A0A087Y5S6_POEFO Loading...

CUGBP Elav-like family member 3

AlphaFold DB , UniProt , Accession A0A087Y5S6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 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
1M58.8Low79.7Confident218 Ų21873.3 Ų73.3100%1.07439%0.391SS*.  0176.90-71.2166.6169.700108.4
2K70.7Confident80.8Confident90 Ų9067.5 Ų67.539%0.39136%0.361SS..  trans-85.1134.4165.7-176.9177.8175.3176.40108.3A6 Y34 T54K2-A6 HydrophobicContact CD-CB 4.16Å; K2-A6 VanDerWaalsContact CE-CB 3.41Å; K2-A6 WeakPolarHBondContact CE-O 3.01Å; K2-A6 HydrophobicContact CG-CB 3.54Å; K2-Y34 HydrophobicContact CB-CD1 4.4Å; K2-Y34 HydrophobicContact CB-CD2 3.77Å; K2-Y34 HydrophobicContact CB-CE1 4.35Å; K2-Y34 HydrophobicContact CB-CE2 3.7Å; K2-Y34 HydrophobicContact CB-CG 4.13Å; K2-Y34 HydrophobicContact CD-CD1 3.92Å; K2-Y34 HydrophobicContact CD-CE1 3.9Å; K2-Y34 HydrophobicContact CD-CG 4.38Å; K2-Y34 HydrophobicContact CG-CD1 4.35Å; K2-Y34 HydrophobicContact CG-CD2 4.45Å; K2-Y34 HydrophobicContact CG-CG 4.31Å; K2-T54 HydrophobicContact CD-CG2 4.37Å
3E77Confident81.8Confident102 Ų10266.5 Ų66.548%0.47735%0.353SS..  trans-71.6153.8172.4-70.8165-155.500111.3D5 A6 C56 A57E3-D5 PolarHBondContact O-N 3.29Å; E3-A6 HydrophobicContact CB-CB 4.36Å; E3-A6 WeakPolarHBondContact O-CB 3.4Å; E3-A6 PolarHBondContact O-N 3.48Å; E3-C56 WeakPolarHBondContact CB-O 3.38Å; E3-C56 WeakPolarHBondContact CG-O 3.06Å; E3-C56 PolarHBondContact N-O 2.6Å; E3-A57 VanDerWaalsContact OE1-CB 3.23Å; E3-A57 WeakPolarHBondContact OE1-CB 3.25Å; E3-A57 VanDerWaalsContact OE2-CA 3.23Å; E3-A57 WeakPolarHBondContact OE2-CA 3.42Å; E3-A57 WeakPolarHBondContact OE2-CB 3.29Å
4A66.1Low82.6Confident120 Ų12061.9 Ų61.999%0.99233%0.329SS*.THydrogen-bonded Turntrans-59.9-31.5-18000000112.9
5D72.3Confident83.1Confident85 Ų8558.1 Ų58.146%0.45531%0.309SS..THydrogen-bonded Turntrans-9917.7-177.6-161.915.9000112.9E3 I7 R58E3-D5 PolarHBondContact O-N 3.29Å; D5-I7 PolarHBondContact O-N 3.02Å; D5-R58 VanDerWaalsContact CG-CD 3.41Å; D5-R58 WeakPolarHBondContact O-CB 3.32Å; D5-R58 IonicContact OD1-NH1 2.71Å; D5-R58 PolarHBondContact OD1-NH1 2.91Å; D5-R58 WeakPolarHBondContact OD2-CD 3.48Å; D5-R58 IonicContact OD2-CZ 2.6Å; D5-R58 IonicContact OD2-NE 3.43Å; D5-R58 IonicContact OD2-NH1 3.58Å; D5-R58 PolarHBondContact OD2-NH1 2.81Å
6A78.3Confident83.6Confident10 Ų1065.4 Ų65.48%0.08333%0.331CS..  trans-73.7100.3-176.200000112.8K2 E3 Y55K2-A6 HydrophobicContact CD-CB 4.16Å; K2-A6 VanDerWaalsContact CE-CB 3.41Å; K2-A6 WeakPolarHBondContact CE-O 3.01Å; K2-A6 HydrophobicContact CG-CB 3.54Å; E3-A6 HydrophobicContact CB-CB 4.36Å; E3-A6 WeakPolarHBondContact O-CB 3.4Å; E3-A6 PolarHBondContact O-N 3.48Å; A6-Y55 WeakPolarHBondContact CB-O 3.42Å
7I83.1Confident83.9Confident45 Ų4568.9 Ų68.923%0.23135%0.351CS..  trans-61.7135.1179.3-60.6-179.8000111.8D5 L9 R58 A61D5-I7 PolarHBondContact O-N 3.02Å; I7-L9 HydrophobicContact CG2-CD2 4.01Å; I7-R58 HydrophobicContact CD1-CG 3.8Å; I7-R58 HydrophobicContact CG1-CG 4.16Å; I7-A61 HydrophobicContact CB-CB 4.06Å; I7-A61 HydrophobicContact CG2-CB 4.46Å
8K89.6Confident84.2Confident66 Ų6666.9 Ų66.929%0.28734%0.341SS..EExtended strand (participates in β ladder)trans-91.1131.2164.6-170.6160.2-170.31510108.8E35 F52 T54 A86K8-E35 VanDerWaalsContact NZ-CD 3.3Å; K8-E35 IonicContact NZ-OE1 2.61Å; K8-E35 PolarHBondContact NZ-OE1 3.15Å; K8-E35 IonicContact NZ-OE2 2.87Å; K8-E35 PolarHBondContact NZ-OE2 2.92Å; K8-F52 VanDerWaalsContact CE-CB 3.43Å; K8-F52 HydrophobicContact CG-CB 4.47Å; K8-F52 HydrophobicContact CG-CD1 4.45Å; K8-T54 WeakPolarHBondContact CG-OG1 3.49Å; K8-A86 HydrophobicContact CB-CB 4.24Å; K8-A86 HydrophobicContact CG-CB 4.02Å; K8-A86 WeakPolarHBondContact O-CB 3.42Å; K8-A86 PolarHBondContact O-N 3.29Å
9L92.6Very high84.6Confident1 Ų167.1 Ų67.11%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-107.1142.4178.7-61171.1000109.9I7 F52 L53 Y55 A61 A64 V83 K84I7-L9 HydrophobicContact CG2-CD2 4.01Å; L9-F52 WeakPolarHBondContact O-CA 3.5Å; L9-L53 HydrophobicContact CB-CB 4.41Å; L9-L53 WeakPolarHBondContact CB-O 3.25Å; L9-L53 HydrophobicContact CD1-CD2 4.37Å; L9-L53 PolarHBondContact N-O 2.89Å; L9-L53 PolarHBondContact O-N 3.42Å; L9-Y55 HydrophobicContact CD1-CD2 4.17Å; L9-Y55 HydrophobicContact CD1-CE2 3.88Å; L9-A61 HydrophobicContact CD1-CB 3.95Å; L9-A61 HydrophobicContact CD2-CB 4.34Å; L9-A61 HydrophobicContact CG-CB 4.18Å; L9-A64 HydrophobicContact CD1-CB 4.46Å; L9-V83 HydrophobicContact CB-CG1 4.25Å; L9-V83 HydrophobicContact CD1-CG1 3.79Å; L9-V83 HydrophobicContact CD2-CG1 4.29Å; L9-V83 HydrophobicContact CG-CG1 4.35Å; L9-K84 CarbonylContact C-O 3.59Å; L9-K84 VanDerWaalsContact CA-O 3.26Å; L9-K84 WeakPolarHBondContact CA-O 3.27Å
10F94.3Very high85Confident69 Ų6966.5 Ų66.530%0.30334%0.336SS..EExtended strand (participates in β ladder)trans-91.2132.8162176.3-93.2000108.7I39 C50 F52 V83 K84 A86F10-I39 HydrophobicContact CD2-CD1 4.34Å; F10-I39 HydrophobicContact CE2-CD1 4.03Å; F10-C50 HydrophobicContact CE1-CB 4.3Å; F10-C50 HydrophobicContact CE2-CB 3.59Å; F10-C50 HydrophobicContact CZ-CB 3.43Å; F10-C50 VanDerWaalsContact CZ-CB 3.43Å; F10-F52 HydrophobicContact CB-CD1 4.33Å; F10-F52 HydrophobicContact CB-CE1 4.19Å; F10-F52 HydrophobicContact CD2-CD1 4.29Å; F10-F52 AromaticContact CD2-CE1 3.85Å; F10-F52 HydrophobicContact CD2-CE1 3.85Å; F10-F52 HydrophobicContact CD2-CZ 4.39Å; F10-V83 CarbonylContact O-C 3.49Å; F10-V83 WeakPolarHBondContact O-CA 3.31Å; F10-K84 PolarHBondContact N-O 3.01Å; F10-K84 PolarHBondContact O-N 2.78Å; F10-A86 HydrophobicContact CB-CB 4.26Å
11V94.4Very high85.4Confident0 Ų069.8 Ų69.80%035%0.348CS..EExtended strand (participates in β ladder)trans-120.7100.8-179.7-176.40000108I14 F27 C50 A51 L53 I81 V83V11-I14 HydrophobicContact CB-CD1 4.11Å; V11-I14 HydrophobicContact CG1-CD1 3.68Å; V11-I14 HydrophobicContact CG1-CG1 4Å; V11-I14 WeakPolarHBondContact O-CD1 3.39Å; V11-F27 HydrophobicContact CG1-CE1 4.11Å; V11-F27 HydrophobicContact CG1-CE2 4.41Å; V11-F27 HydrophobicContact CG1-CZ 3.56Å; V11-F27 HydrophobicContact CG2-CE1 4.25Å; V11-F27 HydrophobicContact CG2-CZ 4.3Å; V11-C50 CarbonylContact O-C 3.57Å; V11-C50 WeakPolarHBondContact O-CA 3.29Å; V11-C50 VanDerWaalsContact O-CB 3.27Å; V11-C50 WeakPolarHBondContact O-CB 3.21Å; V11-A51 PolarHBondContact N-O 3.49Å; V11-A51 PolarHBondContact O-N 3.03Å; V11-L53 HydrophobicContact CG2-CB 4Å; V11-L53 HydrophobicContact CG2-CD2 4.21Å; V11-I81 HydrophobicContact CG1-CG2 3.59Å; V11-V83 HydrophobicContact CG1-CG2 4.39Å; V11-V83 HydrophobicContact CG2-CG2 4.43Å
12G92.9Very high87Confident4 Ų462.3 Ų62.34%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-92170.1175.500000113.7Q82G12-Q82 PolarHBondContact N-O 3.22Å; G12-Q82 PolarHBondContact O-N 3Å
13Q93Very high88Confident55 Ų5558 Ų5826%0.25729%0.294SS..  trans62.446.8-178.4-52.9-61.1-28.400113.6G49 M77 R79 P80 Q82Q13-G49 PolarHBondContact N-O 2.71Å; Q13-M77 HydrophobicContact CB-CE 4.03Å; Q13-R79 HydrophobicContact CG-CB 4.08Å; Q13-P80 WeakPolarHBondContact CB-O 3.32Å; Q13-P80 WeakPolarHBondContact CG-O 3.23Å; Q13-Q82 HydrophobicContact CG-CG 4.28Å
14I93.1Very high88.8Confident1 Ų157.3 Ų57.31%0.00529%0.289CS..  trans-98.9132173.8-59.1179000110.4V11 L18 L23 H47 G49 A51 L74V11-I14 HydrophobicContact CB-CD1 4.11Å; V11-I14 HydrophobicContact CG1-CD1 3.68Å; V11-I14 HydrophobicContact CG1-CG1 4Å; V11-I14 WeakPolarHBondContact O-CD1 3.39Å; I14-L18 HydrophobicContact CG2-CB 4.41Å; I14-L23 HydrophobicContact CD1-CD1 4Å; I14-L23 HydrophobicContact CD1-CD2 4.29Å; I14-L23 HydrophobicContact CG2-CD1 4.03Å; I14-L23 HydrophobicContact CG2-CD2 3.78Å; I14-L23 HydrophobicContact CG2-CG 4.48Å; I14-H47 WeakPolarHBondContact CG2-NE2 3.37Å; I14-H47 PolarHBondContact O-CE1 3.31Å; I14-G49 PolarHBondContact N-O 2.69Å; I14-G49 WeakPolarHBondContact O-CA 3.43Å; I14-A51 HydrophobicContact CD1-CB 3.55Å; I14-L74 HydrophobicContact CG1-CD1 4.42Å
15P90.8Very high90.1Very high6 Ų655.5 Ų55.54%0.03927%0.268CS..  trans-57.1137.5173.6-16.824.1000112.1N17 L18 L74 P75 M77P15-N17 VanDerWaalsContact CB-OD1 3.23Å; P15-N17 WeakPolarHBondContact CB-OD1 3.49Å; P15-N17 PolarHBondContact O-N 3.23Å; P15-L18 HydrophobicContact CB-CD1 4.46Å; P15-L18 HydrophobicContact CB-CG 4.18Å; P15-L18 HydrophobicContact CG-CD1 3.89Å; P15-L18 HydrophobicContact CG-CG 4.16Å; P15-L18 PolarHBondContact O-N 3Å; P15-L18 VanDerWaalsContact O-N 3.16Å; P15-L74 HydrophobicContact CG-CB 3.76Å; P15-L74 HydrophobicContact CG-CD1 4.42Å; P15-P75 VanDerWaalsContact CG-O 3.28Å; P15-P75 WeakPolarHBondContact CG-O 3.37Å; P15-M77 HydrophobicContact CB-SD 4.31Å; P15-M77 HydrophobicContact CG-CG 3.8Å; P15-M77 HydrophobicContact CG-SD 4.16Å
16R90.1Very high91Very high175 Ų17553 Ų5366%0.6625%0.254SS*.THydrogen-bonded Turntrans-68.4-5.8-174.4-62-170.6-179.6171.3-0115.4H47R16-H47 HydrophobicContact CB-CB 4.09Å; R16-H47 WeakPolarHBondContact CD-O 2.94Å; R16-H47 HydrophobicContact CG-CB 4.49Å; R16-H47 WeakPolarHBondContact CG-O 3.36Å; R16-H47 WeakPolarHBondContact O-CB 3.23Å
17N89.1Confident91.7Very high125 Ų12552.6 Ų52.667%0.66825%0.25SS*.THydrogen-bonded Turntrans-103.7-1.1179.563.9-75.7000113.7P15P15-N17 VanDerWaalsContact CB-OD1 3.23Å; P15-N17 WeakPolarHBondContact CB-OD1 3.49Å; P15-N17 PolarHBondContact O-N 3.23Å
18L90.3Very high92.3Very high32 Ų3254.3 Ų54.317%0.16826%0.257CS..  trans-94.5144.3172-60.9-173.3000110I14 P15 D22 L23 H47 L74I14-L18 HydrophobicContact CG2-CB 4.41Å; P15-L18 HydrophobicContact CB-CD1 4.46Å; P15-L18 HydrophobicContact CB-CG 4.18Å; P15-L18 HydrophobicContact CG-CD1 3.89Å; P15-L18 HydrophobicContact CG-CG 4.16Å; P15-L18 PolarHBondContact O-N 3Å; P15-L18 VanDerWaalsContact O-N 3.16Å; L18-D22 HydrophobicContact CB-CB 4.36Å; L18-D22 HydrophobicContact CD2-CB 4.03Å; L18-L23 HydrophobicContact CB-CD2 4.24Å; L18-L23 HydrophobicContact CB-CG 4.3Å; L18-L23 HydrophobicContact CD1-CD2 4.04Å; L18-H47 PolarHBondContact O-CD2 2.99Å; L18-H47 PolarHBondContact O-NE2 2.71Å; L18-L74 HydrophobicContact CD1-CD1 4.43Å
19E91.9Very high92.4Very high71 Ų7157.2 Ų57.233%0.33227%0.272SS..  trans-118.1176.8175.4-60.9-162.2102.900111.5K21 D22 L23 K40E19-K21 HydrophobicContact CB-CD 4.33Å; E19-K21 HydrophobicContact CB-CG 4.3Å; E19-K21 PolarHBondContact O-N 2.81Å; E19-K21 IonicContact OE2-NZ 3.69Å; E19-K21 PolarHBondContact OE2-NZ 3.05Å; E19-D22 PolarHBondContact N-OD2 2.88Å; E19-D22 PolarHBondContact O-N 2.93Å; E19-L23 VanDerWaalsContact O-CG 3.31Å; E19-L23 WeakPolarHBondContact O-CG 3.28Å; E19-L23 PolarHBondContact O-N 3.18Å; E19-K40 IonicContact OE1-NZ 2.66Å; E19-K40 PolarHBondContact OE1-NZ 3.35Å
20E92.6Very high92.5Very high55 Ų5558.8 Ų58.826%0.25728%0.279SS..Hα-helixtrans-46.4-40.2177.2-69.683.5169.600112.7K24 L36 V38 K40E20-K24 VanDerWaalsContact O-CB 3.28Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.44Å; E20-L36 HydrophobicContact CG-CG 4.48Å; E20-V38 HydrophobicContact CG-CB 4.47Å; E20-V38 HydrophobicContact CG-CG2 3.98Å; E20-V38 WeakPolarHBondContact OE1-CB 3.26Å; E20-V38 PolarHBondContact OE1-N 2.83Å; E20-K40 IonicContact OE2-NZ 2.72Å; E20-K40 PolarHBondContact OE2-NZ 3.49Å
21K93.3Very high92.4Very high135 Ų13556.5 Ų56.559%0.58728%0.275SS*.Hα-helixtrans-63-38.5179.573.1-157.1179.2-157.60113.6E19 P25E19-K21 HydrophobicContact CB-CD 4.33Å; E19-K21 HydrophobicContact CB-CG 4.3Å; E19-K21 PolarHBondContact O-N 2.81Å; E19-K21 IonicContact OE2-NZ 3.69Å; E19-K21 PolarHBondContact OE2-NZ 3.05Å; K21-P25 VanDerWaalsContact O-CD 3.28Å; K21-P25 WeakPolarHBondContact O-CD 3.19Å
22D92.2Very high92.3Very high61 Ų6164 Ų6433%0.32631%0.307SS..Hα-helixtrans-85-31.7-175.5-43.1-69.9000110.5L18 E19L18-D22 HydrophobicContact CB-CB 4.36Å; L18-D22 HydrophobicContact CD2-CB 4.03Å; E19-D22 PolarHBondContact N-OD2 2.88Å; E19-D22 PolarHBondContact O-N 2.93Å
23L92Very high92.4Very high0 Ų064.8 Ų64.80%031%0.311CS..Hα-helixtrans-75.8-38.9176.5-64.6169.2000112I14 L18 E19 I26 F27 L36 V38 A51 L74I14-L23 HydrophobicContact CD1-CD1 4Å; I14-L23 HydrophobicContact CD1-CD2 4.29Å; I14-L23 HydrophobicContact CG2-CD1 4.03Å; I14-L23 HydrophobicContact CG2-CD2 3.78Å; I14-L23 HydrophobicContact CG2-CG 4.48Å; L18-L23 HydrophobicContact CB-CD2 4.24Å; L18-L23 HydrophobicContact CB-CG 4.3Å; L18-L23 HydrophobicContact CD1-CD2 4.04Å; E19-L23 VanDerWaalsContact O-CG 3.31Å; E19-L23 WeakPolarHBondContact O-CG 3.28Å; E19-L23 PolarHBondContact O-N 3.18Å; L23-I26 WeakPolarHBondContact O-CA 3.49Å; L23-I26 WeakPolarHBondContact O-CB 3.49Å; L23-I26 PolarHBondContact O-N 2.93Å; L23-F27 HydrophobicContact CB-CD2 4.21Å; L23-F27 HydrophobicContact CB-CE2 4.1Å; L23-F27 HydrophobicContact CD2-CE2 4.24Å; L23-F27 WeakPolarHBondContact O-CD2 3.44Å; L23-F27 PolarHBondContact O-N 3.32Å; L23-L36 HydrophobicContact CB-CD2 4Å; L23-V38 HydrophobicContact CD1-CG2 3.74Å; L23-A51 HydrophobicContact CD1-CB 4.49Å; L23-L74 HydrophobicContact CD2-CD1 4.49Å
24K93.1Very high92.3Very high88 Ų8868.4 Ų68.438%0.38332%0.323SS..Hα-helixtrans-45.5-54.5-176.7-167.6178.7-174-97.70113.9E20 I26 F27 E28 I33 L36E20-K24 VanDerWaalsContact O-CB 3.28Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.44Å; K24-I26 PolarHBondContact O-N 3.34Å; K24-F27 PolarHBondContact O-N 3.16Å; K24-F27 VanDerWaalsContact O-N 3.1Å; K24-E28 WeakPolarHBondContact CE-OE1 3.49Å; K24-E28 IonicContact NZ-OE1 3.74Å; K24-E28 PolarHBondContact NZ-OE1 2.94Å; K24-E28 IonicContact NZ-OE2 3.68Å; K24-E28 PolarHBondContact NZ-OE2 3.2Å; K24-E28 VanDerWaalsContact O-CB 3.26Å; K24-E28 WeakPolarHBondContact O-CB 3.28Å; K24-E28 PolarHBondContact O-N 3.08Å; K24-I33 HydrophobicContact CG-CD1 3.95Å; K24-L36 HydrophobicContact CB-CD2 4.14Å
25P93.8Very high92.2Very high82 Ų8271.3 Ų71.353%0.53234%0.336SS..Hα-helixtrans-63.1-27.2-179.525.1-35.4000113.8K21 F27K21-P25 VanDerWaalsContact O-CD 3.28Å; K21-P25 WeakPolarHBondContact O-CD 3.19Å; P25-F27 VanDerWaalsContact C-N 3.29Å; P25-F27 PolarHBondContact O-N 3.48Å
26I91.4Very high92.4Very high33 Ų3372.3 Ų72.317%0.16934%0.341CS..Hα-helixtrans-70.8-27.4178.2-49.7178.3000111.4L23 K24 Q29 F30 L74L23-I26 WeakPolarHBondContact O-CA 3.49Å; L23-I26 WeakPolarHBondContact O-CB 3.49Å; L23-I26 PolarHBondContact O-N 2.93Å; K24-I26 PolarHBondContact O-N 3.34Å; I26-Q29 VanDerWaalsContact O-CG 3.29Å; I26-Q29 WeakPolarHBondContact O-CG 3.4Å; I26-F30 WeakPolarHBondContact O-CE2 3.33Å; I26-L74 HydrophobicContact CD1-CD2 3.94Å
27F93.1Very high92.5Very high1 Ų166.9 Ų66.90%0.00433%0.327CS..Hα-helixtrans-100.9-32.8-179.9-67.2-70.6000112.9V11 L23 K24 P25 Q29 F30 I33 L53 Y55 L68 V83V11-F27 HydrophobicContact CG1-CE1 4.11Å; V11-F27 HydrophobicContact CG1-CE2 4.41Å; V11-F27 HydrophobicContact CG1-CZ 3.56Å; V11-F27 HydrophobicContact CG2-CE1 4.25Å; V11-F27 HydrophobicContact CG2-CZ 4.3Å; L23-F27 HydrophobicContact CB-CD2 4.21Å; L23-F27 HydrophobicContact CB-CE2 4.1Å; L23-F27 HydrophobicContact CD2-CE2 4.24Å; L23-F27 WeakPolarHBondContact O-CD2 3.44Å; L23-F27 PolarHBondContact O-N 3.32Å; K24-F27 PolarHBondContact O-N 3.16Å; K24-F27 VanDerWaalsContact O-N 3.1Å; P25-F27 VanDerWaalsContact C-N 3.29Å; P25-F27 PolarHBondContact O-N 3.48Å; F27-Q29 PolarHBondContact O-N 3.09Å; F27-Q29 VanDerWaalsContact O-N 3.15Å; F27-F30 PolarHBondContact O-N 3.19Å; F27-I33 HydrophobicContact CB-CD1 3.8Å; F27-L53 HydrophobicContact CB-CD1 4.29Å; F27-L53 HydrophobicContact CB-CD2 3.85Å; F27-L53 HydrophobicContact CD1-CD2 3.28Å; F27-L53 HydrophobicContact CD2-CD2 4.3Å; F27-L53 HydrophobicContact CE1-CD2 3.9Å; F27-L53 HydrophobicContact CG-CD2 3.54Å; F27-Y55 WeakPolarHBondContact CB-OH 3.23Å; F27-Y55 PolarHBondContact O-OH 2.88Å; F27-L68 HydrophobicContact CD1-CD1 3.54Å; F27-L68 HydrophobicContact CE1-CD1 3.24Å; F27-L68 HydrophobicContact CZ-CD1 4.19Å; F27-V83 HydrophobicContact CE1-CG2 4.44Å
28E93.9Very high92.7Very high81 Ų8161.2 Ų61.238%0.37930%0.298SS..Hα-helixtrans-64.5-22.9-176.3-166.4154-128.600112.8K24 F30 G31 I33K24-E28 WeakPolarHBondContact CE-OE1 3.49Å; K24-E28 IonicContact NZ-OE1 3.74Å; K24-E28 PolarHBondContact NZ-OE1 2.94Å; K24-E28 IonicContact NZ-OE2 3.68Å; K24-E28 PolarHBondContact NZ-OE2 3.2Å; K24-E28 VanDerWaalsContact O-CB 3.26Å; K24-E28 WeakPolarHBondContact O-CB 3.28Å; K24-E28 PolarHBondContact O-N 3.08Å; E28-F30 PolarHBondContact O-N 2.98Å; E28-G31 PolarHBondContact O-N 3.15Å; E28-G31 VanDerWaalsContact O-N 3.09Å; E28-I33 HydrophobicContact CB-CD1 3.97Å; E28-I33 HydrophobicContact CB-CG1 4.44Å
29Q93.4Very high92.7Very high127 Ų12761.7 Ų61.759%0.59330%0.3SS*.THydrogen-bonded Turntrans-60.6-18.4169.956.7161.899.200114.9I26 F27I26-Q29 VanDerWaalsContact O-CG 3.29Å; I26-Q29 WeakPolarHBondContact O-CG 3.4Å; F27-Q29 PolarHBondContact O-N 3.09Å; F27-Q29 VanDerWaalsContact O-N 3.15Å
30F93.5Very high92.7Very high33 Ų3362 Ų6215%0.14530%0.3CS..THydrogen-bonded Turntrans-95.6-7176.1-57.7-71.8000113.3I26 F27 E28 Y55 S60 K63 A64 A67 L68I26-F30 WeakPolarHBondContact O-CE2 3.33Å; F27-F30 PolarHBondContact O-N 3.19Å; E28-F30 PolarHBondContact O-N 2.98Å; F30-Y55 HydrophobicContact CB-CE1 4.36Å; F30-S60 WeakPolarHBondContact O-CA 3.35Å; F30-S60 WeakPolarHBondContact O-CB 3.48Å; F30-S60 PolarHBondContact O-OG 3.47Å; F30-S60 VanDerWaalsContact O-OG 3.05Å; F30-K63 HydrophobicContact CD1-CB 4.46Å; F30-A64 HydrophobicContact CB-CB 3.82Å; F30-A64 HydrophobicContact CD2-CB 3.92Å; F30-A64 HydrophobicContact CG-CB 3.85Å; F30-A67 HydrophobicContact CD1-CB 4.19Å; F30-A67 HydrophobicContact CE1-CB 3.31Å; F30-A67 HydrophobicContact CZ-CB 3.72Å; F30-L68 HydrophobicContact CD2-CD1 4.23Å; F30-L68 HydrophobicContact CE2-CD1 3.61Å; F30-L68 HydrophobicContact CE2-CD2 3.91Å; F30-L68 HydrophobicContact CE2-CG 3.69Å; F30-L68 HydrophobicContact CZ-CD1 4.32Å; F30-L68 HydrophobicContact CZ-CD2 3.93Å; F30-L68 HydrophobicContact CZ-CG 3.88Å
31G92.1Very high92.3Very high22 Ų2261.4 Ų61.423%0.22730%0.299CS..SBendtrans141.5177.7175.200000113.2E28 I33 Y55 S60E28-G31 PolarHBondContact O-N 3.15Å; E28-G31 VanDerWaalsContact O-N 3.09Å; G31-I33 PolarHBondContact O-N 2.96Å; G31-Y55 WeakPolarHBondContact O-CD1 3.21Å; G31-Y55 WeakPolarHBondContact O-CE1 3.35Å; G31-S60 WeakPolarHBondContact CA-OG 3.47Å
32K93.3Very high91.7Very high156 Ų15664.1 Ų64.168%0.67831%0.31SS*.  trans-66118.9-173.1-167.8169.6-174163.60111.3C56K32-C56 HydrophobicContact CB-CB 4.34Å; K32-C56 PolarHBondContact O-N 2.96Å
33I94Very high91Very high22 Ų2269.3 Ų69.311%0.11333%0.327CS..EExtended strand (participates in β ladder)trans-74.4135.5175.3-61.8174.5000109.1K24 F27 E28 G31 L36 L53 Y55K24-I33 HydrophobicContact CG-CD1 3.95Å; F27-I33 HydrophobicContact CB-CD1 3.8Å; E28-I33 HydrophobicContact CB-CD1 3.97Å; E28-I33 HydrophobicContact CB-CG1 4.44Å; G31-I33 PolarHBondContact O-N 2.96Å; I33-L36 HydrophobicContact CG2-CB 4.02Å; I33-L53 HydrophobicContact CD1-CD1 4.08Å; I33-L53 HydrophobicContact CG1-CD1 4.02Å; I33-L53 HydrophobicContact CG2-CD1 3.91Å; I33-Y55 HydrophobicContact CG1-CD1 4.21Å; I33-Y55 HydrophobicContact CG1-CE1 3.94Å
34Y91.8Very high90.6Very high131 Ų13172.4 Ų72.451%0.51435%0.346SS..EExtended strand (participates in β ladder)trans-93.9-43.9170.2177.8-98.7000111.5K2 T54K2-Y34 HydrophobicContact CB-CD1 4.4Å; K2-Y34 HydrophobicContact CB-CD2 3.77Å; K2-Y34 HydrophobicContact CB-CE1 4.35Å; K2-Y34 HydrophobicContact CB-CE2 3.7Å; K2-Y34 HydrophobicContact CB-CG 4.13Å; K2-Y34 HydrophobicContact CD-CD1 3.92Å; K2-Y34 HydrophobicContact CD-CE1 3.9Å; K2-Y34 HydrophobicContact CD-CG 4.38Å; K2-Y34 HydrophobicContact CG-CD1 4.35Å; K2-Y34 HydrophobicContact CG-CD2 4.45Å; K2-Y34 HydrophobicContact CG-CG 4.31Å; Y34-T54 WeakPolarHBondContact CA-O 3.27Å; Y34-T54 WeakPolarHBondContact CB-O 3.08Å; Y34-T54 HydrophobicContact CD1-CG2 4.25Å; Y34-T54 PolarHBondContact N-O 3.05Å
35E91.4Very high90.2Very high62 Ų6270.6 Ų70.629%0.2935%0.352SS..EExtended strand (participates in β ladder)trans-147.2133.1-176.8-180-163-171.800108.2K8 T54K8-E35 VanDerWaalsContact NZ-CD 3.3Å; K8-E35 IonicContact NZ-OE1 2.61Å; K8-E35 PolarHBondContact NZ-OE1 3.15Å; K8-E35 IonicContact NZ-OE2 2.87Å; K8-E35 PolarHBondContact NZ-OE2 2.92Å; E35-T54 PolarHBondContact N-O 2.99Å; E35-T54 PolarHBondContact O-N 2.83Å; E35-T54 PolarHBondContact OE2-OG1 3.07Å
36L94.1Very high89.7Confident26 Ų2671.1 Ų71.114%0.13635%0.348CS..EExtended strand (participates in β ladder)trans-135.7125.2168.2170.758.8000106.7E20 L23 K24 I33 A51 F52 L53E20-L36 HydrophobicContact CG-CG 4.48Å; L23-L36 HydrophobicContact CB-CD2 4Å; K24-L36 HydrophobicContact CB-CD2 4.14Å; I33-L36 HydrophobicContact CG2-CB 4.02Å; L36-A51 HydrophobicContact CD1-CB 4.17Å; L36-F52 WeakPolarHBondContact CA-O 3.31Å; L36-L53 HydrophobicContact CB-CD1 4.29Å; L36-L53 HydrophobicContact CD1-CB 4.26Å; L36-L53 HydrophobicContact CD1-CD1 4.24Å
37T92.6Very high89.8Confident61 Ų6170.1 Ų70.137%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-141.5116.5-173.3-53.50000109.2A51 F52T37-A51 CarbonylContact O-C 3.57Å; T37-A51 WeakPolarHBondContact O-CA 3.26Å; T37-A51 WeakPolarHBondContact O-CB 3.28Å; T37-F52 PolarHBondContact N-O 2.87Å; T37-F52 PolarHBondContact O-N 2.8Å
38V93.2Very high89.6Confident7 Ų776 Ų764%0.04237%0.368CS..EExtended strand (participates in β ladder)trans-70.5133.5173.6170.20000108.7E20 L23 K40 H47 A51E20-V38 HydrophobicContact CG-CB 4.47Å; E20-V38 HydrophobicContact CG-CG2 3.98Å; E20-V38 WeakPolarHBondContact OE1-CB 3.26Å; E20-V38 PolarHBondContact OE1-N 2.83Å; L23-V38 HydrophobicContact CD1-CG2 3.74Å; V38-K40 HydrophobicContact CB-CG 4.44Å; V38-K40 HydrophobicContact CG1-CD 4.47Å; V38-K40 HydrophobicContact CG1-CG 3.81Å; V38-K40 PolarHBondContact O-N 3.33Å; V38-H47 HydrophobicContact CG1-CB 4.41Å; V38-H47 WeakPolarHBondContact CG1-CD2 3.49Å; V38-H47 WeakPolarHBondContact CG1-NE2 3.42Å; V38-A51 HydrophobicContact CG2-CB 4.33Å
39I91.1Very high89.5Confident41 Ų4172.9 Ų72.921%0.2136%0.358CS..EExtended strand (participates in β ladder)trans-77.996.9173.4-49-174.7000107.6F10 K48 C50 F52F10-I39 HydrophobicContact CD2-CD1 4.34Å; F10-I39 HydrophobicContact CE2-CD1 4.03Å; I39-K48 HydrophobicContact CG2-CB 4.46Å; I39-K48 HydrophobicContact CG2-CD 3.79Å; I39-K48 HydrophobicContact CG2-CG 4.31Å; I39-K48 VanDerWaalsContact O-CB 3.3Å; I39-K48 WeakPolarHBondContact O-CB 3.34Å; I39-K48 WeakPolarHBondContact O-CG 3.33Å; I39-K48 PolarHBondContact O-N 3.47Å; I39-C50 PolarHBondContact N-O 2.89Å; I39-F52 HydrophobicContact CD1-CD2 3.66Å; I39-F52 HydrophobicContact CD1-CE1 4.47Å; I39-F52 HydrophobicContact CD1-CE2 3.38Å; I39-F52 HydrophobicContact CD1-CG 4.33Å; I39-F52 HydrophobicContact CD1-CZ 3.83Å; I39-F52 HydrophobicContact CG1-CD2 3.88Å; I39-F52 HydrophobicContact CG1-CE2 4.03Å
40K90.4Very high89.5Confident77 Ų7767.7 Ų67.734%0.33534%0.336SS..EExtended strand (participates in β ladder)trans-91.7144.5171.6-66.8172.5177.2159.20109.3E19 E20 V38 K42 M46E19-K40 IonicContact OE1-NZ 2.66Å; E19-K40 PolarHBondContact OE1-NZ 3.35Å; E20-K40 IonicContact OE2-NZ 2.72Å; E20-K40 PolarHBondContact OE2-NZ 3.49Å; V38-K40 HydrophobicContact CB-CG 4.44Å; V38-K40 HydrophobicContact CG1-CD 4.47Å; V38-K40 HydrophobicContact CG1-CG 3.81Å; V38-K40 PolarHBondContact O-N 3.33Å; K40-K42 PolarHBondContact O-N 3.1Å; K40-M46 CarbonylContact C-O 3.53Å; K40-M46 WeakPolarHBondContact CA-O 3.41Å
