A0A077ZH97_TRITR Loading...

isopentenyl-diphosphate Delta-isomerase

Catalyzes the 1,3-allylic rearrangement of the homoallylic substrate isopentenyl (IPP) to its highly electrophilic allylic isomer, dimethylallyl diphosphate (DMAPP).

AlphaFold DB , UniProt , Accession A0A077ZH97, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 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
1M29.3Very low66.4Low243 Ų24395.5 Ų95.5100%1.19751%0.514SS*.  088.50-156.6172.8-16400105.4S3M1-S3 PolarHBondContact O-N 3.43Å; M1-S3 VanDerWaalsContact O-N 3.15Å
2F28.2Very low69.1Low212 Ų21288 Ų8893%0.9347%0.474SS*.  trans-71106.9168.8-75-79.3000104.8S4F2-S4 VanDerWaalsContact C-N 3.29Å; F2-S4 PolarHBondContact O-N 3.05Å
3S30.7Very low71.3Confident86 Ų8684.4 Ų84.460%0.60145%0.454SS*.  trans-57.5107.4157-169.10000104.3M1 D5M1-S3 PolarHBondContact O-N 3.43Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-D5 WeakPolarHBondContact CB-OD1 3.48Å; S3-D5 PolarHBondContact O-N 3.18Å; S3-D5 PolarHBondContact OG-OD1 3.45Å
4S41.3Very low73Confident106 Ų10684.7 Ų84.774%0.74146%0.461SS*.  trans-70.674.5162.460.90000105.2F2 L6F2-S4 VanDerWaalsContact C-N 3.29Å; F2-S4 PolarHBondContact O-N 3.05Å; S4-L6 PolarHBondContact O-N 3.05Å
5D49Very low74.6Confident122 Ų12290.8 Ų90.865%0.65248%0.475SS*.  trans-53.7117.5167.6-70.1-23.5000104.9S3 I7S3-D5 WeakPolarHBondContact CB-OD1 3.48Å; S3-D5 PolarHBondContact O-N 3.18Å; S3-D5 PolarHBondContact OG-OD1 3.45Å; D5-I7 PolarHBondContact O-N 3.46Å
6L70.1Confident76Confident125 Ų12585.9 Ų85.965%0.65445%0.449SS*.  trans-53.1107-178.6-84.7137000107.7S4 T8 D23S4-L6 PolarHBondContact O-N 3.05Å; L6-T8 PolarHBondContact O-N 3.19Å; L6-D23 HydrophobicContact CD2-CB 4.23Å
7I90.7Very high77.2Confident100 Ų10085.5 Ų85.551%0.51345%0.447SS..  trans-66.9119.7175-60.7178.5000106.1D5 L9 T24 L82D5-I7 PolarHBondContact O-N 3.46Å; I7-L9 HydrophobicContact CG2-CD2 4.01Å; I7-T24 WeakPolarHBondContact CB-OG1 3.29Å; I7-T24 VanDerWaalsContact CG2-OG1 3.29Å; I7-T24 WeakPolarHBondContact CG2-OG1 3.44Å; I7-T24 PolarHBondContact O-N 3.48Å; I7-T24 PolarHBondContact O-OG1 2.71Å; I7-L82 HydrophobicContact CG2-CD2 3.49Å; I7-L82 VanDerWaalsContact CG2-CD2 3.49Å
8T96.4Very high78.4Confident44 Ų4484.3 Ų84.327%0.2744%0.444SS..EExtended strand (participates in β ladder)trans-108.9132-179.919.80000109.2L6 I22 D23 Y83L6-T8 PolarHBondContact O-N 3.19Å; T8-I22 CarbonylContact C-O 3.49Å; T8-I22 WeakPolarHBondContact CA-O 3.49Å; T8-D23 VanDerWaalsContact CG2-OD1 3.31Å; T8-D23 WeakPolarHBondContact CG2-OD1 3.4Å; T8-Y83 PolarHBondContact O-N 2.91Å
9L98Very high79.4Confident2 Ų285.2 Ų85.21%0.0145%0.453CS..EExtended strand (participates in β ladder)trans-106.2162.6-178.3-50-174.8000110.1I7 A11 S21 I22 T24 A27 H80 L82I7-L9 HydrophobicContact CG2-CD2 4.01Å; L9-A11 PolarHBondContact O-N 2.79Å; L9-S21 VanDerWaalsContact O-CA 3.3Å; L9-S21 WeakPolarHBondContact O-CA 3.23Å; L9-I22 HydrophobicContact CB-CG2 4.12Å; L9-I22 PolarHBondContact N-O 2.67Å; L9-I22 PolarHBondContact O-N 3.34Å; L9-T24 HydrophobicContact CD1-CG2 4.35Å; L9-A27 HydrophobicContact CD1-CB 3.88Å; L9-H80 HydrophobicContact CD1-CB 4.18Å; L9-H80 HydrophobicContact CD2-CB 3.64Å; L9-H80 HydrophobicContact CG-CB 4.42Å; L9-L82 HydrophobicContact CD2-CD2 4.4Å
10I98.4Very high80.3Confident0 Ų081.9 Ų81.90%044%0.441CS..EExtended strand (participates in β ladder)trans-79.3110176.6-53177.5000109.4V12 V18 H40 R41 P81 Y83 M88I10-V12 HydrophobicContact CG2-CG1 3.96Å; I10-V18 HydrophobicContact CG2-CB 4.4Å; I10-V18 HydrophobicContact CG2-CG1 3.96Å; I10-V18 HydrophobicContact CG2-CG2 3.72Å; I10-H40 CarbonylContact O-C 3.55Å; I10-H40 VanDerWaalsContact O-CA 3.25Å; I10-H40 WeakPolarHBondContact O-CA 3.43Å; I10-H40 WeakPolarHBondContact O-CB 3.19Å; I10-R41 HydrophobicContact CB-CB 4.29Å; I10-R41 PolarHBondContact O-N 2.78Å; I10-P81 HydrophobicContact CD1-CB 3.8Å; I10-P81 HydrophobicContact CD1-CG 3.82Å; I10-P81 HydrophobicContact CG1-CG 4.32Å; I10-Y83 HydrophobicContact CB-CD2 4.49Å; I10-Y83 HydrophobicContact CG1-CD2 4.18Å; I10-M88 HydrophobicContact CD1-CG 3.68Å; I10-M88 HydrophobicContact CG1-CG 4.06Å
11A98.4Very high81.1Confident10 Ų1081.1 Ų81.18%0.08344%0.441CS..EExtended strand (participates in β ladder)trans-79.2135.6172.500000110L9 V19 G20 I22L9-A11 PolarHBondContact O-N 2.79Å; A11-V19 HydrophobicContact CB-CG2 3.95Å; A11-V19 PolarHBondContact O-N 3.28Å; A11-G20 PolarHBondContact N-O 3.33Å; A11-I22 HydrophobicContact CB-CB 4.2Å; A11-I22 HydrophobicContact CB-CG2 4.02Å
12V98.5Very high84.3Confident6 Ų670.5 Ų70.54%0.03639%0.389CS..EExtended strand (participates in β ladder)trans-135.6159.9-175.2-59.50000112.9I10 N17 L39 R41 L140I10-V12 HydrophobicContact CG2-CG1 3.96Å; V12-N17 CarbonylContact C-O 3.51Å; V12-N17 WeakPolarHBondContact CA-O 3.34Å; V12-N17 WeakPolarHBondContact CB-O 3.45Å; V12-L39 HydrophobicContact CG2-CD2 4.32Å; V12-L39 HydrophobicContact CG2-CG 3.93Å; V12-L39 PolarHBondContact N-O 3.17Å; V12-R41 HydrophobicContact CG1-CB 4.15Å; V12-L140 HydrophobicContact CG2-CB 4.06Å; V12-L140 HydrophobicContact CG2-CD1 4.3Å
13D97.3Very high87.6Confident41 Ų4163 Ų6322%0.21936%0.359CS..  trans-84.5175.3164.579.52.5000111.8R15 D16 N17 V19D13-R15 PolarHBondContact O-N 3.07Å; D13-R15 VanDerWaalsContact OD1-C 3.31Å; D13-R15 WeakPolarHBondContact OD1-CA 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.43Å; D13-R15 PolarHBondContact OD1-N 3.37Å; D13-R15 IonicContact OD2-NE 3.8Å; D13-R15 IonicContact OD2-NH2 3.52Å; D13-D16 PolarHBondContact O-N 3.37Å; D13-D16 PolarHBondContact OD1-N 2.82Å; D13-N17 PolarHBondContact N-O 3.34Å; D13-N17 WeakPolarHBondContact OD1-CB 3.5Å; D13-N17 PolarHBondContact OD1-N 2.89Å; D13-N17 PolarHBondContact OD1-ND2 2.74Å; D13-N17 PolarHBondContact OD2-ND2 3.37Å; D13-V19 HydrophobicContact CB-CG1 4.11Å
14T96Very high90.6Very high89 Ų8961 Ų6155%0.54634%0.343SS..THydrogen-bonded Turntrans-68.1-4.9-179.154.30000114.4L39 L126 I217T14-L39 HydrophobicContact CG2-CD2 4.01Å; T14-L126 HydrophobicContact CG2-CD2 4.11Å; T14-I217 WeakPolarHBondContact O-CD1 3.23Å
15R96.2Very high93.1Very high176 Ų17663.9 Ų63.966%0.66434%0.342SS*.THydrogen-bonded Turntrans-106.913.7173.3-63.6-179.7-62-175.21.5111.8D13 N17D13-R15 PolarHBondContact O-N 3.07Å; D13-R15 VanDerWaalsContact OD1-C 3.31Å; D13-R15 WeakPolarHBondContact OD1-CA 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.43Å; D13-R15 PolarHBondContact OD1-N 3.37Å; D13-R15 IonicContact OD2-NE 3.8Å; D13-R15 IonicContact OD2-NH2 3.52Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 WeakPolarHBondContact CB-ND2 3.48Å; R15-N17 PolarHBondContact O-N 3.2Å
16D97.2Very high95.3Very high12 Ų1261.1 Ų61.16%0.06433%0.328CS..  trans66.122.8-179.4-154.114.6000115D13 R41 R124 L140 Y142 I217D13-D16 PolarHBondContact O-N 3.37Å; D13-D16 PolarHBondContact OD1-N 2.82Å; D16-R41 VanDerWaalsContact CG-NH2 3.28Å; D16-R41 PolarHBondContact O-NH2 2.9Å; D16-R41 IonicContact OD1-CZ 2.7Å; D16-R41 IonicContact OD1-NE 2.77Å; D16-R41 PolarHBondContact OD1-NE 3.36Å; D16-R41 IonicContact OD1-NH2 3.05Å; D16-R41 PolarHBondContact OD1-NH2 3.5Å; D16-R41 IonicContact OD2-CZ 3.76Å; D16-R41 IonicContact OD2-NE 3.92Å; D16-R41 IonicContact OD2-NH2 3.28Å; D16-R124 IonicContact OD2-NH1 2.76Å; D16-R124 PolarHBondContact OD2-NH1 3.47Å; D16-L140 HydrophobicContact CB-CD1 3.39Å; D16-L140 HydrophobicContact CB-CD2 4.18Å; D16-L140 HydrophobicContact CB-CG 4.43Å; D16-Y142 VanDerWaalsContact OD2-CE2 3.24Å; D16-Y142 WeakPolarHBondContact OD2-CE2 3.44Å; D16-Y142 PolarHBondContact OD2-OH 2.86Å; D16-I217 HydrophobicContact CB-CD1 4.28Å
17N97.3Very high96.6Very high79 Ų7955.2 Ų55.242%0.42230%0.296SS..  trans-80.5132.8172-55.6-68.6000109.4V12 D13 R15 V19V12-N17 CarbonylContact C-O 3.51Å; V12-N17 WeakPolarHBondContact CA-O 3.34Å; V12-N17 WeakPolarHBondContact CB-O 3.45Å; D13-N17 PolarHBondContact N-O 3.34Å; D13-N17 WeakPolarHBondContact OD1-CB 3.5Å; D13-N17 PolarHBondContact OD1-N 2.89Å; D13-N17 PolarHBondContact OD1-ND2 2.74Å; D13-N17 PolarHBondContact OD2-ND2 3.37Å; R15-N17 VanDerWaalsContact C-N 3.28Å; R15-N17 WeakPolarHBondContact CB-ND2 3.48Å; R15-N17 PolarHBondContact O-N 3.2Å; N17-V19 PolarHBondContact O-N 3.03Å
