å; T248-E251 WeakPolarHBondContact OG1-CG 3.12Å; T248-E251 PolarHBondContact OG1-N 3.45Å; T248-E251 PolarHBondContact OG1-OE2 2.81Å; T248-L252 PolarHBondContact O-N 2.67Å
249Y97.3Very high96.9Very high5 Ų550.8 Ų50.82%0.0226%0.258CS..Hα-helixtrans-59.9-43.9175.5-59.9-56.6000113.4L110 E111 H114 V180 D183 I184 E251 L252 M253L110-Y249 HydrophobicContact CB-CD1 4.29Å; L110-Y249 HydrophobicContact CB-CE1 3.59Å; L110-Y249 HydrophobicContact CB-CE2 4.17Å; L110-Y249 HydrophobicContact CD1-CE1 3.9Å; L110-Y249 HydrophobicContact CG-CE1 4.39Å; E111-Y249 HydrophobicContact CB-CD2 4.29Å; E111-Y249 HydrophobicContact CB-CG 4.1Å; H114-Y249 HydrophobicContact CB-CD2 4.42Å; H114-Y249 HydrophobicContact CB-CE2 4.13Å; V180-Y249 HydrophobicContact CB-CE2 3.84Å; V180-Y249 HydrophobicContact CG1-CE2 4.01Å; D183-Y249 VanDerWaalsContact CB-OH 3.24Å; D183-Y249 WeakPolarHBondContact CB-OH 3.43Å; I184-Y249 HydrophobicContact CD1-CD1 4.1Å; I184-Y249 HydrophobicContact CD1-CE1 4.03Å; I184-Y249 HydrophobicContact CG1-CD1 4.07Å; I184-Y249 HydrophobicContact CG1-CE1 3.58Å; Y249-E251 VanDerWaalsContact C-N 3.3Å; Y249-E251 PolarHBondContact O-N 3.44Å; Y249-L252 HydrophobicContact CD1-CD1 4.47Å; Y249-L252 PolarHBondContact O-N 2.69Å; Y249-M253 WeakPolarHBondContact O-CG 3.5Å; Y249-M253 PolarHBondContact O-N 3.02Å
250P97.6Very high96.9Very high79 Ų7954.6 Ų54.651%0.51328%0.278SS..Hα-helixtrans-57.8-40.6174.3-27.336.8000113.1M253 Q254P250-M253 PolarHBondContact O-N 2.65Å; P250-Q254 WeakPolarHBondContact O-CG 3.19Å; P250-Q254 PolarHBondContact O-N 3.24Å
251E98.3Very high96.9Very high111 Ų11151.7 Ų51.752%0.51927%0.265SS..Hα-helixtrans-65.9-41.4176.1-70.9163.2153.500111.8P247 T248 Y249 M253 Q254 H255P247-E251 WeakPolarHBondContact CA-OE2 3.4Å; P247-E251 HydrophobicContact CB-CB 3.85Å; T248-E251 WeakPolarHBondContact CB-OE2 3.44Å; T248-E251 WeakPolarHBondContact CG2-OE2 3.48Å; T248-E251 PolarHBondContact N-OE2 3.23Å; T248-E251 PolarHBondContact O-N 3.25Å; T248-E251 VanDerWaalsContact OG1-CD 3.25Å; T248-E251 WeakPolarHBondContact OG1-CG 3.12Å; T248-E251 PolarHBondContact OG1-N 3.45Å; T248-E251 PolarHBondContact OG1-OE2 2.81Å; Y249-E251 VanDerWaalsContact C-N 3.3Å; Y249-E251 PolarHBondContact O-N 3.44Å; E251-M253 VanDerWaalsContact C-N 3.3Å; E251-M253 PolarHBondContact O-N 3.5Å; E251-Q254 PolarHBondContact O-N 3.22Å; E251-Q254 VanDerWaalsContact O-N 3.12Å; E251-H255 PolarHBondContact O-N 3.24Å
252L98.3Very high97.2Very high1 Ų153 Ų531%0.00527%0.272CS..Hα-helixtrans-62.2-36.6174-77176.2000112.5V107 I184 L187 F234 P247 T248 Y249 Q254 H255 F258V107-L252 HydrophobicContact CG1-CB 4.27Å; V107-L252 HydrophobicContact CG2-CD1 4.44Å; I184-L252 HydrophobicContact CD1-CD1 3.96Å; I184-L252 HydrophobicContact CG1-CD1 3.95Å; I184-L252 HydrophobicContact CG2-CD1 4.03Å; L187-L252 HydrophobicContact CD2-CD1 4.32Å; F234-L252 HydrophobicContact CD2-CD2 4.17Å; F234-L252 HydrophobicContact CE2-CD2 3.74Å; F234-L252 HydrophobicContact CZ-CD2 4.28Å; P247-L252 