41D84.4Confident89.6Confident44 Ų4466.1 Ų66.124%0.23533%0.329CS..  trans-65.8126.2174.2178.2-106.1000110.1Y43 T44 G45 M46 K48D41-Y43 PolarHBondContact O-N 2.71Å; D41-Y43 PolarHBondContact OD1-N 3.39Å; D41-T44 WeakPolarHBondContact OD1-CB 3.42Å; D41-T44 PolarHBondContact OD1-N 2.75Å; D41-T44 PolarHBondContact OD1-OG1 2.94Å; D41-G45 VanDerWaalsContact O-CA 3.28Å; D41-G45 WeakPolarHBondContact O-CA 3.28Å; D41-G45 PolarHBondContact O-N 3.23Å; D41-M46 PolarHBondContact N-O 2.98Å; D41-K48 HydrophobicContact CB-CG 4.27Å
42K80.8Confident89.7Confident191 Ų19167.4 Ų67.483%0.8333%0.328SS*.THydrogen-bonded Turntrans-63.5-28.9-170.1-174.5176.8177.2-175.90113.4K40K40-K42 PolarHBondContact O-N 3.1Å
43Y77Confident89.7Confident170 Ų17060 Ų6067%0.66730%0.296SS*.THydrogen-bonded Turntrans-94.2-35.6-174.3-61.6-88.5000112.5D41D41-Y43 PolarHBondContact O-N 2.71Å; D41-Y43 PolarHBondContact OD1-N 3.39Å
44T84.9Confident89.6Confident66 Ų6658.9 Ų58.941%0.40529%0.29SS..THydrogen-bonded Turntrans-114.63.3-174.163.70000114.5D41 M46 R367D41-T44 WeakPolarHBondContact OD1-CB 3.42Å; D41-T44 PolarHBondContact OD1-N 2.75Å; D41-T44 PolarHBondContact OD1-OG1 2.94Å; T44-M46 WeakPolarHBondContact O-CG 3.23Å; T44-M46 PolarHBondContact O-N 3.41Å; T44-R367 VanDerWaalsContact CG2-NH1 3.35Å; T44-R367 PolarHBondContact OG1-NH1 3.31Å
45G84.1Confident89.7Confident49 Ų4952.7 Ų52.751%0.50527%0.266SS..  trans66.7-7178.400000115.2D41D41-G45 VanDerWaalsContact O-CA 3.28Å; D41-G45 WeakPolarHBondContact O-CA 3.28Å; D41-G45 PolarHBondContact O-N 3.23Å
46M83.8Confident89.6Confident94 Ų9450.7 Ų50.746%0.46326%0.258SS..  trans-72.3133.3-170.1-64.1-15979.900112.5K40 D41 T44 K48 R367K40-M46 CarbonylContact C-O 3.53Å; K40-M46 WeakPolarHBondContact CA-O 3.41Å; D41-M46 PolarHBondContact N-O 2.98Å; T44-M46 WeakPolarHBondContact O-CG 3.23Å; T44-M46 PolarHBondContact O-N 3.41Å; M46-K48 PolarHBondContact O-N 3.43Å; M46-R367 PolarHBondContact SD-NH2 2.74Å
47H92.2Very high89.5Confident12 Ų1250.4 Ų50.46%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-55.2117.7172.9-176.6-64.2000111.5I14 R16 L18 V38 G49I14-H47 WeakPolarHBondContact CG2-NE2 3.37Å; I14-H47 PolarHBondContact O-CE1 3.31Å; R16-H47 HydrophobicContact CB-CB 4.09Å; R16-H47 WeakPolarHBondContact CD-O 2.94Å; R16-H47 HydrophobicContact CG-CB 4.49Å; R16-H47 WeakPolarHBondContact CG-O 3.36Å; R16-H47 WeakPolarHBondContact O-CB 3.23Å; L18-H47 PolarHBondContact O-CD2 2.99Å; L18-H47 PolarHBondContact O-NE2 2.71Å; V38-H47 HydrophobicContact CG1-CB 4.41Å; V38-H47 WeakPolarHBondContact CG1-CD2 3.49Å; V38-H47 WeakPolarHBondContact CG1-NE2 3.42Å; H47-G49 VanDerWaalsContact C-N 3.26Å; H47-G49 VanDerWaalsContact CE1-CA 3.49Å; H47-G49 WeakPolarHBondContact CE1-CA 3.42Å; H47-G49 WeakPolarHBondContact ND1-CA 3.46Å; H47-G49 PolarHBondContact ND1-N 2.84Å; H47-G49 PolarHBondContact O-N 3.48Å
48K90.3Very high89.3Confident124 Ų12453 Ų5354%0.53926%0.263SS..EExtended strand (participates in β ladder)trans-74-12.5-174.1-62.2-168.779.5-179.50114.4I39 D41 M46I39-K48 HydrophobicContact CG2-CB 4.46Å; I39-K48 HydrophobicContact CG2-CD 3.79Å; I39-K48 HydrophobicContact CG2-CG 4.31Å; I39-K48 VanDerWaalsContact O-CB 3.3Å; I39-K48 WeakPolarHBondContact O-CB 3.34Å; I39-K48 WeakPolarHBondContact O-CG 3.33Å; I39-K48 PolarHBondContact O-N 3.47Å; D41-K48 HydrophobicContact CB-CG 4.27Å; M46-K48 PolarHBondContact O-N 3.43Å
49G91.6Very high89.2Confident16 Ų1658.5 Ų58.517%0.16529%0.288CS..EExtended strand (participates in β ladder)trans10912.618000000113.7Q13 I14 H47Q13-G49 PolarHBondContact N-O 2.71Å; I14-G49 PolarHBondContact N-O 2.69Å; I14-G49 WeakPolarHBondContact O-CA 3.43Å; H47-G49 VanDerWaalsContact C-N 3.26Å; H47-G49 VanDerWaalsContact CE1-CA 3.49Å; H47-G49 WeakPolarHBondContact CE1-CA 3.42Å; H47-G49 WeakPolarHBondContact ND1-CA 3.46Å; H47-G49 PolarHBondContact ND1-N 2.84Å; H47-G49 PolarHBondContact O-N 3.48Å
50C93.4Very high89.3Confident18 Ų1857.4 Ų57.412%0.12229%0.285CS..EExtended strand (participates in β ladder)trans-156.4161.2-172.4490000112.3F10 V11 I39F10-C50 HydrophobicContact CE1-CB 4.3Å; F10-C50 HydrophobicContact CE2-CB 3.59Å; F10-C50 HydrophobicContact CZ-CB 3.43Å; F10-C50 VanDerWaalsContact CZ-CB 3.43Å; V11-C50 CarbonylContact O-C 3.57Å; V11-C50 WeakPolarHBondContact O-CA 3.29Å; V11-C50 VanDerWaalsContact O-CB 3.27Å; V11-C50 WeakPolarHBondContact O-CB 3.21Å; I39-C50 PolarHBondContact N-O 2.89Å
51A94.3Very high89.4Confident0 Ų053.8 Ų53.80%027%0.269CS..EExtended strand (participates in β ladder)trans-136.7161175.900000110.6V11 I14 L23 L36 T37 V38V11-A51 PolarHBondContact N-O 3.49Å; V11-A51 PolarHBondContact O-N 3.03Å; I14-A51 HydrophobicContact CD1-CB 3.55Å; L23-A51 HydrophobicContact CD1-CB 4.49Å; L36-A51 HydrophobicContact CD1-CB 4.17Å; T37-A51 CarbonylContact O-C 3.57Å; T37-A51 WeakPolarHBondContact O-CA 3.26Å; T37-A51 WeakPolarHBondContact O-CB 3.28Å; V38-A51 HydrophobicContact CG2-CB 4.33Å
52F94.7Very high89.8Confident48 Ų4855.3 Ų55.321%0.21128%0.277CS..EExtended strand (participates in β ladder)trans-103142.9162.2-71.4-63.5000110.6K8 L9 F10 L36 T37 I39 A86K8-F52 VanDerWaalsContact CE-CB 3.43Å; K8-F52 HydrophobicContact CG-CB 4.47Å; K8-F52 HydrophobicContact CG-CD1 4.45Å; L9-F52 WeakPolarHBondContact O-CA 3.5Å; F10-F52 HydrophobicContact CB-CD1 4.33Å; F10-F52 HydrophobicContact CB-CE1 4.19Å; F10-F52 HydrophobicContact CD2-CD1 4.29Å; F10-F52 AromaticContact CD2-CE1 3.85Å; F10-F52 HydrophobicContact CD2-CE1 3.85Å; F10-F52 HydrophobicContact CD2-CZ 4.39Å; L36-F52 WeakPolarHBondContact CA-O 3.31Å; T37-F52 PolarHBondContact N-O 2.87Å; T37-F52 PolarHBondContact O-N 2.8Å; I39-F52 HydrophobicContact CD1-CD2 3.66Å; I39-F52 HydrophobicContact CD1-CE1 4.47Å; I39-F52 HydrophobicContact CD1-CE2 3.38Å; I39-F52 HydrophobicContact CD1-CG 4.33Å; I39-F52 HydrophobicContact CD1-CZ 3.83Å; I39-F52 HydrophobicContact CG1-CD2 3.88Å; I39-F52 HydrophobicContact CG1-CE2 4.03Å; F52-A86 HydrophobicContact CD1-CB 3.85Å; F52-A86 HydrophobicContact CE1-CB 3.72Å
53L94.1Very high90.4Very high0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-137119-176170.663.3000110.2L9 V11 F27 I33 L36 Y55L9-L53 HydrophobicContact CB-CB 4.41Å; L9-L53 WeakPolarHBondContact CB-O 3.25Å; L9-L53 HydrophobicContact CD1-CD2 4.37Å; L9-L53 PolarHBondContact N-O 2.89Å; L9-L53 PolarHBondContact O-N 3.42Å; V11-L53 HydrophobicContact CG2-CB 4Å; V11-L53 HydrophobicContact CG2-CD2 4.21Å; F27-L53 HydrophobicContact CB-CD1 4.29Å; F27-L53 HydrophobicContact CB-CD2 3.85Å; F27-L53 HydrophobicContact CD1-CD2 3.28Å; F27-L53 HydrophobicContact CD2-CD2 4.3Å; F27-L53 HydrophobicContact CE1-CD2 3.9Å; F27-L53 HydrophobicContact CG-CD2 3.54Å; I33-L53 HydrophobicContact CD1-CD1 4.08Å; I33-L53 HydrophobicContact CG1-CD1 4.02Å; I33-L53 HydrophobicContact CG2-CD1 3.91Å; L36-L53 HydrophobicContact CB-CD1 4.29Å; L36-L53 HydrophobicContact CD1-CB 4.26Å; L36-L53 HydrophobicContact CD1-CD1 4.24Å; L53-Y55 HydrophobicContact CD1-CE2 4.33Å; L53-Y55 HydrophobicContact CD2-CE2 3.6Å; L53-Y55 HydrophobicContact CG-CD2 4.29Å; L53-Y55 HydrophobicContact CG-CE2 3.85Å
54T92Very high91.2Very high0 Ų043.2 Ų43.20%023%0.227CC..EExtended strand (participates in β ladder)trans-113.7121.5174-47.90000108.2K2 K8 Y34 E35K2-T54 HydrophobicContact CD-CG2 4.37Å; K8-T54 WeakPolarHBondContact CG-OG1 3.49Å; Y34-T54 WeakPolarHBondContact CA-O 3.27Å; Y34-T54 WeakPolarHBondContact CB-O 3.08Å; Y34-T54 HydrophobicContact CD1-CG2 4.25Å; Y34-T54 PolarHBondContact N-O 3.05Å; E35-T54 PolarHBondContact N-O 2.99Å; E35-T54 PolarHBondContact O-N 2.83Å; E35-T54 PolarHBondContact OE2-OG1 3.07Å
55Y93.6Very high91.6Very high1 Ų142.7 Ų42.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-82.5161.7170.2-72.9-84.1000111.1A6 L9 F27 F30 G31 I33 L53 A57 A61 A64A6-Y55 WeakPolarHBondContact CB-O 3.42Å; L9-Y55 HydrophobicContact CD1-CD2 4.17Å; L9-Y55 HydrophobicContact CD1-CE2 3.88Å; F27-Y55 WeakPolarHBondContact CB-OH 3.23Å; F27-Y55 PolarHBondContact O-OH 2.88Å; F30-Y55 HydrophobicContact CB-CE1 4.36Å; G31-Y55 WeakPolarHBondContact O-CD1 3.21Å; G31-Y55 WeakPolarHBondContact O-CE1 3.35Å; I33-Y55 HydrophobicContact CG1-CD1 4.21Å; I33-Y55 HydrophobicContact CG1-CE1 3.94Å; L53-Y55 HydrophobicContact CD1-CE2 4.33Å; L53-Y55 HydrophobicContact CD2-CE2 3.6Å; L53-Y55 HydrophobicContact CG-CD2 4.29Å; L53-Y55 HydrophobicContact CG-CE2 3.85Å; Y55-A57 WeakPolarHBondContact CB-O 3.45Å; Y55-A57 PolarHBondContact O-N 3.2Å; Y55-A61 HydrophobicContact CD2-CB 3.85Å; Y55-A64 HydrophobicContact CE2-CB 3.57Å; Y55-A64 WeakPolarHBondContact OH-CB 3.32Å
56C89.7Confident92Very high19 Ų1945.1 Ų45.113%0.12823%0.229CC..SBendtrans-63.9-33.1169.4-71.90000112.1E3 K32E3-C56 WeakPolarHBondContact CB-O 3.38Å; E3-C56 WeakPolarHBondContact CG-O 3.06Å; E3-C56 PolarHBondContact N-O 2.6Å; K32-C56 HydrophobicContact CB-CB 4.34Å; K32-C56 PolarHBondContact O-N 2.96Å
57A90.8Very high92.5Very high21 Ų2142.8 Ų42.817%0.17423%0.225CC..SBendtrans-126147.6-173.400000113E3 Y55 E59E3-A57 VanDerWaalsContact OE1-CB 3.23Å; E3-A57 WeakPolarHBondContact OE1-CB 3.25Å; E3-A57 VanDerWaalsContact OE2-CA 3.23Å; E3-A57 WeakPolarHBondContact OE2-CA 3.42Å; E3-A57 WeakPolarHBondContact OE2-CB 3.29Å; Y55-A57 WeakPolarHBondContact CB-O 3.45Å; Y55-A57 PolarHBondContact O-N 3.2Å; A57-E59 PolarHBondContact O-N 3.16Å
58R89.1Confident92.5Very high115 Ų11542.4 Ų42.443%0.43422%0.224SC..Hα-helixtrans-62.8-41.7-179.9178.8166.3170.6-175.3-0.7113.1D5 I7 S60 A61 L62D5-R58 VanDerWaalsContact CG-CD 3.41Å; D5-R58 WeakPolarHBondContact O-CB 3.32Å; D5-R58 IonicContact OD1-NH1 2.71Å; D5-R58 PolarHBondContact OD1-NH1 2.91Å; D5-R58 WeakPolarHBondContact OD2-CD 3.48Å; D5-R58 IonicContact OD2-CZ 2.6Å; D5-R58 IonicContact OD2-NE 3.43Å; D5-R58 IonicContact OD2-NH1 3.58Å; D5-R58 PolarHBondContact OD2-NH1 2.81Å; I7-R58 HydrophobicContact CD1-CG 3.8Å; I7-R58 HydrophobicContact CG1-CG 4.16Å; R58-S60 VanDerWaalsContact C-N 3.29Å; R58-S60 PolarHBondContact O-N 3.17Å; R58-A61 WeakPolarHBondContact O-CB 3.21Å; R58-A61 PolarHBondContact O-N 3.04Å; R58-A61 VanDerWaalsContact O-N 3.08Å; R58-L62 HydrophobicContact CG-CD1 4.29Å; R58-L62 PolarHBondContact O-N 3.05Å; R58-L62 VanDerWaalsContact O-N 3.16Å
59E90.7Very high92.7Very high122 Ų12238.6 Ų38.657%0.5721%0.208SC*.Hα-helixtrans-63.1-36.4-175.3-158.4-169145.500112.1A57 A61 L62 K63A57-E59 PolarHBondContact O-N 3.16Å; E59-A61 VanDerWaalsContact C-N 3.34Å; E59-A61 PolarHBondContact O-N 3.18Å; E59-L62 PolarHBondContact O-N 3.22Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 3.32Å; E59-K63 WeakPolarHBondContact OE1-CE 3.47Å; E59-K63 IonicContact OE1-NZ 3.43Å; E59-K63 PolarHBondContact OE1-NZ 3.02Å
60S94.2Very high92.7Very high19 Ų1942.7 Ų42.713%0.13322%0.222CC..Hα-helixtrans-63-37.8173.4-63.70000112.8F30 G31 R58 A64F30-S60 WeakPolarHBondContact O-CA 3.35Å; F30-S60 WeakPolarHBondContact O-CB 3.48Å; F30-S60 PolarHBondContact O-OG 3.47Å; F30-S60 VanDerWaalsContact O-OG 3.05Å; G31-S60 WeakPolarHBondContact CA-OG 3.47Å; R58-S60 VanDerWaalsContact C-N 3.29Å; R58-S60 PolarHBondContact O-N 3.17Å; S60-A64 VanDerWaalsContact O-CB 3.29Å; S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.99Å
61A91.7Very high92.5Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-65.6-41.3176.100000111.8I7 L9 Y55 R58 E59 Q65I7-A61 HydrophobicContact CB-CB 4.06Å; I7-A61 HydrophobicContact CG2-CB 4.46Å; L9-A61 HydrophobicContact CD1-CB 3.95Å; L9-A61 HydrophobicContact CD2-CB 4.34Å; L9-A61 HydrophobicContact CG-CB 4.18Å; Y55-A61 HydrophobicContact CD2-CB 3.85Å; R58-A61 WeakPolarHBondContact O-CB 3.21Å; R58-A61 PolarHBondContact O-N 3.04Å; R58-A61 VanDerWaalsContact O-N 3.08Å; E59-A61 VanDerWaalsContact C-N 3.34Å; E59-A61 PolarHBondContact O-N 3.18Å; A61-Q65 WeakPolarHBondContact O-CB 3.49Å; A61-Q65 PolarHBondContact O-N 2.76Å
62L91.9Very high92.2Very high77 Ų7752.5 Ų52.540%0.40327%0.265SS..Hα-helixtrans-66.1-46.1175.9-63.9173.8000111.6R58 E59 A64 Q65 S66R58-L62 HydrophobicContact CG-CD1 4.29Å; R58-L62 PolarHBondContact O-N 3.05Å; R58-L62 VanDerWaalsContact O-N 3.16Å; E59-L62 PolarHBondContact O-N 3.22Å; L62-A64 PolarHBondContact O-N 2.85Å; L62-Q65 PolarHBondContact O-N 3.04Å; L62-S66 PolarHBondContact O-N 2.83Å; L62-S66 PolarHBondContact O-OG 3.27Å
63K94.3Very high92Very high107 Ų10753.8 Ų53.847%0.46528%0.277SS..Hα-helixtrans-58.3-45.6175.4-74.2172.9-177.9170.50112F30 E59 Q65 S66 A67F30-K63 HydrophobicContact CD1-CB 4.46Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 3.32Å; E59-K63 WeakPolarHBondContact OE1-CE 3.47Å; E59-K63 IonicContact OE1-NZ 3.43Å; E59-K63 PolarHBondContact OE1-NZ 3.02Å; K63-Q65 VanDerWaalsContact C-N 3.34Å; K63-Q65 PolarHBondContact O-N 2.86Å; K63-S66 PolarHBondContact O-N 3.27Å; K63-A67 VanDerWaalsContact O-CB 3.25Å; K63-A67 WeakPolarHBondContact O-CB 3.33Å; K63-A67 PolarHBondContact O-N 2.82Å
64A94.3Very high91.7Very high0 Ų054.1 Ų54.10%028%0.279CS..Hα-helixtrans-63.8-38.1176.300000112.6L9 F30 Y55 S60 L62 L68L9-A64 HydrophobicContact CD1-CB 4.46Å; F30-A64 HydrophobicContact CB-CB 3.82Å; F30-A64 HydrophobicContact CD2-CB 3.92Å; F30-A64 HydrophobicContact CG-CB 3.85Å; Y55-A64 HydrophobicContact CE2-CB 3.57Å; Y55-A64 WeakPolarHBondContact OH-CB 3.32Å; S60-A64 VanDerWaalsContact O-CB 3.29Å; S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.99Å; L62-A64 PolarHBondContact O-N 2.85Å; A64-L68 VanDerWaalsContact O-CB 3.28Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 WeakPolarHBondContact O-CG 3.48Å; A64-L68 PolarHBondContact O-N 2.9Å; A64-L68 VanDerWaalsContact O-N 3.15Å
65Q93.3Very high91.4Very high54 Ų5459.5 Ų59.525%0.25231%0.314SS..Hα-helixtrans-63.2-55.7174.6-174.5177.9-7.200110.8A61 L62 K63 A67 L68 H69 V83A61-Q65 WeakPolarHBondContact O-CB 3.49Å; A61-Q65 PolarHBondContact O-N 2.76Å; L62-Q65 PolarHBondContact O-N 3.04Å; K63-Q65 VanDerWaalsContact C-N 3.34Å; K63-Q65 PolarHBondContact O-N 2.86Å; Q65-A67 VanDerWaalsContact C-N 3.29Å; Q65-A67 PolarHBondContact O-N 2.83Å; Q65-L68 PolarHBondContact O-N 2.79Å; Q65-H69 HydrophobicContact CG-CB 4.34Å; Q65-H69 WeakPolarHBondContact O-CB 3.12Å; Q65-H69 PolarHBondContact O-N 2.92Å; Q65-V83 HydrophobicContact CB-CG1 4.12Å; Q65-V83 HydrophobicContact CG-CG1 4.39Å
66S92.4Very high91Very high100 Ų10063.1 Ų63.170%0.69935%0.351SS*.Hα-helixtrans-61-34.2-177.8-61.90000113.8L62 K63L62-S66 PolarHBondContact O-N 2.83Å; L62-S66 PolarHBondContact O-OG 3.27Å; K63-S66 PolarHBondContact O-N 3.27Å
67A93.3Very high90.9Very high46 Ų4664.4 Ų64.438%0.3836%0.356SS..Hα-helixtrans-90.3-14.4-175.600000115F30 K63 Q65F30-A67 HydrophobicContact CD1-CB 4.19Å; F30-A67 HydrophobicContact CE1-CB 3.31Å; F30-A67 HydrophobicContact CZ-CB 3.72Å; K63-A67 VanDerWaalsContact O-CB 3.25Å; K63-A67 WeakPolarHBondContact O-CB 3.33Å; K63-A67 PolarHBondContact O-N 2.82Å; Q65-A67 VanDerWaalsContact C-N 3.29Å; Q65-A67 PolarHBondContact O-N 2.83Å
68L93.2Very high90.7Very high3 Ų371.1 Ų71.12%0.01639%0.389CS..Hα-helixtrans-120.2-27.9-178.8-61.5178.3000114.1F27 F30 A64 Q65 E70 Q71 K72 V83F27-L68 HydrophobicContact CD1-CD1 3.54Å; F27-L68 HydrophobicContact CE1-CD1 3.24Å; F27-L68 HydrophobicContact CZ-CD1 4.19Å; F30-L68 HydrophobicContact CD2-CD1 4.23Å; F30-L68 HydrophobicContact CE2-CD1 3.61Å; F30-L68 HydrophobicContact CE2-CD2 3.91Å; F30-L68 HydrophobicContact CE2-CG 3.69Å; F30-L68 HydrophobicContact CZ-CD1 4.32Å; F30-L68 HydrophobicContact CZ-CD2 3.93Å; F30-L68 HydrophobicContact CZ-CG 3.88Å; A64-L68 VanDerWaalsContact O-CB 3.28Å; A64-L68 WeakPolarHBondContact O-CB 3.45Å; A64-L68 WeakPolarHBondContact O-CG 3.48Å; A64-L68 PolarHBondContact O-N 2.9Å; A64-L68 VanDerWaalsContact O-N 3.15Å; Q65-L68 PolarHBondContact O-N 2.79Å; L68-E70 PolarHBondContact O-N 3.26Å; L68-Q71 PolarHBondContact O-N 2.92Å; L68-K72 HydrophobicContact CD2-CB 4.13Å; L68-K72 HydrophobicContact CD2-CD 3.74Å; L68-V83 HydrophobicContact CB-CG2 3.72Å; L68-V83 HydrophobicContact CD1-CG2 4.3Å
69H93.2Very high90.8Very high45 Ų4573.3 Ų73.321%0.20840%0.397CS..THydrogen-bonded Turntrans-62.4108.2-176.6-173.776.1000111.1Q65 Q71 V83 K84Q65-H69 HydrophobicContact CG-CB 4.34Å; Q65-H69 WeakPolarHBondContact O-CB 3.12Å; Q65-H69 PolarHBondContact O-N 2.92Å; H69-Q71 PolarHBondContact O-N 3.48Å; H69-V83 HydrophobicContact CB-CB 4.41Å; H69-V83 PolarHBondContact ND1-N 3.14Å; H69-V83 PolarHBondContact ND1-O 3.39Å; H69-K84 VanDerWaalsContact CE1-CE 3.49Å; H69-K84 WeakPolarHBondContact CE1-CE 3.4Å
70E92Very high90.8Very high101 Ų10169.2 Ų69.247%0.47238%0.381SS..THydrogen-bonded Turntrans61.66.8-178.6-56.2-171156.200114.8L68 P80 I81 Q82L68-E70 PolarHBondContact O-N 3.26Å; E70-P80 HydrophobicContact CB-CG 4.01Å; E70-P80 HydrophobicContact CG-CG 4.32Å; E70-I81 PolarHBondContact N-O 3.47Å; E70-Q82 HydrophobicContact CG-CG 4.15Å; E70-Q82 PolarHBondContact OE1-NE2 3.01Å
71Q89.9Confident90.8Very high143 Ų14368.3 Ų68.367%0.66838%0.375SS*.THydrogen-bonded Turntrans-91.4-32.6178.4-60.5-54.4-44.300114.3L68 H69L68-Q71 PolarHBondContact O-N 2.92Å; H69-Q71 PolarHBondContact O-N 3.48Å
72K87.2Confident90.8Very high81 Ų8170.8 Ų70.835%0.35239%0.386SS..  trans-126.2123.8-169.9-171.9173-174.1173.20111.3L68 P80 I81L68-K72 HydrophobicContact CD2-CB 4.13Å; L68-K72 HydrophobicContact CD2-CD 3.74Å; K72-P80 CarbonylContact O-C 3.58Å; K72-P80 WeakPolarHBondContact O-CA 3.49Å; K72-I81 HydrophobicContact CB-CD1 4.28Å; K72-I81 HydrophobicContact CG-CD1 4.38Å; K72-I81 VanDerWaalsContact O-CG1 3.27Å; K72-I81 WeakPolarHBondContact O-CG1 3.38Å; K72-I81 PolarHBondContact O-N 3.11Å
73T90.7Very high90.9Very high76 Ų7667.1 Ų67.147%0.46637%0.367SS..PPolyproline II helixtrans-95.7133.3173-58.30000110.3M77 P80T73-M77 HydrophobicContact CG2-CB 4.13Å; T73-M77 VanDerWaalsContact CG2-O 3.25Å; T73-M77 WeakPolarHBondContact CG2-O 3.19Å; T73-P80 WeakPolarHBondContact OG1-CA 3.47Å
74L89.4Confident90.8Very high7 Ų767 Ų674%0.03737%0.367CS..PPolyproline II helixtrans-84.5148.3175.6-69.5171.2000110.9I14 P15 L18 L23 I26 G76 M77 I81I14-L74 HydrophobicContact CG1-CD1 4.42Å; P15-L74 HydrophobicContact CG-CB 3.76Å; P15-L74 HydrophobicContact CG-CD1 4.42Å; L18-L74 HydrophobicContact CD1-CD1 4.43Å; L23-L74 HydrophobicContact CD2-CD1 4.49Å; I26-L74 HydrophobicContact CD1-CD2 3.94Å; L74-G76 PolarHBondContact O-N 2.73Å; L74-M77 HydrophobicContact CB-CG 4.18Å; L74-M77 WeakPolarHBondContact O-CB 3.36Å; L74-M77 PolarHBondContact O-N 2.69Å; L74-I81 HydrophobicContact CD1-CD1 3.94Å; L74-I81 HydrophobicContact CD1-CG1 3.79Å; L74-I81 HydrophobicContact CD2-CD1 4.03Å; L74-I81 HydrophobicContact CG-CD1 3.75Å; L74-I81 HydrophobicContact CG-CG1 3.75Å
75P85.7Confident90.5Very high113 Ų11370.6 Ų70.673%0.73439%0.39SS*.THydrogen-bonded Turntrans-52.8129.8177.9-26.935.3000112.2P15P15-P75 VanDerWaalsContact CG-O 3.28Å; P15-P75 WeakPolarHBondContact CG-O 3.37Å
76G83.4Confident90Very high76 Ų7668.6 Ų68.678%0.78438%0.383SS*.THydrogen-bonded Turntrans85.4-4.2-176.700000115.8L74L74-G76 PolarHBondContact O-N 2.73Å
77M88.6Confident88.7Confident46 Ų4669.8 Ų69.823%0.22738%0.381CS..  trans-94.8142.9174.3-61.1-56.8-6000112.3Q13 P15 T73 L74Q13-M77 HydrophobicContact CB-CE 4.03Å; P15-M77 HydrophobicContact CB-SD 4.31Å; P15-M77 HydrophobicContact CG-CG 3.8Å; P15-M77 HydrophobicContact CG-SD 4.16Å; T73-M77 HydrophobicContact CG2-CB 4.13Å; T73-M77 VanDerWaalsContact CG2-O 3.25Å; T73-M77 WeakPolarHBondContact CG2-O 3.19Å; L74-M77 HydrophobicContact CB-CG 4.18Å; L74-M77 WeakPolarHBondContact O-CB 3.36Å; L74-M77 PolarHBondContact O-N 2.69Å
78N86.9Confident87.1Confident163 Ų16370 Ų7087%0.87238%0.38SS*.SBendtrans-95.17.3174.7-72.5-91.6000112.8
79R90.9Very high85.1Confident161 Ų16177.6 Ų77.661%0.60842%0.416SS*.SBendtrans-145.9149.3177.5-70.5-168.8176.5-166.2-2.6110.1Q13Q13-R79 HydrophobicContact CG-CB 4.08Å
80P90.6Very high83.1Confident35 Ų3578.6 Ų78.623%0.22744%0.438CS..  trans-69.3160.317731.2-37.4000112.5Q13 E70 K72 T73 Q82Q13-P80 WeakPolarHBondContact CB-O 3.32Å; Q13-P80 WeakPolarHBondContact CG-O 3.23Å; E70-P80 HydrophobicContact CB-CG 4.01Å; E70-P80 HydrophobicContact CG-CG 4.32Å; K72-P80 CarbonylContact O-C 3.58Å; K72-P80 WeakPolarHBondContact O-CA 3.49Å; T73-P80 WeakPolarHBondContact OG1-CA 3.47Å; P80-Q82 PolarHBondContact O-N 3.28Å
81I93.4Very high81.2Confident0 Ų081.9 Ų81.90%045%0.446CS..  trans-56.1131.3177.1-59.8164.4000109.4V11 E70 K72 L74 V83V11-I81 HydrophobicContact CG1-CG2 3.59Å; E70-I81 PolarHBondContact N-O 3.47Å; K72-I81 HydrophobicContact CB-CD1 4.28Å; K72-I81 HydrophobicContact CG-CD1 4.38Å; K72-I81 VanDerWaalsContact O-CG1 3.27Å; K72-I81 WeakPolarHBondContact O-CG1 3.38Å; K72-I81 PolarHBondContact O-N 3.11Å; L74-I81 HydrophobicContact CD1-CD1 3.94Å; L74-I81 HydrophobicContact CD1-CG1 3.79Å; L74-I81 HydrophobicContact CD2-CD1 4.03Å; L74-I81 HydrophobicContact CG-CD1 3.75Å; L74-I81 HydrophobicContact CG-CG1 3.75Å; I81-V83 HydrophobicContact CG2-CG2 3.68Å
82Q92.3Very high79.5Confident52 Ų5275.9 Ų75.924%0.24342%0.423CS..EExtended strand (participates in β ladder)trans-104.888.2174.4-72.9-173.2-36.600110.3G12 Q13 E70 P80G12-Q82 PolarHBondContact N-O 3.22Å; G12-Q82 PolarHBondContact O-N 3Å; Q13-Q82 HydrophobicContact CG-CG 4.28Å; E70-Q82 HydrophobicContact CG-CG 4.15Å; E70-Q82 PolarHBondContact OE1-NE2 3.01Å; P80-Q82 PolarHBondContact O-N 3.28Å
83V94.1Very high78.3Confident0 Ų076.2 Ų76.20%043%0.426CS..EExtended strand (participates in β ladder)trans-82.7117.1171.3-174.80000109.7L9 F10 V11 F27 Q65 L68 H69 I81L9-V83 HydrophobicContact CB-CG1 4.25Å; L9-V83 HydrophobicContact CD1-CG1 3.79Å; L9-V83 HydrophobicContact CD2-CG1 4.29Å; L9-V83 HydrophobicContact CG-CG1 4.35Å; F10-V83 CarbonylContact O-C 3.49Å; F10-V83 WeakPolarHBondContact O-CA 3.31Å; V11-V83 HydrophobicContact CG1-CG2 4.39Å; V11-V83 HydrophobicContact CG2-CG2 4.43Å; F27-V83 HydrophobicContact CE1-CG2 4.44Å; Q65-V83 HydrophobicContact CB-CG1 4.12Å; Q65-V83 HydrophobicContact CG-CG1 4.39Å; L68-V83 HydrophobicContact CB-CG2 3.72Å; L68-V83 HydrophobicContact CD1-CG2 4.3Å; H69-V83 HydrophobicContact CB-CB 4.41Å; H69-V83 PolarHBondContact ND1-N 3.14Å; H69-V83 PolarHBondContact ND1-O 3.39Å; I81-V83 HydrophobicContact CG2-CG2 3.68Å
84K91.9Very high77.5Confident104 Ų10476.2 Ų76.245%0.45242%0.423SS..EExtended strand (participates in β ladder)trans-131.6160.8174.1-66.1-169.7178.2-1720109.5L9 F10 H69 A86L9-K84 CarbonylContact C-O 3.59Å; L9-K84 VanDerWaalsContact CA-O 3.26Å; L9-K84 WeakPolarHBondContact CA-O 3.27Å; F10-K84 PolarHBondContact N-O 3.01Å; F10-K84 PolarHBondContact O-N 2.78Å; H69-K84 VanDerWaalsContact CE1-CE 3.49Å; H69-K84 WeakPolarHBondContact CE1-CE 3.4Å; K84-A86 PolarHBondContact O-N 3.45Å
85P88.3Confident77.4Confident76 Ų7677.5 Ų77.549%0.49443%0.427SS..EExtended strand (participates in β ladder)trans-51.2132.8161.6-23.534.7000109.1D87P85-D87 PolarHBondContact O-N 2.75Å
86A82.8Confident77.7Confident13 Ų1374.5 Ų74.511%0.10740%0.403CS..PPolyproline II helixtrans-71.4116.7172.600000107.9K8 F10 F52 K84 S88K8-A86 HydrophobicContact CB-CB 4.24Å; K8-A86 HydrophobicContact CG-CB 4.02Å; K8-A86 WeakPolarHBondContact O-CB 3.42Å; K8-A86 PolarHBondContact O-N 3.29Å; F10-A86 HydrophobicContact CB-CB 4.26Å; F52-A86 HydrophobicContact CD1-CB 3.85Å; F52-A86 HydrophobicContact CE1-CB 3.72Å; K84-A86 PolarHBondContact O-N 3.45Å; A86-S88 PolarHBondContact O-N 2.92Å