18V97.9Very high96.9Very high65 Ų6550.9 Ų50.939%0.39427%0.274SS..EExtended strand (participates in β ladder)trans-66123.4175.6-179.20000109.8I10 Y83 M88I10-V18 HydrophobicContact CG2-CB 4.4Å; I10-V18 HydrophobicContact CG2-CG1 3.96Å; I10-V18 HydrophobicContact CG2-CG2 3.72Å; V18-Y83 HydrophobicContact CG1-CE2 4.19Å; V18-M88 HydrophobicContact CG1-CE 4.16Å
19V97.7Very high96.9Very high100 Ų10050.2 Ų50.261%0.60627%0.271SS*.EExtended strand (participates in β ladder)trans-108.4-8.7177.2-61.60000113A11 D13 N17A11-V19 HydrophobicContact CB-CG2 3.95Å; A11-V19 PolarHBondContact O-N 3.28Å; D13-V19 HydrophobicContact CB-CG1 4.11Å; N17-V19 PolarHBondContact O-N 3.03Å
20G97.4Very high96.8Very high20 Ų2051.3 Ų51.321%0.20628%0.275CS..EExtended strand (participates in β ladder)trans154-154.8177.400000112.2A11 Y83A11-G20 PolarHBondContact N-O 3.33Å; G20-Y83 VanDerWaalsContact C-CE2 3.43Å; G20-Y83 WeakPolarHBondContact O-CD2 3.46Å; G20-Y83 WeakPolarHBondContact O-CE2 3.34Å
21S97.2Very high96.7Very high65 Ų6553.6 Ų53.646%0.45529%0.294SS..EExtended strand (participates in β ladder)trans-112.1154.1172.761.20000110.8L9 Y83L9-S21 VanDerWaalsContact O-CA 3.3Å; L9-S21 WeakPolarHBondContact O-CA 3.23Å; S21-Y83 VanDerWaalsContact CB-CG 3.47Å
22I97.2Very high96.6Very high21 Ų2156 Ų5611%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-137.4138.4171.7-173.5164.8000110.4T8 L9 A11 D26 A27 H40T8-I22 CarbonylContact C-O 3.49Å; T8-I22 WeakPolarHBondContact CA-O 3.49Å; L9-I22 HydrophobicContact CB-CG2 4.12Å; L9-I22 PolarHBondContact N-O 2.67Å; L9-I22 PolarHBondContact O-N 3.34Å; A11-I22 HydrophobicContact CB-CB 4.2Å; A11-I22 HydrophobicContact CB-CG2 4.02Å; I22-D26 HydrophobicContact CD1-CB 4.2Å; I22-D26 HydrophobicContact CG1-CB 4Å; I22-A27 HydrophobicContact CD1-CB 4.18Å; I22-A27 HydrophobicContact CG1-CB 4.16Å; I22-A27 HydrophobicContact CG2-CB 3.88Å; I22-H40 HydrophobicContact CG2-CB 4.1Å
23D96.5Very high96.6Very high54 Ų5455.9 Ų55.929%0.28930%0.302SS..EExtended strand (participates in β ladder)trans-65.2139.3174.5-70-38.1000110.1L6 T8 K25 D26 A27L6-D23 HydrophobicContact CD2-CB 4.23Å; T8-D23 VanDerWaalsContact CG2-OD1 3.31Å; T8-D23 WeakPolarHBondContact CG2-OD1 3.4Å; D23-K25 PolarHBondContact O-N 3.35Å; D23-D26 PolarHBondContact O-N 3.4Å; D23-A27 PolarHBondContact O-N 2.85Å
24T94.4Very high96.4Very high44 Ų4460.2 Ų60.227%0.2732%0.322SS..Hα-helixtrans-53-34.7-178.4-600000112.5I7 L9 H28I7-T24 WeakPolarHBondContact CB-OG1 3.29Å; I7-T24 VanDerWaalsContact CG2-OG1 3.29Å; I7-T24 WeakPolarHBondContact CG2-OG1 3.44Å; I7-T24 PolarHBondContact O-N 3.48Å; I7-T24 PolarHBondContact O-OG1 2.71Å; L9-T24 HydrophobicContact CD1-CG2 4.35Å; T24-H28 PolarHBondContact O-N 3.1Å; T24-H28 PolarHBondContact O-ND1 2.71Å
25K94Very high96.4Very high167 Ų16765.2 Ų65.273%0.72633%0.33SS*.Hα-helixtrans-64.1-44.5176.7-175.9-176.1173.8-172.80112.2D23 H28 S29D23-K25 PolarHBondContact O-N 3.35Å; K25-H28 PolarHBondContact O-N 2.86Å; K25-S29 PolarHBondContact O-N 2.93Å
26D95.5Very high96.2Very high64 Ų6459.4 Ų59.434%0.34233%0.325SS..Hα-helixtrans-76.8-31.8-178.5-73.2-14.3000111.6I22 D23 H28 S29 S38I22-D26 HydrophobicContact CD1-CB 4.2Å; I22-D26 HydrophobicContact CG1-CB 4Å; D23-D26 PolarHBondContact O-N 3.4Å; D26-H28 PolarHBondContact O-N 3.27Å; D26-S29 PolarHBondContact O-N 2.91Å; D26-S38 PolarHBondContact O-OG 2.96Å
27A96.9Very high95.9Very high0 Ų061.6 Ų61.60%035%0.345CS..Hα-helixtrans-58.6-32.1173.400000113L9 I22 D23 S38 H40L9-A27 HydrophobicContact CD1-CB 3.88Å; I22-A27 HydrophobicContact CD1-CB 4.18Å; I22-A27 HydrophobicContact CG1-CB 4.16Å; I22-A27 HydrophobicContact CG2-CB 3.88Å; D23-A27 PolarHBondContact O-N 2.85Å; A27-S38 WeakPolarHBondContact O-CB 3.45Å; A27-H40 PolarHBondContact O-CE1 2.8Å
28H96.6Very high95.9Very high10 Ų1057.9 Ų57.95%0.04633%0.325CS..THydrogen-bonded Turntrans-106.67.8-178.6-61.584.5000113.6T24 K25 D26 W30 H40 L65 H80 L135 G136T24-H28 PolarHBondContact O-N 3.1Å; T24-H28 PolarHBondContact O-ND1 2.71Å; K25-H28 PolarHBondContact O-N 2.86Å; D26-H28 PolarHBondContact O-N 3.27Å; H28-W30 PolarHBondContact O-N 2.97Å; H28-H40 AromaticContact CE1-NE2 3.58Å; H28-H40 AromaticContact NE2-NE2 3.66Å; H28-L65 HydrophobicContact CB-CD1 3.96Å; H28-L65 HydrophobicContact CB-CD2 4.22Å; H28-H80 AromaticContact CE1-CE1 3.49Å; H28-H80 PolarHBondContact CE1-CE1 2.9Å; H28-H80 VanDerWaalsContact CE1-CE1 3.49Å; H28-H80 AromaticContact CE1-NE2 3.74Å; H28-H80 AromaticContact NE2-CE1 3.47Å; H28-H80 PolarHBondContact NE2-CE1 2.61Å; H28-H80 AromaticContact NE2-NE2 3.55Å; H28-L135 WeakPolarHBondContact O-CA 3.45Å; H28-L135 WeakPolarHBondContact O-CD2 3.47Å; H28-G136 VanDerWaalsContact CA-O 3.31Å; H28-G136 WeakPolarHBondContact CA-O 3.44Å; H28-G136 PolarHBondContact O-N 2.87Å; H28-G136 VanDerWaalsContact O-N 3.12Å
29S96.5Very high95.9Very high29 Ų2955.3 Ų55.320%0.20331%0.309CS..BIsolated β-bridgetrans-77.1118.3174.8172.60000110K25 D26 A31 Q32 I33K25-S29 PolarHBondContact O-N 2.93Å; D26-S29 PolarHBondContact O-N 2.91Å; S29-A31 VanDerWaalsContact C-N 3.27Å; S29-A31 PolarHBondContact O-N 3.43Å; S29-Q32 PolarHBondContact O-N 3.49Å; S29-I33 WeakPolarHBondContact O-CG1 3.41Å; S29-I33 PolarHBondContact O-N 2.84Å
30W96.2Very high95.9Very high26 Ų2650.6 Ų50.610%0.09828%0.28CS..Hα-helixtrans-59.6-39.6-178.7-170.9-109.7000112H28 Q32 I33 E34 K128 Q130 E133 D134H28-W30 PolarHBondContact O-N 2.97Å; W30-Q32 PolarHBondContact O-N 3.3Å; W30-I33 HydrophobicContact CE3-CB 4.15Å; W30-I33 HydrophobicContact CE3-CD1 4.03Å; W30-I33 HydrophobicContact CE3-CG2 3.88Å; W30-I33 HydrophobicContact CH2-CG2 4.34Å; W30-I33 HydrophobicContact CZ3-CB 4.48Å; W30-I33 HydrophobicContact CZ3-CD1 4.46Å; W30-I33 HydrophobicContact CZ3-CG2 3.72Å; W30-I33 WeakPolarHBondContact O-CB 3.47Å; W30-I33 PolarHBondContact O-N 3.1Å; W30-I33 VanDerWaalsContact O-N 3.17Å; W30-E34 HydrophobicContact CD2-CG 4.32Å; W30-E34 HydrophobicContact CG-CG 4.4Å; W30-E34 HydrophobicContact CZ2-CG 4.18Å; W30-E34 PolarHBondContact NE1-OE1 3.03Å; W30-E34 WeakPolarHBondContact O-CG 3.24Å; W30-E34 PolarHBondContact O-N 2.89Å; W30-K128 HydrophobicContact CH2-CD 4.1Å; W30-K128 HydrophobicContact CH2-CG 3.91Å; W30-K128 HydrophobicContact CZ3-CD 4.41Å; W30-K128 HydrophobicContact CZ3-CG 3.98Å; W30-Q130 VanDerWaalsContact CD1-NE2 3.32Å; W30-Q130 HydrophobicContact CD2-CB 4.17Å; W30-Q130 HydrophobicContact CD2-CG 3.72Å; W30-Q130 HydrophobicContact CE3-CB 4.02Å; W30-Q130 HydrophobicContact CE3-CG 3.97Å; W30-Q130 HydrophobicContact CG-CG 4.22Å; W30-Q130 HydrophobicContact CH2-CB 3.62Å; W30-Q130 HydrophobicContact CH2-CG 4.23Å; W30-Q130 HydrophobicContact CZ2-CB 3.79Å; W30-Q130 HydrophobicContact CZ2-CG 4.01Å; W30-Q130 HydrophobicContact CZ3-CB 3.74Å; W30-Q130 HydrophobicContact CZ3-CG 4.22Å; W30-E133 WeakPolarHBondContact CB-O 3.46Å; W30-D134 VanDerWaalsContact CB-C 3.47Å; W30-D134 PolarHBondContact N-O 2.9Å
31A96.8Very high96Very high48 Ų4851.1 Ų51.140%0.39728%0.276SS..Hα-helixtrans-60.8-32.3176.100000113.2S29 R35S29-A31 VanDerWaalsContact C-N 3.27Å; S29-A31 PolarHBondContact O-N 3.43Å; A31-R35 WeakPolarHBondContact O-CD 3.34Å; A31-R35 VanDerWaalsContact O-CG 3.23Å; A31-R35 WeakPolarHBondContact O-CG 3.41Å; A31-R35 PolarHBondContact O-N 3.01Å
32Q96.4Very high96Very high60 Ų6048 Ų4828%0.2826%0.255SS..Hα-helixtrans-81.8-36.1176.1-61.9-74.513.400111.6S29 W30 R35 G36 A37 S38S29-Q32 PolarHBondContact O-N 3.49Å; W30-Q32 PolarHBondContact O-N 3.3Å; Q32-R35 PolarHBondContact O-N 3.42Å; Q32-G36 PolarHBondContact O-N 3.27Å; Q32-A37 PolarHBondContact O-N 2.74Å; Q32-S38 WeakPolarHBondContact CB-OG 3.36Å