HydrophobicContact CB-CD2 4.16Å; P247-L252 HydrophobicContact CB-CG 4.01Å; P247-L252 HydrophobicContact CG-CD1 4.28Å; P247-L252 HydrophobicContact CG-CD2 3.39Å; P247-L252 HydrophobicContact CG-CG 3.59Å; T248-L252 PolarHBondContact O-N 2.67Å; Y249-L252 HydrophobicContact CD1-CD1 4.47Å; Y249-L252 PolarHBondContact O-N 2.69Å; L252-Q254 PolarHBondContact O-N 2.97Å; L252-H255 WeakPolarHBondContact O-CB 3.33Å; L252-H255 PolarHBondContact O-N 3.33Å; L252-H255 VanDerWaalsContact O-N 3.12Å; L252-F258 VanDerWaalsContact O-CB 3.23Å; L252-F258 WeakPolarHBondContact O-CB 3.43Å
253M98.6Very high97.5Very high32 Ų3254.2 Ų54.216%0.15829%0.286CS..Hα-helixtrans-68.6-19176.5-69.8-179.1174.500113.1V107 K108 E111 Y249 P250 E251 F258 T259V107-M253 HydrophobicContact CG1-CE 3.92Å; V107-M253 HydrophobicContact CG1-CG 3.73Å; K108-M253 HydrophobicContact CB-CE 4.42Å; K108-M253 HydrophobicContact CG-CE 3.96Å; E111-M253 HydrophobicContact CB-CE 3.29Å; E111-M253 HydrophobicContact CG-CE 3.55Å; E111-M253 HydrophobicContact CG-SD 4.2Å; Y249-M253 WeakPolarHBondContact O-CG 3.5Å; Y249-M253 PolarHBondContact O-N 3.02Å; P250-M253 PolarHBondContact O-N 2.65Å; E251-M253 VanDerWaalsContact C-N 3.3Å; E251-M253 PolarHBondContact O-N 3.5Å; M253-F258 HydrophobicContact CB-CD1 4.21Å; M253-F258 HydrophobicContact CB-CE1 3.93Å; M253-F258 HydrophobicContact CB-CZ 4.12Å; M253-F258 HydrophobicContact CG-CE1 4.02Å; M253-F258 HydrophobicContact CG-CE2 3.97Å; M253-F258 HydrophobicContact CG-CZ 3.67Å; M253-F258 WeakPolarHBondContact O-CD1 3.42Å; M253-T259 VanDerWaalsContact O-CG2 3.3Å; M253-T259 WeakPolarHBondContact O-CG2 3.33Å
254Q98.6Very high97.7Very high148 Ų14857.5 Ų57.569%0.69230%0.299SS*.THydrogen-bonded Turntrans-92.6-6.8172.8-61.6-53.5-57.300112.9P250 E251 L252P250-Q254 WeakPolarHBondContact O-CG 3.19Å; P250-Q254 PolarHBondContact O-N 3.24Å; E251-Q254 PolarHBondContact O-N 3.22Å; E251-Q254 VanDerWaalsContact O-N 3.12Å; L252-Q254 PolarHBondContact O-N 2.97Å
255H98.8Very high98Very high19 Ų1953.3 Ų53.39%0.08830%0.304CS..SBendtrans-63139.6-179.7-169.5-79.1000111.1E230 D233 F234 E251 L252 F257 F258 T259E230-H255 PolarHBondContact O-CE1 2.68Å; E230-H255 VanDerWaalsContact O-CE1 3.31Å; D233-H255 IonicContact OD2-CE1 3.71Å; D233-H255 IonicContact OD2-NE2 3.68Å; D233-H255 PolarHBondContact OD2-NE2 3.41Å; D233-H255 VanDerWaalsContact OD2-NE2 3.08Å; F234-H255 HydrophobicContact CD2-CB 4.18Å; F234-H255 AromaticContact CD2-CG 3.83Å; F234-H255 AromaticContact CD2-ND1 3.73Å; F234-H255 PolarHBondContact N-NE2 2.73Å; E251-H255 PolarHBondContact O-N 3.24Å; L252-H255 WeakPolarHBondContact O-CB 3.33Å; L252-H255 PolarHBondContact O-N 3.33Å; L252-H255 VanDerWaalsContact O-N 3.12Å; H255-F257 VanDerWaalsContact C-N 3.32Å; H255-F257 WeakPolarHBondContact ND1-CB 3.46Å; H255-F257 PolarHBondContact ND1-N 2.94Å; H255-F257 VanDerWaalsContact ND1-N 3.14Å; H255-F257 PolarHBondContact O-N 2.95Å; H255-F258 HydrophobicContact CB-CB 4.43Å; H255-F258 WeakPolarHBondContact O-CB 3.24Å; H255-F258 PolarHBondContact O-N 2.64Å; H255-T259 PolarHBondContact O-N 3.47Å; H255-T259 PolarHBondContact O-OG1 3.04Å