87D65.6Low78.1Confident124 Ų12470.9 Ų70.966%0.66337%0.365SS*.PPolyproline II helixtrans-59129.7161.7-158.2-21000107.5P85 E89P85-D87 PolarHBondContact O-N 2.75Å; D87-E89 VanDerWaalsContact C-N 3.29Å; D87-E89 PolarHBondContact O-N 3.04Å
88S58.5Low78.4Confident51 Ų5171.1 Ų71.136%0.35737%0.365SS..  trans-8777.5-173.1-67.50000108.3A86 G90 R91 G92A86-S88 PolarHBondContact O-N 2.92Å; S88-G90 PolarHBondContact O-N 3.19Å; S88-G90 VanDerWaalsContact O-N 3.15Å; S88-R91 CarbonylContact O-C 3.49Å; S88-R91 WeakPolarHBondContact O-CA 3.32Å; S88-R91 PolarHBondContact O-N 2.75Å; S88-G92 PolarHBondContact O-N 3.37Å; S88-G92 VanDerWaalsContact O-N 3.15Å
89E51.6Low78.8Confident162 Ų16263.3 Ų63.376%0.75732%0.324SS*.G310 helixtrans-48.4-42.8178.3-72.8-177.399.100111.1D87 R91 G92D87-E89 VanDerWaalsContact C-N 3.29Å; D87-E89 PolarHBondContact O-N 3.04Å; E89-R91 PolarHBondContact O-N 2.97Å; E89-G92 PolarHBondContact O-N 3.31Å
90G51.3Low78.8Confident66 Ų6655.9 Ų55.968%0.6830%0.297SS*.G310 helixtrans-80.120.817400000116.5S88S88-G90 PolarHBondContact O-N 3.19Å; S88-G90 VanDerWaalsContact O-N 3.15Å
91R53.1Low78.9Confident170 Ų17058.3 Ų58.364%0.64231%0.306SS*.G310 helixtrans-144.613.1170.6-64.5-174.5172.4-170.2-4.9112.7S88 E89 R95S88-R91 CarbonylContact O-C 3.49Å; S88-R91 WeakPolarHBondContact O-CA 3.32Å; S88-R91 PolarHBondContact O-N 2.75Å; E89-R91 PolarHBondContact O-N 2.97Å; R91-R95 PolarHBondContact O-NE 2.72Å
92G54.2Low78.7Confident18 Ų1858.6 Ų58.619%0.18631%0.308CS..SBendtrans-76-32.5170.200000111.8S88 E89 K96S88-G92 PolarHBondContact O-N 3.37Å; S88-G92 VanDerWaalsContact O-N 3.15Å; E89-G92 PolarHBondContact O-N 3.31Å; G92-K96 PolarHBondContact O-N 2.77Å
93E61.6Low78.5Confident87 Ų8756.1 Ų56.141%0.40730%0.296SS..G310 helixtrans-79.5-41.1-172.5-57.9-178.6123.600110.9R95 K96 T175E93-R95 PolarHBondContact O-N 3.43Å; E93-K96 PolarHBondContact O-N 2.66Å; E93-T175 HydrophobicContact CB-CG2 4.27Å; E93-T175 HydrophobicContact CG-CG2 4.28Å; E93-T175 WeakPolarHBondContact OE1-CA 3.48Å; E93-T175 WeakPolarHBondContact OE1-CB 3.36Å; E93-T175 VanDerWaalsContact OE1-CG2 3.25Å; E93-T175 WeakPolarHBondContact OE1-CG2 3.3Å; E93-T175 VanDerWaalsContact OE2-CG2 3.27Å; E93-T175 WeakPolarHBondContact OE2-CG2 3.45Å
94D72.6Confident78.2Confident77 Ų7762.6 Ų62.641%0.41232%0.324SS..G310 helixtrans-60.7-4.5171.5-47.4-42.3000114.8H145 F172D94-H145 PolarHBondContact O-ND1 2.62Å; D94-F172 WeakPolarHBondContact O-CE1 3.35Å
95R87.6Confident78Confident33 Ų3364.1 Ų64.113%0.12533%0.333CS..G310 helixtrans-118.6-8.9179.8-62.3-172.3-66.4125.5-11.1113.4R91 E93 E122 K141 Y142 Q143 H145R91-R95 PolarHBondContact O-NE 2.72Å; E93-R95 PolarHBondContact O-N 3.43Å; R95-E122 IonicContact CZ-OE2 2.8Å; R95-E122 IonicContact NH1-OE2 2.68Å; R95-E122 PolarHBondContact NH1-OE2 3.2Å; R95-E122 IonicContact NH2-OE2 3.75Å; R95-K141 WeakPolarHBondContact O-CA 3.34Å; R95-Y142 WeakPolarHBondContact CB-O 3.25Å; R95-Y142 PolarHBondContact NH1-O 2.79Å; R95-Y142 PolarHBondContact O-N 2.85Å; R95-Q143 VanDerWaalsContact CD-O 3.32Å; R95-Q143 WeakPolarHBondContact CD-O 3.27Å; R95-Q143 PolarHBondContact NH1-O 2.8Å; R95-H145 HydrophobicContact CG-CB 4.3Å
96K91.9Very high78Confident50 Ų5061.8 Ų61.822%0.21732%0.316CS..EExtended strand (participates in β ladder)trans-101118.5-179.8-165.1159.5-172.6161.70109.6G92 E93 E123 F139 K141 A173G92-K96 PolarHBondContact O-N 2.77Å; E93-K96 PolarHBondContact O-N 2.66Å; K96-E123 IonicContact NZ-OE1 2.65Å; K96-E123 PolarHBondContact NZ-OE1 2.9Å; K96-E123 IonicContact NZ-OE2 2.89Å; K96-E123 PolarHBondContact NZ-OE2 3.46Å; K96-F139 HydrophobicContact CG-CB 4.47Å; K96-K141 HydrophobicContact CB-CG 4.39Å; K96-K141 HydrophobicContact CG-CB 4.34Å; K96-A173 HydrophobicContact CB-CB 4.33Å; K96-A173 HydrophobicContact CG-CB 4.2Å; K96-A173 WeakPolarHBondContact O-CB 3.38Å; K96-A173 PolarHBondContact O-N 2.96Å
97L93.6Very high78.4Confident0 Ų063.1 Ų63.10%032%0.324CS..EExtended strand (participates in β ladder)trans-96138.5177.5-57.7-174.4000110.5F115 F139 V140 Y142 A148 A151 I152 V170 K171 F172L97-F115 HydrophobicContact CD1-CD1 4.44Å; L97-F115 HydrophobicContact CD1-CE1 4.04Å; L97-F139 VanDerWaalsContact O-CA 3.26Å; L97-F139 WeakPolarHBondContact O-CA 3.48Å; L97-V140 PolarHBondContact N-O 3.17Å; L97-V140 PolarHBondContact O-N 3.16Å; L97-Y142 HydrophobicContact CD1-CD2 4.18Å; L97-Y142 HydrophobicContact CD1-CE2 3.72Å; L97-Y142 HydrophobicContact CG-CD2 4.49Å; L97-Y142 HydrophobicContact CG-CE2 4.47Å; L97-A148 HydrophobicContact CD1-CB 4.4Å; L97-A148 HydrophobicContact CD2-CB 3.99Å; L97-A148 HydrophobicContact CG-CB 4.19Å; L97-A151 HydrophobicContact CD1-CB 3.92Å; L97-I152 HydrophobicContact CD1-CG1 4.23Å; L97-I152 HydrophobicContact CD2-CD1 3.59Å; L97-I152 HydrophobicContact CD2-CG1 3.69Å; L97-V170 HydrophobicContact CB-CG1 4.47Å; L97-V170 HydrophobicContact CD1-CG1 3.79Å; L97-K171 CarbonylContact C-O 3.47Å; L97-K171 WeakPolarHBondContact CA-O 3.41Å; L97-F172 HydrophobicContact CD2-CD1 3.7Å; L97-F172 HydrophobicContact CD2-CE1 3.88Å; L97-F172 HydrophobicContact CD2-CG 4.42Å
98F94.7Very high79.7Confident51 Ų5159.8 Ų59.822%0.22431%0.306CS..EExtended strand (participates in β ladder)trans-89129.6158.3174-94.8000109.1C137 F139 K171 A173F98-C137 HydrophobicContact CE2-CB 3.62Å; F98-C137 HydrophobicContact CZ-CB 3.61Å; F98-F139 HydrophobicContact CB-CD1 4.26Å; F98-F139 HydrophobicContact CB-CE1 4.07Å; F98-F139 HydrophobicContact CD2-CD1 4.36Å; F98-F139 AromaticContact CD2-CE1 3.85Å; F98-F139 HydrophobicContact CD2-CE1 3.85Å; F98-F139 HydrophobicContact CD2-CZ 4.37Å; F98-F139 HydrophobicContact CG-CE1 4.47Å; F98-K171 HydrophobicContact CB-CG 4.31Å; F98-K171 HydrophobicContact CD1-CG 4.25Å; F98-K171 PolarHBondContact N-O 3.3Å; F98-K171 PolarHBondContact O-N 2.87Å; F98-A173 HydrophobicContact CB-CB 4.36Å
99V93.9Very high81.4Confident0 Ų061.3 Ų61.30%031%0.308CS..EExtended strand (participates in β ladder)trans-116.198.6179.2-174.50000107.6L102 F115 C137 A138 V140 V170V99-L102 HydrophobicContact CB-CD1 4.41Å; V99-L102 HydrophobicContact CG1-CD1 4Å; V99-L102 HydrophobicContact CG1-CD2 4Å; V99-L102 HydrophobicContact CG1-CG 3.96Å; V99-F115 HydrophobicContact CB-CZ 4.2Å; V99-F115 HydrophobicContact CG1-CE2 3.98Å; V99-F115 HydrophobicContact CG1-CZ 3.74Å; V99-F115 HydrophobicContact CG2-CE1 3.67Å; V99-F115 HydrophobicContact CG2-CE2 4.05Å; V99-F115 HydrophobicContact CG2-CZ 3.33Å; V99-C137 CarbonylContact O-C 3.59Å; V99-C137 WeakPolarHBondContact O-CA 3.48Å; V99-C137 WeakPolarHBondContact O-CB 3.36Å; V99-A138 HydrophobicContact CB-CB 4.36Å; V99-A138 PolarHBondContact N-O 2.77Å; V99-A138 PolarHBondContact O-N 3.15Å; V99-V140 HydrophobicContact CG2-CG2 3.92Å; V99-V170 HydrophobicContact CG1-CG2 4.35Å
100G92.3Very high83.3Confident4 Ų456.8 Ų56.84%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-94.3166.6176.500000113.3L102 V169G100-L102 VanDerWaalsContact C-N 3.31Å; G100-L102 PolarHBondContact O-N 2.87Å; G100-V169 PolarHBondContact N-O 2.95Å; G100-V169 PolarHBondContact O-N 2.95Å
101M91.6Very high85.3Confident87 Ų8753.7 Ų53.743%0.42926%0.256SS..SBendtrans60.836-180-49.4-54.517600113.9G136 A164 S167 V169M101-G136 PolarHBondContact N-O 3.15Å; M101-A164 VanDerWaalsContact O-CB 3.24Å; M101-A164 WeakPolarHBondContact O-CB 3.16Å; M101-S167 WeakPolarHBondContact CB-O 3.35Å; M101-V169 HydrophobicContact CB-CG2 4.49Å; M101-V169 HydrophobicContact CG-CB 4.45Å; M101-V169 HydrophobicContact CG-CG2 3.72Å
102L89.9Confident87.2Confident5 Ų551.2 Ų51.23%0.02625%0.247CC..  trans-74.1145.1165.2-69.4167.7000110.3V99 G100 V111 G136 A138 L168V99-L102 HydrophobicContact CB-CD1 4.41Å; V99-L102 HydrophobicContact CG1-CD1 4Å; V99-L102 HydrophobicContact CG1-CD2 4Å; V99-L102 HydrophobicContact CG1-CG 3.96Å; G100-L102 VanDerWaalsContact C-N 3.31Å; G100-L102 PolarHBondContact O-N 2.87Å; L102-V111 HydrophobicContact CD1-CG2 3.63Å; L102-V111 HydrophobicContact CD2-CG2 3.97Å; L102-V111 HydrophobicContact CG-CG2 4.47Å; L102-G136 PolarHBondContact N-O 3.02Å; L102-G136 WeakPolarHBondContact O-CA 3.33Å; L102-A138 HydrophobicContact CD1-CB 3.52Å; L102-L168 HydrophobicContact CD2-CD2 3.66Å; L102-L168 HydrophobicContact CG-CD2 4.29Å
103G87.5Confident89.1Confident0 Ų057.7 Ų57.70%027%0.266CS..  trans-63.9139.3169.900000110.5Q105 Q106G103-Q105 PolarHBondContact O-N 3.01Å; G103-Q105 VanDerWaalsContact O-N 3.08Å; G103-Q106 WeakPolarHBondContact O-CB 3.35Å; G103-Q106 VanDerWaalsContact O-CG 3.32Å; G103-Q106 WeakPolarHBondContact O-CG 3.27Å; G103-Q106 PolarHBondContact O-N 3.44Å
104K87.2Confident90.6Very high137 Ų13754.4 Ų54.460%0.59625%0.251SS*.THydrogen-bonded Turntrans-63.2-20.2-173-65.6-172.9-179.3-179.70114.3Q106 S134K104-Q106 VanDerWaalsContact C-N 3.34Å; K104-S134 WeakPolarHBondContact O-CB 3.38Å
105Q87.8Confident91.6Very high136 Ų13650.7 Ų50.764%0.63623%0.231SC*.THydrogen-bonded Turntrans-81.4-3.3174.364.3-132.766.800114.8G103G103-Q105 PolarHBondContact O-N 3.01Å; G103-Q105 VanDerWaalsContact O-N 3.08Å
106Q88.4Confident92Very high27 Ų2754.5 Ų54.513%0.12625%0.251CS..  trans-71.5133.4178.9-66.5-71.3-91.900111.9G103 K104 M161G103-Q106 WeakPolarHBondContact O-CB 3.35Å; G103-Q106 VanDerWaalsContact O-CG 3.32Å; G103-Q106 WeakPolarHBondContact O-CG 3.27Å; G103-Q106 PolarHBondContact O-N 3.44Å; K104-Q106 VanDerWaalsContact C-N 3.34Å; Q106-M161 HydrophobicContact CG-CE 4.45Å
107S92.4Very high92.2Very high40 Ų4056.7 Ų56.728%0.2827%0.27SS..  trans-90.7164.8170.2740000111.9E109 D110 V111S107-E109 PolarHBondContact O-N 2.85Å; S107-E109 PolarHBondContact OG-N 2.8Å; S107-D110 WeakPolarHBondContact CA-OD2 3.41Å; S107-D110 VanDerWaalsContact CB-OD2 3.27Å; S107-D110 WeakPolarHBondContact CB-OD2 3.37Å; S107-D110 PolarHBondContact N-OD2 3.07Å; S107-D110 PolarHBondContact O-N 2.89Å; S107-D110 VanDerWaalsContact O-N 3.16Å; S107-D110 PolarHBondContact OG-N 2.86Å; S107-D110 VanDerWaalsContact OG-N 3.16Å; S107-D110 PolarHBondContact OG-OD2 3.11Å; S107-V111 WeakPolarHBondContact O-CG2 3.42Å; S107-V111 PolarHBondContact O-N 3.24Å; S107-V111 VanDerWaalsContact O-N 3.07Å
108D92.7Very high92.2Very high55 Ų5559.3 Ų59.329%0.29428%0.281SS..Hα-helixtrans-60.2-31176.5-52.5-109.3000111.5R112 C124 V126 R128D108-R112 WeakPolarHBondContact O-CB 3.32Å; D108-R112 PolarHBondContact O-N 3.45Å; D108-C124 PolarHBondContact O-SG 2.92Å; D108-V126 HydrophobicContact CB-CG2 4.34Å; D108-V126 WeakPolarHBondContact OD1-CB 3.42Å; D108-V126 PolarHBondContact OD1-N 3.15Å; D108-R128 IonicContact OD2-CZ 2.62Å; D108-R128 IonicContact OD2-NE 3.05Å; D108-R128 IonicContact OD2-NH2 2.72Å; D108-R128 PolarHBondContact OD2-NH2 3Å
109E93.1Very high92Very high83 Ų8357.8 Ų57.839%0.38828%0.28SS..Hα-helixtrans-77.3-36.8174.7-178.367.2-17300112.3S107 R112 R113S107-E109 PolarHBondContact O-N 2.85Å; S107-E109 PolarHBondContact OG-N 2.8Å; E109-R112 WeakPolarHBondContact O-CB 3.45Å; E109-R112 PolarHBondContact O-N 3.3Å; E109-R113 WeakPolarHBondContact O-CG 3.45Å; E109-R113 PolarHBondContact O-N 3.43Å; E109-R113 IonicContact OE1-CZ 2.71Å; E109-R113 IonicContact OE1-NE 2.69Å; E109-R113 PolarHBondContact OE1-NE 3.43Å; E109-R113 IonicContact OE1-NH2 3.26Å; E109-R113 PolarHBondContact OE1-NH2 2.9Å
110D91.7Very high91.9Very high67 Ų6760.8 Ų60.836%0.35830%0.301SS..Hα-helixtrans-63.7-42.7173.4-60.4-61.7000111.3S107 R112 R113 L114S107-D110 WeakPolarHBondContact CA-OD2 3.41Å; S107-D110 VanDerWaalsContact CB-OD2 3.27Å; S107-D110 WeakPolarHBondContact CB-OD2 3.37Å; S107-D110 PolarHBondContact N-OD2 3.07Å; S107-D110 PolarHBondContact O-N 2.89Å; S107-D110 VanDerWaalsContact O-N 3.16Å; S107-D110 PolarHBondContact OG-N 2.86Å; S107-D110 VanDerWaalsContact OG-N 3.16Å; S107-D110 PolarHBondContact OG-OD2 3.11Å; D110-R112 VanDerWaalsContact C-N 3.33Å; D110-R113 PolarHBondContact O-N 2.95Å; D110-L114 PolarHBondContact O-N 3.39Å; D110-L114 VanDerWaalsContact O-N 3.15Å
111V92.9Very high92Very high0 Ų061.8 Ų61.80%031%0.305CS..Hα-helixtrans-65.1-40.3174.91790000110.3L102 S107 L114 F115 V126 A138 V140L102-V111 HydrophobicContact CD1-CG2 3.63Å; L102-V111 HydrophobicContact CD2-CG2 3.97Å; L102-V111 HydrophobicContact CG-CG2 4.47Å; S107-V111 WeakPolarHBondContact O-CG2 3.42Å; S107-V111 PolarHBondContact O-N 3.24Å; S107-V111 VanDerWaalsContact O-N 3.07Å; V111-L114 PolarHBondContact O-N 2.92Å; V111-F115 HydrophobicContact CG1-CD2 4.16Å; V111-F115 HydrophobicContact CG1-CE2 4.32Å; V111-F115 VanDerWaalsContact O-CD2 3.27Å; V111-F115 WeakPolarHBondContact O-CD2 3.3Å; V111-F115 PolarHBondContact O-N 3.28Å; V111-V126 HydrophobicContact CG2-CG2 3.91Å; V111-A138 HydrophobicContact CG1-CB 4.11Å; V111-A138 HydrophobicContact CG2-CB 4.38Å; V111-V140 HydrophobicContact CG1-CG2 3.74Å
112R94.8Very high91.9Very high118 Ų11862.3 Ų62.345%0.44531%0.307SS..Hα-helixtrans-58.8-49.4176.1-166.9-177-165.8168.86.9111.7D108 E109 D110 L114 F115 E116 I121 C124D108-R112 WeakPolarHBondContact O-CB 3.32Å; D108-R112 PolarHBondContact O-N 3.45Å; E109-R112 WeakPolarHBondContact O-CB 3.45Å; E109-R112 PolarHBondContact O-N 3.3Å; D110-R112 VanDerWaalsContact C-N 3.33Å; R112-L114 PolarHBondContact O-N 3.15Å; R112-F115 PolarHBondContact O-N 3.28Å; R112-E116 PolarHBondContact O-N 2.96Å; R112-I121 HydrophobicContact CB-CD1 4.48Å; R112-I121 HydrophobicContact CG-CD1 3.75Å; R112-I121 WeakPolarHBondContact O-CD1 3.32Å; R112-C124 HydrophobicContact CB-CB 4.44Å
113R93.7Very high91.9Very high154 Ų15465 Ų6558%0.58132%0.319SS*.Hα-helixtrans-65.1-23.7179.5-70.5172.8-173.8-144.9-0.5114.3E109 D110E109-R113 WeakPolarHBondContact O-CG 3.45Å; E109-R113 PolarHBondContact O-N 3.43Å; E109-R113 IonicContact OE1-CZ 2.71Å; E109-R113 IonicContact OE1-NE 2.69Å; E109-R113 PolarHBondContact OE1-NE 3.43Å; E109-R113 IonicContact OE1-NH2 3.26Å; E109-R113 PolarHBondContact OE1-NH2 2.9Å; D110-R113 PolarHBondContact O-N 2.95Å
114L91.9Very high92.2Very high18 Ų1866.4 Ų66.49%0.09433%0.329CS..Hα-helixtrans-77.5-26.7172.3177.856.4000112.6D110 V111 R112 F118 L155 R159 L168D110-L114 PolarHBondContact O-N 3.39Å; D110-L114 VanDerWaalsContact O-N 3.15Å; V111-L114 PolarHBondContact O-N 2.92Å; R112-L114 PolarHBondContact O-N 3.15Å; L114-F118 WeakPolarHBondContact O-CE2 3.13Å; L114-L155 HydrophobicContact CD1-CD2 3.83Å; L114-L155 HydrophobicContact CG-CD1 4.19Å; L114-L155 HydrophobicContact CG-CD2 4.33Å; L114-R159 VanDerWaalsContact CD1-CZ 3.48Å; L114-L168 HydrophobicContact CD2-CD1 3.77Å
115F94.8Very high92.5Very high0 Ų062.8 Ų62.80%032%0.318CS..Hα-helixtrans-102.5-24.1-173.8-81-111.8000112.8L97 V99 V111 R112 P117 F118 I121 V140 Y142 A151 L155 V170L97-F115 HydrophobicContact CD1-CD1 4.44Å; L97-F115 HydrophobicContact CD1-CE1 4.04Å; V99-F115 HydrophobicContact CB-CZ 4.2Å; V99-F115 HydrophobicContact CG1-CE2 3.98Å; V99-F115 HydrophobicContact CG1-CZ 3.74Å; V99-F115 HydrophobicContact CG2-CE1 3.67Å; V99-F115 HydrophobicContact CG2-CE2 4.05Å; V99-F115 HydrophobicContact CG2-CZ 3.33Å; V111-F115 HydrophobicContact CG1-CD2 4.16Å; V111-F115 HydrophobicContact CG1-CE2 4.32Å; V111-F115 VanDerWaalsContact O-CD2 3.27Å; V111-F115 WeakPolarHBondContact O-CD2 3.3Å; V111-F115 PolarHBondContact O-N 3.28Å; R112-F115 PolarHBondContact O-N 3.28Å; F115-P117 VanDerWaalsContact C-N 3.31Å; F115-P117 WeakPolarHBondContact O-CD 3.45Å; F115-P117 VanDerWaalsContact O-N 3.15Å; F115-F118 PolarHBondContact O-N 3Å; F115-F118 VanDerWaalsContact O-N 3.11Å; F115-I121 HydrophobicContact CB-CD1 3.64Å; F115-I121 HydrophobicContact CB-CG1 4.48Å; F115-V140 HydrophobicContact CB-CG1 4.1Å; F115-V140 HydrophobicContact CD1-CB 4.06Å; F115-V140 HydrophobicContact CD1-CG1 3.9Å; F115-V140 HydrophobicContact CD1-CG2 3.98Å; F115-V140 HydrophobicContact CD2-CG2 4.43Å; F115-V140 HydrophobicContact CE1-CB 4.48Å; F115-V140 HydrophobicContact CE1-CG2 4.31Å; F115-V140 HydrophobicContact CG-CG1 4.19Å; F115-V140 HydrophobicContact CG-CG2 4.08Å; F115-Y142 WeakPolarHBondContact CB-OH 3.44Å; F115-Y142 HydrophobicContact CD1-CE2 4.11Å; F115-Y142 VanDerWaalsContact CD1-OH 3.32Å; F115-Y142 WeakPolarHBondContact CD1-OH 3.08Å; F115-Y142 PolarHBondContact O-OH 3.47Å; F115-A151 HydrophobicContact CD1-CB 4.26Å; F115-A151 HydrophobicContact CE1-CB 4.39Å; F115-L155 HydrophobicContact CD1-CD1 4.01Å; F115-L155 HydrophobicContact CD2-CD1 3.78Å; F115-L155 HydrophobicContact CE1-CD1 3.76Å; F115-L155 HydrophobicContact CE2-CD1 3.54Å; F115-L155 HydrophobicContact CG-CD1 4Å; F115-L155 HydrophobicContact CZ-CD1 3.5Å; F115-V170 HydrophobicContact CE1-CG1 3.93Å; F115-V170 HydrophobicContact CZ-CG1 4.12Å; F115-V170 HydrophobicContact CZ-CG2 3.89Å
116E95Very high92.8Very high113 Ų11356.6 Ų56.653%0.52829%0.29SS..G310 helixtrans-53.5-30.3177.969.3-179-132.900116.2R112 F118 G119 I121R112-E116 PolarHBondContact O-N 2.96Å; E116-F118 PolarHBondContact O-N 2.85Å; E116-F118 VanDerWaalsContact O-N 3.14Å; E116-G119 PolarHBondContact O-N 2.88Å; E116-I121 HydrophobicContact CB-CD1 4.46Å
117P95.4Very high93Very high96 Ų9657.5 Ų57.562%0.62330%0.295SS*.G310 helixtrans-68.5-12.4179.2-20.135000114.2F115F115-P117 VanDerWaalsContact C-N 3.31Å; F115-P117 WeakPolarHBondContact O-CD 3.45Å; F115-P117 VanDerWaalsContact O-N 3.15Å
118F93.9Very high93Very high54 Ų5460.1 Ų60.124%0.23730%0.299CS..G310 helixtrans-103.2-8.6-176.5-53.8-78.9000113.4L114 F115 E116 E147 A151 L155L114-F118 WeakPolarHBondContact O-CE2 3.13Å; F115-F118 PolarHBondContact O-N 3Å; F115-F118 VanDerWaalsContact O-N 3.11Å; E116-F118 PolarHBondContact O-N 2.85Å; E116-F118 VanDerWaalsContact O-N 3.14Å; F118-E147 WeakPolarHBondContact O-CA 3.28Å; F118-E147 WeakPolarHBondContact O-CB 3.44Å; F118-A151 HydrophobicContact CB-CB 3.84Å; F118-A151 HydrophobicContact CD2-CB 4.27Å; F118-A151 HydrophobicContact CG-CB 4.02Å; F118-L155 HydrophobicContact CD2-CD1 4.03Å; F118-L155 HydrophobicContact CD2-CG 4.42Å; F118-L155 HydrophobicContact CE2-CD1 3.66Å; F118-L155 HydrophobicContact CE2-CD2 3.85Å; F118-L155 HydrophobicContact CE2-CG 3.71Å; F118-L155 HydrophobicContact CZ-CD1 4.43Å; F118-L155 HydrophobicContact CZ-CD2 3.99Å; F118-L155 HydrophobicContact CZ-CG 3.99Å
119G92.1Very high92.8Very high19 Ų1958.2 Ų58.220%0.19629%0.292CS..SBendtrans153.8-176.7175.400000115.6E116 I121 E147E116-G119 PolarHBondContact O-N 2.88Å; G119-I121 PolarHBondContact O-N 3.05Å; G119-E147 WeakPolarHBondContact CA-OE1 3.49Å
120S91.4Very high92.6Very high64 Ų6461.1 Ų61.145%0.44832%0.318SS..  trans-77.1108.6-175.8-61.50000111.7E122 Y142 Q143 E147S120-E122 PolarHBondContact O-N 3.23Å; S120-Y142 WeakPolarHBondContact O-CA 3.41Å; S120-Q143 PolarHBondContact O-N 3.26Å; S120-E147 PolarHBondContact N-OE1 3.04Å
121I93.2Very high92.4Very high25 Ų2563.2 Ų63.213%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-77.8119178.5-61.4171.7000110.7R112 F115 E116 G119 E123 C124 V140 K141 Y142R112-I121 HydrophobicContact CB-CD1 4.48Å; R112-I121 HydrophobicContact CG-CD1 3.75Å; R112-I121 WeakPolarHBondContact O-CD1 3.32Å; F115-I121 HydrophobicContact CB-CD1 3.64Å; F115-I121 HydrophobicContact CB-CG1 4.48Å; E116-I121 HydrophobicContact CB-CD1 4.46Å; G119-I121 PolarHBondContact O-N 3.05Å; I121-E123 VanDerWaalsContact CG2-O 3.3Å; I121-E123 WeakPolarHBondContact CG2-O 3.23Å; I121-C124 HydrophobicContact CG2-CB 4.11Å; I121-V140 HydrophobicContact CD1-CG1 4.21Å; I121-V140 HydrophobicContact CG1-CG1 4.08Å; I121-V140 HydrophobicContact CG2-CG1 4.09Å; I121-K141 CarbonylContact C-O 3.42Å; I121-Y142 HydrophobicContact CG1-CD1 4.31Å; I121-Y142 HydrophobicContact CG1-CE1 3.94Å
122E90.1Very high92.1Very high97 Ų9765.2 Ų65.245%0.45335%0.35SS..EExtended strand (participates in β ladder)trans-84.6-35.2174.8-159.9-163.1130.200111.9R95 S120 K141R95-E122 IonicContact CZ-OE2 2.8Å; R95-E122 IonicContact NH1-OE2 2.68Å; R95-E122 PolarHBondContact NH1-OE2 3.2Å; R95-E122 IonicContact NH2-OE2 3.75Å; S120-E122 PolarHBondContact O-N 3.23Å; E122-K141 HydrophobicContact CB-CB 4.41Å; E122-K141 HydrophobicContact CB-CD 4.33Å; E122-K141 HydrophobicContact CB-CG 4.34Å; E122-K141 HydrophobicContact CG-CD 4.47Å; E122-K141 PolarHBondContact N-O 3.16Å; E122-K141 VanDerWaalsContact OE1-CE 3.31Å; E122-K141 WeakPolarHBondContact OE1-CE 3.4Å; E122-K141 IonicContact OE1-NZ 2.65Å; E122-K141 PolarHBondContact OE1-NZ 3.16Å; E122-K141 VanDerWaalsContact OE2-CE 3.23Å; E122-K141 WeakPolarHBondContact OE2-CE 3.5Å; E122-K141 IonicContact OE2-NZ 3.7Å; E122-K141 PolarHBondContact OE2-NZ 2.82Å
123E89.6Confident91.8Very high63 Ų6362.9 Ų62.929%0.29435%0.349SS..EExtended strand (participates in β ladder)trans-147.9138-178.6-166.9-160.7139.800110K96 I121 T125 V140 K141K96-E123 IonicContact NZ-OE1 2.65Å; K96-E123 PolarHBondContact NZ-OE1 2.9Å; K96-E123 IonicContact NZ-OE2 2.89Å; K96-E123 PolarHBondContact NZ-OE2 3.46Å; I121-E123 VanDerWaalsContact CG2-O 3.3Å; I121-E123 WeakPolarHBondContact CG2-O 3.23Å; E123-T125 PolarHBondContact OE1-OG1 3.5Å; E123-V140 CarbonylContact O-C 3.44Å; E123-V140 WeakPolarHBondContact O-CA 3.2Å; E123-K141 HydrophobicContact CB-CB 3.64Å; E123-K141 HydrophobicContact CB-CD 4.38Å; E123-K141 PolarHBondContact N-O 2.96Å; E123-K141 PolarHBondContact O-N 2.99Å
124C93.7Very high91.7Very high29 Ų2955.8 Ų55.820%0.19632%0.323CS..EExtended strand (participates in β ladder)trans-139.8124169-172.70000109.2D108 R112 I121 F139D108-C124 PolarHBondContact O-SG 2.92Å; R112-C124 HydrophobicContact CB-CB 4.44Å; I121-C124 HydrophobicContact CG2-CB 4.11Å; C124-F139 WeakPolarHBondContact CA-O 3.25Å
125T93.8Very high91.6Very high60 Ų6061.1 Ų61.137%0.36835%0.345SS..EExtended strand (participates in β ladder)trans-146114.8-173.4-50.70000111.1E123 A138 F139E123-T125 PolarHBondContact OE1-OG1 3.5Å; T125-A138 CarbonylContact O-C 3.54Å; T125-A138 WeakPolarHBondContact O-CA 3.47Å; T125-A138 WeakPolarHBondContact O-CB 3.38Å; T125-F139 PolarHBondContact N-O 3.48Å; T125-F139 PolarHBondContact O-N 3.21Å
126V93.9Very high91.4Very high7 Ų761.7 Ų61.74%0.04235%0.351CS..EExtended strand (participates in β ladder)trans-79.1127.1171.7173.50000109.7D108 V111 R128 S134 A138D108-V126 HydrophobicContact CB-CG2 4.34Å; D108-V126 WeakPolarHBondContact OD1-CB 3.42Å; D108-V126 PolarHBondContact OD1-N 3.15Å; V111-V126 HydrophobicContact CG2-CG2 3.91Å; V126-R128 HydrophobicContact CG1-CG 4.41Å; V126-R128 PolarHBondContact O-N 2.8Å; V126-S134 WeakPolarHBondContact CG1-OG 3.39Å; V126-A138 HydrophobicContact CG2-CB 4.05Å
127L91.9Very high91.3Very high46 Ų4657.1 Ų57.124%0.24133%0.331CS..EExtended strand (participates in β ladder)trans-76.4117179.5-73.375.1000109.5K135 C137 F139L127-K135 HydrophobicContact CB-CB 4.45Å; L127-K135 HydrophobicContact CB-CD 4.23Å; L127-K135 VanDerWaalsContact O-CB 3.32Å; L127-K135 WeakPolarHBondContact O-CB 3.26Å; L127-K135 PolarHBondContact O-N 3.34Å; L127-C137 PolarHBondContact N-O 2.61Å; L127-F139 HydrophobicContact CD1-CD2 3.66Å; L127-F139 HydrophobicContact CD1-CE2 3.89Å; L127-F139 HydrophobicContact CD1-CG 4.3Å; L127-F139 HydrophobicContact CD2-CE2 4Å; L127-F139 HydrophobicContact CG-CD2 4.47Å; L127-F139 HydrophobicContact CG-CE2 4.33Å