33I96.5Very high96.1Very high3 Ų347.1 Ų47.12%0.01525%0.25CC..Hα-helixtrans-58.7-46.8171.8-70.6167.6000110.9S29 W30 R35 G36 K128 G136 H138S29-I33 WeakPolarHBondContact O-CG1 3.41Å; S29-I33 PolarHBondContact O-N 2.84Å; W30-I33 HydrophobicContact CE3-CB 4.15Å; W30-I33 HydrophobicContact CE3-CD1 4.03Å; W30-I33 HydrophobicContact CE3-CG2 3.88Å; W30-I33 HydrophobicContact CH2-CG2 4.34Å; W30-I33 HydrophobicContact CZ3-CB 4.48Å; W30-I33 HydrophobicContact CZ3-CD1 4.46Å; W30-I33 HydrophobicContact CZ3-CG2 3.72Å; W30-I33 WeakPolarHBondContact O-CB 3.47Å; W30-I33 PolarHBondContact O-N 3.1Å; W30-I33 VanDerWaalsContact O-N 3.17Å; I33-R35 VanDerWaalsContact C-N 3.25Å; I33-R35 PolarHBondContact O-N 2.72Å; I33-G36 WeakPolarHBondContact O-CA 3.25Å; I33-G36 PolarHBondContact O-N 3.27Å; I33-K128 HydrophobicContact CG2-CD 3.69Å; I33-K128 HydrophobicContact CG2-CG 4.01Å; I33-G136 VanDerWaalsContact CD1-C 3.44Å; I33-G136 WeakPolarHBondContact CD1-O 3.31Å; I33-H138 HydrophobicContact CB-CB 4.36Å; I33-H138 HydrophobicContact CD1-CB 4.23Å; I33-H138 HydrophobicContact CG1-CB 3.91Å; I33-H138 HydrophobicContact CG2-CB 3.67Å
34E94.9Very high96.2Very high133 Ų13344.6 Ų44.662%0.62124%0.236SC*.Hα-helixtrans-63.8-30.7178.5-74.3-172.7135.700112.9W30 G36W30-E34 HydrophobicContact CD2-CG 4.32Å; W30-E34 HydrophobicContact CG-CG 4.4Å; W30-E34 HydrophobicContact CZ2-CG 4.18Å; W30-E34 PolarHBondContact NE1-OE1 3.03Å; W30-E34 WeakPolarHBondContact O-CG 3.24Å; W30-E34 PolarHBondContact O-N 2.89Å; E34-G36 PolarHBondContact O-N 3.12Å
35R94.7Very high96.3Very high194 Ų19442.5 Ų42.573%0.73222%0.223SC*.THydrogen-bonded Turntrans-77.5-5.2173.3-68171.6-171.5-1691.9113.3A31 Q32 I33 A37A31-R35 WeakPolarHBondContact O-CD 3.34Å; A31-R35 VanDerWaalsContact O-CG 3.23Å; A31-R35 WeakPolarHBondContact O-CG 3.41Å; A31-R35 PolarHBondContact O-N 3.01Å; Q32-R35 PolarHBondContact O-N 3.42Å; I33-R35 VanDerWaalsContact C-N 3.25Å; I33-R35 PolarHBondContact O-N 2.72Å; R35-A37 VanDerWaalsContact C-N 3.28Å; R35-A37 PolarHBondContact O-N 3.46Å
36G92.8Very high96.4Very high53 Ų5334.5 Ų34.555%0.54619%0.189SC..THydrogen-bonded Turntrans72.617.7-176.900000114.1Q32 I33 E34Q32-G36 PolarHBondContact O-N 3.27Å; I33-G36 WeakPolarHBondContact O-CA 3.25Å; I33-G36 PolarHBondContact O-N 3.27Å; E34-G36 PolarHBondContact O-N 3.12Å
37A91.6Very high96.4Very high59 Ų5931.5 Ų31.549%0.48817%0.173SC..  trans-96.3-6.8-174.500000114Q32 R35Q32-A37 PolarHBondContact O-N 2.74Å; R35-A37 VanDerWaalsContact C-N 3.28Å; R35-A37 PolarHBondContact O-N 3.46Å
38S95.8Very high96.4Very high0 Ų031.5 Ų31.50%017%0.173CC..  trans-113.813.3-170.6-64.30000115.6D26 A27 Q32 H40D26-S38 PolarHBondContact O-OG 2.96Å; A27-S38 WeakPolarHBondContact O-CB 3.45Å; Q32-S38 WeakPolarHBondContact CB-OG 3.36Å; S38-H40 PolarHBondContact O-N 2.84Å; S38-H40 PolarHBondContact O-ND1 2.82Å
39L98.1Very high96.3Very high12 Ų1231.8 Ų31.86%0.06318%0.175CC..  trans-63.7123.2175.2-179.859.9000109.7V12 T14 L126 L140V12-L39 HydrophobicContact CG2-CD2 4.32Å; V12-L39 HydrophobicContact CG2-CG 3.93Å; V12-L39 PolarHBondContact N-O 3.17Å; T14-L39 HydrophobicContact CG2-CD2 4.01Å; L39-L126 HydrophobicContact CD1-CD1 3.57Å; L39-L126 HydrophobicContact CD2-CD1 4.19Å; L39-L140 HydrophobicContact CD1-CB 4.43Å
40H98.5Very high96.1Very high0 Ų034.9 Ų34.90%020%0.196CC..EExtended strand (participates in β ladder)trans-137.4156.8-178.360-76.7000111.2I10 I22 A27 H28 S38 H80 H138 E139 L140I10-H40 CarbonylContact O-C 3.55Å; I10-H40 VanDerWaalsContact O-CA 3.25Å; I10-H40 WeakPolarHBondContact O-CA 3.43Å; I10-H40 WeakPolarHBondContact O-CB 3.19Å; I22-H40 HydrophobicContact CG2-CB 4.1Å; A27-H40 PolarHBondContact O-CE1 2.8Å; H28-H40 AromaticContact CE1-NE2 3.58Å; H28-H40 AromaticContact NE2-NE2 3.66Å; S38-H40 PolarHBondContact O-N 2.84Å; S38-H40 PolarHBondContact O-ND1 2.82Å; H40-H80 AromaticContact CD2-CD2 3.53Å; H40-H80 AromaticContact CD2-NE2 3.85Å; H40-H80 AromaticContact NE2-CD2 3.57Å; H40-H80 AromaticContact NE2-NE2 3.37Å; H40-H80 PolarHBondContact NE2-NE2 3.28Å; H40-H138 PolarHBondContact N-O 3.08Å; H40-H138 PolarHBondContact ND1-O 2.82Å; H40-E139 IonicContact NE2-OE1 3.68Å; H40-E139 PolarHBondContact NE2-OE1 2.88Å; H40-E139 WeakPolarHBondContact O-CA 3.36Å; H40-L140 PolarHBondContact O-N 3.32Å
41R98.6Very high96Very high32 Ų3241 Ų4112%0.12123%0.226CC..EExtended strand (participates in β ladder)trans-75.2140.7178-167.7172.9-68.9159.6-0.3110I10 V12 D16 P81 I97 Y142I10-R41 HydrophobicContact CB-CB 4.29Å; I10-R41 PolarHBondContact O-N 2.78Å; V12-R41 HydrophobicContact CG1-CB 4.15Å; D16-R41 VanDerWaalsContact CG-NH2 3.28Å; D16-R41 PolarHBondContact O-NH2 2.9Å; D16-R41 IonicContact OD1-CZ 2.7Å; D16-R41 IonicContact OD1-NE 2.77Å; D16-R41 PolarHBondContact OD1-NE 3.36Å; D16-R41 IonicContact OD1-NH2 3.05Å; D16-R41 PolarHBondContact OD1-NH2 3.5Å; D16-R41 IonicContact OD2-CZ 3.76Å; D16-R41 IonicContact OD2-NE 3.92Å; D16-R41 IonicContact OD2-NH2 3.28Å; R41-P81 HydrophobicContact CB-CG 3.98Å; R41-P81 HydrophobicContact CG-CG 3.94Å; R41-P81 WeakPolarHBondContact O-CD 3.42Å; R41-I97 HydrophobicContact CG-CD1 4.25Å; R41-Y142 HydrophobicContact CG-CD2 3.91Å; R41-Y142 HydrophobicContact CG-CE2 3.79Å
42A98.5Very high95.8Very high0 Ų039.7 Ų39.70%022%0.216CC..EExtended strand (participates in β ladder)trans-138.4175.6176.400000110.9S79 E139 L140 D141 Y142A42-S79 CarbonylContact C-O 3.15Å; A42-S79 WeakPolarHBondContact CA-O 3.31Å; A42-E139 HydrophobicContact CB-CB 3.85Å; A42-E139 HydrophobicContact CB-CG 3.87Å; A42-E139 WeakPolarHBondContact CB-OE2 3.44Å; A42-L140 PolarHBondContact N-O 3.2Å; A42-D141 HydrophobicContact CB-CB 4.48Å; A42-Y142 PolarHBondContact O-N 2.88Å
43F98.4Very high95.7Very high1 Ų138.2 Ų38.20%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-143151.1168.363-95.9000112.3V45 C78 S79 I97 A100 A101 K104 D141 Y142 I144F43-V45 HydrophobicContact CD2-CG2 3.91Å; F43-V45 HydrophobicContact CE2-CG2 4.14Å; F43-C78 VanDerWaalsContact O-CA 3.31Å; F43-C78 WeakPolarHBondContact O-CA 3.21Å; F43-S79 WeakPolarHBondContact CD1-O 3.17Å; F43-S79 PolarHBondContact N-O 2.94Å; F43-S79 PolarHBondContact O-N 2.75Å; F43-S79 VanDerWaalsContact O-N 3.11Å; F43-I97 HydrophobicContact CB-CD1 3.92Å; F43-I97 HydrophobicContact CB-CG1 3.88Å; F43-I97 HydrophobicContact CD1-CD1 3.76Å; F43-I97 HydrophobicContact CD1-CG1 4.24Å; F43-I97 HydrophobicContact CG-CD1 4.29Å; F43-I97 HydrophobicContact CG-CG1 4.42Å; F43-A100 HydrophobicContact CD1-CB 4.1Å; F43-A100 HydrophobicContact CE1-CB 3.53Å; F43-A100 HydrophobicContact CZ-CB 4.35Å; F43-A101 HydrophobicContact CD2-CB 4.02Å; F43-A101 HydrophobicContact CE2-CB 3.94Å; F43-A101 HydrophobicContact CG-CB 4.44Å; F43-A101 HydrophobicContact CZ-CB 4.28Å; F43-K104 HydrophobicContact CE2-CB 4.36Å; F43-K104 HydrophobicContact CZ-CB 3.85Å; F43-K104 HydrophobicContact CZ-CG 3.9Å; F43-D141 WeakPolarHBondContact CA-OD1 3.42Å; F43-D141 PolarHBondContact N-OD1 3.01Å; F43-Y142 CarbonylContact C-O 3.58Å; F43-Y142 VanDerWaalsContact CA-O 3.29Å; F43-Y142 WeakPolarHBondContact CA-O 3.48Å; F43-I144 HydrophobicContact CB-CD1 3.83Å; F43-I144 HydrophobicContact CG-CD1 4.38Å
44S97.9Very high95.7Very high1 Ų138.1 Ų38.11%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-125.7111.5172.8-79.80000109.9D141 Y142 I144S44-D141 VanDerWaalsContact CB-OD2 3.29Å; S44-D141 WeakPolarHBondContact CB-OD2 3.35Å; S44-D141 PolarHBondContact N-OD1 2.89Å; S44-D141 PolarHBondContact OG-OD1 2.98Å; S44-D141 PolarHBondContact OG-OD2 2.97Å; S44-Y142 PolarHBondContact N-O 3.41Å; S44-I144 PolarHBondContact O-N 3.14Å
45V97.5Very high95.8Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-86.8131.4175.1-177.80000110.4F43 N75 T76 C77 A101 M105 I144 T146F43-V45 HydrophobicContact CD2-CG2 3.91Å; F43-V45 HydrophobicContact CE2-CG2 4.14Å; V45-N75 PolarHBondContact O-ND2 3.03Å; V45-T76 VanDerWaalsContact O-CB 3.32Å; V45-T76 WeakPolarHBondContact O-CB 3.49Å; V45-T76 PolarHBondContact O-N 3.33Å; V45-T76 VanDerWaalsContact O-N 3.16Å; V45-C77 HydrophobicContact CB-CB 4.12Å; V45-C77 HydrophobicContact CG2-CB 4.38Å; V45-C77 PolarHBondContact N-O 3.1Å; V45-C77 PolarHBondContact O-N 3.23Å; V45-A101 HydrophobicContact CG2-CB 3.79Å; V45-M105 HydrophobicContact CB-SD 4.41Å; V45-M105 HydrophobicContact CG1-CG 4.48Å; V45-M105 HydrophobicContact CG1-SD 4.04Å; V45-M105 HydrophobicContact CG2-CG 4.48Å; V45-I144 CarbonylContact C-O 3.52Å; V45-I144 VanDerWaalsContact CA-O 3.26Å; V45-I144 WeakPolarHBondContact CA-O 3.15Å; V45-I144 HydrophobicContact CG2-CB 4.37Å; V45-T146 HydrophobicContact CG1-CG2 3.71Å