256P98.8Very high98.1Very high71 Ų7149.6 Ų49.646%0.46129%0.289SS..Hα-helixtrans-52.6-44.1-178.8-29.936000114.4E230 F258 T259 L260E230-P256 HydrophobicContact CG-CB 4.06Å; P256-F258 VanDerWaalsContact C-N 3.32Å; P256-F258 PolarHBondContact O-N 3.46Å; P256-T259 PolarHBondContact O-N 3.43Å; P256-T259 PolarHBondContact O-OG1 3.32Å; P256-L260 WeakPolarHBondContact O-CB 3.42Å; P256-L260 PolarHBondContact O-N 3.48Å
257F98.9Very high98.2Very high0 Ų054.1 Ų54.10%031%0.313CS..Hα-helixtrans-55-45173.4-173.1-107.5000112.8E96 A103 E230 F231 F234 H255 H261E96-F257 HydrophobicContact CG-CE2 4.1Å; A103-F257 HydrophobicContact CB-CE1 3.87Å; E230-F257 HydrophobicContact CB-CB 4.05Å; E230-F257 HydrophobicContact CB-CD2 4.34Å; F231-F257 HydrophobicContact CB-CD2 3.68Å; F231-F257 HydrophobicContact CB-CE2 3.45Å; F231-F257 VanDerWaalsContact CB-CE2 3.45Å; F231-F257 HydrophobicContact CB-CZ 4.11Å; F231-F257 HydrophobicContact CD1-CE2 4.48Å; F231-F257 HydrophobicContact CD2-CD1 4.15Å; F231-F257 HydrophobicContact CD2-CD2 4.11Å; F231-F257 AromaticContact CD2-CE1 3.56Å; F231-F257 HydrophobicContact CD2-CE1 3.56Å; F231-F257 AromaticContact CD2-CE2 3.53Å; F231-F257 HydrophobicContact CD2-CE2 3.53Å; F231-F257 HydrophobicContact CD2-CG 4.4Å; F231-F257 AromaticContact CD2-CZ 3.22Å; F231-F257 HydrophobicContact CD2-CZ 3.22Å; F231-F257 AromaticContact CE2-CE1 3.92Å; F231-F257 HydrophobicContact CE2-CE1 3.92Å; F231-F257 HydrophobicContact CE2-CE2 4.42Å; F231-F257 AromaticContact CE2-CZ 3.7Å; F231-F257 HydrophobicContact CE2-CZ 3.7Å; F231-F257 HydrophobicContact CG-CD2 4.21Å; F231-F257 HydrophobicContact CG-CE1 4.44Å; F231-F257 AromaticContact CG-CE2 3.58Å; F231-F257 HydrophobicContact CG-CE2 3.58Å; F231-F257 AromaticContact CG-CZ 3.72Å; F231-F257 HydrophobicContact CG-CZ 3.72Å; F234-F257 HydrophobicContact CB-CB 3.86Å; F234-F257 HydrophobicContact CB-CD1 3.97Å; F234-F257 HydrophobicContact CB-CG 4.04Å; F234-F257 AromaticContact CD1-CD1 3.9Å; F234-F257 HydrophobicContact CD1-CD1 3.9Å; F234-F257 HydrophobicContact CD1-CE1 4.27Å; F234-F257 HydrophobicContact CD2-CB 4.18Å; F234-F257 AromaticContact CD2-CD1 3.95Å; F234-F257 HydrophobicContact CD2-CD1 3.95Å; F234-F257 HydrophobicContact CE1-CD1 4.39Å; F234-F257 HydrophobicContact CE2-CD1 4.41Å; F234-F257 HydrophobicContact CG-CB 4.19Å; F234-F257 AromaticContact CG-CD1 3.66Å; F234-F257 HydrophobicContact CG-CD1 3.66Å; F234-F257 HydrophobicContact CG-CE1 4.46Å; F234-F257 HydrophobicContact CG-CG 4.22Å; H255-F257 VanDerWaalsContact C-N 3.32Å; H255-F257 WeakPolarHBondContact ND1-CB 3.46Å; H255-F257 PolarHBondContact ND1-N 2.94Å; H255-F257 VanDerWaalsContact ND1-N 3.14Å; H255-F257 PolarHBondContact O-N 2.95Å; F257-H261 AromaticContact CD2-CD2 3.63Å; F257-H261 AromaticContact CD2-NE2 3.73Å; F257-H261 AromaticContact CE2-CD2 3.39Å; F257-H261 WeakPolarHBondContact CE2-CD2 2.78Å; F257-H261 AromaticContact CE2-NE2 3.26Å; F257-H261 VanDerWaalsContact CE2-NE2 3.26Å; F257-H261 WeakPolarHBondContact CE2-NE2 3.44Å; F257-H261 AromaticContact CZ-CD2 3.71Å; F257-H261 AromaticContact CZ-NE2 3.87Å; F257-H261 PolarHBondContact O-CD2 3.31Å; F257-H261 PolarHBondContact O-N 3.06Å