128R92.8Very high91.3Very high94 Ų9452.6 Ų52.636%0.35530%0.302SS..EExtended strand (participates in β ladder)trans-106.5159.4177.2-63.4174-167.6-76-7.9111.3D108 V126 G132 T133 K135D108-R128 IonicContact OD2-CZ 2.62Å; D108-R128 IonicContact OD2-NE 3.05Å; D108-R128 IonicContact OD2-NH2 2.72Å; D108-R128 PolarHBondContact OD2-NH2 3Å; V126-R128 HydrophobicContact CG1-CG 4.41Å; V126-R128 PolarHBondContact O-N 2.8Å; R128-G132 WeakPolarHBondContact CD-O 3.27Å; R128-G132 WeakPolarHBondContact CG-O 3.16Å; R128-T133 CarbonylContact C-O 3.53Å; R128-T133 VanDerWaalsContact CA-O 3.28Å; R128-T133 WeakPolarHBondContact CA-O 3.32Å; R128-K135 VanDerWaalsContact O-CE 3.28Å; R128-K135 WeakPolarHBondContact O-CE 3.18Å; R128-K135 PolarHBondContact O-NZ 2.67Å
129G89.6Confident91.4Very high15 Ų1552.5 Ų52.516%0.15530%0.301CS..  trans-78.5174.2168.700000112.3D131 G132 T133G129-D131 VanDerWaalsContact C-OD1 3.28Å; G129-D131 WeakPolarHBondContact CA-OD1 3.48Å; G129-D131 PolarHBondContact O-N 2.93Å; G129-G132 PolarHBondContact O-N 3.4Å; G129-T133 PolarHBondContact N-O 2.68Å
130P87.7Confident91.5Very high145 Ų14551.6 Ų51.694%0.94229%0.292SS*.THydrogen-bonded Turntrans-65.3-17.5174.130.8-35.7000112.5
131D88.7Confident91.6Very high111 Ų11150.1 Ų50.159%0.59428%0.278SS*.THydrogen-bonded Turntrans-85.80.7172.363.9-35.7000113.5G129 T133G129-D131 VanDerWaalsContact C-OD1 3.28Å; G129-D131 WeakPolarHBondContact CA-OD1 3.48Å; G129-D131 PolarHBondContact O-N 2.93Å; D131-T133 PolarHBondContact O-N 2.75Å; D131-T133 WeakPolarHBondContact OD2-CB 3.48Å; D131-T133 PolarHBondContact OD2-OG1 2.65Å
132G85.3Confident91.5Very high41 Ų4149 Ų4942%0.42327%0.272SS..SBendtrans79.4-13.5-177.400000115.3R128 G129 S134R128-G132 WeakPolarHBondContact CD-O 3.27Å; R128-G132 WeakPolarHBondContact CG-O 3.16Å; G129-G132 PolarHBondContact O-N 3.4Å; G132-S134 PolarHBondContact O-N 2.84Å
133T89.6Confident91.3Very high70 Ų7050.7 Ų50.743%0.42928%0.28SS..  trans-60.4133.6178.2-58.30000111.3R128 G129 D131 K135R128-T133 CarbonylContact C-O 3.53Å; R128-T133 VanDerWaalsContact CA-O 3.28Å; R128-T133 WeakPolarHBondContact CA-O 3.32Å; G129-T133 PolarHBondContact N-O 2.68Å; D131-T133 PolarHBondContact O-N 2.75Å; D131-T133 WeakPolarHBondContact OD2-CB 3.48Å; D131-T133 PolarHBondContact OD2-OG1 2.65Å; T133-K135 PolarHBondContact O-N 3.2Å
134S90.8Very high91Very high5 Ų548.9 Ų48.94%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-64.3134.1174179.50000111.5K104 V126 G132 G136K104-S134 WeakPolarHBondContact O-CB 3.38Å; V126-S134 WeakPolarHBondContact CG1-OG 3.39Å; G132-S134 PolarHBondContact O-N 2.84Å; S134-G136 PolarHBondContact O-N 2.84Å; S134-G136 PolarHBondContact OG-N 2.96Å
135K90.9Very high90.6Very high130 Ų13052 Ų5257%0.56529%0.289SS*.EExtended strand (participates in β ladder)trans-77.72173.6-70.2166.6171.3151.90113L127 R128 T133 C137L127-K135 HydrophobicContact CB-CB 4.45Å; L127-K135 HydrophobicContact CB-CD 4.23Å; L127-K135 VanDerWaalsContact O-CB 3.32Å; L127-K135 WeakPolarHBondContact O-CB 3.26Å; L127-K135 PolarHBondContact O-N 3.34Å; R128-K135 VanDerWaalsContact O-CE 3.28Å; R128-K135 WeakPolarHBondContact O-CE 3.18Å; R128-K135 PolarHBondContact O-NZ 2.67Å; T133-K135 PolarHBondContact O-N 3.2Å; K135-C137 VanDerWaalsContact C-N 3.31Å
136G90.6Very high90.3Very high11 Ų1152.9 Ų52.911%0.11330%0.303CS..EExtended strand (participates in β ladder)trans71.626.1-176.400000113.1M101 L102 S134M101-G136 PolarHBondContact N-O 3.15Å; L102-G136 PolarHBondContact N-O 3.02Å; L102-G136 WeakPolarHBondContact O-CA 3.33Å; S134-G136 PolarHBondContact O-N 2.84Å; S134-G136 PolarHBondContact OG-N 2.96Å
137C93.3Very high90.3Very high18 Ų1854.5 Ų54.512%0.12231%0.31CS..EExtended strand (participates in β ladder)trans-149.2158.2175.1600000112.9F98 V99 L127 K135F98-C137 HydrophobicContact CE2-CB 3.62Å; F98-C137 HydrophobicContact CZ-CB 3.61Å; V99-C137 CarbonylContact O-C 3.59Å; V99-C137 WeakPolarHBondContact O-CA 3.48Å; V99-C137 WeakPolarHBondContact O-CB 3.36Å; L127-C137 PolarHBondContact N-O 2.61Å; K135-C137 VanDerWaalsContact C-N 3.31Å
138A94.9Very high90.4Very high0 Ų052.3 Ų52.30%030%0.298CS..EExtended strand (participates in β ladder)trans-140.2165.8179.300000111.4V99 L102 V111 T125 V126V99-A138 HydrophobicContact CB-CB 4.36Å; V99-A138 PolarHBondContact N-O 2.77Å; V99-A138 PolarHBondContact O-N 3.15Å; L102-A138 HydrophobicContact CD1-CB 3.52Å; V111-A138 HydrophobicContact CG1-CB 4.11Å; V111-A138 HydrophobicContact CG2-CB 4.38Å; T125-A138 CarbonylContact O-C 3.54Å; T125-A138 WeakPolarHBondContact O-CA 3.47Å; T125-A138 WeakPolarHBondContact O-CB 3.38Å; V126-A138 HydrophobicContact CG2-CB 4.05Å
139F95.2Very high90.4Very high52 Ų5250.9 Ų50.923%0.22830%0.296CS..EExtended strand (participates in β ladder)trans-109.7141.1159.4-67.3-64.3000110.5K96 L97 F98 C124 T125 L127 A173K96-F139 HydrophobicContact CG-CB 4.47Å; L97-F139 VanDerWaalsContact O-CA 3.26Å; L97-F139 WeakPolarHBondContact O-CA 3.48Å; F98-F139 HydrophobicContact CB-CD1 4.26Å; F98-F139 HydrophobicContact CB-CE1 4.07Å; F98-F139 HydrophobicContact CD2-CD1 4.36Å; F98-F139 AromaticContact CD2-CE1 3.85Å; F98-F139 HydrophobicContact CD2-CE1 3.85Å; F98-F139 HydrophobicContact CD2-CZ 4.37Å; F98-F139 HydrophobicContact CG-CE1 4.47Å; C124-F139 WeakPolarHBondContact CA-O 3.25Å; T125-F139 PolarHBondContact N-O 3.48Å; T125-F139 PolarHBondContact O-N 3.21Å; L127-F139 HydrophobicContact CD1-CD2 3.66Å; L127-F139 HydrophobicContact CD1-CE2 3.89Å; L127-F139 HydrophobicContact CD1-CG 4.3Å; L127-F139 HydrophobicContact CD2-CE2 4Å; L127-F139 HydrophobicContact CG-CD2 4.47Å; L127-F139 HydrophobicContact CG-CE2 4.33Å; F139-A173 HydrophobicContact CD1-CB 3.92Å; F139-A173 HydrophobicContact CE1-CB 3.71Å
140V95Very high90.6Very high0 Ų052.1 Ų52.10%030%0.304CS..EExtended strand (participates in β ladder)trans-129.1125.8171.7-178.60000108.3L97 V99 V111 F115 I121 E123 Y142L97-V140 PolarHBondContact N-O 3.17Å; L97-V140 PolarHBondContact O-N 3.16Å; V99-V140 HydrophobicContact CG2-CG2 3.92Å; V111-V140 HydrophobicContact CG1-CG2 3.74Å; F115-V140 HydrophobicContact CB-CG1 4.1Å; F115-V140 HydrophobicContact CD1-CB 4.06Å; F115-V140 HydrophobicContact CD1-CG1 3.9Å; F115-V140 HydrophobicContact CD1-CG2 3.98Å; F115-V140 HydrophobicContact CD2-CG2 4.43Å; F115-V140 HydrophobicContact CE1-CB 4.48Å; F115-V140 HydrophobicContact CE1-CG2 4.31Å; F115-V140 HydrophobicContact CG-CG1 4.19Å; F115-V140 HydrophobicContact CG-CG2 4.08Å; I121-V140 HydrophobicContact CD1-CG1 4.21Å; I121-V140 HydrophobicContact CG1-CG1 4.08Å; I121-V140 HydrophobicContact CG2-CG1 4.09Å; E123-V140 CarbonylContact O-C 3.44Å; E123-V140 WeakPolarHBondContact O-CA 3.2Å; V140-Y142 HydrophobicContact CG1-CD2 4.48Å; V140-Y142 HydrophobicContact CG1-CE2 4.11Å
141K92.4Very high90.9Very high34 Ų3445.2 Ų45.215%0.14826%0.259CS..EExtended strand (participates in β ladder)trans-109.8126.7176.7-168.9-173.3179.6-169.50109.3R95 K96 I121 E122 E123R95-K141 WeakPolarHBondContact O-CA 3.34Å; K96-K141 HydrophobicContact CB-CG 4.39Å; K96-K141 HydrophobicContact CG-CB 4.34Å; I121-K141 CarbonylContact C-O 3.42Å; E122-K141 HydrophobicContact CB-CB 4.41Å; E122-K141 HydrophobicContact CB-CD 4.33Å; E122-K141 HydrophobicContact CB-CG 4.34Å; E122-K141 HydrophobicContact CG-CD 4.47Å; E122-K141 PolarHBondContact N-O 3.16Å; E122-K141 VanDerWaalsContact OE1-CE 3.31Å; E122-K141 WeakPolarHBondContact OE1-CE 3.4Å; E122-K141 IonicContact OE1-NZ 2.65Å; E122-K141 PolarHBondContact OE1-NZ 3.16Å; E122-K141 VanDerWaalsContact OE2-CE 3.23Å; E122-K141 WeakPolarHBondContact OE2-CE 3.5Å; E122-K141 IonicContact OE2-NZ 3.7Å; E122-K141 PolarHBondContact OE2-NZ 2.82Å; E123-K141 HydrophobicContact CB-CB 3.64Å; E123-K141 HydrophobicContact CB-CD 4.38Å; E123-K141 PolarHBondContact N-O 2.96Å; E123-K141 PolarHBondContact O-N 2.99Å
142Y92.8Very high91.2Very high0 Ų041 Ų410%024%0.236CC..EExtended strand (participates in β ladder)trans-95.9158.8174.8-76.1-79.8000112.4R95 L97 F115 S120 I121 V140 G144 E147 A148 A151R95-Y142 WeakPolarHBondContact CB-O 3.25Å; R95-Y142 PolarHBondContact NH1-O 2.79Å; R95-Y142 PolarHBondContact O-N 2.85Å; L97-Y142 HydrophobicContact CD1-CD2 4.18Å; L97-Y142 HydrophobicContact CD1-CE2 3.72Å; L97-Y142 HydrophobicContact CG-CD2 4.49Å; L97-Y142 HydrophobicContact CG-CE2 4.47Å; F115-Y142 WeakPolarHBondContact CB-OH 3.44Å; F115-Y142 HydrophobicContact CD1-CE2 4.11Å; F115-Y142 VanDerWaalsContact CD1-OH 3.32Å; F115-Y142 WeakPolarHBondContact CD1-OH 3.08Å; F115-Y142 PolarHBondContact O-OH 3.47Å; S120-Y142 WeakPolarHBondContact O-CA 3.41Å; I121-Y142 HydrophobicContact CG1-CD1 4.31Å; I121-Y142 HydrophobicContact CG1-CE1 3.94Å; V140-Y142 HydrophobicContact CG1-CD2 4.48Å; V140-Y142 HydrophobicContact CG1-CE2 4.11Å; Y142-G144 VanDerWaalsContact C-N 3.35Å; Y142-G144 WeakPolarHBondContact CB-O 3.47Å; Y142-E147 HydrophobicContact CD1-CB 3.63Å; Y142-E147 HydrophobicContact CE1-CB 4.25Å; Y142-E147 HydrophobicContact CG-CB 3.82Å; Y142-A148 VanDerWaalsContact CD2-CA 3.47Å; Y142-A148 HydrophobicContact CD2-CB 3.73Å; Y142-A148 HydrophobicContact CE2-CB 4.49Å; Y142-A148 HydrophobicContact CG-CB 4.36Å; Y142-A151 HydrophobicContact CE2-CB 3.69Å; Y142-A151 VanDerWaalsContact OH-CB 3.25Å; Y142-A151 WeakPolarHBondContact OH-CB 3.4Å
143Q85.3Confident91.6Very high134 Ų13444.5 Ų44.563%0.62625%0.246SC*.SBendtrans-70.2-33.3175.1-160.9159.299.300111.6R95 S120 E147R95-Q143 VanDerWaalsContact CD-O 3.32Å; R95-Q143 WeakPolarHBondContact CD-O 3.27Å; R95-Q143 PolarHBondContact NH1-O 2.8Å; S120-Q143 PolarHBondContact O-N 3.26Å; Q143-E147 PolarHBondContact N-OE2 3.2Å
144G83.3Confident91.8Very high25 Ų2544.1 Ų44.126%0.25825%0.246SC..SBendtrans-121154.9175.800000114.8Y142 E147 A148Y142-G144 VanDerWaalsContact C-N 3.35Å; Y142-G144 WeakPolarHBondContact CB-O 3.47Å; G144-E147 PolarHBondContact N-OE2 3.2Å; G144-A148 PolarHBondContact O-N 2.98Å
145H85.6Confident91.9Very high94 Ų9444.4 Ų44.444%0.43525%0.247SC..Hα-helixtrans-69.6-35.7175.4170.369.1000112.7D94 R95 E147 A148 Q149 F172D94-H145 PolarHBondContact O-ND1 2.62Å; R95-H145 HydrophobicContact CG-CB 4.3Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 3.35Å; H145-A148 WeakPolarHBondContact O-CB 3.49Å; H145-A148 PolarHBondContact O-N 3.31Å; H145-Q149 PolarHBondContact O-N 3.44Å; H145-F172 AromaticContact CE1-CZ 3.58Å; H145-F172 AromaticContact ND1-CE1 3.97Å; H145-F172 AromaticContact ND1-CZ 3.91Å
146A87.2Confident92Very high78 Ų7843 Ų4365%0.64524%0.242SC*.Hα-helixtrans-63.7-37.6178.800000112.5Q149 A150A146-Q149 PolarHBondContact O-N 3.38Å; A146-A150 WeakPolarHBondContact O-CB 3.49Å; A146-A150 PolarHBondContact O-N 3.47Å
147E93.6Very high92Very high42 Ų4244.3 Ų44.320%0.19626%0.256CS..Hα-helixtrans-61-48173.3-56.8178.1129.300110.8F118 G119 S120 Y142 Q143 G144 H145 Q149 A150 A151F118-E147 WeakPolarHBondContact O-CA 3.28Å; F118-E147 WeakPolarHBondContact O-CB 3.44Å; G119-E147 WeakPolarHBondContact CA-OE1 3.49Å; S120-E147 PolarHBondContact N-OE1 3.04Å; Y142-E147 HydrophobicContact CD1-CB 3.63Å; Y142-E147 HydrophobicContact CE1-CB 4.25Å; Y142-E147 HydrophobicContact CG-CB 3.82Å; Q143-E147 PolarHBondContact N-OE2 3.2Å; G144-E147 PolarHBondContact N-OE2 3.2Å; H145-E147 VanDerWaalsContact C-N 3.33Å; H145-E147 PolarHBondContact O-N 3.35Å; E147-Q149 PolarHBondContact O-N 3.03Å; E147-A150 PolarHBondContact O-N 2.92Å; E147-A151 WeakPolarHBondContact O-CB 3.23Å; E147-A151 PolarHBondContact O-N 3.46Å
148A93Very high91.7Very high0 Ų046.7 Ų46.70%027%0.273CS..Hα-helixtrans-60.9-41.7176.700000112.5L97 Y142 G144 H145 A151 I152 F172L97-A148 HydrophobicContact CD1-CB 4.4Å; L97-A148 HydrophobicContact CD2-CB 3.99Å; L97-A148 HydrophobicContact CG-CB 4.19Å; Y142-A148 VanDerWaalsContact CD2-CA 3.47Å; Y142-A148 HydrophobicContact CD2-CB 3.73Å; Y142-A148 HydrophobicContact CE2-CB 4.49Å; Y142-A148 HydrophobicContact CG-CB 4.36Å; G144-A148 PolarHBondContact O-N 2.98Å; H145-A148 WeakPolarHBondContact O-CB 3.49Å; H145-A148 PolarHBondContact O-N 3.31Å; A148-A151 PolarHBondContact O-N 3.32Å; A148-I152 WeakPolarHBondContact O-CG1 3.35Å; A148-I152 PolarHBondContact O-N 2.99Å; A148-F172 HydrophobicContact CB-CE1 4.09Å
149Q92.8Very high90.9Very high64 Ų6452.2 Ų52.230%0.29929%0.294SS..Hα-helixtrans-69.3-38.7177.1-170.762.362.800112.4H145 A146 E147 I152 N153H145-Q149 PolarHBondContact O-N 3.44Å; A146-Q149 PolarHBondContact O-N 3.38Å; E147-Q149 PolarHBondContact O-N 3.03Å; Q149-I152 PolarHBondContact O-N 2.81Å; Q149-N153 PolarHBondContact NE2-OD1 2.84Å; Q149-N153 WeakPolarHBondContact O-CB 3.36Å; Q149-N153 PolarHBondContact O-N 2.82Å; Q149-N153 PolarHBondContact O-OD1 2.81Å
150A94.1Very high90.2Very high40 Ų4053.5 Ų53.533%0.33131%0.306SS..Hα-helixtrans-61.5-44.8173.900000111.1A146 E147 I152 N153 S154A146-A150 WeakPolarHBondContact O-CB 3.49Å; A146-A150 PolarHBondContact O-N 3.47Å; E147-A150 PolarHBondContact O-N 2.92Å; A150-I152 PolarHBondContact O-N 3.05Å; A150-N153 PolarHBondContact O-N 2.6Å; A150-S154 PolarHBondContact O-N 3.07Å; A150-S154 PolarHBondContact O-OG 2.72Å
151A95.2Very high89.3Confident0 Ų054.1 Ų54.10%031%0.309CS..Hα-helixtrans-61.6-41.1175.700000112.9L97 F115 F118 Y142 E147 A148 L155L97-A151 HydrophobicContact CD1-CB 3.92Å; F115-A151 HydrophobicContact CD1-CB 4.26Å; F115-A151 HydrophobicContact CE1-CB 4.39Å; F118-A151 HydrophobicContact CB-CB 3.84Å; F118-A151 HydrophobicContact CD2-CB 4.27Å; F118-A151 HydrophobicContact CG-CB 4.02Å; Y142-A151 HydrophobicContact CE2-CB 3.69Å; Y142-A151 VanDerWaalsContact OH-CB 3.25Å; Y142-A151 WeakPolarHBondContact OH-CB 3.4Å; E147-A151 WeakPolarHBondContact O-CB 3.23Å; E147-A151 PolarHBondContact O-N 3.46Å; A148-A151 PolarHBondContact O-N 3.32Å; A151-L155 VanDerWaalsContact O-CB 3.23Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 PolarHBondContact O-N 2.75Å
152I94.4Very high88.3Confident22 Ų2256.9 Ų56.911%0.11333%0.33CS..Hα-helixtrans-57.7-53.8171.2-68.6165.6000109.9L97 A148 Q149 A150 S154 L155 H156 V170 F172L97-I152 HydrophobicContact CD1-CG1 4.23Å; L97-I152 HydrophobicContact CD2-CD1 3.59Å; L97-I152 HydrophobicContact CD2-CG1 3.69Å; A148-I152 WeakPolarHBondContact O-CG1 3.35Å; A148-I152 PolarHBondContact O-N 2.99Å; Q149-I152 PolarHBondContact O-N 2.81Å; A150-I152 PolarHBondContact O-N 3.05Å; I152-S154 PolarHBondContact O-N 3.3Å; I152-L155 PolarHBondContact O-N 2.65Å; I152-H156 HydrophobicContact CG2-CB 4.42Å; I152-H156 WeakPolarHBondContact O-CB 3.37Å; I152-H156 PolarHBondContact O-N 3.3Å; I152-V170 HydrophobicContact CG1-CG1 4.04Å; I152-F172 HydrophobicContact CD1-CD1 4.12Å; I152-F172 HydrophobicContact CD1-CD2 3.77Å; I152-F172 HydrophobicContact CD1-CE1 3.81Å; I152-F172 HydrophobicContact CD1-CE2 3.45Å; I152-F172 VanDerWaalsContact CD1-CE2 3.45Å; I152-F172 HydrophobicContact CD1-CG 4.09Å; I152-F172 HydrophobicContact CD1-CZ 3.47Å; I152-F172 VanDerWaalsContact CD1-CZ 3.47Å
153N94.4Very high87.2Confident116 Ų11659.6 Ų59.662%0.6236%0.358SS*.Hα-helixtrans-61.6-28.3-173.2-67.1-2.2000113.4Q149 A150Q149-N153 PolarHBondContact NE2-OD1 2.84Å; Q149-N153 WeakPolarHBondContact O-CB 3.36Å; Q149-N153 PolarHBondContact O-N 2.82Å; Q149-N153 PolarHBondContact O-OD1 2.81Å; A150-N153 PolarHBondContact O-N 2.6Å
154S93.5Very high86.7Confident62 Ų6254.1 Ų54.143%0.43434%0.336SS..Hα-helixtrans-101.9-24.2-178-60.80000115A150 I152 S158A150-S154 PolarHBondContact O-N 3.07Å; A150-S154 PolarHBondContact O-OG 2.72Å; I152-S154 PolarHBondContact O-N 3.3Å; S154-S158 VanDerWaalsContact O-CB 3.28Å; S154-S158 WeakPolarHBondContact O-CB 3.5Å; S154-S158 PolarHBondContact O-OG 2.89Å
155L93.1Very high86.3Confident10 Ų1058.6 Ų58.65%0.05236%0.364CS..Hα-helixtrans-108.3-19-176.7-61.2178.3000114.3L114 F115 F118 A151 I152 G157 S158 V170L114-L155 HydrophobicContact CD1-CD2 3.83Å; L114-L155 HydrophobicContact CG-CD1 4.19Å; L114-L155 HydrophobicContact CG-CD2 4.33Å; F115-L155 HydrophobicContact CD1-CD1 4.01Å; F115-L155 HydrophobicContact CD2-CD1 3.78Å; F115-L155 HydrophobicContact CE1-CD1 3.76Å; F115-L155 HydrophobicContact CE2-CD1 3.54Å; F115-L155 HydrophobicContact CG-CD1 4Å; F115-L155 HydrophobicContact CZ-CD1 3.5Å; F118-L155 HydrophobicContact CD2-CD1 4.03Å; F118-L155 HydrophobicContact CD2-CG 4.42Å; F118-L155 HydrophobicContact CE2-CD1 3.66Å; F118-L155 HydrophobicContact CE2-CD2 3.85Å; F118-L155 HydrophobicContact CE2-CG 3.71Å; F118-L155 HydrophobicContact CZ-CD1 4.43Å; F118-L155 HydrophobicContact CZ-CD2 3.99Å; F118-L155 HydrophobicContact CZ-CG 3.99Å; A151-L155 VanDerWaalsContact O-CB 3.23Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 PolarHBondContact O-N 2.75Å; I152-L155 PolarHBondContact O-N 2.65Å; L155-G157 PolarHBondContact O-N 3.17Å; L155-S158 WeakPolarHBondContact CA-OG 3.2Å; L155-S158 PolarHBondContact O-OG 2.89Å; L155-V170 HydrophobicContact CB-CG2 3.74Å
156H92.4Very high86.2Confident101 Ų10156.9 Ų56.947%0.46836%0.362SS..SBendtrans-67.1122.9175.2-171.6102.7000110.7I152 S158 V170I152-H156 HydrophobicContact CG2-CB 4.42Å; I152-H156 WeakPolarHBondContact O-CB 3.37Å; I152-H156 PolarHBondContact O-N 3.3Å; H156-S158 PolarHBondContact O-N 2.83Å; H156-S158 VanDerWaalsContact O-N 3.08Å; H156-V170 HydrophobicContact CB-CB 4.32Å; H156-V170 PolarHBondContact ND1-N 2.65Å; H156-V170 PolarHBondContact ND1-O 2.86Å
157G90Very high86.3Confident39 Ų3955.3 Ų55.340%0.40235%0.346SS..SBendtrans72-9.6178.800000115.6L155 R159 S167 L168L155-G157 PolarHBondContact O-N 3.17Å; G157-R159 PolarHBondContact O-N 3.06Å; G157-S167 WeakPolarHBondContact O-CB 3.41Å; G157-S167 PolarHBondContact O-OG 2.87Å; G157-L168 PolarHBondContact N-O 2.56Å
158S86.9Confident86.2Confident68 Ų6853.3 Ų53.348%0.47634%0.337SS..SBendtrans-71.4-30.9-162.868.20000115.4S154 L155 H156S154-S158 VanDerWaalsContact O-CB 3.28Å; S154-S158 WeakPolarHBondContact O-CB 3.5Å; S154-S158 PolarHBondContact O-OG 2.89Å; L155-S158 WeakPolarHBondContact CA-OG 3.2Å; L155-S158 PolarHBondContact O-OG 2.89Å; H156-S158 PolarHBondContact O-N 2.83Å; H156-S158 VanDerWaalsContact O-N 3.08Å
159R78.5Confident86.2Confident115 Ų11555.7 Ų55.743%0.43435%0.351SS..  trans-153148176.770.8-169.7-156.7-1749.8113.1L114 G157 M161 S167 L168L114-R159 VanDerWaalsContact CD1-CZ 3.48Å; G157-R159 PolarHBondContact O-N 3.06Å; R159-M161 HydrophobicContact CG-SD 4.29Å; R159-M161 PolarHBondContact NE-SD 3.42Å; R159-M161 PolarHBondContact NH2-SD 2.81Å; R159-S167 WeakPolarHBondContact O-CA 3.4Å; R159-L168 HydrophobicContact CG-CD1 3.97Å; R159-L168 WeakPolarHBondContact O-CG 2.95Å; R159-L168 PolarHBondContact O-N 2.76Å
160T81.2Confident86.3Confident79 Ų7952.7 Ų52.749%0.48534%0.337SS..BIsolated β-bridgetrans-86.2129.2163.9-590000108.8A164 S167T160-A164 HydrophobicContact CG2-CB 4.33Å; T160-A164 WeakPolarHBondContact CG2-O 3.41Å; T160-S167 PolarHBondContact OG1-N 3.06Å
161M75.6Confident86.2Confident14 Ų1454.2 Ų54.27%0.06934%0.337CS..PPolyproline II helixtrans-80.8152.3177.1-66.3-62.9-77.100111.6Q106 R159 G163 A164 L168Q106-M161 HydrophobicContact CG-CE 4.45Å; R159-M161 HydrophobicContact CG-SD 4.29Å; R159-M161 PolarHBondContact NE-SD 3.42Å; R159-M161 PolarHBondContact NH2-SD 2.81Å; M161-G163 PolarHBondContact O-N 3.35Å; M161-A164 HydrophobicContact CB-CB 4.04Å; M161-A164 VanDerWaalsContact O-CB 3.3Å; M161-A164 WeakPolarHBondContact O-CB 3.33Å; M161-A164 PolarHBondContact O-N 2.73Å; M161-L168 HydrophobicContact CG-CD1 4.28Å; M161-L168 HydrophobicContact CG-CD2 3.77Å; M161-L168 HydrophobicContact CG-CG 4.11Å; M161-L168 HydrophobicContact SD-CD1 4.41Å
162P71Confident86.1Confident91 Ų9157.3 Ų57.359%0.59135%0.35SS*.THydrogen-bonded Turntrans-54.2126.3169.6-25.435.1000111.1A164P162-A164 VanDerWaalsContact C-N 3.33Å
163G69.9Low85.9Confident57 Ų5757 Ų5759%0.58835%0.351SS*.THydrogen-bonded Turntrans75.912.3-175.700000115.5M161M161-G163 PolarHBondContact O-N 3.35Å
164A74.8Confident85.2Confident20 Ų2053.9 Ų53.917%0.16533%0.334CS..  trans-101.5147.5169.600000111.9M101 T160 M161 P162 S166M101-A164 VanDerWaalsContact O-CB 3.24Å; M101-A164 WeakPolarHBondContact O-CB 3.16Å; T160-A164 HydrophobicContact CG2-CB 4.33Å; T160-A164 WeakPolarHBondContact CG2-O 3.41Å; M161-A164 HydrophobicContact CB-CB 4.04Å; M161-A164 VanDerWaalsContact O-CB 3.3Å; M161-A164 WeakPolarHBondContact O-CB 3.33Å; M161-A164 PolarHBondContact O-N 2.73Å; P162-A164 VanDerWaalsContact C-N 3.33Å; A164-S166 VanDerWaalsContact C-N 3.35Å
165S74.1Confident84.3Confident119 Ų11952.3 Ų52.383%0.83232%0.322SS*.SBendtrans-80.3-11.5-178.8-43.40000114.4
166S84.3Confident83.1Confident57 Ų5757.9 Ų57.940%0.39935%0.348SS..SBendtrans-163.3168.6-169.9-620000110.9A164A164-S166 VanDerWaalsContact C-N 3.35Å
167S89.4Confident81.6Confident45 Ų4561.9 Ų61.932%0.31536%0.363SS..BIsolated β-bridgetrans-58.3151.4171.1-610000112.5M101 G157 R159 T160 V169M101-S167 WeakPolarHBondContact CB-O 3.35Å; G157-S167 WeakPolarHBondContact O-CB 3.41Å; G157-S167 PolarHBondContact O-OG 2.87Å; R159-S167 WeakPolarHBondContact O-CA 3.4Å; T160-S167 PolarHBondContact OG1-N 3.06Å; S167-V169 PolarHBondContact O-N 2.89Å
168L92Very high80.5Confident1 Ų164.5 Ų64.51%0.00537%0.365CS..  trans-53.7131.7176.6-69.3171.8000112.5L102 L114 G157 R159 M161 V170L102-L168 HydrophobicContact CD2-CD2 3.66Å; L102-L168 HydrophobicContact CG-CD2 4.29Å; L114-L168 HydrophobicContact CD2-CD1 3.77Å; G157-L168 PolarHBondContact N-O 2.56Å; R159-L168 HydrophobicContact CG-CD1 3.97Å; R159-L168 WeakPolarHBondContact O-CG 2.95Å; R159-L168 PolarHBondContact O-N 2.76Å; M161-L168 HydrophobicContact CG-CD1 4.28Å; M161-L168 HydrophobicContact CG-CD2 3.77Å; M161-L168 HydrophobicContact CG-CG 4.11Å; M161-L168 HydrophobicContact SD-CD1 4.41Å; L168-V170 HydrophobicContact CB-CG2 4.38Å
169V93Very high79.7Confident50 Ų5066.1 Ų66.130%0.30336%0.361SS..EExtended strand (participates in β ladder)trans-107.291.8177.5178.90000108.7G100 M101 S167G100-V169 PolarHBondContact N-O 2.95Å; G100-V169 PolarHBondContact O-N 2.95Å; M101-V169 HydrophobicContact CB-CG2 4.49Å; M101-V169 HydrophobicContact CG-CB 4.45Å; M101-V169 HydrophobicContact CG-CG2 3.72Å; S167-V169 PolarHBondContact O-N 2.89Å
170V94.4Very high79.2Confident0 Ų061.1 Ų61.10%035%0.345CS..EExtended strand (participates in β ladder)trans-100122.7179.9-171.10000109.9L97 V99 F115 I152 L155 H156 L168L97-V170 HydrophobicContact CB-CG1 4.47Å; L97-V170 HydrophobicContact CD1-CG1 3.79Å; V99-V170 HydrophobicContact CG1-CG2 4.35Å; F115-V170 HydrophobicContact CE1-CG1 3.93Å; F115-V170 HydrophobicContact CZ-CG1 4.12Å; F115-V170 HydrophobicContact CZ-CG2 3.89Å; I152-V170 HydrophobicContact CG1-CG1 4.04Å; L155-V170 HydrophobicContact CB-CG2 3.74Å; H156-V170 HydrophobicContact CB-CB 4.32Å; H156-V170 PolarHBondContact ND1-N 2.65Å; H156-V170 PolarHBondContact ND1-O 2.86Å; L168-V170 HydrophobicContact CB-CG2 4.38Å
171K93.1Very high78.8Confident73 Ų7362.7 Ų62.732%0.31735%0.35SS..EExtended strand (participates in β ladder)trans-151.5169.517857.9151.7-171.61670110.4L97 F98 D174L97-K171 CarbonylContact C-O 3.47Å; L97-K171 WeakPolarHBondContact CA-O 3.41Å; F98-K171 HydrophobicContact CB-CG 4.31Å; F98-K171 HydrophobicContact CD1-CG 4.25Å; F98-K171 PolarHBondContact N-O 3.3Å; F98-K171 PolarHBondContact O-N 2.87Å; K171-D174 IonicContact NZ-OD1 3.45Å; K171-D174 PolarHBondContact NZ-OD1 3.26Å