46F96.4Very high96Very high0 Ų022.5 Ų22.50%015%0.146CC..EExtended strand (participates in β ladder)trans-115.3104.2169.6-64.4-106.1000107.7F48 M54 N75 I143 I144 F145 T146 F190 I193 L198F46-F48 HydrophobicContact CB-CE2 3.66Å; F46-F48 HydrophobicContact CB-CZ 4.08Å; F46-F48 WeakPolarHBondContact O-CD2 3.13Å; F46-M54 HydrophobicContact CD1-SD 3.54Å; F46-M54 VanDerWaalsContact CD1-SD 3.54Å; F46-M54 HydrophobicContact CE1-SD 4.24Å; F46-N75 HydrophobicContact CD1-CB 3.89Å; F46-N75 HydrophobicContact CD2-CB 4.48Å; F46-N75 HydrophobicContact CE1-CB 3.6Å; F46-N75 HydrophobicContact CE2-CB 4.22Å; F46-N75 HydrophobicContact CG-CB 4.29Å; F46-N75 HydrophobicContact CZ-CB 3.76Å; F46-I143 HydrophobicContact CD2-CG2 3.82Å; F46-I143 HydrophobicContact CE2-CD1 4.41Å; F46-I143 HydrophobicContact CE2-CG2 3.74Å; F46-I144 PolarHBondContact N-O 3.02Å; F46-F145 HydrophobicContact CB-CD1 3.65Å; F46-F145 HydrophobicContact CB-CE1 3.66Å; F46-F145 HydrophobicContact CB-CG 4.49Å; F46-F145 HydrophobicContact CB-CZ 4.5Å; F46-F145 HydrophobicContact CD1-CE1 4.42Å; F46-F145 HydrophobicContact CD2-CD1 4.17Å; F46-F145 AromaticContact CD2-CE1 3.88Å; F46-F145 HydrophobicContact CD2-CE1 3.88Å; F46-F145 HydrophobicContact CG-CD1 4.12Å; F46-F145 AromaticContact CG-CE1 3.73Å; F46-F145 HydrophobicContact CG-CE1 3.73Å; F46-F145 WeakPolarHBondContact O-CA 3.35Å; F46-T146 PolarHBondContact O-N 2.8Å; F46-F190 AromaticContact CE1-CD2 3.99Å; F46-F190 HydrophobicContact CE1-CD2 3.99Å; F46-F190 AromaticContact CE1-CE2 3.85Å; F46-F190 HydrophobicContact CE1-CE2 3.85Å; F46-F190 HydrophobicContact CZ-CD2 4.31Å; F46-I193 HydrophobicContact CE1-CG2 4Å; F46-I193 HydrophobicContact CE2-CD1 4.25Å; F46-I193 HydrophobicContact CE2-CG2 4.42Å; F46-I193 HydrophobicContact CZ-CB 4.29Å; F46-I193 HydrophobicContact CZ-CD1 3.86Å; F46-I193 HydrophobicContact CZ-CG2 3.59Å; F46-L198 HydrophobicContact CD1-CD1 3.9Å; F46-L198 HydrophobicContact CE1-CD1 4.05Å; F46-L198 HydrophobicContact CE1-CD2 4.39Å
47L95.8Very high96.2Very high0 Ų020 Ų200%012%0.12CC..EExtended strand (participates in β ladder)trans-91.2134.6175172.479.7000109.8M54 L55 T76 T146 L150 Y164L47-M54 CarbonylContact O-C 3.57Å; L47-M54 WeakPolarHBondContact O-CA 3.39Å; L47-L55 HydrophobicContact CB-CB 4.26Å; L47-L55 HydrophobicContact CD2-CB 3.76Å; L47-L55 HydrophobicContact CD2-CD2 3.5Å; L47-L55 VanDerWaalsContact CD2-CD2 3.5Å; L47-L55 HydrophobicContact CD2-CG 4.26Å; L47-L55 HydrophobicContact CG-CB 4.38Å; L47-L55 PolarHBondContact O-N 2.86Å; L47-T76 HydrophobicContact CB-CG2 3.69Å; L47-T76 WeakPolarHBondContact CB-OG1 3.23Å; L47-T76 HydrophobicContact CD2-CG2 4.26Å; L47-T76 PolarHBondContact N-OG1 2.59Å; L47-T146 WeakPolarHBondContact CA-O 3.3Å; L47-T146 HydrophobicContact CB-CG2 4.03Å; L47-T146 HydrophobicContact CD1-CG2 3.65Å; L47-T146 HydrophobicContact CG-CG2 4.46Å; L47-L150 HydrophobicContact CD1-CD2 3.85Å; L47-L150 HydrophobicContact CD2-CD1 4.3Å; L47-L150 HydrophobicContact CD2-CD2 3.21Å; L47-L150 HydrophobicContact CD2-CG 3.62Å; L47-L150 HydrophobicContact CG-CD2 4.16Å; L47-Y164 HydrophobicContact CD2-CE1 4.47Å; L47-Y164 WeakPolarHBondContact CD2-OH 3.17Å
48F95.1Very high96.4Very high0 Ų018.3 Ų18.30%010%0.101CC..EExtended strand (participates in β ladder)trans-122145.5171.5-54.4-101.3000111.4F46 D53 M54 F145 T146 Q147 S148 L198 W202 I205F46-F48 HydrophobicContact CB-CE2 3.66Å; F46-F48 HydrophobicContact CB-CZ 4.08Å; F46-F48 WeakPolarHBondContact O-CD2 3.13Å; F48-D53 CarbonylContact C-O 3.01Å; F48-D53 WeakPolarHBondContact CA-O 3.32Å; F48-M54 HydrophobicContact CD1-CB 3.72Å; F48-M54 HydrophobicContact CD1-CG 4.2Å; F48-M54 HydrophobicContact CE1-CB 3.69Å; F48-M54 HydrophobicContact CE1-CG 3.94Å; F48-M54 HydrophobicContact CE1-SD 4.13Å; F48-M54 HydrophobicContact CZ-CG 4.31Å; F48-M54 HydrophobicContact CZ-SD 4.2Å; F48-F145 HydrophobicContact CE2-CD1 4.32Å; F48-F145 AromaticContact CE2-CD2 3.87Å; F48-F145 HydrophobicContact CE2-CD2 3.87Å; F48-F145 HydrophobicContact CE2-CE1 4.36Å; F48-F145 AromaticContact CE2-CE2 3.91Å; F48-F145 HydrophobicContact CE2-CE2 3.91Å; F48-F145 HydrophobicContact CE2-CG 4.06Å; F48-F145 HydrophobicContact CE2-CZ 4.16Å; F48-F145 HydrophobicContact CZ-CE2 4.1Å; F48-F145 HydrophobicContact CZ-CZ 4.16Å; F48-T146 PolarHBondContact N-O 3.23Å; F48-Q147 HydrophobicContact CB-CG 4.34Å; F48-Q147 VanDerWaalsContact O-CA 3.25Å; F48-Q147 WeakPolarHBondContact O-CA 3.29Å; F48-S148 PolarHBondContact O-N 3.34Å; F48-L198 HydrophobicContact CZ-CD1 4.4Å; F48-W202 AromaticContact CD1-CE2 3.99Å; F48-W202 HydrophobicContact CD1-CZ2 4.27Å; F48-W202 AromaticContact CD1-NE1 3.81Å; F48-W202 AromaticContact CE1-CD1 3.97Å; F48-W202 AromaticContact CE1-CD2 3.84Å; F48-W202 HydrophobicContact CE1-CD2 3.84Å; F48-W202 AromaticContact CE1-CE2 3.58Å; F48-W202 HydrophobicContact CE1-CE3 4.46Å; F48-W202 HydrophobicContact CE1-CG 4.09Å; F48-W202 HydrophobicContact CE1-CZ2 4.02Å; F48-W202 AromaticContact CE1-NE1 3.65Å; F48-I205 HydrophobicContact CB-CD1 3.28Å; F48-I205 HydrophobicContact CD1-CD1 3.42Å; F48-I205 VanDerWaalsContact CD1-CD1 3.42Å; F48-I205 HydrophobicContact CD2-CD1 3.12Å; F48-I205 HydrophobicContact CD2-CG1 4.25Å; F48-I205 HydrophobicContact CE1-CD1 3.92Å; F48-I205 HydrophobicContact CE2-CD1 3.64Å; F48-I205 HydrophobicContact CE2-CG1 4.49Å; F48-I205 HydrophobicContact CG-CD1 2.97Å; F48-I205 HydrophobicContact CG-CG1 4.39Å; F48-I205 HydrophobicContact CZ-CD1 4.01Å
49N94.8Very high96.4Very high17 Ų1719 Ų199%0.09110%0.104CC..  trans-83.7178.9171.470.510.3000111.1E51 G52 D53 D149 Y164N49-E51 PolarHBondContact O-N 3.41Å; N49-E51 WeakPolarHBondContact OD1-CA 3.39Å; N49-E51 WeakPolarHBondContact OD1-CB 3.49Å; N49-E51 PolarHBondContact OD1-N 3.2Å; N49-G52 PolarHBondContact O-N 3.49Å; N49-G52 VanDerWaalsContact O-N 3.1Å; N49-G52 PolarHBondContact OD1-N 2.92Å; N49-D53 PolarHBondContact N-O 2.89Å; N49-D53 PolarHBondContact OD1-N 2.9Å; N49-D53 PolarHBondContact OD1-O 3.31Å; N49-D149 WeakPolarHBondContact CB-OD1 3.49Å; N49-Y164 HydrophobicContact CB-CD1 4.13Å; N49-Y164 HydrophobicContact CB-CE1 3.65Å
50S92.8Very high96.1Very high93 Ų9318.5 Ų18.565%0.6510%0.101SC*.THydrogen-bonded Turntrans-66.3-19.7177.556.40000114.2G52 D149S50-G52 VanDerWaalsContact C-N 3.27Å; S50-D149 VanDerWaalsContact CB-OD1 3.23Å; S50-D149 WeakPolarHBondContact CB-OD1 3.28Å; S50-D149 WeakPolarHBondContact CB-OD2 3.11Å; S50-D149 PolarHBondContact N-OD1 3.04Å; S50-D149 VanDerWaalsContact OG-CG 3.25Å; S50-D149 PolarHBondContact OG-OD1 2.89Å; S50-D149 PolarHBondContact OG-OD2 2.99Å
51E93.5Very high95.5Very high156 Ų15621 Ų2173%0.72912%0.122SC*.THydrogen-bonded Turntrans-81.6-8.7173.9-57.5-173.9165.500112.4N49N49-E51 PolarHBondContact O-N 3.41Å; N49-E51 WeakPolarHBondContact OD1-CA 3.39Å; N49-E51 WeakPolarHBondContact OD1-CB 3.49Å; N49-E51 PolarHBondContact OD1-N 3.2Å
52G93.2Very high94.9Very high19 Ų1927.1 Ų27.120%0.19615%0.149CC..SBendtrans85.28.7-176.400000113.8N49 S50 W202N49-G52 PolarHBondContact O-N 3.49Å; N49-G52 VanDerWaalsContact O-N 3.1Å; N49-G52 PolarHBondContact OD1-N 2.92Å; S50-G52 VanDerWaalsContact C-N 3.27Å; G52-W202 PolarHBondContact O-NE1 2.66Å
53D95.3Very high94.3Very high30 Ų3028.6 Ų28.616%0.1616%0.156CC..  trans-80.3144174.4-68.5-16.7000111F48 N49 Y164 V165 S166F48-D53 CarbonylContact C-O 3.01Å; F48-D53 WeakPolarHBondContact CA-O 3.32Å; N49-D53 PolarHBondContact N-O 2.89Å; N49-D53 PolarHBondContact OD1-N 2.9Å; N49-D53 PolarHBondContact OD1-O 3.31Å; D53-Y164 HydrophobicContact CB-CD1 4.18Å; D53-V165 WeakPolarHBondContact CA-O 3.37Å; D53-S166 WeakPolarHBondContact OD1-CA 3.43Å; D53-S166 WeakPolarHBondContact OD1-CB 3.42Å; D53-S166 PolarHBondContact OD1-N 2.88Å