258F98.8Very high98.2Very high2 Ų254 Ų541%0.00931%0.312CS..Hα-helixtrans-67.5-51.4-179.5-179.1-79.2000111.2V104 V107 K108 L252 M253 H255 P256 L260 H261 E262V104-F258 HydrophobicContact CB-CD2 4.42Å; V104-F258 HydrophobicContact CB-CE2 4.12Å; V104-F258 HydrophobicContact CG1-CE2 4.08Å; V104-F258 HydrophobicContact CG1-CZ 4.07Å; V104-F258 HydrophobicContact CG2-CD2 3.92Å; V104-F258 HydrophobicContact CG2-CE2 4.04Å; V104-F258 HydrophobicContact CG2-CG 4.24Å; V104-F258 HydrophobicContact CG2-CZ 4.45Å; V107-F258 HydrophobicContact CB-CD2 4.17Å; V107-F258 HydrophobicContact CB-CE2 3.8Å; V107-F258 HydrophobicContact CG1-CD2 4.09Å; V107-F258 HydrophobicContact CG1-CE2 3.7Å; K108-F258 HydrophobicContact CD-CZ 4.45Å; K108-F258 HydrophobicContact CG-CE2 4.4Å; K108-F258 HydrophobicContact CG-CZ 3.99Å; L252-F258 VanDerWaalsContact O-CB 3.23Å; L252-F258 WeakPolarHBondContact O-CB 3.43Å; M253-F258 HydrophobicContact CB-CD1 4.21Å; M253-F258 HydrophobicContact CB-CE1 3.93Å; M253-F258 HydrophobicContact CB-CZ 4.12Å; M253-F258 HydrophobicContact CG-CE1 4.02Å; M253-F258 HydrophobicContact CG-CE2 3.97Å; M253-F258 HydrophobicContact CG-CZ 3.67Å; M253-F258 WeakPolarHBondContact O-CD1 3.42Å; H255-F258 HydrophobicContact CB-CB 4.43Å; H255-F258 WeakPolarHBondContact O-CB 3.24Å; H255-F258 PolarHBondContact O-N 2.64Å; P256-F258 VanDerWaalsContact C-N 3.32Å; P256-F258 PolarHBondContact O-N 3.46Å; F258-L260 VanDerWaalsContact C-N 3.32Å; F258-L260 PolarHBondContact O-N 3.48Å; F258-H261 PolarHBondContact O-N 2.91Å; F258-E262 HydrophobicContact CD1-CB 4.35Å; F258-E262 HydrophobicContact CE1-CB 4.16Å; F258-E262 HydrophobicContact CE1-CG 4.41Å; F258-E262 VanDerWaalsContact O-CB 3.31Å; F258-E262 WeakPolarHBondContact O-CB 3.28Å; F258-E262 PolarHBondContact O-N 3.21Å
259T98.8Very high98.3Very high53 Ų5352.9 Ų52.933%0.32531%0.308SS..Hα-helixtrans-66.2-35.3-174.754.50000112.2M253 H255 P256 S263M253-T259 VanDerWaalsContact O-CG2 3.3Å; M253-T259 WeakPolarHBondContact O-CG2 3.33Å; H255-T259 PolarHBondContact O-N 3.47Å; H255-T259 PolarHBondContact O-OG1 3.04Å; P256-T259 PolarHBondContact O-N 3.43Å; P256-T259 PolarHBondContact O-OG1 3.32Å; T259-S263 PolarHBondContact O-N 2.71Å; T259-S263 PolarHBondContact O-OG 3.37Å; T259-S263 VanDerWaalsContact O-OG 3.08Å
260L98.7Very high98.3Very high81 Ų8155.8 Ų55.842%0.42433%0.329SS..Hα-helixtrans-57.9-56.1171175.362.8000110.9P256 F258 E262 S263 K264P256-L260 WeakPolarHBondContact O-CB 3.42Å; P256-L260 PolarHBondContact O-N 3.48Å; F258-L260 VanDerWaalsContact C-N 3.32Å; F258-L260 PolarHBondContact O-N 3.48Å; L260-E262 VanDerWaalsContact C-N 3.34Å; L260-E262 PolarHBondContact O-N 2.95Å; L260-S263 PolarHBondContact O-N 3.5Å; L260-S263 PolarHBondContact O-OG 2.87Å; L260-K264 VanDerWaalsContact O-CB 3.22Å; L260-K264 WeakPolarHBondContact O-CB 3.23Å; L260-K264 PolarHBondContact O-N 2.78Å