172F92.6Very high78.6Confident65 Ų6568.3 Ų68.329%0.28537%0.37SS..EExtended strand (participates in β ladder)trans-58.5145.6165.1-62.4-66.7000111.2D94 L97 H145 A148 I152D94-F172 WeakPolarHBondContact O-CE1 3.35Å; L97-F172 HydrophobicContact CD2-CD1 3.7Å; L97-F172 HydrophobicContact CD2-CE1 3.88Å; L97-F172 HydrophobicContact CD2-CG 4.42Å; H145-F172 AromaticContact CE1-CZ 3.58Å; H145-F172 AromaticContact ND1-CE1 3.97Å; H145-F172 AromaticContact ND1-CZ 3.91Å; A148-F172 HydrophobicContact CB-CE1 4.09Å; I152-F172 HydrophobicContact CD1-CD1 4.12Å; I152-F172 HydrophobicContact CD1-CD2 3.77Å; I152-F172 HydrophobicContact CD1-CE1 3.81Å; I152-F172 HydrophobicContact CD1-CE2 3.45Å; I152-F172 VanDerWaalsContact CD1-CE2 3.45Å; I152-F172 HydrophobicContact CD1-CG 4.09Å; I152-F172 HydrophobicContact CD1-CZ 3.47Å; I152-F172 VanDerWaalsContact CD1-CZ 3.47Å
173A89Confident78.6Confident15 Ų1571.5 Ų71.512%0.12437%0.371CS..PPolyproline II helixtrans-77.1131.817900000110.4K96 F98 F139 T175K96-A173 HydrophobicContact CB-CB 4.33Å; K96-A173 HydrophobicContact CG-CB 4.2Å; K96-A173 WeakPolarHBondContact O-CB 3.38Å; K96-A173 PolarHBondContact O-N 2.96Å; F98-A173 HydrophobicContact CB-CB 4.36Å; F139-A173 HydrophobicContact CD1-CB 3.92Å; F139-A173 HydrophobicContact CE1-CB 3.71Å; A173-T175 PolarHBondContact O-N 3.21Å
174D81.2Confident78.5Confident51 Ų5172.4 Ų72.427%0.27336%0.361SS..PPolyproline II helixtrans-53.7130.9171.6-6021.6000109.6K171 E178 R182K171-D174 IonicContact NZ-OD1 3.45Å; K171-D174 PolarHBondContact NZ-OD1 3.26Å; D174-E178 HydrophobicContact CB-CB 4.46Å; D174-R182 IonicContact OD1-NH1 3.98Å; D174-R182 IonicContact OD2-CZ 3.01Å; D174-R182 IonicContact OD2-NE 2.97Å; D174-R182 IonicContact OD2-NH1 3.04Å; D174-R182 PolarHBondContact OD2-NH1 3.35Å
175T74.2Confident78.3Confident29 Ų2977.9 Ų77.918%0.17838%0.383CS..PPolyproline II helixtrans-58.2155179.162.50000110.9E93 A173 K177 E178 R179E93-T175 HydrophobicContact CB-CG2 4.27Å; E93-T175 HydrophobicContact CG-CG2 4.28Å; E93-T175 WeakPolarHBondContact OE1-CA 3.48Å; E93-T175 WeakPolarHBondContact OE1-CB 3.36Å; E93-T175 VanDerWaalsContact OE1-CG2 3.25Å; E93-T175 WeakPolarHBondContact OE1-CG2 3.3Å; E93-T175 VanDerWaalsContact OE2-CG2 3.27Å; E93-T175 WeakPolarHBondContact OE2-CG2 3.45Å; A173-T175 PolarHBondContact O-N 3.21Å; T175-K177 PolarHBondContact O-N 2.64Å; T175-K177 VanDerWaalsContact O-N 3.15Å; T175-E178 WeakPolarHBondContact CB-OE2 3.28Å; T175-E178 VanDerWaalsContact CG2-OE2 3.29Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.49Å; T175-E178 PolarHBondContact N-OE2 2.82Å; T175-E178 PolarHBondContact O-N 3.41Å; T175-E178 VanDerWaalsContact O-N 3.07Å; T175-E178 WeakPolarHBondContact OG1-CB 3.4Å; T175-E178 WeakPolarHBondContact OG1-CG 3.35Å; T175-E178 PolarHBondContact OG1-N 3.5Å; T175-E178 VanDerWaalsContact OG1-N 3.07Å; T175-E178 PolarHBondContact OG1-OE2 3.31Å; T175-R179 WeakPolarHBondContact O-CB 3.17Å; T175-R179 PolarHBondContact O-N 3.13Å
176E67.4Low78Confident127 Ų12778.4 Ų78.459%0.59337%0.372SS*.Hα-helixtrans-60.4-31.7179.6-177.8146.8-93.900112R179 G180E176-R179 PolarHBondContact O-N 3.45Å; E176-R179 IonicContact OE1-CZ 3.71Å; E176-R179 IonicContact OE1-NH1 2.73Å; E176-R179 PolarHBondContact OE1-NH1 2.96Å; E176-R179 IonicContact OE1-NH2 3.68Å; E176-R179 PolarHBondContact OE1-NH2 3.2Å; E176-G180 PolarHBondContact O-N 3.18Å
177K61.4Low77Confident184 Ų18479.8 Ų79.880%0.838%0.378SS*.Hα-helixtrans-64.8-47.1172.6-176.1-175.4175-167.50112.7T175 G180 L181T175-K177 PolarHBondContact O-N 2.64Å; T175-K177 VanDerWaalsContact O-N 3.15Å; K177-G180 PolarHBondContact O-N 2.86Å; K177-L181 PolarHBondContact O-N 3.33Å
178E67.1Low75.6Confident95 Ų9579.7 Ų79.744%0.44438%0.38SS..Hα-helixtrans-68.1-34.9174.3-73.6166.9123.300112.2D174 T175 G180 L181 R182D174-E178 HydrophobicContact CB-CB 4.46Å; T175-E178 WeakPolarHBondContact CB-OE2 3.28Å; T175-E178 VanDerWaalsContact CG2-OE2 3.29Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.49Å; T175-E178 PolarHBondContact N-OE2 2.82Å; T175-E178 PolarHBondContact O-N 3.41Å; T175-E178 VanDerWaalsContact O-N 3.07Å; T175-E178 WeakPolarHBondContact OG1-CB 3.4Å; T175-E178 WeakPolarHBondContact OG1-CG 3.35Å; T175-E178 PolarHBondContact OG1-N 3.5Å; T175-E178 VanDerWaalsContact OG1-N 3.07Å; T175-E178 PolarHBondContact OG1-OE2 3.31Å; E178-G180 VanDerWaalsContact C-N 3.31Å; E178-G180 PolarHBondContact O-N 3.04Å; E178-L181 PolarHBondContact O-N 3.19Å; E178-R182 VanDerWaalsContact O-CB 3.31Å; E178-R182 WeakPolarHBondContact O-CB 3.48Å; E178-R182 WeakPolarHBondContact O-CG 3.34Å; E178-R182 PolarHBondContact O-N 2.85Å
179R70.2Confident74Confident102 Ų10284.3 Ų84.339%0.38541%0.412SS..Hα-helixtrans-62.9-40173.9-164.4-173.477.9-145.12.6111T175 E176 R183T175-R179 WeakPolarHBondContact O-CB 3.17Å; T175-R179 PolarHBondContact O-N 3.13Å; E176-R179 PolarHBondContact O-N 3.45Å; E176-R179 IonicContact OE1-CZ 3.71Å; E176-R179 IonicContact OE1-NH1 2.73Å; E176-R179 PolarHBondContact OE1-NH1 2.96Å; E176-R179 IonicContact OE1-NH2 3.68Å; E176-R179 PolarHBondContact OE1-NH2 3.2Å; R179-R183 WeakPolarHBondContact O-CB 3.48Å; R179-R183 VanDerWaalsContact O-CG 3.3Å; R179-R183 WeakPolarHBondContact O-CG 3.45Å; R179-R183 PolarHBondContact O-N 2.95Å
180G68.1Low72Confident10 Ų1090.3 Ų90.310%0.10344%0.437CS..Hα-helixtrans-61.3-50.5170.100000112.1E176 K177 E178 R182 R183 M184E176-G180 PolarHBondContact O-N 3.18Å; K177-G180 PolarHBondContact O-N 2.86Å; E178-G180 VanDerWaalsContact C-N 3.31Å; E178-G180 PolarHBondContact O-N 3.04Å; G180-R182 PolarHBondContact O-N 2.82Å; G180-R183 PolarHBondContact O-N 3.08Å; G180-M184 WeakPolarHBondContact O-CB 3.28Å; G180-M184 PolarHBondContact O-N 3.18Å
181L71.3Confident70Confident111 Ų11195.9 Ų95.958%0.58147%0.466SS*.Hα-helixtrans-62.5-41.6178.9-174.761.8000112.8K177 E178 M184 Q185K177-L181 PolarHBondContact O-N 3.33Å; E178-L181 PolarHBondContact O-N 3.19Å; L181-M184 WeakPolarHBondContact O-CB 3.12Å; L181-M184 PolarHBondContact O-N 2.76Å; L181-Q185 WeakPolarHBondContact O-CB 3.4Å; L181-Q185 PolarHBondContact O-N 3.49Å
182R71.4Confident67.9Low132 Ų13294.9 Ų94.950%0.49848%0.477SS..Hα-helixtrans-67.5-38.5176.2-80.8-174.8155.5167.3-0.8112.3D174 E178 G180 Q185 Q186D174-R182 IonicContact OD1-NH1 3.98Å; D174-R182 IonicContact OD2-CZ 3.01Å; D174-R182 IonicContact OD2-NE 2.97Å; D174-R182 IonicContact OD2-NH1 3.04Å; D174-R182 PolarHBondContact OD2-NH1 3.35Å; E178-R182 VanDerWaalsContact O-CB 3.31Å; E178-R182 WeakPolarHBondContact O-CB 3.48Å; E178-R182 WeakPolarHBondContact O-CG 3.34Å; E178-R182 PolarHBondContact O-N 2.85Å; G180-R182 PolarHBondContact O-N 2.82Å; R182-Q185 PolarHBondContact O-N 2.86Å; R182-Q186 WeakPolarHBondContact O-CB 3.32Å; R182-Q186 VanDerWaalsContact O-CG 3.29Å; R182-Q186 WeakPolarHBondContact O-CG 3.29Å; R182-Q186 PolarHBondContact O-N 2.78Å
183R72.7Confident65.9Low158 Ų15897.5 Ų97.560%0.59649%0.493SS*.Hα-helixtrans-61.2-45.8170.1-78.2177.3176.8-170.9-0.2111.1R179 G180 Q185 Q186 V187R179-R183 WeakPolarHBondContact O-CB 3.48Å; R179-R183 VanDerWaalsContact O-CG 3.3Å; R179-R183 WeakPolarHBondContact O-CG 3.45Å; R179-R183 PolarHBondContact O-N 2.95Å; G180-R183 PolarHBondContact O-N 3.08Å; R183-Q185 PolarHBondContact O-N 2.85Å; R183-Q186 PolarHBondContact O-N 2.81Å; R183-V187 PolarHBondContact O-N 3.07Å
184M66.8Low63.5Low76 Ų76106.4 Ų106.437%0.37453%0.529SS..Hα-helixtrans-60-43.9176.3-172.7178.8-74.100111.7G180 L181 V187 A188 Q391G180-M184 WeakPolarHBondContact O-CB 3.28Å; G180-M184 PolarHBondContact O-N 3.18Å; L181-M184 WeakPolarHBondContact O-CB 3.12Å; L181-M184 PolarHBondContact O-N 2.76Å; M184-V187 VanDerWaalsContact O-CG2 3.25Å; M184-V187 WeakPolarHBondContact O-CG2 3.08Å; M184-V187 PolarHBondContact O-N 3.15Å; M184-A188 WeakPolarHBondContact O-CB 3.09Å; M184-A188 PolarHBondContact O-N 3.32Å; M184-Q391 HydrophobicContact CE-CG 4.26Å
185Q70Confident61.4Low135 Ų135108.1 Ų108.163%0.63155%0.545SS*.Hα-helixtrans-68-36177.7-165.2173.722.300112.5L181 R182 R183 S189L181-Q185 WeakPolarHBondContact O-CB 3.4Å; L181-Q185 PolarHBondContact O-N 3.49Å; R182-Q185 PolarHBondContact O-N 2.86Å; R183-Q185 PolarHBondContact O-N 2.85Å; Q185-S189 WeakPolarHBondContact O-CB 3.39Å; Q185-S189 PolarHBondContact O-N 2.72Å
186Q68.3Low59.7Low131 Ų131113.1 Ų113.161%0.61258%0.577SS**Hα-helixtrans-68.7-40175.3-78177-14.200112.7R182 R183 S189 Q190R182-Q186 WeakPolarHBondContact O-CB 3.32Å; R182-Q186 VanDerWaalsContact O-CG 3.29Å; R182-Q186 WeakPolarHBondContact O-CG 3.29Å; R182-Q186 PolarHBondContact O-N 2.78Å; R183-Q186 PolarHBondContact O-N 2.81Å; Q186-S189 PolarHBondContact O-N 3.07Å; Q186-Q190 PolarHBondContact O-N 2.86Å
187V64.4Low58.1Low86 Ų86115.2 Ų115.252%0.52159%0.589SS.*Hα-helixtrans-71-37.9174.2-59.90000111.7R183 M184 S189 Q190 L191R183-V187 PolarHBondContact O-N 3.07Å; M184-V187 VanDerWaalsContact O-CG2 3.25Å; M184-V187 WeakPolarHBondContact O-CG2 3.08Å; M184-V187 PolarHBondContact O-N 3.15Å; V187-S189 VanDerWaalsContact C-N 3.31Å; V187-S189 PolarHBondContact O-N 3.47Å; V187-Q190 PolarHBondContact O-N 3.48Å; V187-L191 VanDerWaalsContact O-CG 3.29Å; V187-L191 WeakPolarHBondContact O-CG 3.17Å; V187-L191 PolarHBondContact O-N 2.79Å
188A59.5Low57.1Low42 Ų42112.8 Ų112.835%0.34759%0.59SS.*Hα-helixtrans-60.6-39.9172.400000112.1M184 L191M184-A188 WeakPolarHBondContact O-CB 3.09Å; M184-A188 PolarHBondContact O-N 3.32Å; A188-L191 PolarHBondContact O-N 2.98Å
189S58.8Low55.7Low98 Ų98115.2 Ų115.269%0.68561%0.605SS**Hα-helixtrans-69.1-32.1175.6-171.20000113.2Q185 Q186 V187Q185-S189 WeakPolarHBondContact O-CB 3.39Å; Q185-S189 PolarHBondContact O-N 2.72Å; Q186-S189 PolarHBondContact O-N 3.07Å; V187-S189 VanDerWaalsContact C-N 3.31Å; V187-S189 PolarHBondContact O-N 3.47Å
190Q49.7Very low54.1Low176 Ų176117.6 Ų117.682%0.82263%0.626SS**Hα-helixtrans-76.2-23.8175.2-112.1-175.7100.200113.1Q186 V187 G192Q186-Q190 PolarHBondContact O-N 2.86Å; V187-Q190 PolarHBondContact O-N 3.48Å; Q190-G192 PolarHBondContact O-N 2.93Å
191L53.3Low52.6Low117 Ų117124.3 Ų124.361%0.61365%0.652SS**THydrogen-bonded Turntrans-77.27.1176.4-72.6167.4000113.8V187 A188 I193V187-L191 VanDerWaalsContact O-CG 3.29Å; V187-L191 WeakPolarHBondContact O-CG 3.17Å; V187-L191 PolarHBondContact O-N 2.79Å; A188-L191 PolarHBondContact O-N 2.98Å; L191-I193 VanDerWaalsContact C-N 3.27Å; L191-I193 HydrophobicContact CB-CD1 4.23Å; L191-I193 HydrophobicContact CB-CG1 4.06Å; L191-I193 PolarHBondContact O-N 3.5Å
192G49.5Very low51.3Low53 Ų53124.9 Ų124.955%0.54666%0.663SS.*THydrogen-bonded Turntrans67.421.4171.500000115Q190 F194Q190-G192 PolarHBondContact O-N 2.93Å; G192-F194 PolarHBondContact O-N 3.45Å
193I49.3Very low49.9Very low120 Ų120123.2 Ų123.262%0.61568%0.678SS**  trans-76.568.6-175.6-48-177.7000110.7L191 S195L191-I193 VanDerWaalsContact C-N 3.27Å; L191-I193 HydrophobicContact CB-CD1 4.23Å; L191-I193 HydrophobicContact CB-CG1 4.06Å; L191-I193 PolarHBondContact O-N 3.5Å; I193-S195 VanDerWaalsContact C-N 3.32Å; I193-S195 PolarHBondContact O-N 3.37Å; I193-S195 VanDerWaalsContact O-N 3.09Å
194F39.5Very low48.4Very low202 Ų202123.3 Ų123.389%0.88668%0.679SS**  trans-77.679.8168.3-94.5-87.2000110.1G192G192-F194 PolarHBondContact O-N 3.45Å
195S36.4Very low47.4Very low87 Ų87124.9 Ų124.961%0.60869%0.689SS**  trans-159.8130.2160.5-82.50000110.9I193 M197I193-S195 VanDerWaalsContact C-N 3.32Å; I193-S195 PolarHBondContact O-N 3.37Å; I193-S195 VanDerWaalsContact O-N 3.09Å; S195-M197 PolarHBondContact O-N 2.6Å
196P39Very low46.3Very low133 Ų133122.4 Ų122.486%0.86469%0.692SS**  trans-7968.7178.334.3-35.7000110.9T198P196-T198 PolarHBondContact O-N 2.97Å
197M34.4Very low45.3Very low171 Ų171124.7 Ų124.784%0.84270%0.696SS**  trans-67.3128.3167.4-90.3-167.817000110S195 L199S195-M197 PolarHBondContact O-N 2.6Å; M197-L199 PolarHBondContact O-N 3.23Å
198T38.7Very low44.6Very low134 Ų134122.5 Ų122.582%0.82268%0.683SS**  trans-70.293.3-170.750.30000111.8P196 N200P196-T198 PolarHBondContact O-N 2.97Å; T198-N200 PolarHBondContact O-N 3.01Å; T198-N200 VanDerWaalsContact O-N 3.08Å
199L38.6Very low44.2Very low145 Ų145127.3 Ų127.376%0.75970%0.698SS**  trans-68.5104166.8-66.1-179.2000109.3M197 F201M197-L199 PolarHBondContact O-N 3.23Å; L199-F201 VanDerWaalsContact C-N 3.29Å; L199-F201 HydrophobicContact CB-CD2 4.48Å; L199-F201 PolarHBondContact O-N 3.26Å
200N36.6Very low43.9Very low153 Ų153125.5 Ų125.582%0.81869%0.689SS**  trans-71.875.2-173.8-175.347.9000112.7T198T198-N200 PolarHBondContact O-N 3.01Å; T198-N200 VanDerWaalsContact O-N 3.08Å
201F36.9Very low44.1Very low150 Ų150120.2 Ų120.266%0.65867%0.669SS**  trans-101.2120.8171.1-90.3-98.1000110.4L199 A203 Y204L199-F201 VanDerWaalsContact C-N 3.29Å; L199-F201 HydrophobicContact CB-CD2 4.48Å; L199-F201 PolarHBondContact O-N 3.26Å; F201-A203 PolarHBondContact O-N 2.75Å; F201-Y204 PolarHBondContact O-N 2.99Å
202P43.5Very low44.2Very low123 Ų123119.5 Ų119.580%0.79967%0.665SS**THydrogen-bonded Turntrans-65-17.6-170.424.1-34.2000114.6
203A43.1Very low44.5Very low98 Ų98119.8 Ų119.881%0.8166%0.663SS**THydrogen-bonded Turntrans-79.6-16.8176.200000114.4F201F201-A203 PolarHBondContact O-N 2.75Å
204Y41.3Very low44.7Very low160 Ų160121 Ų12163%0.62767%0.666SS**SBendtrans-86-17.2-172.9-156.4-106.8000113.5F201 A206 T208F201-Y204 PolarHBondContact O-N 2.99Å; Y204-A206 PolarHBondContact O-N 3.42Å; Y204-T208 HydrophobicContact CD1-CG2 3.72Å; Y204-T208 HydrophobicContact CE1-CG2 3.48Å; Y204-T208 VanDerWaalsContact CE1-CG2 3.48Å; Y204-T208 PolarHBondContact O-OG1 3.37Å
205N44.7Very low45.5Very low108 Ų108115.9 Ų115.958%0.57865%0.647SS**Hα-helixtrans-72.2-27.7-163-133.427.6000114.8T208 Q209N205-T208 PolarHBondContact O-OG1 3.43Å; N205-Q209 WeakPolarHBondContact O-CB 3.33Å; N205-Q209 PolarHBondContact O-N 3.09Å
206A46.7Very low46.4Very low84 Ų84116.7 Ų116.769%0.69465%0.648SS**Hα-helixtrans-69.7-34.7-175.200000113.1Y204Y204-A206 PolarHBondContact O-N 3.42Å
207Y48Very low47.2Very low178 Ų178117.1 Ų117.170%0.69864%0.639SS**Hα-helixtrans-80.2-42.5-178.6-171.4-101.7000111.9A210 V211Y207-A210 PolarHBondContact O-N 3.25Å; Y207-V211 HydrophobicContact CD1-CG2 4.44Å; Y207-V211 HydrophobicContact CE1-CG2 4.11Å; Y207-V211 WeakPolarHBondContact O-CG2 3.32Å; Y207-V211 PolarHBondContact O-N 3.12Å
208T48.8Very low48.2Very low40 Ų40115.7 Ų115.725%0.24563%0.63CS.*Hα-helixtrans-68.1-34.6-179.947.60000113.1Y204 N205 N212Y204-T208 HydrophobicContact CD1-CG2 3.72Å; Y204-T208 HydrophobicContact CE1-CG2 3.48Å; Y204-T208 VanDerWaalsContact CE1-CG2 3.48Å; Y204-T208 PolarHBondContact O-OG1 3.37Å; N205-T208 PolarHBondContact O-OG1 3.43Å; T208-N212 WeakPolarHBondContact O-CB 3.28Å; T208-N212 PolarHBondContact O-N 3.03Å
209Q50.8Low48.8Very low144 Ų144116.3 Ų116.367%0.67362%0.623SS**Hα-helixtrans-65.4-40.3177.5-170.1171.650.400112.1N205 A213N205-Q209 WeakPolarHBondContact O-CB 3.33Å; N205-Q209 PolarHBondContact O-N 3.09Å; Q209-A213 VanDerWaalsContact O-CB 3.3Å; Q209-A213 WeakPolarHBondContact O-CB 3.2Å; Q209-A213 PolarHBondContact O-N 3.46Å
210A53.2Low49.3Very low60 Ų60112.8 Ų112.850%0.49662%0.616SS.*Hα-helixtrans-64.3-48.2176.500000112.1Y207 A213 Q214Y207-A210 PolarHBondContact O-N 3.25Å; A210-A213 PolarHBondContact O-N 3.38Å; A210-Q214 PolarHBondContact O-N 2.78Å; A210-Q214 VanDerWaalsContact O-N 3.15Å
211V54Low49.9Very low64 Ų64112 Ų11239%0.38861%0.611SS.*Hα-helixtrans-64.5-43.6-179.4176.20000111.7Y207 Q214 L215Y207-V211 HydrophobicContact CD1-CG2 4.44Å; Y207-V211 HydrophobicContact CE1-CG2 4.11Å; Y207-V211 WeakPolarHBondContact O-CG2 3.32Å; Y207-V211 PolarHBondContact O-N 3.12Å; V211-Q214 PolarHBondContact O-N 3.42Å; V211-L215 PolarHBondContact O-N 2.8Å; V211-L215 VanDerWaalsContact O-N 3.08Å
212N54.4Low50.5Low102 Ų102110.6 Ų110.655%0.54561%0.614SS.*Hα-helixtrans-68.5-36178.6-77.9-15.1000112.8T208 Q214 L215 V216T208-N212 WeakPolarHBondContact O-CB 3.28Å; T208-N212 PolarHBondContact O-N 3.03Å; N212-Q214 VanDerWaalsContact C-N 3.34Å; N212-Q214 PolarHBondContact O-N 3.46Å; N212-L215 PolarHBondContact O-N 3.12Å; N212-V216 WeakPolarHBondContact O-CG2 3.09Å; N212-V216 PolarHBondContact O-N 3.33Å
213A56.6Low50.5Low60 Ų60108.8 Ų108.850%0.49661%0.609SS.*Hα-helixtrans-61.6-42.8174.400000111.7Q209 A210 L215 V216 Q217Q209-A213 VanDerWaalsContact O-CB 3.3Å; Q209-A213 WeakPolarHBondContact O-CB 3.2Å; Q209-A213 PolarHBondContact O-N 3.46Å; A210-A213 PolarHBondContact O-N 3.38Å; A213-L215 VanDerWaalsContact C-N 3.34Å; A213-L215 PolarHBondContact O-N 3.01Å; A213-V216 PolarHBondContact O-N 2.91Å; A213-Q217 PolarHBondContact O-N 3.46Å
214Q54.1Low50.7Low146 Ų146113 Ų11368%0.68261%0.612SS**Hα-helixtrans-66.3-35.3177.6-167.8169.6-2.100112.5A210 V211 N212 Q218A210-Q214 PolarHBondContact O-N 2.78Å; A210-Q214 VanDerWaalsContact O-N 3.15Å; V211-Q214 PolarHBondContact O-N 3.42Å; N212-Q214 VanDerWaalsContact C-N 3.34Å; N212-Q214 PolarHBondContact O-N 3.46Å; Q214-Q218 PolarHBondContact O-N 2.98Å
215L55.7Low50.7Low94 Ų94110 Ų11049%0.49262%0.615SS.*Hα-helixtrans-69.2-41.9176.2-126.4163.2000112.4V211 N212 A213 Q218 Q219V211-L215 PolarHBondContact O-N 2.8Å; V211-L215 VanDerWaalsContact O-N 3.08Å; N212-L215 PolarHBondContact O-N 3.12Å; A213-L215 VanDerWaalsContact C-N 3.34Å; A213-L215 PolarHBondContact O-N 3.01Å; L215-Q218 PolarHBondContact O-N 3.44Å; L215-Q219 PolarHBondContact O-N 2.81Å
216V55.7Low50.7Low103 Ų103108.9 Ų108.962%0.62462%0.62SS**Hα-helixtrans-65-41.6174.8170.10000111.3N212 A213 Q218 Q219 A220N212-V216 WeakPolarHBondContact O-CG2 3.09Å; N212-V216 PolarHBondContact O-N 3.33Å; A213-V216 PolarHBondContact O-N 2.91Å; V216-Q218 VanDerWaalsContact C-N 3.27Å; V216-Q218 PolarHBondContact O-N 3.02Å; V216-Q219 PolarHBondContact O-N 2.94Å; V216-A220 PolarHBondContact O-N 2.86Å
217Q56.5Low50.8Low143 Ų143115.6 Ų115.667%0.66863%0.629SS**Hα-helixtrans-64.4-32.3177.6-168.5170.79.700112.4A213 A220A213-Q217 PolarHBondContact O-N 3.46Å; Q217-A220 PolarHBondContact O-N 2.82Å
218Q54.4Low50.4Low141 Ų141115.5 Ų115.566%0.65964%0.64SS**Hα-helixtrans-69-31.1176.2-171.4162.89200113.1Q214 L215 V216Q214-Q218 PolarHBondContact O-N 2.98Å; L215-Q218 PolarHBondContact O-N 3.44Å; V216-Q218 VanDerWaalsContact C-N 3.27Å; V216-Q218 PolarHBondContact O-N 3.02Å
219Q51.2Low50Low146 Ų146118 Ų11868%0.68266%0.659SS**Hα-helixtrans-75.7-29.1174.6-79.1-174.8-25.600113.5L215 V216 L221 V222L215-Q219 PolarHBondContact O-N 2.81Å; V216-Q219 PolarHBondContact O-N 2.94Å; Q219-L221 VanDerWaalsContact C-N 3.27Å; Q219-L221 PolarHBondContact O-N 3.45Å; Q219-V222 PolarHBondContact O-N 3.41Å
220A49Very low49.7Very low72 Ų72116.6 Ų116.660%0.59566%0.662SS**Hα-helixtrans-63.6-31.3178.200000113.4V216 Q217 V222V216-A220 PolarHBondContact O-N 2.86Å; Q217-A220 PolarHBondContact O-N 2.82Å; A220-V222 VanDerWaalsContact C-N 3.31Å; A220-V222 PolarHBondContact O-N 3.08Å
221L49.2Very low49.3Very low136 Ų136120 Ų12071%0.71268%0.677SS**G310 helixtrans-73-18.4-178.7-75.7157.8000114Q219 A223Q219-L221 VanDerWaalsContact C-N 3.27Å; Q219-L221 PolarHBondContact O-N 3.45Å; L221-A223 VanDerWaalsContact C-N 3.3Å; L221-A223 PolarHBondContact O-N 2.79Å
222V48.8Very low48.9Very low121 Ų121120.5 Ų120.573%0.73369%0.688SS**G310 helixtrans-82.9-9.8-177.5-158.10000112.2Q219 A220Q219-V222 PolarHBondContact O-N 3.41Å; A220-V222 VanDerWaalsContact C-N 3.31Å; A220-V222 PolarHBondContact O-N 3.08Å
223A45.1Very low48.6Very low84 Ų84120.4 Ų120.469%0.69469%0.691SS**G310 helixtrans-88.5-8.8-173.600000115.3L221L221-A223 VanDerWaalsContact C-N 3.3Å; L221-A223 PolarHBondContact O-N 2.79Å
224Q46.8Very low48Very low187 Ų187122.9 Ų122.987%0.87470%0.699SS**SBendtrans-134.752.4-175.7-71.2-161.7-300114.9
225S40.8Very low47.5Very low98 Ų98119.5 Ų119.569%0.68570%0.697SS**  trans-160.379.4151.8620000112.2
226A45.8Very low46.9Very low83 Ų83118.8 Ų118.869%0.68670%0.704SS**  trans-65.4151.6149.900000108.7
227Y48.5Very low46.5Very low225 Ų225119.1 Ų119.188%0.88271%0.706SS**  trans67.895.3-176.3-48.2-81.7000115.8
228L38.8Very low45.9Very low177 Ų177120.4 Ų120.493%0.92771%0.712SS**  -175.2165.9126.4-97.4165.4000110.9
229S39.8Very low45.6Very low92 Ų92122.3 Ų122.364%0.64372%0.723SS**  trans-84.8156.7-161.7-58.80000115.7V231S229-V231 VanDerWaalsContact C-N 3.33Å; S229-V231 PolarHBondContact O-N 3.2Å
230P45.7Very low45.4Very low115 Ų115123.7 Ų123.775%0.74773%0.73SS**THydrogen-bonded Turntrans-71.8-3.3-159.2-22.135.2000118.8
231V43.4Very low45.2Very low131 Ų131128.8 Ų128.879%0.79474%0.741SS**THydrogen-bonded Turntrans-83.5-23.7-170156.10000113.9S229S229-V231 VanDerWaalsContact C-N 3.33Å; S229-V231 PolarHBondContact O-N 3.2Å
232A46.7Very low44.8Very low75 Ų75131.4 Ų131.462%0.6275%0.752SS**SBendtrans-78.4-28.1-17600000114.1V234 A235A232-V234 VanDerWaalsContact C-N 3.31Å; A232-V234 PolarHBondContact O-N 2.83Å; A232-A235 PolarHBondContact O-N 2.94Å
233T46.9Very low44.6Very low99 Ų99130.3 Ų130.361%0.60776%0.756SS**Hα-helixtrans-66.4-29.1-165.3-340000113.8
234V45.8Very low44.3Very low112 Ų112130.8 Ų130.868%0.67976%0.759SS**Hα-helixtrans-73.7-27.4-176.5-64.80000113.6A232A232-V234 VanDerWaalsContact C-N 3.31Å; A232-V234 PolarHBondContact O-N 2.83Å
235A42.1Very low43.9Very low76 Ų76130.1 Ų130.163%0.62876%0.761SS**Hα-helixtrans-74.6-34-177.200000112.9A232 V237A232-A235 PolarHBondContact O-N 2.94Å; A235-V237 PolarHBondContact O-N 3.24Å
236A44Very low43.8Very low78 Ų78133 Ų13365%0.64577%0.769SS**Hα-helixtrans-70.7-29.5-176.400000113.5
237V47.2Very low43.2Very low110 Ų110133.8 Ų133.867%0.66778%0.776SS**Hα-helixtrans-76.6-29.2-174.4-179.80000112.4A235 M239A235-V237 PolarHBondContact O-N 3.24Å; V237-M239 PolarHBondContact O-N 2.96Å
238Q44.8Very low42.6Very low170 Ų170131 Ų13179%0.79478%0.776SS**THydrogen-bonded Turntrans-79.9-16.6-168.1-163.4166.9500114.5
239M47.1Very low42.3Very low181 Ų181126.3 Ų126.389%0.89277%0.77SS**THydrogen-bonded Turntrans-91-4.1-171.9-151.4170.3-169.800115.2V237V237-M239 PolarHBondContact O-N 2.96Å
240Q47.8Very low41.9Very low175 Ų175129.9 Ų129.982%0.81878%0.78SS**SBendtrans-107.613.7-170.6-157157.73.500115.4
241Q44.4Very low41.2Very low180 Ų180132.7 Ų132.784%0.84179%0.787SS**SBendtrans-97.90.3-176.9-82.5-171.4-14.400116.6
242M41.2Very low40.6Very low191 Ų191130.2 Ų130.294%0.94178%0.781SS**SBendtrans-109.322-173.3-159.4168.8-84.100115
243A43.7Very low39.8Very low98 Ų98133.1 Ų133.181%0.8179%0.791SS**SBendtrans-130.930.8-172.400000114.9
244A38.8Very low39.3Very low93 Ų93133.6 Ų133.677%0.76980%0.795SS**  trans-139.753-173.300000114.4
245L37.9Very low38.7Very low174 Ų174135.7 Ų135.791%0.91180%0.801SS**  trans-133.1146.6162.8-75.3177.8000110.7
246N39.9Very low38.2Very low157 Ų157138.8 Ų138.884%0.8481%0.813SS**  trans67.6100.7-177.1-166.629.3000116.6
247A32.8Very low38.2Very low101 Ų101140.4 Ų140.484%0.83582%0.816SS**  trans-144.495164.500000110
248N35Very low37.5Very low167 Ų167143.7 Ų143.789%0.89383%0.828SS**  trans-153.387.9167.7-133.5-6.2000109.9
249G32.4Very low36.9Very low78 Ų78142 Ų14280%0.80483%0.83SS**  trans174.1124.2-177.300000111.1
250I32.5Very low36.4Very low166 Ų166139 Ų13985%0.85182%0.824SS**  trans-105.3137.1-179.1-61.8173.4000109
251I31.2Very low35.5Very low175 Ų175136.6 Ų136.690%0.89783%0.826SS**  trans172.7161.2145.7-86149.5000106.8