54M96.3Very high93.8Very high0 Ų034.1 Ų34.10%019%0.185CC..EExtended strand (participates in β ladder)trans-96136.8-178.3-175.6177.373.200111.4F46 L47 F48 I56 Y164 V165 L170 F190 L198 W202F46-M54 HydrophobicContact CD1-SD 3.54Å; F46-M54 VanDerWaalsContact CD1-SD 3.54Å; F46-M54 HydrophobicContact CE1-SD 4.24Å; L47-M54 CarbonylContact O-C 3.57Å; L47-M54 WeakPolarHBondContact O-CA 3.39Å; F48-M54 HydrophobicContact CD1-CB 3.72Å; F48-M54 HydrophobicContact CD1-CG 4.2Å; F48-M54 HydrophobicContact CE1-CB 3.69Å; F48-M54 HydrophobicContact CE1-CG 3.94Å; F48-M54 HydrophobicContact CE1-SD 4.13Å; F48-M54 HydrophobicContact CZ-CG 4.31Å; F48-M54 HydrophobicContact CZ-SD 4.2Å; M54-I56 HydrophobicContact CE-CG2 3.52Å; M54-I56 PolarHBondContact O-N 3.45Å; M54-Y164 CarbonylContact O-C 3.18Å; M54-Y164 WeakPolarHBondContact O-CA 3.37Å; M54-V165 HydrophobicContact CE-CG2 4.44Å; M54-V165 PolarHBondContact N-O 2.89Å; M54-V165 WeakPolarHBondContact O-CG2 3.37Å; M54-V165 PolarHBondContact O-N 3.01Å; M54-L170 HydrophobicContact CE-CD1 4.5Å; M54-L170 HydrophobicContact CE-CD2 3.77Å; M54-F190 HydrophobicContact CE-CE2 3.65Å; M54-F190 HydrophobicContact CE-CZ 3.55Å; M54-L198 HydrophobicContact CE-CD2 4.02Å; M54-L198 HydrophobicContact SD-CD1 4.39Å; M54-L198 HydrophobicContact SD-CD2 4.06Å; M54-W202 HydrophobicContact CB-CH2 3.44Å; M54-W202 VanDerWaalsContact CB-CH2 3.44Å; M54-W202 HydrophobicContact CB-CZ2 3.53Å; M54-W202 HydrophobicContact CB-CZ3 4.24Å; M54-W202 HydrophobicContact CE-CH2 4.17Å; M54-W202 HydrophobicContact CE-CZ3 4.09Å; M54-W202 HydrophobicContact CG-CH2 4.49Å; M54-W202 HydrophobicContact SD-CH2 4.34Å; M54-W202 HydrophobicContact SD-CZ3 4.26Å
55L97.2Very high93.1Very high0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans-80.2115.7172.1-173.761.6000110.7L47 T76 F109 L150 P152 Y164L47-L55 HydrophobicContact CB-CB 4.26Å; L47-L55 HydrophobicContact CD2-CB 3.76Å; L47-L55 HydrophobicContact CD2-CD2 3.5Å; L47-L55 VanDerWaalsContact CD2-CD2 3.5Å; L47-L55 HydrophobicContact CD2-CG 4.26Å; L47-L55 HydrophobicContact CG-CB 4.38Å; L47-L55 PolarHBondContact O-N 2.86Å; L55-T76 HydrophobicContact CB-CG2 4.14Å; L55-T76 HydrophobicContact CD2-CG2 3.78Å; L55-T76 HydrophobicContact CG-CG2 4.1Å; L55-T76 WeakPolarHBondContact O-CA 3.36Å; L55-T76 WeakPolarHBondContact O-CB 3.35Å; L55-T76 PolarHBondContact O-N 2.86Å; L55-T76 PolarHBondContact O-OG1 3.15Å; L55-F109 HydrophobicContact CD2-CE1 4.14Å; L55-F109 HydrophobicContact CD2-CZ 4.31Å; L55-L150 HydrophobicContact CD2-CD1 4.27Å; L55-P152 HydrophobicContact CD1-CG 4.11Å; L55-P152 HydrophobicContact CD2-CB 4.17Å; L55-P152 HydrophobicContact CD2-CG 4.47Å; L55-Y164 HydrophobicContact CB-CD1 4.09Å; L55-Y164 HydrophobicContact CB-CE1 3.73Å; L55-Y164 HydrophobicContact CD1-CD1 4.48Å; L55-Y164 HydrophobicContact CD1-CD2 4.01Å; L55-Y164 HydrophobicContact CD1-CE1 4.43Å; L55-Y164 HydrophobicContact CD1-CE2 3.94Å; L55-Y164 HydrophobicContact CD1-CG 4.29Å
56I97.3Very high92.6Very high0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans-103155.3168.357.7168.5000110.8M54 W73 S74 T162 Q163 V165 L173 F190M54-I56 HydrophobicContact CE-CG2 3.52Å; M54-I56 PolarHBondContact O-N 3.45Å; I56-W73 HydrophobicContact CB-CE3 4.28Å; I56-W73 HydrophobicContact CD1-CD2 4.43Å; I56-W73 HydrophobicContact CD1-CE3 3.63Å; I56-W73 HydrophobicContact CD1-CZ3 3.95Å; I56-W73 HydrophobicContact CG1-CE3 3.83Å; I56-W73 HydrophobicContact CG1-CZ3 3.95Å; I56-S74 WeakPolarHBondContact CA-O 3.42Å; I56-S74 VanDerWaalsContact CB-O 3.32Å; I56-S74 WeakPolarHBondContact CB-O 3.39Å; I56-T162 WeakPolarHBondContact O-CA 3.39Å; I56-Q163 HydrophobicContact CG1-CB 4.12Å; I56-Q163 VanDerWaalsContact CG1-O 3.23Å; I56-Q163 WeakPolarHBondContact CG1-O 3.25Å; I56-Q163 PolarHBondContact N-O 3.19Å; I56-Q163 PolarHBondContact O-N 2.89Å; I56-V165 HydrophobicContact CD1-CG1 3.69Å; I56-V165 HydrophobicContact CD1-CG2 4.14Å; I56-V165 HydrophobicContact CG1-CG1 4.01Å; I56-V165 HydrophobicContact CG1-CG2 4.12Å; I56-V165 HydrophobicContact CG2-CG2 3.94Å; I56-L173 HydrophobicContact CD1-CD1 3.93Å; I56-F190 HydrophobicContact CG2-CZ 4.14Å
57Q96.9Very high91.9Very high1 Ų135.7 Ų35.71%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-127.5139.8179.768.1115.71.900111.7W73 S74 N75 V159 M161Q57-W73 VanDerWaalsContact C-CE3 3.47Å; Q57-W73 CarbonylContact O-C 3.55Å; Q57-W73 WeakPolarHBondContact O-CA 3.23Å; Q57-S74 PolarHBondContact N-O 2.97Å; Q57-S74 PolarHBondContact O-N 3.43Å; Q57-N75 WeakPolarHBondContact CG-O 3.13Å; Q57-V159 HydrophobicContact CB-CG1 3.83Å; Q57-M161 CarbonylContact C-O 3.35Å; Q57-M161 WeakPolarHBondContact CA-O 3.48Å
58K96.3Very high90.6Very high22 Ų2235.7 Ų35.710%0.09619%0.193CC..EExtended strand (participates in β ladder)trans-85.3119.3162.1-168.6-177.7178.9-169.40107.3G68 N71 W73 E160 M161K58-G68 VanDerWaalsContact CE-O 3.31Å; K58-G68 WeakPolarHBondContact CE-O 3.48Å; K58-N71 WeakPolarHBondContact CE-OD1 3.45Å; K58-N71 PolarHBondContact NZ-OD1 3.46Å; K58-W73 HydrophobicContact CB-CD2 3.81Å; K58-W73 HydrophobicContact CB-CE3 4.08Å; K58-W73 HydrophobicContact CB-CG 4.34Å; K58-W73 HydrophobicContact CB-CH2 4.19Å; K58-W73 HydrophobicContact CB-CZ2 3.91Å; K58-W73 HydrophobicContact CB-CZ3 4.26Å; K58-W73 HydrophobicContact CD-CZ2 4.33Å; K58-W73 HydrophobicContact CG-CD2 4.37Å; K58-W73 HydrophobicContact CG-CZ2 4.45Å; K58-E160 HydrophobicContact CB-CB 4.36Å; K58-E160 HydrophobicContact CD-CB 4.3Å; K58-E160 HydrophobicContact CD-CG 4.3Å; K58-E160 WeakPolarHBondContact CE-OE1 3.19Å; K58-E160 WeakPolarHBondContact CE-OE2 3.14Å; K58-E160 HydrophobicContact CG-CB 4.34Å; K58-E160 IonicContact NZ-OE1 2.73Å; K58-E160 PolarHBondContact NZ-OE1 3.16Å; K58-E160 IonicContact NZ-OE2 3.65Å; K58-E160 PolarHBondContact NZ-OE2 2.89Å; K58-E160 PolarHBondContact O-N 3.26Å; K58-M161 HydrophobicContact CB-CB 3.92Å; K58-M161 PolarHBondContact N-O 3.45Å
59R95.1Very high89.5Confident15 Ų1542 Ų426%0.05723%0.225CC..EExtended strand (participates in β ladder)trans-58.7148.8-178.8-67.9174.765.489.2-7.6109.9K63 L65 F66 G68 V72R59-K63 HydrophobicContact CB-CG 4.34Å; R59-L65 PolarHBondContact NE-O 3.2Å; R59-L65 PolarHBondContact NH2-O 3.38Å; R59-F66 WeakPolarHBondContact CD-O 3.36Å; R59-F66 PolarHBondContact NE-O 3.11Å; R59-G68 WeakPolarHBondContact O-CA 3.35Å; R59-G68 PolarHBondContact O-N 3.44Å; R59-V72 PolarHBondContact N-O 3.25Å
60A92.4Very high88.8Confident1 Ų143.9 Ų43.91%0.00824%0.24CC..PPolyproline II helixtrans-62.9149.7173.200000112K62 K63 G68 D157 E158A60-K62 PolarHBondContact O-N 3.33Å; A60-K62 VanDerWaalsContact O-N 3.15Å; A60-K63 HydrophobicContact CB-CG 4.39Å; A60-K63 PolarHBondContact O-N 3.26Å; A60-G68 PolarHBondContact O-N 2.95Å; A60-G68 VanDerWaalsContact O-N 3.1Å; A60-D157 VanDerWaalsContact CB-C 3.48Å; A60-D157 VanDerWaalsContact CB-O 3.27Å; A60-D157 WeakPolarHBondContact CB-O 3.22Å; A60-E158 WeakPolarHBondContact CB-O 3.36Å; A60-E158 PolarHBondContact N-O 3.19Å
61A85.8Confident88.5Confident53 Ų5341.7 Ų41.744%0.43822%0.221SC..THydrogen-bonded Turntrans-61.3-22.6177.700000113.7P67 I69A61-P67 WeakPolarHBondContact O-CB 3.24Å; A61-I69 HydrophobicContact CB-CB 4.25Å
62K87.1Confident88.5Confident160 Ų16034.7 Ų34.770%0.69619%0.189SC*.THydrogen-bonded Turntrans-88.6-4.5-177.9-60178.6-171.1166.50114.1A60 L64 D157A60-K62 PolarHBondContact O-N 3.33Å; A60-K62 VanDerWaalsContact O-N 3.15Å; K62-L64 PolarHBondContact O-N 2.87Å; K62-D157 IonicContact NZ-OD1 3.47Å; K62-D157 PolarHBondContact NZ-OD1 3.39Å
63K86Confident88.6Confident32 Ų3234.8 Ų34.814%0.13918%0.183CC..  trans-60.1135.4178.7-73-76.5-161.61770109.8R59 A60 P67 E108 E158R59-K63 HydrophobicContact CB-CG 4.34Å; A60-K63 HydrophobicContact CB-CG 4.39Å; A60-K63 PolarHBondContact O-N 3.26Å; K63-P67 WeakPolarHBondContact O-CB 3.3Å; K63-E108 IonicContact NZ-OE1 3.37Å; K63-E108 PolarHBondContact NZ-OE1 2.88Å; K63-E158 WeakPolarHBondContact CE-O 3.38Å; K63-E158 WeakPolarHBondContact CE-OE2 3.3Å; K63-E158 IonicContact NZ-OE2 3.99Å; K63-E158 PolarHBondContact NZ-OE2 2.77Å
64L86.2Confident88.7Confident117 Ų11733.4 Ų33.461%0.61318%0.176SC*.SBendtrans-64.5-43.2-177.3179.366.5000112.2K62 Y131 L135K62-L64 PolarHBondContact O-N 2.87Å; L64-Y131 WeakPolarHBondContact O-CE1 3.31Å; L64-L135 HydrophobicContact CD1-CD1 3.96Å; L64-L135 HydrophobicContact CG-CD1 4.05Å