261H98.7Very high98.4Very high1 Ų153 Ų531%0.00531%0.309CS..Hα-helixtrans-78.3-17.4-175-69.1-68.3000113.7D97 G100 K101 V104 F257 F258D97-H261 IonicContact OD1-CE1 3.4Å; D97-H261 PolarHBondContact OD1-CE1 3.01Å; D97-H261 VanDerWaalsContact OD1-CE1 3.28Å; D97-H261 IonicContact OD1-ND1 3.53Å; G100-H261 VanDerWaalsContact CA-CG 3.5Å; K101-H261 WeakPolarHBondContact CD-O 3.21Å; K101-H261 VanDerWaalsContact CE-O 3.22Å; K101-H261 WeakPolarHBondContact CE-O 3.45Å; K101-H261 PolarHBondContact NZ-O 2.97Å; V104-H261 HydrophobicContact CG2-CB 4.1Å; F257-H261 AromaticContact CD2-CD2 3.63Å; F257-H261 AromaticContact CD2-NE2 3.73Å; F257-H261 AromaticContact CE2-CD2 3.39Å; F257-H261 WeakPolarHBondContact CE2-CD2 2.78Å; F257-H261 AromaticContact CE2-NE2 3.26Å; F257-H261 VanDerWaalsContact CE2-NE2 3.26Å; F257-H261 WeakPolarHBondContact CE2-NE2 3.44Å; F257-H261 AromaticContact CZ-CD2 3.71Å; F257-H261 AromaticContact CZ-NE2 3.87Å; F257-H261 PolarHBondContact O-CD2 3.31Å; F257-H261 PolarHBondContact O-N 3.06Å; F258-H261 PolarHBondContact O-N 2.91Å
262E98.4Very high98.3Very high86 Ų8647.8 Ų47.840%0.40228%0.284SS..Hα-helixtrans-63.7-48.1170.3-179.8173.3-134.100110.4K101 V104 K108 F258 L260K101-E262 PolarHBondContact NZ-O 3.09Å; V104-E262 HydrophobicContact CG1-CB 4.44Å; V104-E262 HydrophobicContact CG2-CB 4.33Å; K108-E262 WeakPolarHBondContact CE-OE1 2.92Å; K108-E262 IonicContact NZ-OE1 2.75Å; K108-E262 PolarHBondContact NZ-OE1 3.5Å; F258-E262 HydrophobicContact CD1-CB 4.35Å; F258-E262 HydrophobicContact CE1-CB 4.16Å; F258-E262 HydrophobicContact CE1-CG 4.41Å; F258-E262 VanDerWaalsContact O-CB 3.31Å; F258-E262 WeakPolarHBondContact O-CB 3.28Å; F258-E262 PolarHBondContact O-N 3.21Å; L260-E262 VanDerWaalsContact C-N 3.34Å; L260-E262 PolarHBondContact O-N 2.95Å
263S97.3Very high98.3Very high97 Ų9752 Ų5268%0.67830%0.303SS*.Hα-helixtrans-85.2-28.9-176.260.40000114.3T259 L260 G265T259-S263 PolarHBondContact O-N 2.71Å; T259-S263 PolarHBondContact O-OG 3.37Å; T259-S263 VanDerWaalsContact O-OG 3.08Å; L260-S263 PolarHBondContact O-N 3.5Å; L260-S263 PolarHBondContact O-OG 2.87Å; S263-G265 PolarHBondContact O-N 2.98Å
264K97.6Very high98.3Very high80 Ų8055.2 Ų55.235%0.34832%0.32SS..SBendtrans-62.5128.5-177.1-171.7169.5-178.2179.20112D97 K101 L260 T266D97-K264 WeakPolarHBondContact OD1-CE 3.25Å; D97-K264 IonicContact OD1-NZ 2.65Å; D97-K264 PolarHBondContact OD1-NZ 3.14Å; D97-K264 WeakPolarHBondContact OD2-CE 3.49Å; D97-K264 IonicContact OD2-NZ 2.85Å; D97-K264 PolarHBondContact OD2-NZ 3.44Å; K101-K264 WeakPolarHBondContact CE-O 3.29Å; K101-K264 PolarHBondContact NZ-O 3.18Å; L260-K264 VanDerWaalsContact O-CB 3.22Å; L260-K264 WeakPolarHBondContact O-CB 3.23Å; L260-K264 PolarHBondContact O-N 2.78Å; K264-T266 PolarHBondContact O-N 3.2Å; K264-T266 VanDerWaalsContact O-N 3.09Å