252A30.6Very low34.9Very low79 Ų79134.1 Ų134.165%0.65383%0.829SS**  trans-128.9178.5-155.600000116.7
253T29.9Very low34.4Very low136 Ų136128.2 Ų128.283%0.83482%0.817SS**  trans89.5165.4168.8810000115.9
254P35.7Very low33.7Very low108 Ų108130 Ų13070%0.70182%0.818SS**  -137.2145.7-95.435.1-13.9000119.2
255I34.8Very low33.2Very low156 Ų156132.1 Ų132.180%0.882%0.817SS**  trans43121.1142.3-52.3174.5000120.9
256T30Very low33Very low142 Ų142130.1 Ų130.187%0.87181%0.812SS**  trans-163.8150.2132.150000111.7
257P45.3Very low33.7Very low111 Ų111128 Ų12872%0.72181%0.807SS**  trans-117.1163.2-171.441.3-32000115.9
258I32Very low34.4Very low179 Ų179129.3 Ų129.392%0.91881%0.806SS**  trans-147.5163.2162.422.3173.3000112.1
259T32.5Very low34.4Very low134 Ų134127.5 Ų127.582%0.82280%0.802SS**  trans-103.3163.5-160.839.90000115.9
260P35.5Very low34.7Very low119 Ų119131.4 Ų131.477%0.77380%0.802SS**  trans-90.6171.7178.636.9-36.3000114.9
261S28.9Very low34.5Very low124 Ų124127.3 Ų127.387%0.86779%0.794SS**  trans-154.2171.7171.1-78.60000111.7
262S32.2Very low34.5Very low128 Ų128123 Ų12390%0.89578%0.784SS**  trans-133.2157.4-149.2-47.90000117.3
263G30.7Very low34.5Very low68 Ų68125.6 Ų125.670%0.70179%0.792SS**  trans96.6163.2160.400000117.5
264T28.6Very low35.4Very low134 Ų134124.9 Ų124.982%0.82279%0.79SS**  cis-166.6135.2-12.319.10000112.9
265N29.7Very low35.5Very low139 Ų139126.3 Ų126.374%0.74380%0.796SS**  trans37.7109.5147.9-63.9-21.8000127
266T32.4Very low36Very low131 Ų131125 Ų12580%0.80480%0.798SS**  73.4178.9125.973.80000121.3
267P54.9Low36.2Very low114 Ų114123 Ų12374%0.7480%0.795SS**  -132.5-176.9-104.140.3-18000116.6
268P48.3Very low35.7Very low127 Ų127125.4 Ų125.483%0.82580%0.801SS**  -148.4-173.399.237-17.1000116.4
269T34.5Very low36.7Very low129 Ų129122.4 Ų122.479%0.79179%0.793SS**  trans-79.7-175.7-172.627.20000115.6
270I37.8Very low37.4Very low160 Ų160122.2 Ų122.282%0.82179%0.794SS**  cis-158.1-170.132.9-8.6173.5000109.8
271A28.7Very low37.3Very low81 Ų81121 Ų12167%0.66979%0.793SS**  cis-164.7172.5100000112.4
272A30.9Very low37.3Very low85 Ų85123.9 Ų123.970%0.70280%0.799SS**  trans46.5121.714800000122.6
273T31.8Very low37.3Very low133 Ų133121.2 Ų121.282%0.81679%0.791SS**  cis94158.239.261.60000115.6
274P49.3Very low37.2Very low121 Ų121124.2 Ų124.279%0.78680%0.795SS**  cis-137.6-165.5-34.537.7-18000115
275V37.4Very low37.3Very low137 Ų137124.8 Ų124.883%0.8379%0.793SS**  trans-113.3162.9174.1-71.90000113.8
276P45.8Very low37.4Very low129 Ų129121 Ų12184%0.83879%0.787SS**  trans-116.8177.9170.340.6-30.5000115.3
277A34Very low37.5Very low99 Ų99125.1 Ų125.182%0.81879%0.789SS**  trans-142.4176.9-174.700000115.5
278I34.4Very low36.5Very low163 Ų163124.7 Ų124.784%0.83679%0.789SS**  trans-62167.417822.8171.9000114.5
279P51.9Low35.6Very low116 Ų116123.8 Ų123.875%0.75379%0.785SS**  cis-130.1-150.429.243-22.3000112.8
280P47.9Very low35.6Very low130 Ų130123.9 Ų123.984%0.84479%0.786SS**  cis-131.9-116.2-0.840.7-17.3000116.8
281A32.3Very low35.9Very low92 Ų92121.8 Ų121.876%0.7678%0.782SS**  trans-153.9163.1-155.400000116.3
282L30.3Very low36.2Very low186 Ų186122 Ų12297%0.97478%0.784SS**  trans-176.7132.4152.2-107.6171.4000115.6
283G31.7Very low36.9Very low71 Ų71124.1 Ų124.173%0.73279%0.79SS**  trans70.6164.4153.700000121.4
284V29Very low36.8Very low131 Ų131124.2 Ų124.279%0.79479%0.791SS**  cis-165.7154.9-31.71050000111.5
285N31.4Very low35.9Very low147 Ų147126.3 Ų126.379%0.78680%0.796SS**  trans64140.9173.4-74.5-10.1000119.8
286G30.1Very low35.5Very low58 Ų58123 Ų12360%0.59879%0.79SS**  cis166.5155.2-11.600000115.3
287Y34.4Very low34.6Very low219 Ų219124.6 Ų124.686%0.85979%0.786SS**  trans62.7149170-54-85.8000116.2
288S34.4Very low34.3Very low105 Ų105127.4 Ų127.473%0.73478%0.782SS**  cis-167.2163.4-7.8-105.50000107.5
289S30Very low33.9Very low107 Ų107125.9 Ų125.975%0.74878%0.781SS**  cis-161.2-163.3-7.2550000110.4
290V33.1Very low32.5Very low132 Ų132127.8 Ų127.880%0.878%0.779SS**  trans-111.3-178.7178.8-660000110.1
291P45.3Very low31.6Very low116 Ų116126.4 Ų126.475%0.75377%0.769SS**  cis-142.4-176.811.145.5-26.5000118
292A34.8Very low31.4Very low85 Ų85128.8 Ų128.870%0.70277%0.768SS**  trans-90.4167.6157.400000111.4
293P46.3Very low31.4Very low129 Ų129129.2 Ų129.284%0.83876%0.758SS**  trans-132.6-173.8132.438.7-29.3000113.3
294T29.8Very low31.1Very low135 Ų135131.5 Ų131.583%0.82876%0.758SS**  trans-118.1176.3-161.950.40000114.2
295N28.5Very low31.1Very low165 Ų165131.7 Ų131.788%0.88275%0.754SS**  trans94.6148.6149.3-155.924.4000118.9
296G29.4Very low30.9Very low69 Ų69127.6 Ų127.671%0.71175%0.747SS**  trans142.8138.8174.500000114.9
297Q27.3Very low30.9Very low162 Ų162130.7 Ų130.776%0.75775%0.754SS**  trans-130.3148.3-179.4-76.1172.9-113.200112.5
298Q27.2Very low31Very low158 Ų158128 Ų12874%0.73875%0.749SS**  trans48.1139143.9-66.3171.9-47.500122.2
299T25.9Very low30.5Very low130 Ų130127.8 Ų127.880%0.79874%0.743SS**  trans66.5154.9155.537.70000117.3
300E24.1Very low30.4Very low156 Ų156134 Ų13473%0.72975%0.752SS**  cis-151.8149.24.6-129.7-172.4108.700112.8
301T28.6Very low30Very low102 Ų102136.3 Ų136.363%0.62675%0.754SS**  trans20.7177137.859.70000125.7
302L27.2Very low29.1Very low142 Ų142134.8 Ų134.874%0.74375%0.751SS**  trans77.1143.2176.8-6777.9000117.3
303Y30.2Very low28.7Very low195 Ų195139.7 Ų139.777%0.76576%0.76SS**  cis-148159.5-10.3-130.8-140.4000107.4
304T25.9Very low27.9Very low118 Ų118138.6 Ų138.672%0.72476%0.755SS**  169.7162.464.5-139.50000106.1
305N28.3Very low28.4Very low135 Ų135138.6 Ų138.672%0.72276%0.757SS**  cis-164.2176.1-13.1-161.2-7.3000108.2
306G28.6Very low28.4Very low61 Ų61135.3 Ų135.363%0.62975%0.753SS**  trans93.392.5166.500000115.1
307V29.2Very low28.5Very low123 Ų123137 Ų13775%0.74576%0.76SS**  67.312854.3-172.70000111.1
308H36Very low28.5Very low163 Ų163133.2 Ų133.276%0.75576%0.757SS**  cis-130.3-138.820.1-143.8-47.5000114.5
309T24.9Very low28.6Very low100 Ų100134 Ų13461%0.61377%0.765SS**  trans-154.1155.6-165.750.40000112.1
310Y27.7Very low28.9Very low238 Ų238134.8 Ų134.893%0.93376%0.764SS**  trans-163.5173.8139.5-97.4-59.9000111.2
311Q24.1Very low29.7Very low181 Ų181132.4 Ų132.485%0.84676%0.762SS**  trans-148.9167.5-154.5-173.7-178.9-8.100112.6
312A27.3Very low29.8Very low84 Ų84134.7 Ų134.769%0.69477%0.77SS**  trans75154.5162.500000117.9
313Q26.6Very low30.1Very low188 Ų188134.4 Ų134.488%0.87977%0.765SS**  cis-163.5173-28.4-162.5159.310.200109.5
314S29.2Very low30.4Very low105 Ų105133 Ų13373%0.73477%0.766SS**  trans-71.6169.9-172.8-36.10000116
315P41Very low30.4Very low136 Ų136131.2 Ų131.288%0.88376%0.762SS**  -131.1-163.1102.138.7-29.7000114
316A28.5Very low30.6Very low96 Ų96136.1 Ų136.179%0.79377%0.772SS**  trans-143.4-169.3-153.600000115.7
317A30.4Very low30.7Very low103 Ų103137.7 Ų137.785%0.85178%0.779SS**  trans79.5156.517300000117.4
318A28.6Very low30.7Very low84 Ų84135 Ų13569%0.69478%0.776SS**  cis-170.9167.6-30.100000110.7
319L29.3Very low30.4Very low175 Ų175135.7 Ų135.792%0.91678%0.782SS**  trans74.3135.9155.7-72.7157.3000121.6
320D31.8Very low30.6Very low145 Ų145137.7 Ų137.778%0.77579%0.785SS**  trans-80.4170.5153.8-139.4-114000108.3
321P40.5Very low30.7Very low106 Ų106133.6 Ų133.669%0.68877%0.774SS**  cis-145.1-171.519.245.7-25.5000117.2
322L31.5Very low30.9Very low150 Ų150134.9 Ų134.979%0.78577%0.772SS**  trans14.9145.8149-137.876.7000122.5
323Q32.1Very low30.9Very low136 Ų136136.5 Ų136.564%0.63677%0.773SS**  133.6117.5127.8-163.976.942.100116.8
324Q36.8Very low31Very low167 Ų167132.3 Ų132.378%0.7877%0.771SS**  trans60.2162.2159.1-74.5167.8-99.100119.5
325A26.7Very low30.9Very low79 Ų79131.1 Ų131.165%0.65377%0.767SS**  cis-171.7159.2-31.200000109.8
326Y30.9Very low30.3Very low238 Ų238135.3 Ų135.393%0.93377%0.767SS**  trans-161.2165.6147-133.4-94.5000112.8
327A30.8Very low30.9Very low94 Ų94136.7 Ų136.778%0.77777%0.768SS**  trans-147.9170.1-171.900000114.3
328G30.4Very low31.3Very low66 Ų66136.5 Ų136.568%0.6877%0.767SS**  trans131.7123.7178.600000110.8
329M29.5Very low31.4Very low179 Ų179136.7 Ų136.788%0.88277%0.768SS**  67133.853.7-61.7-172.969.800113.3
330Q30.1Very low31.6Very low142 Ų142139.7 Ų139.766%0.66477%0.769SS**  cis-165.5-172-2.6-113-68.93.900109.5
331H27.7Very low31.5Very low152 Ų152135.8 Ų135.870%0.70476%0.763SS**  trans81.7157.1165-53.7-91.5000117.9
332Y29.7Very low31Very low208 Ų208138.9 Ų138.982%0.81677%0.773SS**  cis-135.2174.17.1-138.3-81000112.7
333T26.6Very low31Very low117 Ų117138.4 Ų138.472%0.71878%0.776SS**  trans-117.3154.7-175.6-178.20000113.9
334A28.2Very low30.9Very low101 Ų101135.6 Ų135.684%0.83578%0.784SS**  trans-159.8156.416400000111.8
335A27.4Very low30.7Very low79 Ų79135 Ų13565%0.65378%0.781SS**  trans-158151.2-157.400000117
336Y29.1Very low31.6Very low225 Ų225136.9 Ų136.988%0.88279%0.786SS**  trans61171.3162.3-74.4-68.5000117.7
337P41.4Very low31.6Very low124 Ų124132.9 Ų132.981%0.80577%0.774SS**  cis-122.5-169.51.141.5-25.8000115.4
338A37.8Very low32.4Very low100 Ų100133.5 Ų133.583%0.82677%0.77SS**  trans-138.7156.8177.500000112.2
339A30.9Very low32.5Very low88 Ų88137.4 Ų137.473%0.72777%0.771SS**  trans-161.6128.6-17900000114.4
340Y33Very low32.8Very low237 Ų237136.8 Ų136.893%0.92977%0.766SS**  trans42141.8158.9-61.8-85.5000122.2
341G30.4Very low33.4Very low63 Ų63135 Ų13565%0.64977%0.767SS**  cis160.6151.5-10.700000114.9
342L29.8Very low33.5Very low172 Ų172133.6 Ų133.690%0.90177%0.768SS**  trans62.8145163.3-68.8164000117.9
343V31.5Very low33.8Very low140 Ų140132.2 Ų132.285%0.84877%0.774SS**  cis-142.8165.416.9-72.10000112.5
344G31.1Very low34.2Very low77 Ų77132.5 Ų132.579%0.79478%0.776SS**  trans126134.7155.600000118.4
345Q32.4Very low34.4Very low154 Ų154131.4 Ų131.472%0.7277%0.767SS**  trans-149.5165.8176.8-90.1-100.6-4.900108.1
346P44.6Very low35Very low119 Ų119137.3 Ų137.377%0.77378%0.781SS**  cis-134-169.717.541.6-22.5000117.6
347F30.7Very low35.1Very low154 Ų154134.8 Ų134.868%0.67578%0.777SS**  trans-68.3173.5-177.7-91.3-109.9000115.7Q349F347-Q349 HydrophobicContact CD1-CG 4.25Å
348P48.4Very low34.7Very low107 Ų107137.3 Ų137.370%0.69578%0.778SS**  cis-139.2157.924.241.5-22.6000120.8
349Q33Very low34.4Very low147 Ų147142.1 Ų142.169%0.68778%0.783SS**  trans32.1141.5134-58.3174.8-11.600120.2F347F347-Q349 HydrophobicContact CD1-CG 4.25Å
350Q34.8Very low34.3Very low167 Ų167145.9 Ų145.978%0.7879%0.786SS**  cis-171.7174.74.5-113.1178.45.300107.5
351P42.2Very low34.4Very low105 Ų105140.4 Ų140.468%0.68278%0.779SS**  cis-127.7142.3-2536.2-19.7000114.6
352T29.5Very low34.4Very low121 Ų121146.5 Ų146.574%0.74279%0.791SS**  trans35.3108142.8-25.10000121.8V354T352-V354 HydrophobicContact CG2-CG2 3.55Å
353L37.2Very low34.9Very low179 Ų179146.6 Ų146.694%0.93779%0.787SS**  trans-76.9141.1149.9-67.9169.2000110.2
354V34.1Very low35.4Very low123 Ų123148.8 Ų148.875%0.74579%0.788SS**  trans-137.8139.4175.9-168.10000111.9T352T352-V354 HydrophobicContact CG2-CG2 3.55Å
355A32.6Very low36.1Very low79 Ų79154.1 Ų154.165%0.65379%0.792SS**  trans5688.8165.700000118.1Q357A355-Q357 PolarHBondContact O-N 3.44Å
356Q39.8Very low37.4Very low203 Ų203149.6 Ų149.695%0.94977%0.771SS**  trans-58.9128.2135.9-72.3178.2-22.600108.4
357Q32.2Very low38.8Very low171 Ų171149.9 Ų149.980%0.79976%0.757SS**  trans-137.8111.7167.6-160.9171.9105.300110.8A355A355-Q357 PolarHBondContact O-N 3.44Å
358H32.1Very low41.1Very low178 Ų178147 Ų14782%0.82475%0.745SS**  trans11110.8165.4-68.286.8000118.4Q360H358-Q360 PolarHBondContact O-N 2.92Å
359Q31.6Very low42.5Very low200 Ų200142.5 Ų142.594%0.93572%0.718SS**  trans-66.796.5168.5-69.3175.9-12.600111.2
360Q29.9Very low44.9Very low167 Ų167139 Ų13978%0.7871%0.707SS**  trans-73.2149.1153.7-68-173.71.900109.2H358 Q362H358-Q360 PolarHBondContact O-N 2.92Å; Q360-Q362 PolarHBondContact O-N 3.46Å; Q360-Q362 VanDerWaalsContact O-N 3.17Å
361P33.7Very low47.2Very low123 Ų123138.6 Ų138.680%0.79971%0.706SS**  trans-61.2121.1-176.223.8-33.9000110.9Q363P361-Q363 PolarHBondContact O-N 2.9Å
362Q31.7Very low49.2Very low191 Ų191135.1 Ų135.189%0.89369%0.689SS**  trans-61.6108-175.9-70.3-178.7-8.300111.1Q360Q360-Q362 PolarHBondContact O-N 3.46Å; Q360-Q362 VanDerWaalsContact O-N 3.17Å
363Q40.7Very low52.2Low173 Ų173129.5 Ų129.581%0.80865%0.654SS**  trans-59.1138.9155.5-62.6-18014.600107.6P361 Q365P361-Q363 PolarHBondContact O-N 2.9Å; Q363-Q365 PolarHBondContact O-N 2.6Å
364Q41.8Very low54.9Low186 Ų186121.8 Ų121.887%0.86961%0.614SS**  trans-51.6115-178.4-71173.2-18.100109.6Q366Q364-Q366 PolarHBondContact O-N 3.05Å
365Q46.2Very low57.8Low190 Ų190115.9 Ų115.989%0.88858%0.579SS**  trans-69.9102.2-166.8-162.516548.500109.6Q363 R367Q363-Q365 PolarHBondContact O-N 2.6Å; Q365-R367 PolarHBondContact O-N 3.02Å; Q365-R367 VanDerWaalsContact O-N 3.16Å
366Q59.7Low60.8Low58 Ų58113.9 Ų113.927%0.27156%0.555SS.*  trans-53.2118.2-179.1-163.3108.496.100108.7Q364 E368 K403Q364-Q366 PolarHBondContact O-N 3.05Å; Q366-E368 VanDerWaalsContact C-N 3.34Å; Q366-E368 HydrophobicContact CB-CG 4.37Å; Q366-E368 HydrophobicContact CG-CG 4.34Å; Q366-E368 PolarHBondContact O-N 2.68Å; Q366-K403 VanDerWaalsContact NE2-CB 3.34Å
367R72.7Confident63.4Low126 Ų126104.2 Ų104.248%0.47551%0.51SS..  trans-72.496.5169.7-84.2-177.1161.6172.1-9107.8T44 M46 Q365 I400 S401T44-R367 VanDerWaalsContact CG2-NH1 3.35Å; T44-R367 PolarHBondContact OG1-NH1 3.31Å; M46-R367 PolarHBondContact SD-NH2 2.74Å; Q365-R367 PolarHBondContact O-N 3.02Å; Q365-R367 VanDerWaalsContact O-N 3.16Å; R367-I400 HydrophobicContact CB-CG2 3.73Å; R367-I400 WeakPolarHBondContact O-CG2 3.28Å; R367-S401 WeakPolarHBondContact O-CB 3.31Å; R367-S401 PolarHBondContact O-OG 2.87Å
368E79.6Confident66.4Low94 Ų94100 Ų10044%0.43949%0.487SS..  trans-79.3145.6172.6-47.1-155.6147.500109Q366 K449Q366-E368 VanDerWaalsContact C-N 3.34Å; Q366-E368 HydrophobicContact CB-CG 4.37Å; Q366-E368 HydrophobicContact CG-CG 4.34Å; Q366-E368 PolarHBondContact O-N 2.68Å; E368-K449 IonicContact OE1-NZ 2.6Å; E368-K449 PolarHBondContact OE1-NZ 3.47Å; E368-K449 IonicContact OE2-NZ 2.69Å; E368-K449 PolarHBondContact OE2-NZ 3.42Å
369G78.6Confident69.2Low11 Ų1195.5 Ų95.511%0.11347%0.466CS..  trans-76.8-179.7174.500000111.7N374G369-N374 PolarHBondContact N-OD1 3.16Å; G369-N374 PolarHBondContact O-ND2 3.25Å
370P82.4Confident72.1Confident73 Ų7386.1 Ų86.147%0.47442%0.423SS..SBendtrans-57165.8173.5-17.628.5000112.4C373 N374P370-C373 WeakPolarHBondContact O-CB 3.32Å; P370-C373 PolarHBondContact O-N 3.27Å; P370-C373 PolarHBondContact O-SG 2.94Å; P370-N374 PolarHBondContact O-ND2 2.74Å
371E82.6Confident74.9Confident160 Ų16079.1 Ų79.175%0.74839%0.392SS*.THydrogen-bonded Turntrans-56.9145.3174.4-60.8-152.412700111.5C373 P451E371-C373 PolarHBondContact O-N 2.92Å; E371-C373 VanDerWaalsContact O-N 3.12Å; E371-C373 PolarHBondContact O-SG 3.16Å; E371-P451 WeakPolarHBondContact OE1-CB 3.42Å
372G85.6Confident77.3Confident32 Ų3278.5 Ų78.533%0.3338%0.378SS..THydrogen-bonded Turntrans71-7.6-171.900000115.8A427 L448G372-A427 WeakPolarHBondContact O-CB 3.35Å; G372-L448 VanDerWaalsContact O-CD2 3.24Å; G372-L448 WeakPolarHBondContact O-CD2 3.47Å
373C91.8Very high79.9Confident2 Ų276.5 Ų76.51%0.01437%0.369CS..  trans-95.4-10.7179.7-47.80000113.2P370 E371 F421 P424P370-C373 WeakPolarHBondContact O-CB 3.32Å; P370-C373 PolarHBondContact O-N 3.27Å; P370-C373 PolarHBondContact O-SG 2.94Å; E371-C373 PolarHBondContact O-N 2.92Å; E371-C373 VanDerWaalsContact O-N 3.12Å; E371-C373 PolarHBondContact O-SG 3.16Å; C373-F421 HydrophobicContact CB-CB 4.48Å; C373-F421 VanDerWaalsContact CB-O 3.26Å; C373-F421 WeakPolarHBondContact CB-O 3.29Å; C373-F421 PolarHBondContact O-N 3.44Å; C373-P424 VanDerWaalsContact SG-CD 3.55Å
374N93.1Very high82Confident17 Ų1770.3 Ų70.39%0.09134%0.339CS..EExtended strand (participates in β ladder)trans-96.4128.4-177.7-60.6-58.6000110.5G369 P370 S420 K449G369-N374 PolarHBondContact N-OD1 3.16Å; G369-N374 PolarHBondContact O-ND2 3.25Å; P370-N374 PolarHBondContact O-ND2 2.74Å; N374-S420 WeakPolarHBondContact OD1-CB 3.46Å; N374-S420 PolarHBondContact OD1-OG 3.2Å; N374-K449 HydrophobicContact CB-CB 3.81Å; N374-K449 HydrophobicContact CB-CD 4.08Å; N374-K449 WeakPolarHBondContact O-CB 3.41Å; N374-K449 PolarHBondContact O-N 3.25Å
375I94.9Very high84.3Confident0 Ų064 Ų640%032%0.315CS..EExtended strand (participates in β ladder)trans-119.2151177.461.2165.2000111.7I377 F393 F418 V419 F421 A427 A430 I431 V446 Q447 L448I375-I377 HydrophobicContact CD1-CD1 3.83Å; I375-I377 HydrophobicContact CD1-CG1 4.41Å; I375-I377 HydrophobicContact CG1-CD1 3.95Å; I375-F393 HydrophobicContact CD1-CD1 3.96Å; I375-F393 HydrophobicContact CD1-CE1 3.74Å; I375-F393 HydrophobicContact CD1-CZ 4.25Å; I375-F418 WeakPolarHBondContact O-CA 3.24Å; I375-V419 HydrophobicContact CD1-CB 4.1Å; I375-V419 HydrophobicContact CD1-CG1 4.42Å; I375-V419 HydrophobicContact CG1-CB 3.77Å; I375-V419 HydrophobicContact CG1-CG1 4.31Å; I375-V419 VanDerWaalsContact CG1-O 3.29Å; I375-V419 WeakPolarHBondContact CG1-O 3.44Å; I375-V419 PolarHBondContact N-O 3.01Å; I375-V419 PolarHBondContact O-N 3.08Å; I375-F421 HydrophobicContact CD1-CE2 3.77Å; I375-F421 HydrophobicContact CG1-CE2 4.16Å; I375-A427 HydrophobicContact CG2-CB 3.84Å; I375-A430 HydrophobicContact CD1-CB 3.93Å; I375-I431 HydrophobicContact CG2-CD1 3.85Å; I375-I431 HydrophobicContact CG2-CG1 3.96Å; I375-V446 HydrophobicContact CD1-CG1 3.83Å; I375-Q447 CarbonylContact C-O 3.53Å; I375-Q447 VanDerWaalsContact CA-O 3.26Å; I375-Q447 WeakPolarHBondContact CA-O 3.46Å; I375-Q447 WeakPolarHBondContact CB-O 3.35Å; I375-L448 HydrophobicContact CG2-CD2 4.23Å
376F95.5Very high86.5Confident36 Ų3657.5 Ų57.516%0.15829%0.287CS..EExtended strand (participates in β ladder)trans-117.8133.1176.3-168.1-138.8000109.7Y378 F416 G417 F418 Q447F376-Y378 HydrophobicContact CD1-CD2 4.28Å; F376-Y378 HydrophobicContact CD1-CE1 4.26Å; F376-Y378 AromaticContact CD1-CE2 3.59Å; F376-Y378 HydrophobicContact CD1-CE2 3.59Å; F376-Y378 AromaticContact CD1-CZ 3.59Å; F376-Y378 HydrophobicContact CE1-CD1 4.28Å; F376-Y378 HydrophobicContact CE1-CD2 4.46Å; F376-Y378 AromaticContact CE1-CE1 3.58Å; F376-Y378 HydrophobicContact CE1-CE1 3.58Å; F376-Y378 AromaticContact CE1-CE2 3.8Å; F376-Y378 HydrophobicContact CE1-CE2 3.8Å; F376-Y378 AromaticContact CE1-CZ 3.32Å; F376-Y378 WeakPolarHBondContact CE1-OH 3.21Å; F376-Y378 HydrophobicContact CZ-CE1 4.29Å; F376-F416 HydrophobicContact CE2-CB 4.48Å; F376-F416 AromaticContact CE2-CD2 3.52Å; F376-F416 HydrophobicContact CE2-CD2 3.52Å; F376-F416 HydrophobicContact CE2-CE2 4.11Å; F376-F416 HydrophobicContact CE2-CG 4.34Å; F376-F416 HydrophobicContact CZ-CB 4.39Å; F376-F416 AromaticContact CZ-CD2 3.59Å; F376-F416 HydrophobicContact CZ-CD2 3.59Å; F376-F416 HydrophobicContact CZ-CE2 4.06Å; F376-F416 HydrophobicContact CZ-CG 4.16Å; F376-G417 WeakPolarHBondContact CD2-O 3.38Å; F376-F418 HydrophobicContact CB-CD1 4.02Å; F376-F418 HydrophobicContact CB-CE1 4.03Å; F376-F418 HydrophobicContact CD1-CE1 4.49Å; F376-F418 AromaticContact CD2-CD1 3.32Å; F376-F418 HydrophobicContact CD2-CD1 3.32Å; F376-F418 HydrophobicContact CD2-CD2 4.03Å; F376-F418 AromaticContact CD2-CE1 3.13Å; F376-F418 HydrophobicContact CD2-CE1 3.13Å; F376-F418 AromaticContact CD2-CE2 3.88Å; F376-F418 HydrophobicContact CD2-CE2 3.88Å; F376-F418 AromaticContact CD2-CG 3.78Å; F376-F418 HydrophobicContact CD2-CG 3.78Å; F376-F418 AromaticContact CD2-CZ 3.44Å; F376-F418 HydrophobicContact CD2-CZ 3.44Å; F376-F418 VanDerWaalsContact CD2-CZ 3.44Å; F376-F418 HydrophobicContact CE2-CD1 4.04Å; F376-F418 HydrophobicContact CE2-CD2 4.02Å; F376-F418 AromaticContact CE2-CE1 3.56Å; F376-F418 HydrophobicContact CE2-CE1 3.56Å; F376-F418 AromaticContact CE2-CE2 3.55Å; F376-F418 HydrophobicContact CE2-CE2 3.55Å; F376-F418 HydrophobicContact CE2-CG 4.25Å; F376-F418 AromaticContact CE2-CZ 3.29Å; F376-F418 HydrophobicContact CE2-CZ 3.29Å; F376-F418 AromaticContact CG-CD1 3.99Å; F376-F418 HydrophobicContact CG-CD1 3.99Å; F376-F418 AromaticContact CG-CE1 3.68Å; F376-F418 HydrophobicContact CG-CE1 3.68Å; F376-F418 HydrophobicContact CG-CZ 4.26Å; F376-F418 HydrophobicContact CZ-CE1 4.4Å; F376-F418 HydrophobicContact CZ-CE2 4.48Å; F376-F418 HydrophobicContact CZ-CZ 4.02Å; F376-Q447 PolarHBondContact N-O 2.93Å; F376-Q447 PolarHBondContact O-N 3.48Å
377I95.3Very high87.8Confident0 Ų058.4 Ų58.40%030%0.3CS..EExtended strand (participates in β ladder)trans-123.6125.2-174.4-58.3106.5000109.8I375 L380 M389 F393 F416 G417 V419 L444 K445 V446I375-I377 HydrophobicContact CD1-CD1 3.83Å; I375-I377 HydrophobicContact CD1-CG1 4.41Å; I375-I377 HydrophobicContact CG1-CD1 3.95Å; I377-L380 HydrophobicContact CB-CD2 4.47Å; I377-L380 HydrophobicContact CG2-CD2 3.62Å; I377-L380 HydrophobicContact CG2-CG 4.13Å; I377-M389 HydrophobicContact CB-CE 3.86Å; I377-M389 HydrophobicContact CD1-CE 3.42Å; I377-M389 VanDerWaalsContact CD1-CE 3.42Å; I377-M389 HydrophobicContact CG1-CE 4.17Å; I377-F393 HydrophobicContact CD1-CD2 4.45Å; I377-F393 HydrophobicContact CD1-CE2 3.77Å; I377-F393 HydrophobicContact CD1-CZ 3.92Å; I377-F393 HydrophobicContact CG1-CE2 3.92Å; I377-F393 HydrophobicContact CG1-CZ 3.75Å; I377-F416 CarbonylContact O-C 3.55Å; I377-F416 WeakPolarHBondContact O-CA 3.44Å; I377-F416 WeakPolarHBondContact O-CB 3.44Å; I377-G417 PolarHBondContact N-O 3.23Å; I377-G417 PolarHBondContact O-N 3.38Å; I377-V419 HydrophobicContact CD1-CB 4.08Å; I377-V419 HydrophobicContact CD1-CG2 3.9Å; I377-L444 HydrophobicContact CG2-CD2 4.17Å; I377-K445 WeakPolarHBondContact CA-O 3.42Å; I377-V446 HydrophobicContact CG1-CB 4.36Å; I377-V446 HydrophobicContact CG1-CG1 3.97Å; I377-V446 HydrophobicContact CG1-CG2 3.9Å; I377-V446 HydrophobicContact CG2-CG2 4.1Å
378Y94.3Very high88.7Confident83 Ų8356 Ų5633%0.32529%0.294SS..EExtended strand (participates in β ladder)trans-107.9162.7170.1-51.3-104.8000111.5F376 L380 C415 F416 L444 K445F376-Y378 HydrophobicContact CD1-CD2 4.28Å; F376-Y378 HydrophobicContact CD1-CE1 4.26Å; F376-Y378 AromaticContact CD1-CE2 3.59Å; F376-Y378 HydrophobicContact CD1-CE2 3.59Å; F376-Y378 AromaticContact CD1-CZ 3.59Å; F376-Y378 HydrophobicContact CE1-CD1 4.28Å; F376-Y378 HydrophobicContact CE1-CD2 4.46Å; F376-Y378 AromaticContact CE1-CE1 3.58Å; F376-Y378 HydrophobicContact CE1-CE1 3.58Å; F376-Y378 AromaticContact CE1-CE2 3.8Å; F376-Y378 HydrophobicContact CE1-CE2 3.8Å; F376-Y378 AromaticContact CE1-CZ 3.32Å; F376-Y378 WeakPolarHBondContact CE1-OH 3.21Å; F376-Y378 HydrophobicContact CZ-CE1 4.29Å; Y378-L380 VanDerWaalsContact C-N 3.33Å; Y378-C415 CarbonylContact C-O 3.53Å; Y378-F416 HydrophobicContact CD1-CB 4.42Å; Y378-L444 WeakPolarHBondContact O-CA 3.37Å; Y378-K445 HydrophobicContact CD2-CB 4.2Å; Y378-K445 HydrophobicContact CD2-CD 3.9Å; Y378-K445 HydrophobicContact CD2-CG 4.04Å; Y378-K445 HydrophobicContact CE2-CD 4.23Å; Y378-K445 PolarHBondContact N-O 3.44Å; Y378-K445 PolarHBondContact O-N 3.36Å; Y378-K445 VanDerWaalsContact O-N 3.09Å