65L83.5Confident88.7Confident9 Ų933.4 Ų33.45%0.04718%0.176CC..SBendtrans-108.5137177.5-70.389.8000110.1H28 R59 Y131 L135 G136 E137H28-L65 HydrophobicContact CB-CD1 3.96Å; H28-L65 HydrophobicContact CB-CD2 4.22Å; R59-L65 PolarHBondContact NE-O 3.2Å; R59-L65 PolarHBondContact NH2-O 3.38Å; L65-Y131 HydrophobicContact CB-CD1 4.4Å; L65-Y131 HydrophobicContact CG-CD1 4.44Å; L65-L135 HydrophobicContact CD2-CB 4.49Å; L65-L135 HydrophobicContact CG-CB 4.43Å; L65-G136 VanDerWaalsContact CD2-C 3.44Å; L65-G136 WeakPolarHBondContact CD2-O 3.48Å; L65-E137 HydrophobicContact CD2-CG 3.83Å
66F87.1Confident88.7Confident16 Ų1633.4 Ų33.47%0.0718%0.176CC..SBendtrans47.959.3177.1-50.1-78.2000113.3R59 V72 A129 Y131 E137 P188 W189R59-F66 WeakPolarHBondContact CD-O 3.36Å; R59-F66 PolarHBondContact NE-O 3.11Å; F66-V72 HydrophobicContact CB-CG1 4.16Å; F66-V72 HydrophobicContact CB-CG2 4.38Å; F66-A129 HydrophobicContact CZ-CB 4.15Å; F66-Y131 AromaticContact CD1-CD2 3.52Å; F66-Y131 HydrophobicContact CD1-CD2 3.52Å; F66-Y131 HydrophobicContact CD1-CE2 4.3Å; F66-Y131 HydrophobicContact CD1-CG 4.08Å; F66-Y131 AromaticContact CE1-CD2 3.72Å; F66-Y131 HydrophobicContact CE1-CD2 3.72Å; F66-Y131 HydrophobicContact CE1-CG 4.07Å; F66-Y131 HydrophobicContact CG-CD2 4.09Å; F66-Y131 HydrophobicContact CG-CG 4.37Å; F66-Y131 HydrophobicContact CZ-CD2 4.45Å; F66-Y131 HydrophobicContact CZ-CG 4.35Å; F66-E137 HydrophobicContact CE2-CG 4.34Å; F66-P188 HydrophobicContact CD1-CG 4.3Å; F66-P188 HydrophobicContact CE1-CG 3.65Å; F66-P188 HydrophobicContact CZ-CG 3.83Å; F66-W189 HydrophobicContact CD2-CH2 4.19Å; F66-W189 AromaticContact CD2-CZ3 3.63Å; F66-W189 HydrophobicContact CD2-CZ3 3.63Å; F66-W189 AromaticContact CE2-CZ3 3.95Å; F66-W189 HydrophobicContact CE2-CZ3 3.95Å; F66-W189 HydrophobicContact CG-CZ3 4.3Å
67P83Confident88.7Confident9 Ų933.4 Ų33.46%0.05818%0.176CC..  trans-68.6153.9-17626.6-33.3000113.9A61 K63 I69 S70 V72 Y131A61-P67 WeakPolarHBondContact O-CB 3.24Å; K63-P67 WeakPolarHBondContact O-CB 3.3Å; P67-I69 HydrophobicContact CB-CG2 3.98Å; P67-I69 HydrophobicContact CG-CG2 3.81Å; P67-I69 PolarHBondContact O-N 3.08Å; P67-I69 VanDerWaalsContact O-N 3.15Å; P67-S70 PolarHBondContact O-N 3.36Å; P67-S70 VanDerWaalsContact O-N 3.1Å; P67-V72 WeakPolarHBondContact O-CG2 3.32Å; P67-Y131 WeakPolarHBondContact CD-OH 3.42Å; P67-Y131 WeakPolarHBondContact CG-OH 3.29Å
68G68.6Low88.7Confident0 Ų034.2 Ų34.20%018%0.181CC..G310 helixtrans-61.8-19.1175.600000115.7K58 R59 A60 S70 N71K58-G68 VanDerWaalsContact CE-O 3.31Å; K58-G68 WeakPolarHBondContact CE-O 3.48Å; R59-G68 WeakPolarHBondContact O-CA 3.35Å; R59-G68 PolarHBondContact O-N 3.44Å; A60-G68 PolarHBondContact O-N 2.95Å; A60-G68 VanDerWaalsContact O-N 3.1Å; G68-S70 PolarHBondContact O-N 2.85Å; G68-S70 VanDerWaalsContact O-N 3.16Å; G68-N71 VanDerWaalsContact O-CA 3.31Å; G68-N71 WeakPolarHBondContact O-CA 3.41Å; G68-N71 PolarHBondContact O-N 3.31Å
69I70.4Confident88.7Confident131 Ų13134.1 Ų34.167%0.67218%0.184SC*.G310 helixtrans-60.7-23.7174.5-161.1167.8000111.8A61 P67 N71A61-I69 HydrophobicContact CB-CB 4.25Å; P67-I69 HydrophobicContact CB-CG2 3.98Å; P67-I69 HydrophobicContact CG-CG2 3.81Å; P67-I69 PolarHBondContact O-N 3.08Å; P67-I69 VanDerWaalsContact O-N 3.15Å; I69-N71 VanDerWaalsContact C-N 3.3Å
70S80.4Confident88.9Confident58 Ų5834.7 Ų34.741%0.40619%0.187SC..G310 helixtrans-92.818.3171.9-57.50000113.1P67 G68 V72 S185P67-S70 PolarHBondContact O-N 3.36Å; P67-S70 VanDerWaalsContact O-N 3.1Å; G68-S70 PolarHBondContact O-N 2.85Å; G68-S70 VanDerWaalsContact O-N 3.16Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 3.27Å; S70-S185 PolarHBondContact O-OG 3.46Å
71N87.4Confident89.2Confident46 Ų4634.7 Ų34.725%0.24619%0.187CC..THydrogen-bonded Turntrans54.137.2-176.3-67.6-43.6000114.5K58 G68 I69 W73 K182 S185K58-N71 WeakPolarHBondContact CE-OD1 3.45Å; K58-N71 PolarHBondContact NZ-OD1 3.46Å; G68-N71 VanDerWaalsContact O-CA 3.31Å; G68-N71 WeakPolarHBondContact O-CA 3.41Å; G68-N71 PolarHBondContact O-N 3.31Å; I69-N71 VanDerWaalsContact C-N 3.3Å; N71-W73 PolarHBondContact O-N 2.83Å; N71-K182 PolarHBondContact ND2-O 3.26Å; N71-S185 PolarHBondContact O-N 3.26Å; N71-S185 VanDerWaalsContact O-O 3.1Å; N71-S185 PolarHBondContact O-OG 3.09Å
72V92Very high89.7Confident9 Ų934.3 Ų34.36%0.05518%0.177CC..EExtended strand (participates in β ladder)trans-79.5117.1-179.5-176.40000111.2R59 F66 P67 S70 S185R59-V72 PolarHBondContact N-O 3.25Å; F66-V72 HydrophobicContact CB-CG1 4.16Å; F66-V72 HydrophobicContact CB-CG2 4.38Å; P67-V72 WeakPolarHBondContact O-CG2 3.32Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 3.27Å; V72-S185 WeakPolarHBondContact CA-OG 3.48Å; V72-S185 WeakPolarHBondContact CG2-OG 3.38Å; V72-S185 PolarHBondContact N-OG 3.32Å
73W96.7Very high90.3Very high22 Ų2230.9 Ų30.98%0.08316%0.16CC..EExtended strand (participates in β ladder)trans-99.1159.3167.4-68.775.2000111.6I56 Q57 K58 N71 M161 Q163 I184 S185 F186 S187I56-W73 HydrophobicContact CB-CE3 4.28Å; I56-W73 HydrophobicContact CD1-CD2 4.43Å; I56-W73 HydrophobicContact CD1-CE3 3.63Å; I56-W73 HydrophobicContact CD1-CZ3 3.95Å; I56-W73 HydrophobicContact CG1-CE3 3.83Å; I56-W73 HydrophobicContact CG1-CZ3 3.95Å; Q57-W73 VanDerWaalsContact C-CE3 3.47Å; Q57-W73 CarbonylContact O-C 3.55Å; Q57-W73 WeakPolarHBondContact O-CA 3.23Å; K58-W73 HydrophobicContact CB-CD2 3.81Å; K58-W73 HydrophobicContact CB-CE3 4.08Å; K58-W73 HydrophobicContact CB-CG 4.34Å; K58-W73 HydrophobicContact CB-CH2 4.19Å; K58-W73 HydrophobicContact CB-CZ2 3.91Å; K58-W73 HydrophobicContact CB-CZ3 4.26Å; K58-W73 HydrophobicContact CD-CZ2 4.33Å; K58-W73 HydrophobicContact CG-CD2 4.37Å; K58-W73 HydrophobicContact CG-CZ2 4.45Å; N71-W73 PolarHBondContact O-N 2.83Å; W73-M161 HydrophobicContact CH2-CB 4.17Å; W73-M161 HydrophobicContact CH2-CG 3.83Å; W73-M161 HydrophobicContact CH2-SD 3.77Å; W73-M161 HydrophobicContact CZ2-CG 4.44Å; W73-M161 HydrophobicContact CZ2-SD 3.96Å; W73-Q163 HydrophobicContact CH2-CB 4.26Å; W73-Q163 HydrophobicContact CZ3-CB 4Å; W73-I184 HydrophobicContact CG-CD1 4.32Å; W73-I184 HydrophobicContact CG-CG1 4.31Å; W73-S185 PolarHBondContact N-O 3.09Å; W73-F186 HydrophobicContact CB-CD1 3.65Å; W73-F186 HydrophobicContact CB-CE1 3.57Å; W73-F186 HydrophobicContact CB-CZ 4.38Å; W73-F186 CarbonylContact O-C 3.54Å; W73-F186 VanDerWaalsContact O-CA 3.26Å; W73-F186 WeakPolarHBondContact O-CA 3.42Å; W73-S187 PolarHBondContact O-N 3.43Å
74S96.8Very high90.8Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-153.2178.2179.7-162.10000111I56 Q57 S187 W189I56-S74 WeakPolarHBondContact CA-O 3.42Å; I56-S74 VanDerWaalsContact CB-O 3.32Å; I56-S74 WeakPolarHBondContact CB-O 3.39Å; Q57-S74 PolarHBondContact N-O 2.97Å; Q57-S74 PolarHBondContact O-N 3.43Å; S74-S187 WeakPolarHBondContact CB-OG 3.32Å; S74-S187 PolarHBondContact OG-OG 2.92Å; S74-W189 VanDerWaalsContact OG-CZ2 3.29Å; S74-W189 WeakPolarHBondContact OG-CZ2 3.15Å; S74-W189 PolarHBondContact OG-NE1 2.91Å
75N96.8Very high91.3Very high0 Ų030.9 Ų30.90%018%0.175CC..SBendtrans-63.2177.6165.557.4-72.4000111.2V45 F46 Q57 C77 C78 W189 F190V45-N75 PolarHBondContact O-ND2 3.03Å; F46-N75 HydrophobicContact CD1-CB 3.89Å; F46-N75 HydrophobicContact CD2-CB 4.48Å; F46-N75 HydrophobicContact CE1-CB 3.6Å; F46-N75 HydrophobicContact CE2-CB 4.22Å; F46-N75 HydrophobicContact CG-CB 4.29Å; F46-N75 HydrophobicContact CZ-CB 3.76Å; Q57-N75 WeakPolarHBondContact CG-O 3.13Å; N75-C77 PolarHBondContact O-N 3.15Å; N75-C78 PolarHBondContact ND2-SG 3.11Å; N75-C78 PolarHBondContact OD1-SG 3.48Å; N75-W189 PolarHBondContact OD1-NE1 3.22Å; N75-F190 HydrophobicContact CB-CD2 3.57Å; N75-F190 HydrophobicContact CB-CE2 3.78Å
76T97Very high92Very high0 Ų036.8 Ų36.80%020%0.203CC..SBendtrans-54.4-55-166.5-45.10000113.9V45 L47 L55 M105 F109V45-T76 VanDerWaalsContact O-CB 3.32Å; V45-T76 WeakPolarHBondContact O-CB 3.49Å; V45-T76 PolarHBondContact O-N 3.33Å; V45-T76 VanDerWaalsContact O-N 3.16Å; L47-T76 HydrophobicContact CB-CG2 3.69Å; L47-T76 WeakPolarHBondContact CB-OG1 3.23Å; L47-T76 HydrophobicContact CD2-CG2 4.26Å; L47-T76 PolarHBondContact N-OG1 2.59Å; L55-T76 HydrophobicContact CB-CG2 4.14Å; L55-T76 HydrophobicContact CD2-CG2 3.78Å; L55-T76 HydrophobicContact CG-CG2 4.1Å; L55-T76 WeakPolarHBondContact O-CA 3.36Å; L55-T76 WeakPolarHBondContact O-CB 3.35Å; L55-T76 PolarHBondContact O-N 2.86Å; L55-T76 PolarHBondContact O-OG1 3.15Å; T76-M105 HydrophobicContact CG2-CE 3.97Å; T76-M105 HydrophobicContact CG2-SD 3.8Å; T76-F109 HydrophobicContact CG2-CE2 3.74Å; T76-F109 HydrophobicContact CG2-CZ 3.75Å; T76-F109 WeakPolarHBondContact O-CE2 3.38Å; T76-F109 WeakPolarHBondContact O-CZ 3.18Å