265G97.6Very high98.2Very high83 Ų8348.3 Ų48.386%0.85629%0.287SS*.  trans-74.693.8172.700000111.3S263S263-G265 PolarHBondContact O-N 2.98Å
266T98.3Very high98Very high28 Ų2849.2 Ų49.217%0.17229%0.293CS..  trans-105.4125.2178.1-52.80000110.2D97 I98 K101 K264 V268D97-T266 HydrophobicContact CB-CG2 3.81Å; I98-T266 HydrophobicContact CD1-CG2 3.79Å; K101-T266 HydrophobicContact CG-CG2 4.26Å; K264-T266 PolarHBondContact O-N 3.2Å; K264-T266 VanDerWaalsContact O-N 3.09Å; T266-V268 VanDerWaalsContact C-N 3.32Å; T266-V268 HydrophobicContact CG2-CG2 4.18Å; T266-V268 PolarHBondContact O-N 3.14Å
267D98.1Very high97.4Very high98 Ų9848.5 Ų48.552%0.52430%0.299SS..  trans-79.579.4175-172.2-2.2000111.4A269 S270D267-A269 VanDerWaalsContact C-N 3.31Å; D267-A269 PolarHBondContact OD1-N 3.19Å; D267-S270 PolarHBondContact OD1-N 3.03Å; D267-S270 PolarHBondContact OD1-OG 3.36Å; D267-S270 WeakPolarHBondContact OD2-CB 3.32Å; D267-S270 PolarHBondContact OD2-OG 2.86Å
268V98.4Very high95.6Very high12 Ų1255.7 Ų55.77%0.07334%0.337CS..Hα-helixtrans-66.7-35.6177.1-175.30000111I98 K101 I131 G135 T266 S270 F271 V272I98-V268 HydrophobicContact CD1-CB 4.32Å; I98-V268 HydrophobicContact CD1-CG1 4.43Å; I98-V268 HydrophobicContact CD1-CG2 4.09Å; K101-V268 HydrophobicContact CB-CG2 3.84Å; K101-V268 HydrophobicContact CG-CG2 3.75Å; I131-V268 HydrophobicContact CD1-CG1 4.25Å; G135-V268 WeakPolarHBondContact O-CG1 3.43Å; T266-V268 VanDerWaalsContact C-N 3.32Å; T266-V268 HydrophobicContact CG2-CG2 4.18Å; T266-V268 PolarHBondContact O-N 3.14Å; V268-S270 PolarHBondContact O-N 3.28Å; V268-F271 PolarHBondContact O-N 3.4Å; V268-V272 HydrophobicContact CG1-CG2 3.98Å; V268-V272 VanDerWaalsContact O-CG2 3.26Å; V268-V272 WeakPolarHBondContact O-CG2 3.19Å; V268-V272 PolarHBondContact O-N 3.42Å
269A98.2Very high95.4Very high23 Ų2358.4 Ų58.419%0.1935%0.353CS..Hα-helixtrans-62.3-46.6-175.500000111.8D267 F271 V272 K273D267-A269 VanDerWaalsContact C-N 3.31Å; D267-A269 PolarHBondContact OD1-N 3.19Å; A269-F271 PolarHBondContact O-N 2.97Å; A269-V272 PolarHBondContact O-N 3.5Å; A269-K273 WeakPolarHBondContact O-CG 3.36Å; A269-K273 PolarHBondContact O-N 3.08Å
270S98.1Very high95.3Very high66 Ų6658.6 Ų58.646%0.46236%0.355SS..Hα-helixtrans-63.3-40.9178-66.80000112.3D267 V268 K273 L274D267-S270 PolarHBondContact OD1-N 3.03Å; D267-S270 PolarHBondContact OD1-OG 3.36Å; D267-S270 WeakPolarHBondContact OD2-CB 3.32Å; D267-S270 PolarHBondContact OD2-OG 2.86Å; V268-S270 PolarHBondContact O-N 3.28Å; S270-K273 PolarHBondContact O-N 3.11Å; S270-L274 WeakPolarHBondContact O-CB 3.41Å; S270-L274 PolarHBondContact O-N 3.1Å