379H92.4Very high89.3Confident83 Ų8351.5 Ų51.538%0.38427%0.273SS..  trans65.829.9177.8-43.9147.8000114.3C415 K442 R443 L444H379-C415 WeakPolarHBondContact CA-O 3.28Å; H379-C415 PolarHBondContact N-O 3.35Å; H379-K442 HydrophobicContact CB-CB 4.13Å; H379-K442 HydrophobicContact CB-CD 4.27Å; H379-R443 WeakPolarHBondContact CB-O 3.44Å; H379-R443 PolarHBondContact ND1-O 3.5Å; H379-L444 WeakPolarHBondContact O-CD2 3.38Å
380L91.7Very high89.9Confident3 Ų354.2 Ų54.22%0.01628%0.284CS..  trans-55.2148.9164.7-61.1174.3000109.9I377 Y378 F384 M389 M392 V404 C415 L444I377-L380 HydrophobicContact CB-CD2 4.47Å; I377-L380 HydrophobicContact CG2-CD2 3.62Å; I377-L380 HydrophobicContact CG2-CG 4.13Å; Y378-L380 VanDerWaalsContact C-N 3.33Å; L380-F384 HydrophobicContact CD2-CD1 4.46Å; L380-M389 HydrophobicContact CD1-CE 3.85Å; L380-M389 HydrophobicContact CD1-SD 3.96Å; L380-M389 HydrophobicContact CD2-CE 4.34Å; L380-M392 HydrophobicContact CD2-CE 4.02Å; L380-V404 HydrophobicContact CD1-CG1 4.15Å; L380-V404 HydrophobicContact CD1-CG2 3.84Å; L380-C415 PolarHBondContact N-O 3.39Å; L380-C415 VanDerWaalsContact O-CB 3.24Å; L380-C415 WeakPolarHBondContact O-CB 3.26Å; L380-C415 PolarHBondContact O-SG 3.33Å; L380-L444 HydrophobicContact CD2-CD2 4.08Å
381P87.8Confident90.2Very high20 Ų2055.2 Ų55.213%0.1328%0.283CS..  trans-57.6156.5166.1-22.834.9000111.9E383 F384 I439P381-E383 HydrophobicContact CB-CG 4.18Å; P381-E383 WeakPolarHBondContact CB-OE2 3.09Å; P381-E383 PolarHBondContact O-N 2.9Å; P381-F384 HydrophobicContact CB-CD2 3.68Å; P381-F384 HydrophobicContact CB-CE2 4.08Å; P381-F384 HydrophobicContact CB-CG 4.24Å; P381-F384 HydrophobicContact CG-CD2 3.65Å; P381-F384 HydrophobicContact CG-CE2 3.66Å; P381-F384 HydrophobicContact CG-CG 4.11Å; P381-F384 HydrophobicContact CG-CZ 4.12Å; P381-F384 PolarHBondContact O-N 3.42Å; P381-I439 HydrophobicContact CG-CD1 3.5Å; P381-I439 HydrophobicContact CG-CG1 3.74Å; P381-I439 HydrophobicContact CG-CG2 4.12Å
382Q84.3Confident90.6Very high111 Ų11149.1 Ų49.152%0.51926%0.255SS..THydrogen-bonded Turntrans-73-24.3-175.4-172.6167.4-26.500111.8S413Q382-S413 WeakPolarHBondContact O-CB 3.49Å
383E86.3Confident90.9Very high149 Ų14947.6 Ų47.670%0.69624%0.239SC*.THydrogen-bonded Turntrans-87.7-3.8177.265.7-89.8-135.600114.4P381P381-E383 HydrophobicContact CB-CG 4.18Å; P381-E383 WeakPolarHBondContact CB-OE2 3.09Å; P381-E383 PolarHBondContact O-N 2.9Å
384F86.4Confident90.9Very high43 Ų4351.6 Ų51.619%0.18926%0.26CS..  trans-80.3127.1177.1-88.7-141.3000110.9L380 P381 E388 M392 I439L380-F384 HydrophobicContact CD2-CD1 4.46Å; P381-F384 HydrophobicContact CB-CD2 3.68Å; P381-F384 HydrophobicContact CB-CE2 4.08Å; P381-F384 HydrophobicContact CB-CG 4.24Å; P381-F384 HydrophobicContact CG-CD2 3.65Å; P381-F384 HydrophobicContact CG-CE2 3.66Å; P381-F384 HydrophobicContact CG-CG 4.11Å; P381-F384 HydrophobicContact CG-CZ 4.12Å; P381-F384 PolarHBondContact O-N 3.42Å; F384-E388 HydrophobicContact CB-CB 4.39Å; F384-E388 HydrophobicContact CD1-CB 3.9Å; F384-E388 HydrophobicContact CD2-CB 4.31Å; F384-E388 HydrophobicContact CE1-CB 4.22Å; F384-E388 HydrophobicContact CG-CB 3.95Å; F384-M392 HydrophobicContact CD1-CE 3.87Å; F384-M392 HydrophobicContact CE1-CE 3.6Å; F384-M392 HydrophobicContact CE1-SD 3.86Å; F384-I439 HydrophobicContact CE1-CD1 4.17Å; F384-I439 HydrophobicContact CE2-CD1 4.22Å; F384-I439 HydrophobicContact CZ-CD1 3.64Å
385S90.2Very high90.8Very high52 Ų5254.8 Ų54.836%0.36428%0.281SS..  trans-104.7-177.2170.584.70000111.6S387 E388 M389 V404S385-S387 PolarHBondContact O-N 3.09Å; S385-S387 VanDerWaalsContact O-N 3.17Å; S385-S387 PolarHBondContact OG-N 2.92Å; S385-E388 WeakPolarHBondContact CA-OE2 3.18Å; S385-E388 VanDerWaalsContact CB-OE2 3.23Å; S385-E388 WeakPolarHBondContact CB-OE2 3.15Å; S385-E388 PolarHBondContact N-OE2 3.45Å; S385-E388 PolarHBondContact O-N 2.96Å; S385-E388 PolarHBondContact OG-OE2 3.25Å; S385-M389 WeakPolarHBondContact O-CB 3.24Å; S385-M389 PolarHBondContact O-N 2.92Å; S385-V404 VanDerWaalsContact C-CG2 3.4Å; S385-V404 WeakPolarHBondContact O-CG2 3.29Å
386D91.1Very high90.6Very high54 Ų5457 Ų5729%0.28929%0.291SS..Hα-helixtrans-52.6-34.3174.9-54.9-25.5000112.3L390 K403 V404D386-L390 VanDerWaalsContact O-CB 3.32Å; D386-L390 WeakPolarHBondContact O-CB 3.41Å; D386-L390 PolarHBondContact O-N 3.08Å; D386-K403 WeakPolarHBondContact OD1-CA 3.26Å; D386-K403 WeakPolarHBondContact OD1-CD 3.19Å; D386-K403 WeakPolarHBondContact OD1-CE 3.44Å; D386-K403 IonicContact OD1-NZ 2.68Å; D386-K403 PolarHBondContact OD1-NZ 3.04Å; D386-K403 IonicContact OD2-NZ 2.64Å; D386-K403 PolarHBondContact OD2-NZ 2.82Å; D386-V404 PolarHBondContact OD1-N 3Å
387S88.4Confident90.3Very high78 Ų7856.1 Ų56.155%0.54529%0.292SS..Hα-helixtrans-70.8-47.6-177-59.60000112.7S385 M389 L390 Q391S385-S387 PolarHBondContact O-N 3.09Å; S385-S387 VanDerWaalsContact O-N 3.17Å; S385-S387 PolarHBondContact OG-N 2.92Å; S387-M389 VanDerWaalsContact C-N 3.31Å; S387-L390 PolarHBondContact O-N 3.01Å; S387-Q391 WeakPolarHBondContact O-CB 3.44Å; S387-Q391 PolarHBondContact O-N 2.83Å
388E90.8Very high90.1Very high75 Ų7559 Ų5935%0.3531%0.308SS..Hα-helixtrans-65.6-39.6175.5-66.966.8-141.500110.4F384 S385 Q391 M392F384-E388 HydrophobicContact CB-CB 4.39Å; F384-E388 HydrophobicContact CD1-CB 3.9Å; F384-E388 HydrophobicContact CD2-CB 4.31Å; F384-E388 HydrophobicContact CE1-CB 4.22Å; F384-E388 HydrophobicContact CG-CB 3.95Å; S385-E388 WeakPolarHBondContact CA-OE2 3.18Å; S385-E388 VanDerWaalsContact CB-OE2 3.23Å; S385-E388 WeakPolarHBondContact CB-OE2 3.15Å; S385-E388 PolarHBondContact N-OE2 3.45Å; S385-E388 PolarHBondContact O-N 2.96Å; S385-E388 PolarHBondContact OG-OE2 3.25Å; E388-Q391 PolarHBondContact O-N 3.29Å; E388-M392 WeakPolarHBondContact O-CB 3.41Å; E388-M392 PolarHBondContact O-N 2.83Å
389M91.8Very high90.1Very high0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-63.1-43.7177-169.1171.3-15800112.1I377 L380 S385 S387 F393 A402 V404 V419I377-M389 HydrophobicContact CB-CE 3.86Å; I377-M389 HydrophobicContact CD1-CE 3.42Å; I377-M389 VanDerWaalsContact CD1-CE 3.42Å; I377-M389 HydrophobicContact CG1-CE 4.17Å; L380-M389 HydrophobicContact CD1-CE 3.85Å; L380-M389 HydrophobicContact CD1-SD 3.96Å; L380-M389 HydrophobicContact CD2-CE 4.34Å; S385-M389 WeakPolarHBondContact O-CB 3.24Å; S385-M389 PolarHBondContact O-N 2.92Å; S387-M389 VanDerWaalsContact C-N 3.31Å; M389-F393 WeakPolarHBondContact O-CD2 3.34Å; M389-F393 PolarHBondContact O-N 3.04Å; M389-A402 HydrophobicContact CB-CB 4.39Å; M389-A402 HydrophobicContact CG-CB 4.27Å; M389-V404 HydrophobicContact CB-CG2 3.91Å; M389-V404 HydrophobicContact CG-CG2 4.36Å; M389-V404 HydrophobicContact SD-CG2 3.57Å; M389-V404 VanDerWaalsContact SD-CG2 3.57Å; M389-V419 HydrophobicContact CE-CG2 4Å; M389-V419 HydrophobicContact CG-CG2 3.85Å; M389-V419 HydrophobicContact SD-CG2 4.34Å
390L92.4Very high90Very high67 Ų6755.3 Ų55.335%0.35130%0.296SS..Hα-helixtrans-58.9-57.2172.4177.760.9000110.7D386 S387 M392 F393 L394 V399 A402D386-L390 VanDerWaalsContact O-CB 3.32Å; D386-L390 WeakPolarHBondContact O-CB 3.41Å; D386-L390 PolarHBondContact O-N 3.08Å; S387-L390 PolarHBondContact O-N 3.01Å; L390-M392 VanDerWaalsContact C-N 3.26Å; L390-M392 PolarHBondContact O-N 3.04Å; L390-F393 PolarHBondContact O-N 2.87Å; L390-L394 HydrophobicContact CD1-CD2 4.14Å; L390-L394 HydrophobicContact CD1-CG 4.42Å; L390-L394 HydrophobicContact CG-CG 4.48Å; L390-L394 WeakPolarHBondContact O-CG 3.3Å; L390-L394 PolarHBondContact O-N 3.4Å; L390-L394 VanDerWaalsContact O-N 3.09Å; L390-V399 HydrophobicContact CD1-CB 3.59Å; L390-V399 HydrophobicContact CD1-CG1 3.44Å; L390-V399 VanDerWaalsContact CD1-CG1 3.44Å; L390-V399 HydrophobicContact CD1-CG2 4.29Å; L390-A402 HydrophobicContact CB-CB 3.86Å; L390-A402 HydrophobicContact CD1-CB 4.34Å
391Q88Confident89.9Confident94 Ų9456 Ų5644%0.43930%0.301SS..Hα-helixtrans-62.1-33-173-168.3-174.7-110.300112.9M184 S387 E388 F393M184-Q391 HydrophobicContact CE-CG 4.26Å; S387-Q391 WeakPolarHBondContact O-CB 3.44Å; S387-Q391 PolarHBondContact O-N 2.83Å; E388-Q391 PolarHBondContact O-N 3.29Å; Q391-F393 VanDerWaalsContact C-N 3.34Å
392M89.8Confident90.2Very high32 Ų3255.9 Ų55.916%0.15830%0.302CS..Hα-helixtrans-66.6-31.1175.3173.7171.949.300113.3L380 F384 E388 L390 P395 M434 L444L380-M392 HydrophobicContact CD2-CE 4.02Å; F384-M392 HydrophobicContact CD1-CE 3.87Å; F384-M392 HydrophobicContact CE1-CE 3.6Å; F384-M392 HydrophobicContact CE1-SD 3.86Å; E388-M392 WeakPolarHBondContact O-CB 3.41Å; E388-M392 PolarHBondContact O-N 2.83Å; L390-M392 VanDerWaalsContact C-N 3.26Å; L390-M392 PolarHBondContact O-N 3.04Å; M392-P395 WeakPolarHBondContact O-CD 3.5Å; M392-M434 HydrophobicContact CG-CE 3.66Å; M392-M434 HydrophobicContact SD-CE 3.63Å; M392-L444 HydrophobicContact SD-CD1 4.08Å
393F92.4Very high90.7Very high0 Ų053.4 Ų53.40%029%0.289CS..Hα-helixtrans-101.4-13.1-175.2-81.7-76.9000114.9I375 I377 M389 L390 Q391 P395 F396 V399 V419 F421 A430 M434 V446I375-F393 HydrophobicContact CD1-CD1 3.96Å; I375-F393 HydrophobicContact CD1-CE1 3.74Å; I375-F393 HydrophobicContact CD1-CZ 4.25Å; I377-F393 HydrophobicContact CD1-CD2 4.45Å; I377-F393 HydrophobicContact CD1-CE2 3.77Å; I377-F393 HydrophobicContact CD1-CZ 3.92Å; I377-F393 HydrophobicContact CG1-CE2 3.92Å; I377-F393 HydrophobicContact CG1-CZ 3.75Å; M389-F393 WeakPolarHBondContact O-CD2 3.34Å; M389-F393 PolarHBondContact O-N 3.04Å; L390-F393 PolarHBondContact O-N 2.87Å; Q391-F393 VanDerWaalsContact C-N 3.34Å; F393-P395 VanDerWaalsContact C-N 3.31Å; F393-F396 AromaticContact CD1-CD2 3.79Å; F393-F396 HydrophobicContact CD1-CD2 3.79Å; F393-F396 HydrophobicContact CD1-CE2 4.1Å; F393-F396 HydrophobicContact CE1-CD2 4.47Å; F393-F396 HydrophobicContact CE1-CE2 4.49Å; F393-F396 WeakPolarHBondContact O-CD2 3.33Å; F393-F396 PolarHBondContact O-N 3.47Å; F393-F396 VanDerWaalsContact O-N 3.16Å; F393-V399 HydrophobicContact CB-CG2 4.36Å; F393-V419 HydrophobicContact CB-CG1 4.03Å; F393-V419 HydrophobicContact CB-CG2 4.32Å; F393-V419 HydrophobicContact CD2-CG2 3.8Å; F393-V419 HydrophobicContact CE2-CG2 4.43Å; F393-V419 HydrophobicContact CG-CG1 4.35Å; F393-V419 HydrophobicContact CG-CG2 4.16Å; F393-F421 HydrophobicContact CB-CZ 4.08Å; F393-F421 HydrophobicContact CD1-CZ 4.21Å; F393-A430 HydrophobicContact CD1-CB 3.79Å; F393-A430 HydrophobicContact CE1-CB 3.9Å; F393-M434 HydrophobicContact CD1-CG 4.46Å; F393-M434 HydrophobicContact CE1-CB 3.91Å; F393-M434 HydrophobicContact CE1-CG 3.71Å; F393-M434 HydrophobicContact CZ-CB 4.04Å; F393-M434 HydrophobicContact CZ-CG 4.13Å; F393-V446 HydrophobicContact CE1-CG1 4.38Å; F393-V446 HydrophobicContact CZ-CG1 4.4Å; F393-V446 HydrophobicContact CZ-CG2 4.19Å
394L91.4Very high91Very high87 Ų8746.4 Ų46.446%0.45526%0.256SS..G310 helixtrans-50.1-35.2171-73.5177.9000115.7L390 F396 G397 V399L390-L394 HydrophobicContact CD1-CD2 4.14Å; L390-L394 HydrophobicContact CD1-CG 4.42Å; L390-L394 HydrophobicContact CG-CG 4.48Å; L390-L394 WeakPolarHBondContact O-CG 3.3Å; L390-L394 PolarHBondContact O-N 3.4Å; L390-L394 VanDerWaalsContact O-N 3.09Å; L394-F396 PolarHBondContact O-N 3Å; L394-F396 VanDerWaalsContact O-N 3.16Å; L394-G397 PolarHBondContact O-N 3.48Å; L394-G397 VanDerWaalsContact O-O 3.14Å; L394-V399 HydrophobicContact CD2-CB 4.36Å; L394-V399 HydrophobicContact CD2-CG2 4.34Å
395P92.3Very high91.2Very high83 Ų8347.9 Ų47.954%0.53926%0.263SS..G310 helixtrans-62.6-20.3179.4-25.836.7000114.9M392 F393M392-P395 WeakPolarHBondContact O-CD 3.5Å; F393-P395 VanDerWaalsContact C-N 3.31Å
396F91Very high91.2Very high48 Ų4849 Ų4921%0.21127%0.267CS..G310 helixtrans-93.6-15.4-178.8-49.7-68.6000113F393 L394 F421 S426 A429 A430 A433 M434F393-F396 AromaticContact CD1-CD2 3.79Å; F393-F396 HydrophobicContact CD1-CD2 3.79Å; F393-F396 HydrophobicContact CD1-CE2 4.1Å; F393-F396 HydrophobicContact CE1-CD2 4.47Å; F393-F396 HydrophobicContact CE1-CE2 4.49Å; F393-F396 WeakPolarHBondContact O-CD2 3.33Å; F393-F396 PolarHBondContact O-N 3.47Å; F393-F396 VanDerWaalsContact O-N 3.16Å; L394-F396 PolarHBondContact O-N 3Å; L394-F396 VanDerWaalsContact O-N 3.16Å; F396-F421 HydrophobicContact CB-CE1 4.31Å; F396-F421 HydrophobicContact CB-CZ 4.15Å; F396-S426 VanDerWaalsContact O-CA 3.32Å; F396-S426 WeakPolarHBondContact O-CA 3.35Å; F396-S426 WeakPolarHBondContact O-CB 3.36Å; F396-S426 PolarHBondContact O-OG 3.29Å; F396-A429 HydrophobicContact CB-CB 4.49Å; F396-A430 HydrophobicContact CB-CB 3.85Å; F396-A430 HydrophobicContact CD2-CB 3.95Å; F396-A430 HydrophobicContact CG-CB 3.89Å; F396-A433 HydrophobicContact CD1-CB 4.19Å; F396-A433 HydrophobicContact CE1-CB 3.36Å; F396-A433 HydrophobicContact CZ-CB 3.82Å; F396-M434 HydrophobicContact CD2-CG 4.41Å; F396-M434 HydrophobicContact CE2-CG 3.47Å; F396-M434 VanDerWaalsContact CE2-CG 3.47Å; F396-M434 HydrophobicContact CE2-SD 3.86Å; F396-M434 HydrophobicContact CZ-CG 3.55Å; F396-M434 HydrophobicContact CZ-SD 3.64Å
397G88.8Confident91.1Very high17 Ų1749 Ų4918%0.17527%0.267CS..SBendtrans163.1179.4-179.800000115.2L394 V399 S426L394-G397 PolarHBondContact O-N 3.48Å; L394-G397 VanDerWaalsContact O-O 3.14Å; G397-V399 PolarHBondContact O-N 3.44Å; G397-S426 VanDerWaalsContact CA-OG 3.27Å; G397-S426 WeakPolarHBondContact CA-OG 3.24Å
398N91.1Very high91Very high61 Ų6156.4 Ų56.433%0.32628%0.283SS..  trans-74.4117.1175.1178.545.7000110.4F421 D422N398-F421 WeakPolarHBondContact O-CA 3.2Å; N398-D422 WeakPolarHBondContact CB-OD2 3.36Å; N398-D422 PolarHBondContact ND2-OD2 2.9Å; N398-D422 PolarHBondContact O-N 2.96Å; N398-D422 VanDerWaalsContact O-N 3.12Å
399V93.1Very high90.8Very high16 Ų1657.1 Ų57.110%0.09730%0.302CS..EExtended strand (participates in β ladder)trans-94.3117.5-177174.70000109.8L390 F393 L394 G397 S401 A402 V419 S420 F421L390-V399 HydrophobicContact CD1-CB 3.59Å; L390-V399 HydrophobicContact CD1-CG1 3.44Å; L390-V399 VanDerWaalsContact CD1-CG1 3.44Å; L390-V399 HydrophobicContact CD1-CG2 4.29Å; F393-V399 HydrophobicContact CB-CG2 4.36Å; L394-V399 HydrophobicContact CD2-CB 4.36Å; L394-V399 HydrophobicContact CD2-CG2 4.34Å; G397-V399 PolarHBondContact O-N 3.44Å; V399-S401 WeakPolarHBondContact CG1-O 3.3Å; V399-A402 HydrophobicContact CG1-CB 4.34Å; V399-V419 HydrophobicContact CG1-CG1 3.85Å; V399-V419 HydrophobicContact CG2-CG1 3.93Å; V399-S420 CarbonylContact C-O 3.51Å; V399-S420 WeakPolarHBondContact CA-O 3.47Å; V399-F421 HydrophobicContact CG2-CD1 3.87Å; V399-F421 HydrophobicContact CG2-CE1 3.52Å; V399-F421 HydrophobicContact CG2-CZ 4.15Å
400I90.8Very high90.6Very high71 Ų7161 Ų6136%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-71.6-40.5173.4-65.8-178.5000111R367 S420 D422R367-I400 HydrophobicContact CB-CG2 3.73Å; R367-I400 WeakPolarHBondContact O-CG2 3.28Å; I400-S420 PolarHBondContact N-O 3.35Å; I400-D422 HydrophobicContact CD1-CB 3.84Å; I400-D422 HydrophobicContact CG1-CB 4Å
401S90.9Very high90.1Very high19 Ų1963.9 Ų63.913%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-155.3151.1173.467.90000112.7R367 V399 V419 S420R367-S401 WeakPolarHBondContact O-CB 3.31Å; R367-S401 PolarHBondContact O-OG 2.87Å; V399-S401 WeakPolarHBondContact CG1-O 3.3Å; S401-V419 CarbonylContact O-C 3.6Å; S401-V419 WeakPolarHBondContact O-CA 3.42Å; S401-S420 PolarHBondContact N-O 3.01Å; S401-S420 PolarHBondContact O-N 3.25Å; S401-S420 WeakPolarHBondContact OG-CB 3.5Å; S401-S420 PolarHBondContact OG-OG 3.3Å
402A93.9Very high90Very high16 Ų1664.3 Ų64.313%0.13234%0.344CS..EExtended strand (participates in β ladder)trans-132.7141.4169.100000108.2M389 L390 V399 F418 V419M389-A402 HydrophobicContact CB-CB 4.39Å; M389-A402 HydrophobicContact CG-CB 4.27Å; L390-A402 HydrophobicContact CB-CB 3.86Å; L390-A402 HydrophobicContact CD1-CB 4.34Å; V399-A402 HydrophobicContact CG1-CB 4.34Å; A402-F418 CarbonylContact C-O 3.49Å; A402-F418 WeakPolarHBondContact CA-O 3.43Å; A402-V419 HydrophobicContact CB-CG2 3.95Å
403K93.5Very high90Very high60 Ų6063.6 Ų63.626%0.26134%0.342SS..EExtended strand (participates in β ladder)trans-153116.3-177.6-172.971-152.2143.30112.9Q366 D386 F405 G417 F418Q366-K403 VanDerWaalsContact NE2-CB 3.34Å; D386-K403 WeakPolarHBondContact OD1-CA 3.26Å; D386-K403 WeakPolarHBondContact OD1-CD 3.19Å; D386-K403 WeakPolarHBondContact OD1-CE 3.44Å; D386-K403 IonicContact OD1-NZ 2.68Å; D386-K403 PolarHBondContact OD1-NZ 3.04Å; D386-K403 IonicContact OD2-NZ 2.64Å; D386-K403 PolarHBondContact OD2-NZ 2.82Å; K403-F405 HydrophobicContact CG-CD2 4.21Å; K403-F405 HydrophobicContact CG-CE2 3.89Å; K403-G417 CarbonylContact O-C 3.44Å; K403-G417 WeakPolarHBondContact O-CA 3.36Å; K403-F418 PolarHBondContact N-O 2.98Å; K403-F418 PolarHBondContact O-N 3.3Å
404V93.2Very high89.9Confident1 Ų168.7 Ų68.71%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-83.8136166.5-175.70000108.9L380 S385 D386 M389 S413L380-V404 HydrophobicContact CD1-CG1 4.15Å; L380-V404 HydrophobicContact CD1-CG2 3.84Å; S385-V404 VanDerWaalsContact C-CG2 3.4Å; S385-V404 WeakPolarHBondContact O-CG2 3.29Å; D386-V404 PolarHBondContact OD1-N 3Å; M389-V404 HydrophobicContact CB-CG2 3.91Å; M389-V404 HydrophobicContact CG-CG2 4.36Å; M389-V404 HydrophobicContact SD-CG2 3.57Å; M389-V404 VanDerWaalsContact SD-CG2 3.57Å; V404-S413 WeakPolarHBondContact CG1-OG 3.25Å
405F91.1Very high89.9Confident74 Ų7465.8 Ų65.833%0.32535%0.351SS..EExtended strand (participates in β ladder)trans-90.4120.6174.9-85.2-114.4000109.4K403 K414 F416 F418K403-F405 HydrophobicContact CG-CD2 4.21Å; K403-F405 HydrophobicContact CG-CE2 3.89Å; F405-K414 VanDerWaalsContact O-CB 3.28Å; F405-K414 WeakPolarHBondContact O-CB 3.4Å; F405-K414 WeakPolarHBondContact O-CG 3.48Å; F405-K414 PolarHBondContact O-N 2.9Å; F405-F416 HydrophobicContact CB-CD2 3.91Å; F405-F416 HydrophobicContact CB-CE1 4.42Å; F405-F416 HydrophobicContact CB-CE2 3.4Å; F405-F416 HydrophobicContact CB-CZ 3.7Å; F405-F416 AromaticContact CD1-CE2 3.96Å; F405-F416 HydrophobicContact CD1-CE2 3.96Å; F405-F416 HydrophobicContact CD1-CZ 4.25Å; F405-F416 HydrophobicContact CD2-CD2 4.44Å; F405-F416 HydrophobicContact CD2-CE2 4.02Å; F405-F416 HydrophobicContact CG-CD2 4.22Å; F405-F416 AromaticContact CG-CE2 3.5Å; F405-F416 HydrophobicContact CG-CE2 3.5Å; F405-F416 HydrophobicContact CG-CZ 4.06Å; F405-F416 PolarHBondContact N-O 3.12Å; F405-F418 HydrophobicContact CD2-CD2 4.24Å; F405-F418 HydrophobicContact CD2-CE2 4.32Å; F405-F418 AromaticContact CE2-CD2 3.65Å; F405-F418 HydrophobicContact CE2-CD2 3.65Å; F405-F418 AromaticContact CE2-CE2 3.75Å; F405-F418 HydrophobicContact CE2-CE2 3.75Å; F405-F418 HydrophobicContact CZ-CD2 4.35Å; F405-F418 HydrophobicContact CZ-CE2 4.09Å
406V90.3Very high90Very high76 Ų7664.2 Ų64.246%0.46134%0.336SS..EExtended strand (participates in β ladder)trans-100.3152.4174-62.20000110.7Q412V406-Q412 CarbonylContact C-O 3.49Å; V406-Q412 WeakPolarHBondContact CA-O 3.32Å
407D87.9Confident90.1Very high53 Ų5362 Ų6228%0.28333%0.326SS..PPolyproline II helixtrans-75.3131.3167.4177.8-95.1000110A409 T410 N411 Q412 K414D407-A409 PolarHBondContact OD1-N 2.85Å; D407-T410 WeakPolarHBondContact CB-OG1 3.27Å; D407-T410 PolarHBondContact OD1-N 3.4Å; D407-T410 PolarHBondContact OD1-OG1 2.83Å; D407-N411 WeakPolarHBondContact O-CA 3.07Å; D407-N411 PolarHBondContact O-N 3.2Å; D407-Q412 PolarHBondContact N-O 3.01Å; D407-K414 HydrophobicContact CB-CD 4.41Å; D407-K414 HydrophobicContact CB-CG 4.17Å
408R86.3Confident90.4Very high234 Ų23462.9 Ų62.988%0.88333%0.325SS*.THydrogen-bonded Turntrans-81.6-17.3-170.9-167.1173.6179.1-171.1-0.9113.9
409A85.9Confident90.6Very high91 Ų9160 Ų6075%0.75231%0.309SS*.THydrogen-bonded Turntrans-85.4-38.1176.700000111.4D407D407-A409 PolarHBondContact OD1-N 2.85Å
410T88.4Confident90.7Very high82 Ų8259.3 Ų59.350%0.50331%0.305SS..THydrogen-bonded Turntrans-103.7-11.8-175.260.50000114.3D407 Q412D407-T410 WeakPolarHBondContact CB-OG1 3.27Å; D407-T410 PolarHBondContact OD1-N 3.4Å; D407-T410 PolarHBondContact OD1-OG1 2.83Å; T410-Q412 WeakPolarHBondContact O-CG 3.47Å; T410-Q412 PolarHBondContact O-N 3.32Å; T410-Q412 VanDerWaalsContact O-N 3.17Å
411N83Confident90.9Very high127 Ų12755.9 Ų55.968%0.67929%0.288SS*.  trans57.913.6-171.3-69.2-85.1000115.2D407D407-N411 WeakPolarHBondContact O-CA 3.07Å; D407-N411 PolarHBondContact O-N 3.2Å
412Q84.5Confident90.9Very high103 Ų10358.1 Ų58.148%0.48130%0.299SS..  trans-89.9148.2-179.3-58.4-157.98800112.1V406 D407 T410 K414V406-Q412 CarbonylContact C-O 3.49Å; V406-Q412 WeakPolarHBondContact CA-O 3.32Å; D407-Q412 PolarHBondContact N-O 3.01Å; T410-Q412 WeakPolarHBondContact O-CG 3.47Å; T410-Q412 PolarHBondContact O-N 3.32Å; T410-Q412 VanDerWaalsContact O-N 3.17Å; Q412-K414 PolarHBondContact O-N 2.99Å
413S89.5Confident90.8Very high16 Ų1659.7 Ų59.711%0.11230%0.304CS..EExtended strand (participates in β ladder)trans-59.2133.2175.4178.90000111.4Q382 V404 C415Q382-S413 WeakPolarHBondContact O-CB 3.49Å; V404-S413 WeakPolarHBondContact CG1-OG 3.25Å; S413-C415 PolarHBondContact O-N 2.8Å; S413-C415 PolarHBondContact OG-N 3.42Å
414K90.9Very high90.7Very high107 Ų10760.2 Ų60.247%0.46531%0.314SS..EExtended strand (participates in β ladder)trans-78.99.6169.9-53.5-171.371.1158.90111.9F405 D407 Q412 F416F405-K414 VanDerWaalsContact O-CB 3.28Å; F405-K414 WeakPolarHBondContact O-CB 3.4Å; F405-K414 WeakPolarHBondContact O-CG 3.48Å; F405-K414 PolarHBondContact O-N 2.9Å; D407-K414 HydrophobicContact CB-CD 4.41Å; D407-K414 HydrophobicContact CB-CG 4.17Å; Q412-K414 PolarHBondContact O-N 2.99Å; K414-F416 HydrophobicContact CB-CD1 3.75Å; K414-F416 HydrophobicContact CB-CE1 3.58Å; K414-F416 HydrophobicContact CB-CZ 4.41Å; K414-F416 HydrophobicContact CD-CE1 4.19Å; K414-F416 HydrophobicContact CD-CZ 4.47Å; K414-F416 HydrophobicContact CG-CE1 4.48Å; K414-F416 WeakPolarHBondContact O-CD1 3.42Å; K414-F416 PolarHBondContact O-N 3.2Å
415C90.9Very high90.7Very high27 Ų2763.3 Ų63.318%0.18234%0.34CS..EExtended strand (participates in β ladder)trans59.626.4178.1-57.90000113.7Y378 H379 L380 S413Y378-C415 CarbonylContact C-O 3.53Å; H379-C415 WeakPolarHBondContact CA-O 3.28Å; H379-C415 PolarHBondContact N-O 3.35Å; L380-C415 PolarHBondContact N-O 3.39Å; L380-C415 VanDerWaalsContact O-CB 3.24Å; L380-C415 WeakPolarHBondContact O-CB 3.26Å; L380-C415 PolarHBondContact O-SG 3.33Å; S413-C415 PolarHBondContact O-N 2.8Å; S413-C415 PolarHBondContact OG-N 3.42Å
416F94.7Very high90.8Very high50 Ų5060.5 Ų60.522%0.21933%0.329CS..EExtended strand (participates in β ladder)trans-144.6160.3173.974.8-104.8000112.2F376 I377 Y378 F405 K414F376-F416 HydrophobicContact CE2-CB 4.48Å; F376-F416 AromaticContact CE2-CD2 3.52Å; F376-F416 HydrophobicContact CE2-CD2 3.52Å; F376-F416 HydrophobicContact CE2-CE2 4.11Å; F376-F416 HydrophobicContact CE2-CG 4.34Å; F376-F416 HydrophobicContact CZ-CB 4.39Å; F376-F416 AromaticContact CZ-CD2 3.59Å; F376-F416 HydrophobicContact CZ-CD2 3.59Å; F376-F416 HydrophobicContact CZ-CE2 4.06Å; F376-F416 HydrophobicContact CZ-CG 4.16Å; I377-F416 CarbonylContact O-C 3.55Å; I377-F416 WeakPolarHBondContact O-CA 3.44Å; I377-F416 WeakPolarHBondContact O-CB 3.44Å; Y378-F416 HydrophobicContact CD1-CB 4.42Å; F405-F416 HydrophobicContact CB-CD2 3.91Å; F405-F416 HydrophobicContact CB-CE1 4.42Å; F405-F416 HydrophobicContact CB-CE2 3.4Å; F405-F416 HydrophobicContact CB-CZ 3.7Å; F405-F416 AromaticContact CD1-CE2 3.96Å; F405-F416 HydrophobicContact CD1-CE2 3.96Å; F405-F416 HydrophobicContact CD1-CZ 4.25Å; F405-F416 HydrophobicContact CD2-CD2 4.44Å; F405-F416 HydrophobicContact CD2-CE2 4.02Å; F405-F416 HydrophobicContact CG-CD2 4.22Å; F405-F416 AromaticContact CG-CE2 3.5Å; F405-F416 HydrophobicContact CG-CE2 3.5Å; F405-F416 HydrophobicContact CG-CZ 4.06Å; F405-F416 PolarHBondContact N-O 3.12Å; K414-F416 HydrophobicContact CB-CD1 3.75Å; K414-F416 HydrophobicContact CB-CE1 3.58Å; K414-F416 HydrophobicContact CB-CZ 4.41Å; K414-F416 HydrophobicContact CD-CE1 4.19Å; K414-F416 HydrophobicContact CD-CZ 4.47Å; K414-F416 HydrophobicContact CG-CE1 4.48Å; K414-F416 WeakPolarHBondContact O-CD1 3.42Å; K414-F416 PolarHBondContact O-N 3.2Å