77C97.1Very high92.5Very high0 Ų036.6 Ų36.60%020%0.202CC..EExtended strand (participates in β ladder)trans-149.3129.1-178.4-172.80000109.8V45 N75 M105 E108 F109V45-C77 HydrophobicContact CB-CB 4.12Å; V45-C77 HydrophobicContact CG2-CB 4.38Å; V45-C77 PolarHBondContact N-O 3.1Å; V45-C77 PolarHBondContact O-N 3.23Å; N75-C77 PolarHBondContact O-N 3.15Å; C77-M105 HydrophobicContact CB-CG 4.13Å; C77-M105 HydrophobicContact CB-SD 3.48Å; C77-M105 WeakPolarHBondContact CB-SD 3.28Å; C77-E108 PolarHBondContact SG-OE2 3.14Å; C77-F109 HydrophobicContact CB-CE2 4.22Å
78C97Very high93.2Very high18 Ų1839.2 Ų39.212%0.12221%0.214CC..EExtended strand (participates in β ladder)trans-128126.4178.7-48.30000108.7F43 N75 W189F43-C78 VanDerWaalsContact O-CA 3.31Å; F43-C78 WeakPolarHBondContact O-CA 3.21Å; N75-C78 PolarHBondContact ND2-SG 3.11Å; N75-C78 PolarHBondContact OD1-SG 3.48Å; C78-W189 HydrophobicContact CB-CZ2 4.27Å; C78-W189 PolarHBondContact SG-NE1 3.37Å
79S96.7Very high94.6Very high21 Ų2141.6 Ų41.615%0.14723%0.227CC..EExtended strand (participates in β ladder)trans-167.9-158179-162.90000110.5A42 F43 K104A42-S79 CarbonylContact C-O 3.15Å; A42-S79 WeakPolarHBondContact CA-O 3.31Å; F43-S79 WeakPolarHBondContact CD1-O 3.17Å; F43-S79 PolarHBondContact N-O 2.94Å; F43-S79 PolarHBondContact O-N 2.75Å; F43-S79 VanDerWaalsContact O-N 3.11Å; S79-K104 WeakPolarHBondContact OG-CD 3.46Å; S79-K104 VanDerWaalsContact OG-CE 3.31Å; S79-K104 WeakPolarHBondContact OG-CE 3.49Å
80H98.1Very high95.8Very high27 Ų2739.3 Ų39.313%0.12522%0.216CC..  trans-129.9142.1-168-47102.1000110.9L9 H28 H40 R103 E139L9-H80 HydrophobicContact CD1-CB 4.18Å; L9-H80 HydrophobicContact CD2-CB 3.64Å; L9-H80 HydrophobicContact CG-CB 4.42Å; H28-H80 AromaticContact CE1-CE1 3.49Å; H28-H80 PolarHBondContact CE1-CE1 2.9Å; H28-H80 VanDerWaalsContact CE1-CE1 3.49Å; H28-H80 AromaticContact CE1-NE2 3.74Å; H28-H80 AromaticContact NE2-CE1 3.47Å; H28-H80 PolarHBondContact NE2-CE1 2.61Å; H28-H80 AromaticContact NE2-NE2 3.55Å; H40-H80 AromaticContact CD2-CD2 3.53Å; H40-H80 AromaticContact CD2-NE2 3.85Å; H40-H80 AromaticContact NE2-CD2 3.57Å; H40-H80 AromaticContact NE2-NE2 3.37Å; H40-H80 PolarHBondContact NE2-NE2 3.28Å; H80-R103 PolarHBondContact O-NH2 2.83Å; H80-E139 IonicContact CD2-OE1 2.81Å; H80-E139 IonicContact CE1-OE1 3.28Å; H80-E139 IonicContact NE2-OE1 3.37Å; H80-E139 PolarHBondContact NE2-OE1 3.33Å
81P98.4Very high96.5Very high1 Ų143.9 Ų43.91%0.00623%0.231CC..  trans-66.7138.6157.933.4-34.2000109.9I10 R41 E87 I97 A100I10-P81 HydrophobicContact CD1-CB 3.8Å; I10-P81 HydrophobicContact CD1-CG 3.82Å; I10-P81 HydrophobicContact CG1-CG 4.32Å; R41-P81 HydrophobicContact CB-CG 3.98Å; R41-P81 HydrophobicContact CG-CG 3.94Å; R41-P81 WeakPolarHBondContact O-CD 3.42Å; P81-E87 VanDerWaalsContact CA-OE2 3.29Å; P81-E87 WeakPolarHBondContact CA-OE2 3.37Å; P81-E87 HydrophobicContact CB-CB 4.28Å; P81-I97 HydrophobicContact CB-CD1 3.84Å; P81-I97 HydrophobicContact CG-CD1 3.48Å; P81-I97 VanDerWaalsContact CG-CD1 3.48Å; P81-A100 HydrophobicContact CB-CB 3.97Å
82L98.2Very high96.8Very high44 Ų4445.4 Ų45.423%0.2324%0.244CC..BIsolated β-bridgetrans-79.9149.6175.9-62176000110.5I7 L9 N84 E87I7-L82 HydrophobicContact CG2-CD2 3.49Å; I7-L82 VanDerWaalsContact CG2-CD2 3.49Å; L9-L82 HydrophobicContact CD2-CD2 4.4Å; L82-N84 WeakPolarHBondContact CB-ND2 3.34Å; L82-N84 PolarHBondContact O-N 3.41Å; L82-E87 PolarHBondContact N-OE2 2.74Å
83Y97.9Very high96.9Very high89 Ų8948.4 Ų48.435%0.34926%0.263SS..SBendtrans-76.174.8171.5-164-94.8000110.5T8 I10 V18 G20 S21 M88T8-Y83 PolarHBondContact O-N 2.91Å; I10-Y83 HydrophobicContact CB-CD2 4.49Å; I10-Y83 HydrophobicContact CG1-CD2 4.18Å; V18-Y83 HydrophobicContact CG1-CE2 4.19Å; G20-Y83 VanDerWaalsContact C-CE2 3.43Å; G20-Y83 WeakPolarHBondContact O-CD2 3.46Å; G20-Y83 WeakPolarHBondContact O-CE2 3.34Å; S21-Y83 VanDerWaalsContact CB-CG 3.47Å; Y83-M88 HydrophobicContact CD1-SD 4.08Å; Y83-M88 HydrophobicContact CD2-CE 3.99Å; Y83-M88 HydrophobicContact CD2-CG 4.49Å; Y83-M88 HydrophobicContact CD2-SD 3.54Å; Y83-M88 VanDerWaalsContact CD2-SD 3.54Å; Y83-M88 HydrophobicContact CE1-SD 4.1Å; Y83-M88 HydrophobicContact CE2-CE 3.45Å; Y83-M88 VanDerWaalsContact CE2-CE 3.45Å; Y83-M88 HydrophobicContact CE2-SD 3.56Å; Y83-M88 VanDerWaalsContact CE2-SD 3.56Å; Y83-M88 HydrophobicContact CG-SD 3.82Å
84N97.5Very high96.8Very high56 Ų5648.8 Ų48.830%0.29927%0.265SS..SBendtrans-142.4166.517771.637.2000111L82 E86 E87 M88L82-N84 WeakPolarHBondContact CB-ND2 3.34Å; L82-N84 PolarHBondContact O-N 3.41Å; N84-E86 VanDerWaalsContact C-N 3.26Å; N84-E86 PolarHBondContact O-N 2.7Å; N84-E86 PolarHBondContact OD1-N 2.95Å; N84-E87 PolarHBondContact O-N 3.06Å; N84-E87 WeakPolarHBondContact OD1-CB 3.37Å; N84-E87 PolarHBondContact OD1-N 3.05Å; N84-M88 WeakPolarHBondContact O-CB 3.42Å; N84-M88 WeakPolarHBondContact O-CG 3.27Å; N84-M88 PolarHBondContact O-N 3.04Å
85A97.3Very high96.9Very high92 Ų9249.6 Ų49.676%0.7627%0.27SS*.THydrogen-bonded Turntrans-60.2-32.1-175.100000114
86E97.6Very high97Very high134 Ų13449.7 Ų49.763%0.62627%0.27SS*.THydrogen-bonded Turntrans-79.4-38.2-176.3-64.8-171.217200113N84 D89 R99N84-E86 VanDerWaalsContact C-N 3.26Å; N84-E86 PolarHBondContact O-N 2.7Å; N84-E86 PolarHBondContact OD1-N 2.95Å; E86-D89 WeakPolarHBondContact O-CB 3.09Å; E86-R99 WeakPolarHBondContact O-CD 3.34Å; E86-R99 PolarHBondContact O-NH1 2.85Å
87E98.4Very high97Very high12 Ų1250 Ų506%0.05627%0.272CS..THydrogen-bonded Turntrans-94.5-13-176-65.5-174.9-156.900113P81 L82 N84 G96 R99 A100 R103P81-E87 VanDerWaalsContact CA-OE2 3.29Å; P81-E87 WeakPolarHBondContact CA-OE2 3.37Å; P81-E87 HydrophobicContact CB-CB 4.28Å; L82-E87 PolarHBondContact N-OE2 2.74Å; N84-E87 PolarHBondContact O-N 3.06Å; N84-E87 WeakPolarHBondContact OD1-CB 3.37Å; N84-E87 PolarHBondContact OD1-N 3.05Å; E87-G96 CarbonylContact O-C 3.57Å; E87-G96 VanDerWaalsContact O-CA 3.31Å; E87-G96 WeakPolarHBondContact O-CA 3.48Å; E87-R99 HydrophobicContact CG-CB 4.44Å; E87-A100 HydrophobicContact CG-CB 4.25Å; E87-A100 WeakPolarHBondContact OE2-CB 3.41Å; E87-R103 VanDerWaalsContact CD-NH2 3.32Å; E87-R103 IonicContact OE1-CZ 2.79Å; E87-R103 VanDerWaalsContact OE1-CZ 3.28Å; E87-R103 IonicContact OE1-NE 3.57Å; E87-R103 PolarHBondContact OE1-NE 2.77Å; E87-R103 IonicContact OE1-NH2 3.78Å; E87-R103 PolarHBondContact OE1-NH2 3.29Å; E87-R103 IonicContact OE2-CZ 2.75Å; E87-R103 IonicContact OE2-NE 2.9Å; E87-R103 IonicContact OE2-NH2 2.94Å; E87-R103 PolarHBondContact OE2-NH2 3.45Å
88M98Very high97.1Very high64 Ų6451.9 Ų51.932%0.31528%0.28SS..SBendtrans-86.7-11.2165.8-67179.967.900113.5I10 V18 Y83 N84I10-M88 HydrophobicContact CD1-CG 3.68Å; I10-M88 HydrophobicContact CG1-CG 4.06Å; V18-M88 HydrophobicContact CG1-CE 4.16Å; Y83-M88 HydrophobicContact CD1-SD 4.08Å; Y83-M88 HydrophobicContact CD2-CE 3.99Å; Y83-M88 HydrophobicContact CD2-CG 4.49Å; Y83-M88 HydrophobicContact CD2-SD 3.54Å; Y83-M88 VanDerWaalsContact CD2-SD 3.54Å; Y83-M88 HydrophobicContact CE1-SD 4.1Å; Y83-M88 HydrophobicContact CE2-CE 3.45Å; Y83-M88 VanDerWaalsContact CE2-CE 3.45Å; Y83-M88 HydrophobicContact CE2-SD 3.56Å; Y83-M88 VanDerWaalsContact CE2-SD 3.56Å; Y83-M88 HydrophobicContact CG-SD 3.82Å; N84-M88 WeakPolarHBondContact O-CB 3.42Å; N84-M88 WeakPolarHBondContact O-CG 3.27Å; N84-M88 PolarHBondContact O-N 3.04Å