271F98.3Very high95.1Very high22 Ų2257.4 Ų57.410%0.09635%0.351CS..Hα-helixtrans-64.5-43.1175.6-177.6-104.5000111.7F83 V87 T93 I94 P95 I98 V268 A269 L274 I275F83-F271 HydrophobicContact CE1-CD1 4.39Å; F83-F271 AromaticContact CE1-CE1 3.87Å; F83-F271 HydrophobicContact CE1-CE1 3.87Å; F83-F271 HydrophobicContact CZ-CD1 4.06Å; F83-F271 AromaticContact CZ-CE1 3.86Å; F83-F271 HydrophobicContact CZ-CE1 3.86Å; V87-F271 HydrophobicContact CG2-CZ 4.46Å; T93-F271 WeakPolarHBondContact O-CZ 3.44Å; I94-F271 HydrophobicContact CG2-CE1 4.28Å; P95-F271 VanDerWaalsContact CD-CZ 3.43Å; P95-F271 HydrophobicContact CG-CD2 4.33Å; P95-F271 HydrophobicContact CG-CE2 4.02Å; P95-F271 HydrophobicContact CG-CZ 4.42Å; I98-F271 HydrophobicContact CB-CD1 4.43Å; I98-F271 HydrophobicContact CD1-CB 3.82Å; I98-F271 HydrophobicContact CD1-CD1 4.1Å; I98-F271 HydrophobicContact CD1-CG 4.08Å; I98-F271 HydrophobicContact CG1-CB 4.29Å; I98-F271 HydrophobicContact CG1-CD1 3.81Å; I98-F271 HydrophobicContact CG1-CE1 4.32Å; I98-F271 HydrophobicContact CG1-CG 4Å; I98-F271 HydrophobicContact CG2-CD1 3.98Å; I98-F271 HydrophobicContact CG2-CE1 4.23Å; V268-F271 PolarHBondContact O-N 3.4Å; A269-F271 PolarHBondContact O-N 2.97Å; F271-L274 WeakPolarHBondContact O-CB 3.43Å; F271-L274 PolarHBondContact O-N 2.98Å; F271-I275 HydrophobicContact CD1-CG1 4.42Å; F271-I275 HydrophobicContact CE1-CG1 4Å; F271-I275 HydrophobicContact CE2-CD1 4.25Å; F271-I275 HydrophobicContact CE2-CG1 4.18Å; F271-I275 HydrophobicContact CZ-CD1 4.11Å; F271-I275 HydrophobicContact CZ-CG1 3.86Å; F271-I275 WeakPolarHBondContact O-CG1 3.12Å; F271-I275 PolarHBondContact O-N 3.47Å; F271-I275 VanDerWaalsContact O-N 3.1Å
272V98.1Very high94.9Very high0 Ų060.7 Ų60.70%037%0.371CS..Hα-helixtrans-61.2-48.8177.7173.20000110.9F83 I131 N132 V268 A269 L274 I275 L276F83-V272 HydrophobicContact CE2-CB 4.41Å; F83-V272 HydrophobicContact CE2-CG1 4.17Å; F83-V272 HydrophobicContact CE2-CG2 4.26Å; F83-V272 HydrophobicContact CZ-CG2 4.12Å; I131-V272 HydrophobicContact CD1-CG2 3.33Å; I131-V272 HydrophobicContact CG1-CG2 3.7Å; N132-V272 WeakPolarHBondContact O-CG1 3.26Å; V268-V272 HydrophobicContact CG1-CG2 3.98Å; V268-V272 VanDerWaalsContact O-CG2 3.26Å; V268-V272 WeakPolarHBondContact O-CG2 3.19Å; V268-V272 PolarHBondContact O-N 3.42Å; A269-V272 PolarHBondContact O-N 3.5Å; V272-L274 VanDerWaalsContact C-N 3.34Å; V272-L274 PolarHBondContact O-N 2.76Å; V272-I275 PolarHBondContact O-N 3.37Å; V272-L276 HydrophobicContact CG1-CD1 3.56Å; V272-L276 HydrophobicContact CG1-CG 3.89Å; V272-L276 WeakPolarHBondContact O-CG 3.4Å; V272-L276 PolarHBondContact O-N 3.26Å
273K97.8Very high94.6Very high91 Ų9159.1 Ų59.140%0.39637%0.369SS..Hα-helixtrans-59.5-42.9178-73.4-179.6-179.4-179.70112.6A133 A269 S270 I275 L276 G277 D278A133-K273 HydrophobicContact CB-CG 4.24Å; A133-K273 VanDerWaalsContact O-CE 3.31Å; A133-K273 WeakPolarHBondContact O-CE 3.3Å; A269-K273 WeakPolarHBondContact O-CG 3.36Å; A269-K273 PolarHBondContact O-N 3.08Å; S270-K273 PolarHBondContact O-N 3.11Å; K273-I275 VanDerWaalsContact C-N 3.26Å; K273-I275 PolarHBondContact O-N 3.46Å; K273-L276 PolarHBondContact O-N 3.08Å; K273-G277 PolarHBondContact O-N 3.35Å; K273-D278 HydrophobicContact CG-CB 4.32Å; K273-D278 PolarHBondContact O-N 3.23Å