417G94.2Very high91Very high0 Ų056.9 Ų56.90%031%0.307CS..EExtended strand (participates in β ladder)trans-172.8176.6176.400000113.9F376 I377 K403F376-G417 WeakPolarHBondContact CD2-O 3.38Å; I377-G417 PolarHBondContact N-O 3.23Å; I377-G417 PolarHBondContact O-N 3.38Å; K403-G417 CarbonylContact O-C 3.44Å; K403-G417 WeakPolarHBondContact O-CA 3.36Å
418F95.1Very high91.4Very high36 Ų3658.2 Ų58.216%0.15831%0.312CS..EExtended strand (participates in β ladder)trans-112.5150.5177.2-59-91.3000111.2I375 F376 A402 K403 F405 K449I375-F418 WeakPolarHBondContact O-CA 3.24Å; F376-F418 HydrophobicContact CB-CD1 4.02Å; F376-F418 HydrophobicContact CB-CE1 4.03Å; F376-F418 HydrophobicContact CD1-CE1 4.49Å; F376-F418 AromaticContact CD2-CD1 3.32Å; F376-F418 HydrophobicContact CD2-CD1 3.32Å; F376-F418 HydrophobicContact CD2-CD2 4.03Å; F376-F418 AromaticContact CD2-CE1 3.13Å; F376-F418 HydrophobicContact CD2-CE1 3.13Å; F376-F418 AromaticContact CD2-CE2 3.88Å; F376-F418 HydrophobicContact CD2-CE2 3.88Å; F376-F418 AromaticContact CD2-CG 3.78Å; F376-F418 HydrophobicContact CD2-CG 3.78Å; F376-F418 AromaticContact CD2-CZ 3.44Å; F376-F418 HydrophobicContact CD2-CZ 3.44Å; F376-F418 VanDerWaalsContact CD2-CZ 3.44Å; F376-F418 HydrophobicContact CE2-CD1 4.04Å; F376-F418 HydrophobicContact CE2-CD2 4.02Å; F376-F418 AromaticContact CE2-CE1 3.56Å; F376-F418 HydrophobicContact CE2-CE1 3.56Å; F376-F418 AromaticContact CE2-CE2 3.55Å; F376-F418 HydrophobicContact CE2-CE2 3.55Å; F376-F418 HydrophobicContact CE2-CG 4.25Å; F376-F418 AromaticContact CE2-CZ 3.29Å; F376-F418 HydrophobicContact CE2-CZ 3.29Å; F376-F418 AromaticContact CG-CD1 3.99Å; F376-F418 HydrophobicContact CG-CD1 3.99Å; F376-F418 AromaticContact CG-CE1 3.68Å; F376-F418 HydrophobicContact CG-CE1 3.68Å; F376-F418 HydrophobicContact CG-CZ 4.26Å; F376-F418 HydrophobicContact CZ-CE1 4.4Å; F376-F418 HydrophobicContact CZ-CE2 4.48Å; F376-F418 HydrophobicContact CZ-CZ 4.02Å; A402-F418 CarbonylContact C-O 3.49Å; A402-F418 WeakPolarHBondContact CA-O 3.43Å; K403-F418 PolarHBondContact N-O 2.98Å; K403-F418 PolarHBondContact O-N 3.3Å; F405-F418 HydrophobicContact CD2-CD2 4.24Å; F405-F418 HydrophobicContact CD2-CE2 4.32Å; F405-F418 AromaticContact CE2-CD2 3.65Å; F405-F418 HydrophobicContact CE2-CD2 3.65Å; F405-F418 AromaticContact CE2-CE2 3.75Å; F405-F418 HydrophobicContact CE2-CE2 3.75Å; F405-F418 HydrophobicContact CZ-CD2 4.35Å; F405-F418 HydrophobicContact CZ-CE2 4.09Å; F418-K449 HydrophobicContact CD1-CB 4.39Å; F418-K449 HydrophobicContact CD1-CD 3.83Å; F418-K449 HydrophobicContact CD1-CG 4.05Å; F418-K449 HydrophobicContact CE1-CD 3.86Å; F418-K449 HydrophobicContact CE1-CG 3.85Å
419V95.3Very high91.6Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-129.7133.3164.9169.40000108.4I375 I377 M389 F393 V399 S401 A402 F421I375-V419 HydrophobicContact CD1-CB 4.1Å; I375-V419 HydrophobicContact CD1-CG1 4.42Å; I375-V419 HydrophobicContact CG1-CB 3.77Å; I375-V419 HydrophobicContact CG1-CG1 4.31Å; I375-V419 VanDerWaalsContact CG1-O 3.29Å; I375-V419 WeakPolarHBondContact CG1-O 3.44Å; I375-V419 PolarHBondContact N-O 3.01Å; I375-V419 PolarHBondContact O-N 3.08Å; I377-V419 HydrophobicContact CD1-CB 4.08Å; I377-V419 HydrophobicContact CD1-CG2 3.9Å; M389-V419 HydrophobicContact CE-CG2 4Å; M389-V419 HydrophobicContact CG-CG2 3.85Å; M389-V419 HydrophobicContact SD-CG2 4.34Å; F393-V419 HydrophobicContact CB-CG1 4.03Å; F393-V419 HydrophobicContact CB-CG2 4.32Å; F393-V419 HydrophobicContact CD2-CG2 3.8Å; F393-V419 HydrophobicContact CE2-CG2 4.43Å; F393-V419 HydrophobicContact CG-CG1 4.35Å; F393-V419 HydrophobicContact CG-CG2 4.16Å; V399-V419 HydrophobicContact CG1-CG1 3.85Å; V399-V419 HydrophobicContact CG2-CG1 3.93Å; S401-V419 CarbonylContact O-C 3.6Å; S401-V419 WeakPolarHBondContact O-CA 3.42Å; A402-V419 HydrophobicContact CB-CG2 3.95Å; V419-F421 HydrophobicContact CG1-CD2 4.21Å; V419-F421 HydrophobicContact CG1-CE2 3.78Å; V419-F421 HydrophobicContact CG1-CZ 3.99Å
420S94.6Very high92Very high2 Ų244.7 Ų44.71%0.01425%0.25CS..EExtended strand (participates in β ladder)trans-113.1116.5178.9-67.60000109.3N374 V399 I400 S401N374-S420 WeakPolarHBondContact OD1-CB 3.46Å; N374-S420 PolarHBondContact OD1-OG 3.2Å; V399-S420 CarbonylContact C-O 3.51Å; V399-S420 WeakPolarHBondContact CA-O 3.47Å; I400-S420 PolarHBondContact N-O 3.35Å; S401-S420 PolarHBondContact N-O 3.01Å; S401-S420 PolarHBondContact O-N 3.25Å; S401-S420 WeakPolarHBondContact OG-CB 3.5Å; S401-S420 PolarHBondContact OG-OG 3.3Å
421F94.5Very high92.4Very high0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-88.4164.8170.2-67.9-82.4000111.4C373 I375 F393 F396 N398 V399 V419 N423 A427 A430C373-F421 HydrophobicContact CB-CB 4.48Å; C373-F421 VanDerWaalsContact CB-O 3.26Å; C373-F421 WeakPolarHBondContact CB-O 3.29Å; C373-F421 PolarHBondContact O-N 3.44Å; I375-F421 HydrophobicContact CD1-CE2 3.77Å; I375-F421 HydrophobicContact CG1-CE2 4.16Å; F393-F421 HydrophobicContact CB-CZ 4.08Å; F393-F421 HydrophobicContact CD1-CZ 4.21Å; F396-F421 HydrophobicContact CB-CE1 4.31Å; F396-F421 HydrophobicContact CB-CZ 4.15Å; N398-F421 WeakPolarHBondContact O-CA 3.2Å; V399-F421 HydrophobicContact CG2-CD1 3.87Å; V399-F421 HydrophobicContact CG2-CE1 3.52Å; V399-F421 HydrophobicContact CG2-CZ 4.15Å; V419-F421 HydrophobicContact CG1-CD2 4.21Å; V419-F421 HydrophobicContact CG1-CE2 3.78Å; V419-F421 HydrophobicContact CG1-CZ 3.99Å; F421-N423 WeakPolarHBondContact CB-O 3.49Å; F421-A427 HydrophobicContact CD2-CB 3.93Å; F421-A430 HydrophobicContact CE2-CB 3.68Å; F421-A430 HydrophobicContact CZ-CB 3.76Å
422D91.6Very high92.9Very high66 Ų6643.4 Ų43.435%0.35324%0.235SC..SBendtrans-79.1-17170.465.3-5.8000114.2N398 I400N398-D422 WeakPolarHBondContact CB-OD2 3.36Å; N398-D422 PolarHBondContact ND2-OD2 2.9Å; N398-D422 PolarHBondContact O-N 2.96Å; N398-D422 VanDerWaalsContact O-N 3.12Å; I400-D422 HydrophobicContact CD1-CB 3.84Å; I400-D422 HydrophobicContact CG1-CB 4Å
423N91.4Very high93.1Very high48 Ų4841 Ų4126%0.25723%0.233SC..SBendtrans-142153.5-17780.287.3000112.1F421 A425 S426F421-N423 WeakPolarHBondContact CB-O 3.49Å; N423-A425 WeakPolarHBondContact OD1-CB 3.37Å; N423-A425 PolarHBondContact OD1-N 3.38Å; N423-A425 VanDerWaalsContact OD1-N 3.08Å; N423-S426 WeakPolarHBondContact ND2-CB 3.25Å; N423-S426 PolarHBondContact ND2-OG 2.79Å; N423-S426 PolarHBondContact OD1-N 3.26Å; N423-S426 PolarHBondContact OD1-OG 3.09Å
424P91.6Very high93.3Very high71 Ų7141 Ų4146%0.46123%0.232SC..Hα-helixtrans-79.1-22-174.130.6-34.7000113.1C373 A427 Q428C373-P424 VanDerWaalsContact SG-CD 3.55Å; P424-A427 PolarHBondContact O-N 3.25Å; P424-Q428 WeakPolarHBondContact O-CG 3.46Å; P424-Q428 PolarHBondContact O-N 3.42Å
425A92.4Very high93.4Very high67 Ų6739.8 Ų39.855%0.55423%0.23SC*.Hα-helixtrans-67-41.2178.100000111N423 Q428 A429N423-A425 WeakPolarHBondContact OD1-CB 3.37Å; N423-A425 PolarHBondContact OD1-N 3.38Å; N423-A425 VanDerWaalsContact OD1-N 3.08Å; A425-Q428 PolarHBondContact O-N 3.02Å; A425-A429 WeakPolarHBondContact O-CB 3.47Å; A425-A429 PolarHBondContact O-N 2.89Å
426S94.9Very high93.3Very high14 Ų1439.9 Ų39.910%0.09824%0.235CC..Hα-helixtrans-62.5-39.7172.4-70.70000113.2F396 G397 N423 Q428 A429 A430F396-S426 VanDerWaalsContact O-CA 3.32Å; F396-S426 WeakPolarHBondContact O-CA 3.35Å; F396-S426 WeakPolarHBondContact O-CB 3.36Å; F396-S426 PolarHBondContact O-OG 3.29Å; G397-S426 VanDerWaalsContact CA-OG 3.27Å; G397-S426 WeakPolarHBondContact CA-OG 3.24Å; N423-S426 WeakPolarHBondContact ND2-CB 3.25Å; N423-S426 PolarHBondContact ND2-OG 2.79Å; N423-S426 PolarHBondContact OD1-N 3.26Å; N423-S426 PolarHBondContact OD1-OG 3.09Å; S426-Q428 PolarHBondContact O-N 3.45Å; S426-A429 PolarHBondContact O-N 3Å; S426-A430 VanDerWaalsContact O-CB 3.25Å; S426-A430 WeakPolarHBondContact O-CB 3.3Å; S426-A430 PolarHBondContact O-N 3.4Å
427A94.1Very high93.1Very high0 Ų041.7 Ų41.70%024%0.243CC..Hα-helixtrans-62.5-40.6173.600000112.3G372 I375 F421 P424 I431 L448G372-A427 WeakPolarHBondContact O-CB 3.35Å; I375-A427 HydrophobicContact CG2-CB 3.84Å; F421-A427 HydrophobicContact CD2-CB 3.93Å; P424-A427 PolarHBondContact O-N 3.25Å; A427-I431 WeakPolarHBondContact O-CD1 3.42Å; A427-I431 VanDerWaalsContact O-CG1 3.28Å; A427-I431 WeakPolarHBondContact O-CG1 3.24Å; A427-I431 PolarHBondContact O-N 2.9Å; A427-L448 HydrophobicContact CB-CD2 4.43Å
428Q94.8Very high92.9Very high81 Ų8146.9 Ų46.938%0.37927%0.268SS..Hα-helixtrans-69.2-43.1175.6-67.3-62.6-20.100112.6P424 A425 S426 A430 I431 Q432P424-Q428 WeakPolarHBondContact O-CG 3.46Å; P424-Q428 PolarHBondContact O-N 3.42Å; A425-Q428 PolarHBondContact O-N 3.02Å; S426-Q428 PolarHBondContact O-N 3.45Å; Q428-A430 VanDerWaalsContact C-N 3.32Å; Q428-A430 PolarHBondContact O-N 3.15Å; Q428-I431 PolarHBondContact O-N 3.49Å; Q428-Q432 WeakPolarHBondContact O-CG 3.47Å; Q428-Q432 PolarHBondContact O-N 3.04Å
429A92Very high92.3Very high41 Ų4147 Ų4734%0.33927%0.27SS..Hα-helixtrans-60-42.9175.400000111.6F396 A425 S426 Q432 A433F396-A429 HydrophobicContact CB-CB 4.49Å; A425-A429 WeakPolarHBondContact O-CB 3.47Å; A425-A429 PolarHBondContact O-N 2.89Å; S426-A429 PolarHBondContact O-N 3Å; A429-Q432 PolarHBondContact O-N 3.24Å; A429-A433 WeakPolarHBondContact O-CB 3.04Å; A429-A433 PolarHBondContact O-N 3.41Å
430A94.2Very high91.7Very high0 Ų050.1 Ų50.10%030%0.302CS..Hα-helixtrans-60.8-42.9173.800000112.7I375 F393 F396 F421 S426 Q428 M434I375-A430 HydrophobicContact CD1-CB 3.93Å; F393-A430 HydrophobicContact CD1-CB 3.79Å; F393-A430 HydrophobicContact CE1-CB 3.9Å; F396-A430 HydrophobicContact CB-CB 3.85Å; F396-A430 HydrophobicContact CD2-CB 3.95Å; F396-A430 HydrophobicContact CG-CB 3.89Å; F421-A430 HydrophobicContact CE2-CB 3.68Å; F421-A430 HydrophobicContact CZ-CB 3.76Å; S426-A430 VanDerWaalsContact O-CB 3.25Å; S426-A430 WeakPolarHBondContact O-CB 3.3Å; S426-A430 PolarHBondContact O-N 3.4Å; Q428-A430 VanDerWaalsContact C-N 3.32Å; Q428-A430 PolarHBondContact O-N 3.15Å; A430-M434 VanDerWaalsContact O-CB 3.24Å; A430-M434 WeakPolarHBondContact O-CB 3.33Å; A430-M434 PolarHBondContact O-N 3Å
431I95.6Very high91.1Very high27 Ų2759.4 Ų59.414%0.13835%0.347CS..Hα-helixtrans-62.4-49.2174.5-71.1160.7000110.7I375 A427 Q428 A433 N435 V446 L448I375-I431 HydrophobicContact CG2-CD1 3.85Å; I375-I431 HydrophobicContact CG2-CG1 3.96Å; A427-I431 WeakPolarHBondContact O-CD1 3.42Å; A427-I431 VanDerWaalsContact O-CG1 3.28Å; A427-I431 WeakPolarHBondContact O-CG1 3.24Å; A427-I431 PolarHBondContact O-N 2.9Å; Q428-I431 PolarHBondContact O-N 3.49Å; I431-A433 PolarHBondContact O-N 3.37Å; I431-N435 HydrophobicContact CG2-CB 4.49Å; I431-N435 WeakPolarHBondContact O-CB 3.26Å; I431-N435 PolarHBondContact O-N 3.32Å; I431-V446 HydrophobicContact CG1-CG1 3.93Å; I431-L448 HydrophobicContact CD1-CD2 3.84Å; I431-L448 HydrophobicContact CD1-CG 3.78Å
432Q93.5Very high90.9Very high156 Ų15665.2 Ų65.273%0.72937%0.373SS*.Hα-helixtrans-63.7-37.8-175.9-71.3174.519.200112.9Q428 A429Q428-Q432 WeakPolarHBondContact O-CG 3.47Å; Q428-Q432 PolarHBondContact O-N 3.04Å; A429-Q432 PolarHBondContact O-N 3.24Å
433A89.8Confident90.8Very high53 Ų5368.6 Ų68.644%0.43838%0.381SS..Hα-helixtrans-84.7-35.9-179.200000114.1F396 A429 I431F396-A433 HydrophobicContact CD1-CB 4.19Å; F396-A433 HydrophobicContact CE1-CB 3.36Å; F396-A433 HydrophobicContact CZ-CB 3.82Å; A429-A433 WeakPolarHBondContact O-CB 3.04Å; A429-A433 PolarHBondContact O-N 3.41Å; I431-A433 PolarHBondContact O-N 3.37Å
434M92.3Very high91Very high16 Ų1666.4 Ų66.48%0.07937%0.369CS..Hα-helixtrans-104.3-16.1-169.6-58.4-62.3-71.100114.3M392 F393 F396 A430 G436 F437 L444 V446M392-M434 HydrophobicContact CG-CE 3.66Å; M392-M434 HydrophobicContact SD-CE 3.63Å; F393-M434 HydrophobicContact CD1-CG 4.46Å; F393-M434 HydrophobicContact CE1-CB 3.91Å; F393-M434 HydrophobicContact CE1-CG 3.71Å; F393-M434 HydrophobicContact CZ-CB 4.04Å; F393-M434 HydrophobicContact CZ-CG 4.13Å; F396-M434 HydrophobicContact CD2-CG 4.41Å; F396-M434 HydrophobicContact CE2-CG 3.47Å; F396-M434 VanDerWaalsContact CE2-CG 3.47Å; F396-M434 HydrophobicContact CE2-SD 3.86Å; F396-M434 HydrophobicContact CZ-CG 3.55Å; F396-M434 HydrophobicContact CZ-SD 3.64Å; A430-M434 VanDerWaalsContact O-CB 3.24Å; A430-M434 WeakPolarHBondContact O-CB 3.33Å; A430-M434 PolarHBondContact O-N 3Å; M434-G436 PolarHBondContact O-N 3.08Å; M434-F437 HydrophobicContact CE-CD1 4.23Å; M434-F437 HydrophobicContact CE-CG 4.26Å; M434-F437 VanDerWaalsContact O-CB 3.26Å; M434-F437 WeakPolarHBondContact O-CB 3.44Å; M434-F437 PolarHBondContact O-N 3.48Å; M434-F437 HydrophobicContact SD-CG 4.48Å; M434-L444 HydrophobicContact CE-CD1 3.91Å; M434-V446 HydrophobicContact CB-CG2 3.87Å
435N93.4Very high91.2Very high80 Ų8066.9 Ų66.943%0.42836%0.363SS..THydrogen-bonded Turntrans-71.7119.5174.9-17348.4000110.6I431 K445 V446I431-N435 HydrophobicContact CG2-CB 4.49Å; I431-N435 WeakPolarHBondContact O-CB 3.26Å; I431-N435 PolarHBondContact O-N 3.32Å; N435-K445 WeakPolarHBondContact OD1-CA 3.3Å; N435-V446 HydrophobicContact CB-CB 4.02Å; N435-V446 PolarHBondContact OD1-N 3.42Å; N435-V446 PolarHBondContact OD1-O 3.29Å
436G89.8Confident91.3Very high29 Ų2963.7 Ų63.730%0.29934%0.337SS..THydrogen-bonded Turntrans89.4-5.4-173.300000114.6M434 Q438 R443 L444M434-G436 PolarHBondContact O-N 3.08Å; G436-Q438 PolarHBondContact O-N 3.01Å; G436-R443 WeakPolarHBondContact O-CD 3.29Å; G436-R443 WeakPolarHBondContact O-CG 3.32Å; G436-R443 PolarHBondContact O-NH1 3.22Å; G436-L444 WeakPolarHBondContact CA-O 3.49Å; G436-L444 PolarHBondContact N-O 3.34Å
437F91.2Very high91.3Very high88 Ų8867.2 Ų67.239%0.38635%0.352SS..  trans-58.7129.6177-177.5-91.1000110.8M434 I439 R443 L444M434-F437 HydrophobicContact CE-CD1 4.23Å; M434-F437 HydrophobicContact CE-CG 4.26Å; M434-F437 VanDerWaalsContact O-CB 3.26Å; M434-F437 WeakPolarHBondContact O-CB 3.44Å; M434-F437 PolarHBondContact O-N 3.48Å; M434-F437 HydrophobicContact SD-CG 4.48Å; F437-I439 HydrophobicContact CE1-CB 4.49Å; F437-R443 CarbonylContact O-C 3.45Å; F437-R443 VanDerWaalsContact O-CA 3.3Å; F437-R443 WeakPolarHBondContact O-CA 3.48Å; F437-L444 HydrophobicContact CB-CD1 4.39Å; F437-L444 HydrophobicContact CD1-CD1 4.04Å; F437-L444 PolarHBondContact O-N 3.17Å
438Q89.8Confident91.3Very high109 Ų10970.6 Ų70.651%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-88.3127.8-174.5-173.6169.3-1800111.3G436 K442 R443G436-Q438 PolarHBondContact O-N 3.01Å; Q438-K442 WeakPolarHBondContact CA-O 3.41Å; Q438-R443 HydrophobicContact CB-CG 4.35Å
439I81.6Confident91Very high39 Ų3969.3 Ų69.320%0.236%0.363CS..EExtended strand (participates in β ladder)trans-136.9116.1177.5-163.6162.4000109.4P381 F384 F437 M441 K442 L444P381-I439 HydrophobicContact CG-CD1 3.5Å; P381-I439 HydrophobicContact CG-CG1 3.74Å; P381-I439 HydrophobicContact CG-CG2 4.12Å; F384-I439 HydrophobicContact CE1-CD1 4.17Å; F384-I439 HydrophobicContact CE2-CD1 4.22Å; F384-I439 HydrophobicContact CZ-CD1 3.64Å; F437-I439 HydrophobicContact CE1-CB 4.49Å; I439-M441 PolarHBondContact O-N 3.37Å; I439-K442 PolarHBondContact N-O 3.43Å; I439-K442 PolarHBondContact O-N 3.46Å; I439-K442 VanDerWaalsContact O-N 3.12Å; I439-K442 VanDerWaalsContact O-O 3.11Å; I439-L444 HydrophobicContact CG2-CD2 3.88Å; I439-L444 HydrophobicContact CG2-CG 3.97Å
440G82.6Confident90.5Very high66 Ų6677.8 Ų77.868%0.6839%0.386SS*.THydrogen-bonded Turntrans54.3-126.4-165.400000111.8
441M83.1Confident89.4Confident197 Ų19781.8 Ų81.897%0.9741%0.412SS*.THydrogen-bonded Turntrans-88.80.5179.6-53-178.3-153.700114.2I439I439-M441 PolarHBondContact O-N 3.37Å
442K88.6Confident87.9Confident121 Ų12189.9 Ų89.953%0.52645%0.446SS..EExtended strand (participates in β ladder)trans-120.3163.7-174.6-67.6-178.7-178.9172.30111.5H379 Q438 I439H379-K442 HydrophobicContact CB-CB 4.13Å; H379-K442 HydrophobicContact CB-CD 4.27Å; Q438-K442 WeakPolarHBondContact CA-O 3.41Å; I439-K442 PolarHBondContact N-O 3.43Å; I439-K442 PolarHBondContact O-N 3.46Å; I439-K442 VanDerWaalsContact O-N 3.12Å; I439-K442 VanDerWaalsContact O-O 3.11Å
443R91.2Very high86Confident138 Ų13889.9 Ų89.952%0.52145%0.451SS..EExtended strand (participates in β ladder)trans-110.6129.6169.4-68-176.7-178.4-73.5-11.6109.6H379 G436 F437 Q438H379-R443 WeakPolarHBondContact CB-O 3.44Å; H379-R443 PolarHBondContact ND1-O 3.5Å; G436-R443 WeakPolarHBondContact O-CD 3.29Å; G436-R443 WeakPolarHBondContact O-CG 3.32Å; G436-R443 PolarHBondContact O-NH1 3.22Å; F437-R443 CarbonylContact O-C 3.45Å; F437-R443 VanDerWaalsContact O-CA 3.3Å; F437-R443 WeakPolarHBondContact O-CA 3.48Å; Q438-R443 HydrophobicContact CB-CG 4.35Å
444L94.7Very high83.8Confident2 Ų291.2 Ų91.21%0.0146%0.462CS..  trans-57.5137.1171.2-66.1-179.2000109.4I377 Y378 H379 L380 M392 M434 G436 F437 I439 V446I377-L444 HydrophobicContact CG2-CD2 4.17Å; Y378-L444 WeakPolarHBondContact O-CA 3.37Å; H379-L444 WeakPolarHBondContact O-CD2 3.38Å; L380-L444 HydrophobicContact CD2-CD2 4.08Å; M392-L444 HydrophobicContact SD-CD1 4.08Å; M434-L444 HydrophobicContact CE-CD1 3.91Å; G436-L444 WeakPolarHBondContact CA-O 3.49Å; G436-L444 PolarHBondContact N-O 3.34Å; F437-L444 HydrophobicContact CB-CD1 4.39Å; F437-L444 HydrophobicContact CD1-CD1 4.04Å; F437-L444 PolarHBondContact O-N 3.17Å; I439-L444 HydrophobicContact CG2-CD2 3.88Å; I439-L444 HydrophobicContact CG2-CG 3.97Å; L444-V446 HydrophobicContact CB-CG2 4.27Å
445K95.1Very high81.7Confident80 Ų8098 Ų9835%0.34850%0.499SS..EExtended strand (participates in β ladder)trans-114.2110.4171.8175.3-177.8174.5-176.90107.7I377 Y378 N435 Q447I377-K445 WeakPolarHBondContact CA-O 3.42Å; Y378-K445 HydrophobicContact CD2-CB 4.2Å; Y378-K445 HydrophobicContact CD2-CD 3.9Å; Y378-K445 HydrophobicContact CD2-CG 4.04Å; Y378-K445 HydrophobicContact CE2-CD 4.23Å; Y378-K445 PolarHBondContact N-O 3.44Å; Y378-K445 PolarHBondContact O-N 3.36Å; Y378-K445 VanDerWaalsContact O-N 3.09Å; N435-K445 WeakPolarHBondContact OD1-CA 3.3Å; K445-Q447 VanDerWaalsContact CE-CD 3.46Å; K445-Q447 VanDerWaalsContact CE-OE1 3.23Å; K445-Q447 HydrophobicContact CG-CG 4.27Å
446V95.9Very high79.3Confident1 Ų1104.8 Ų104.81%0.00652%0.519CS..EExtended strand (participates in β ladder)trans-116.8121.8-172.5-174.80000108.5I375 I377 F393 I431 M434 N435 L444I375-V446 HydrophobicContact CD1-CG1 3.83Å; I377-V446 HydrophobicContact CG1-CB 4.36Å; I377-V446 HydrophobicContact CG1-CG1 3.97Å; I377-V446 HydrophobicContact CG1-CG2 3.9Å; I377-V446 HydrophobicContact CG2-CG2 4.1Å; F393-V446 HydrophobicContact CE1-CG1 4.38Å; F393-V446 HydrophobicContact CZ-CG1 4.4Å; F393-V446 HydrophobicContact CZ-CG2 4.19Å; I431-V446 HydrophobicContact CG1-CG1 3.93Å; M434-V446 HydrophobicContact CB-CG2 3.87Å; N435-V446 HydrophobicContact CB-CB 4.02Å; N435-V446 PolarHBondContact OD1-N 3.42Å; N435-V446 PolarHBondContact OD1-O 3.29Å; L444-V446 HydrophobicContact CB-CG2 4.27Å
447Q94.9Very high77.2Confident87 Ų87108.9 Ų108.941%0.40754%0.54SS..EExtended strand (participates in β ladder)trans-142.1160.3-174.5-57.9-167.9-50.100110.1I375 F376 K445 K449I375-Q447 CarbonylContact C-O 3.53Å; I375-Q447 VanDerWaalsContact CA-O 3.26Å; I375-Q447 WeakPolarHBondContact CA-O 3.46Å; I375-Q447 WeakPolarHBondContact CB-O 3.35Å; F376-Q447 PolarHBondContact N-O 2.93Å; F376-Q447 PolarHBondContact O-N 3.48Å; K445-Q447 VanDerWaalsContact CE-CD 3.46Å; K445-Q447 VanDerWaalsContact CE-OE1 3.23Å; K445-Q447 HydrophobicContact CG-CG 4.27Å; Q447-K449 PolarHBondContact O-N 3.34Å
448L93.2Very high74.8Confident71 Ų71119.2 Ų119.237%0.37258%0.578SS.*EExtended strand (participates in β ladder)trans-60137.2167.9-74.9178.6000110.2G372 I375 A427 I431 R450G372-L448 VanDerWaalsContact O-CD2 3.24Å; G372-L448 WeakPolarHBondContact O-CD2 3.47Å; I375-L448 HydrophobicContact CG2-CD2 4.23Å; A427-L448 HydrophobicContact CB-CD2 4.43Å; I431-L448 HydrophobicContact CD1-CD2 3.84Å; I431-L448 HydrophobicContact CD1-CG 3.78Å; L448-R450 PolarHBondContact O-N 3.37Å
449K88.3Confident74Confident55 Ų55119.8 Ų119.824%0.23958%0.582CS.*PPolyproline II helixtrans-63.9129.9164.9-177.6-172.9176.3-1690107.7E368 N374 F418 Q447E368-K449 IonicContact OE1-NZ 2.6Å; E368-K449 PolarHBondContact OE1-NZ 3.47Å; E368-K449 IonicContact OE2-NZ 2.69Å; E368-K449 PolarHBondContact OE2-NZ 3.42Å; N374-K449 HydrophobicContact CB-CB 3.81Å; N374-K449 HydrophobicContact CB-CD 4.08Å; N374-K449 WeakPolarHBondContact O-CB 3.41Å; N374-K449 PolarHBondContact O-N 3.25Å; F418-K449 HydrophobicContact CD1-CB 4.39Å; F418-K449 HydrophobicContact CD1-CD 3.83Å; F418-K449 HydrophobicContact CD1-CG 4.05Å; F418-K449 HydrophobicContact CE1-CD 3.86Å; F418-K449 HydrophobicContact CE1-CG 3.85Å; Q447-K449 PolarHBondContact O-N 3.34Å
450R82.1Confident73.6Confident219 Ų219124 Ų12483%0.82660%0.602SS**PPolyproline II helixtrans-65.6137.9173.6-63.1179.6-177.71720.3109.6L448L448-R450 PolarHBondContact O-N 3.37Å
451P71.1Confident73.1Confident84 Ų84127.2 Ų127.255%0.54560%0.598SS.*PPolyproline II helixtrans-59.8156.7169.828.6-35.1000109.8E371 D453E371-P451 WeakPolarHBondContact OE1-CB 3.42Å; P451-D453 VanDerWaalsContact C-N 3.28Å; P451-D453 PolarHBondContact O-N 3.5Å
452K64.1Low72.5Confident197 Ų197123.1 Ų123.186%0.85758%0.576SS**SBendtrans-77-17.6-170.7-152.9175.1-179.7-174.90113.2A454K452-A454 PolarHBondContact O-N 3.34Å
453D53.3Low71.5Confident155 Ų155123.3 Ų123.383%0.82958%0.579SS**  trans-102.380.2-174.4-69.7-85.3000112.4P451P451-D453 VanDerWaalsContact C-N 3.28Å; P451-D453 PolarHBondContact O-N 3.5Å
454A43.6Very low70.2Confident81 Ų81122.3 Ų122.367%0.66958%0.583SS**  trans-153.194.215800000109.3K452 R456K452-A454 PolarHBondContact O-N 3.34Å; A454-R456 PolarHBondContact O-N 3.03Å; A454-R456 VanDerWaalsContact O-N 3.13Å
455N48.1Very low68.5Low158 Ų158130.9 Ų130.985%0.84562%0.623SS**  trans-54.3116.9175.5179.615.2000110.8
456R43Very low66.4Low224 Ų224134.8 Ų134.885%0.84565%0.645SS**  trans-131.2121.6158.3-72.6-167178.2-158.2-1.6108.2A454A454-R456 PolarHBondContact O-N 3.03Å; A454-R456 VanDerWaalsContact O-N 3.13Å
457P45.7Very low63.9Low114 Ų114145.9 Ų145.974%0.7470%0.698SS**  trans-62.7162.8162.829.2-33.6000110.2
458Y39.9Very low61.1Low306 Ų306151.3 Ų151.3100%1.272%0.724SS**  trans-660172.6-92.9-96.6000111.9

Retrieved 458 of 458 residues in 82 ms (Link to these results)

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