274L97.1Very high94.5Very high99 Ų9956.6 Ų56.652%0.51835%0.349SS..Hα-helixtrans-54-44.1173.3173.367.1000111.6K90 S270 F271 V272K90-L274 PolarHBondContact NZ-O 3.41Å; S270-L274 WeakPolarHBondContact O-CB 3.41Å; S270-L274 PolarHBondContact O-N 3.1Å; F271-L274 WeakPolarHBondContact O-CB 3.43Å; F271-L274 PolarHBondContact O-N 2.98Å; V272-L274 VanDerWaalsContact C-N 3.34Å; V272-L274 PolarHBondContact O-N 2.76Å
275I97.7Very high94.2Very high2 Ų254.9 Ų54.91%0.0135%0.349CS..Hα-helixtrans-75.4-44.7-179.1-62.4-55.2000111.8F83 Q86 V87 K90 Q92 F271 V272 K273 G277F83-I275 HydrophobicContact CD2-CB 4.47Å; F83-I275 HydrophobicContact CD2-CG2 3.9Å; F83-I275 HydrophobicContact CE2-CB 3.6Å; F83-I275 HydrophobicContact CE2-CG1 4.23Å; F83-I275 HydrophobicContact CE2-CG2 3.5Å; F83-I275 HydrophobicContact CZ-CB 3.79Å; F83-I275 HydrophobicContact CZ-CG1 3.87Å; F83-I275 HydrophobicContact CZ-CG2 3.89Å; Q86-I275 HydrophobicContact CB-CG2 3.82Å; V87-I275 HydrophobicContact CB-CD1 4.5Å; V87-I275 HydrophobicContact CG2-CB 4.5Å; V87-I275 HydrophobicContact CG2-CD1 3.89Å; V87-I275 HydrophobicContact CG2-CG1 3.9Å; V87-I275 HydrophobicContact CG2-CG2 3.81Å; K90-I275 HydrophobicContact CD-CD1 4.39Å; K90-I275 WeakPolarHBondContact CE-O 3.47Å; K90-I275 PolarHBondContact NZ-O 2.82Å; Q92-I275 HydrophobicContact CB-CD1 4.26Å; Q92-I275 HydrophobicContact CG-CD1 4.28Å; F271-I275 HydrophobicContact CD1-CG1 4.42Å; F271-I275 HydrophobicContact CE1-CG1 4Å; F271-I275 HydrophobicContact CE2-CD1 4.25Å; F271-I275 HydrophobicContact CE2-CG1 4.18Å; F271-I275 HydrophobicContact CZ-CD1 4.11Å; F271-I275 HydrophobicContact CZ-CG1 3.86Å; F271-I275 WeakPolarHBondContact O-CG1 3.12Å; F271-I275 PolarHBondContact O-N 3.47Å; F271-I275 VanDerWaalsContact O-N 3.1Å; V272-I275 PolarHBondContact O-N 3.37Å; K273-I275 VanDerWaalsContact C-N 3.26Å; K273-I275 PolarHBondContact O-N 3.46Å; I275-G277 VanDerWaalsContact C-N 3.26Å; I275-G277 PolarHBondContact O-N 2.96Å
276L94.4Very high94Very high38 Ų3852.8 Ų52.820%0.19931%0.31CS..Hα-helixtrans-70.4-22.6-179.5-62-172.8000113D77 T78 F83 V272 K273D77-L276 HydrophobicContact CB-CD1 3.85Å; T78-L276 HydrophobicContact CG2-CD2 3.95Å; F83-L276 HydrophobicContact CD2-CD2 4Å; F83-L276 HydrophobicContact CE2-CD2 4.27Å; F83-L276 HydrophobicContact CE2-CG 4.46Å; V272-L276 HydrophobicContact CG1-CD1 3.56Å; V272-L276 HydrophobicContact CG1-CG 3.89Å; V272-L276 WeakPolarHBondContact O-CG 3.4Å; V272-L276 PolarHBondContact O-N 3.26Å; K273-L276 PolarHBondContact O-N 3.08Å
277G86.5Confident93.6Very high57 Ų5754.8 Ų54.859%0.58832%0.321SS*.THydrogen-bonded Turntrans81.427.6-176.200000113.6K273 I275K273-G277 PolarHBondContact O-N 3.35Å; I275-G277 VanDerWaalsContact C-N 3.26Å; I275-G277 PolarHBondContact O-N 2.96Å
278D60.5Low93.2Very high150 Ų15050.9 Ų50.980%0.80230%0.303SS*.  trans-96.50178-68.9-36.6000112.8K273K273-D278 HydrophobicContact CG-CB 4.32Å; K273-D278 PolarHBondContact O-N 3.23Å

Retrieved 278 of 278 residues in 124.5 ms (Link to these results)

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