89D97.4Very high97.2Very high50 Ų5054.2 Ų54.227%0.26729%0.286SS..  trans-63.7137.6177.8-173.213000111E86 E91 I95 G96 R99E86-D89 WeakPolarHBondContact O-CB 3.09Å; D89-E91 PolarHBondContact OD1-N 3.23Å; D89-I95 HydrophobicContact CB-CG2 3.88Å; D89-I95 WeakPolarHBondContact O-CG2 3.18Å; D89-I95 WeakPolarHBondContact OD2-CG2 3.33Å; D89-G96 VanDerWaalsContact O-CA 3.24Å; D89-G96 WeakPolarHBondContact O-CA 3.33Å; D89-G96 PolarHBondContact O-N 3.4Å; D89-R99 VanDerWaalsContact CB-NH1 3.32Å; D89-R99 IonicContact OD2-CZ 2.74Å; D89-R99 IonicContact OD2-NH1 2.61Å; D89-R99 PolarHBondContact OD2-NH1 3.17Å; D89-R99 IonicContact OD2-NH2 3.55Å; D89-R99 PolarHBondContact OD2-NH2 3.17Å
90D94.5Very high97.3Very high83 Ų8353.2 Ų53.244%0.44428%0.279SS..  trans-128.215.5178.9-154.942.3000111.9P92 P93 F94D90-P92 VanDerWaalsContact C-C 3.46Å; D90-P92 CarbonylContact C-O 3.59Å; D90-P92 CarbonylContact O-C 3.58Å; D90-P92 VanDerWaalsContact O-O 3.09Å; D90-P93 WeakPolarHBondContact O-CA 3.34Å; D90-P93 VanDerWaalsContact O-N 3.09Å; D90-F94 VanDerWaalsContact OD1-CA 3.28Å; D90-F94 WeakPolarHBondContact OD1-CA 3.46Å; D90-F94 PolarHBondContact OD1-N 2.84Å
91E95.5Very high97.3Very high153 Ų15352 Ų5272%0.71527%0.273SS*.SBendtrans-122104.1176.9-72.6-68177.400111.2D89D89-E91 PolarHBondContact OD1-N 3.23Å
92P95Very high97.3Very high79 Ų7954 Ų5451%0.51328%0.283SS..SBendcis-73164.95.732.3-37.1000112.9D90 F94 I95D90-P92 VanDerWaalsContact C-C 3.46Å; D90-P92 CarbonylContact C-O 3.59Å; D90-P92 CarbonylContact O-C 3.58Å; D90-P92 VanDerWaalsContact O-O 3.09Å; P92-F94 PolarHBondContact O-N 3.22Å; P92-I95 HydrophobicContact CG-CB 4.17Å; P92-I95 HydrophobicContact CG-CD1 4.38Å; P92-I95 HydrophobicContact CG-CG1 4.45Å; P92-I95 WeakPolarHBondContact O-CB 3.1Å; P92-I95 VanDerWaalsContact O-CG2 3.28Å; P92-I95 WeakPolarHBondContact O-CG2 3.04Å; P92-I95 PolarHBondContact O-N 3.44Å
93P93.2Very high97.3Very high71 Ų7154.6 Ų54.646%0.46128%0.282SS..THydrogen-bonded Turntrans-46.9130.2-177.2-32.635.7000113.9D90 I95D90-P93 WeakPolarHBondContact O-CA 3.34Å; D90-P93 VanDerWaalsContact O-N 3.09Å; P93-I95 VanDerWaalsContact C-N 3.26Å; P93-I95 PolarHBondContact O-N 2.84Å
94F95.4Very high97.2Very high31 Ų3151 Ų5114%0.13627%0.268CS..THydrogen-bonded Turntrans65.619.4178.5-38.2-61.6000114.5D90 P92 G96 I97 K98 C121 Y142 M214D90-F94 VanDerWaalsContact OD1-CA 3.28Å; D90-F94 WeakPolarHBondContact OD1-CA 3.46Å; D90-F94 PolarHBondContact OD1-N 2.84Å; P92-F94 PolarHBondContact O-N 3.22Å; F94-G96 VanDerWaalsContact C-N 3.35Å; F94-G96 PolarHBondContact O-N 2.99Å; F94-I97 HydrophobicContact CB-CG2 3.84Å; F94-I97 VanDerWaalsContact O-CG2 3.29Å; F94-I97 WeakPolarHBondContact O-CG2 3.49Å; F94-K98 VanDerWaalsContact O-CG 3.23Å; F94-K98 WeakPolarHBondContact O-CG 3.29Å; F94-K98 PolarHBondContact O-N 2.77Å; F94-C121 HydrophobicContact CD2-CB 4.3Å; F94-C121 HydrophobicContact CG-CB 4.4Å; F94-Y142 AromaticContact CD1-CE1 3.7Å; F94-Y142 HydrophobicContact CD1-CE1 3.7Å; F94-Y142 HydrophobicContact CE1-CE1 4.1Å; F94-M214 HydrophobicContact CD1-CE 4.07Å; F94-M214 HydrophobicContact CD2-CE 4.47Å; F94-M214 HydrophobicContact CE1-CE 3.72Å; F94-M214 HydrophobicContact CE2-CB 4.17Å; F94-M214 HydrophobicContact CE2-CE 4.16Å; F94-M214 HydrophobicContact CE2-CG 3.91Å; F94-M214 HydrophobicContact CG-CE 4.42Å; F94-M214 HydrophobicContact CZ-CB 3.75Å; F94-M214 HydrophobicContact CZ-CE 3.77Å; F94-M214 HydrophobicContact CZ-CG 3.94Å
95I97.9Very high97.2Very high17 Ų1748.4 Ų48.49%0.08725%0.254CS..Hα-helixtrans-64.2-39.5-178.5-168.262.5000112.3D89 P92 P93 K98 R99 L116D89-I95 HydrophobicContact CB-CG2 3.88Å; D89-I95 WeakPolarHBondContact O-CG2 3.18Å; D89-I95 WeakPolarHBondContact OD2-CG2 3.33Å; P92-I95 HydrophobicContact CG-CB 4.17Å; P92-I95 HydrophobicContact CG-CD1 4.38Å; P92-I95 HydrophobicContact CG-CG1 4.45Å; P92-I95 WeakPolarHBondContact O-CB 3.1Å; P92-I95 VanDerWaalsContact O-CG2 3.28Å; P92-I95 WeakPolarHBondContact O-CG2 3.04Å; P92-I95 PolarHBondContact O-N 3.44Å; P93-I95 VanDerWaalsContact C-N 3.26Å; P93-I95 PolarHBondContact O-N 2.84Å; I95-K98 PolarHBondContact O-N 2.95Å; I95-R99 WeakPolarHBondContact O-CG 3.43Å; I95-R99 PolarHBondContact O-N 3.16Å; I95-L116 HydrophobicContact CD1-CD1 3.93Å
96G98.4Very high97.1Very high1 Ų145 Ų451%0.0123%0.225CC..Hα-helixtrans-63.5-46.9-178.400000112.9E87 D89 F94 K98 R99 A100E87-G96 CarbonylContact O-C 3.57Å; E87-G96 VanDerWaalsContact O-CA 3.31Å; E87-G96 WeakPolarHBondContact O-CA 3.48Å; D89-G96 VanDerWaalsContact O-CA 3.24Å; D89-G96 WeakPolarHBondContact O-CA 3.33Å; D89-G96 PolarHBondContact O-N 3.4Å; F94-G96 VanDerWaalsContact C-N 3.35Å; F94-G96 PolarHBondContact O-N 2.99Å; G96-K98 VanDerWaalsContact C-N 3.3Å; G96-K98 PolarHBondContact O-N 3.38Å; G96-R99 WeakPolarHBondContact O-CB 3.03Å; G96-R99 PolarHBondContact O-N 2.88Å; G96-A100 PolarHBondContact O-N 3.27Å
97I98.4Very high97Very high8 Ų843 Ų434%0.04122%0.215CC..Hα-helixtrans-64.9-34.2176.6-161.174.2000111.9R41 F43 P81 F94 A100 A101 Y142 I144R41-I97 HydrophobicContact CG-CD1 4.25Å; F43-I97 HydrophobicContact CB-CD1 3.92Å; F43-I97 HydrophobicContact CB-CG1 3.88Å; F43-I97 HydrophobicContact CD1-CD1 3.76Å; F43-I97 HydrophobicContact CD1-CG1 4.24Å; F43-I97 HydrophobicContact CG-CD1 4.29Å; F43-I97 HydrophobicContact CG-CG1 4.42Å; P81-I97 HydrophobicContact CB-CD1 3.84Å; P81-I97 HydrophobicContact CG-CD1 3.48Å; P81-I97 VanDerWaalsContact CG-CD1 3.48Å; F94-I97 HydrophobicContact CB-CG2 3.84Å; F94-I97 VanDerWaalsContact O-CG2 3.29Å; F94-I97 WeakPolarHBondContact O-CG2 3.49Å; I97-A100 WeakPolarHBondContact O-CB 3.16Å; I97-A100 PolarHBondContact O-N 2.89Å; I97-A101 WeakPolarHBondContact O-CB 3.5Å; I97-A101 PolarHBondContact O-N 3.42Å; I97-Y142 HydrophobicContact CD1-CD2 4.4Å; I97-Y142 HydrophobicContact CD1-CG 4.44Å; I97-Y142 HydrophobicContact CG1-CD1 4.3Å; I97-Y142 HydrophobicContact CG1-CD2 4.35Å; I97-Y142 HydrophobicContact CG1-CG 3.93Å; I97-Y142 HydrophobicContact CG2-CD1 3.98Å; I97-Y142 HydrophobicContact CG2-CE1 4.34Å; I97-Y142 HydrophobicContact CG2-CG 4.44Å; I97-I144 HydrophobicContact CG1-CD1 4.11Å; I97-I144 HydrophobicContact CG2-CD1 4.41Å
98K98.3Very high96.9Very high39 Ų3942.4 Ų42.417%0.1721%0.213CC..Hα-helixtrans-68.3-38.2174.3-68.7176.3-169.8-158.70112.5F94 I95 G96 A101 Q102 L116 F119F94-K98 VanDerWaalsContact O-CG 3.23Å; F94-K98 WeakPolarHBondContact O-CG 3.29Å; F94-K98 PolarHBondContact O-N 2.77Å; I95-K98 PolarHBondContact O-N 2.95Å; G96-K98 VanDerWaalsContact C-N 3.3Å; G96-K98 PolarHBondContact O-N 3.38Å; K98-A101 PolarHBondContact O-N 3.37Å; K98-Q102 WeakPolarHBondContact O-CB 3.22Å; K98-Q102 PolarHBondContact O-N 3.12Å; K98-L116 HydrophobicContact CB-CD2 4.19Å; K98-F119 HydrophobicContact CB-CB 4.25Å; K98-F119 HydrophobicContact CD-CB 4.18Å; K98-F119 WeakPolarHBondContact CD-O 3.2Å; K98-F119 WeakPolarHBondContact CE-O 3.31Å; K98-F119 HydrophobicContact CG-CB 3.86Å; K98-F119 PolarHBondContact NZ-O 3.39Å
99R98.6Very high96.7Very high67 Ų6739.4 Ų39.425%0.25320%0.198SC..Hα-helixtrans-62.6-43.8173.1-72.9171.6-178.91443.3110.8E86 E87 D89 I95 G96 A101 Q102 R103 L116E86-R99 WeakPolarHBondContact O-CD 3.34Å; E86-R99 PolarHBondContact O-NH1 2.85Å; E87-R99 HydrophobicContact CG-CB 4.44Å; D89-R99 VanDerWaalsContact CB-NH1 3.32Å; D89-R99 IonicContact OD2-CZ 2.74Å; D89-R99 IonicContact OD2-NH1 2.61Å; D89-R99 PolarHBondContact OD2-NH1 3.17Å; D89-R99 IonicContact OD2-NH2 3.55Å; D89-R99 PolarHBondContact OD2-NH2 3.17Å; I95-R99 WeakPolarHBondContact O-CG 3.43Å; I95-R99 PolarHBondContact O-N 3.16Å; G96-R99 WeakPolarHBondContact O-CB 3.03Å; G96-R99 PolarHBondContact O-N 2.88Å; R99-A101 PolarHBondContact O-N 3.2Å; R99-Q102 PolarHBondContact O-N 2.96Å; R99-R103 WeakPolarHBondContact O-CB 3.45Å; R99-R103 PolarHBondContact O-N 3.49Å; R99-L116 HydrophobicContact CG-CD1 4.14Å; R99-L116 HydrophobicContact CG-CD2 4.11Å
100A98.6Very high96.6Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-59.6-46.617500000112F43 P81 E87 G96 I97 R103 K104F43-A100 HydrophobicContact CD1-CB 4.1Å; F43-A100 HydrophobicContact CE1-CB 3.53Å; F43-A100 HydrophobicContact CZ-CB 4.35Å; P81-A100 HydrophobicContact CB-CB 3.97Å; E87-A100 HydrophobicContact CG-CB 4.25Å; E87-A100 WeakPolarHBondContact OE2-CB 3.41Å; G96-A100 PolarHBondContact O-N 3.27Å; I97-A100 WeakPolarHBondContact O-CB 3.16Å; I97-A100 PolarHBondContact O-N 2.89Å; A100-R103 PolarHBondContact O-N 2.76Å; A100-K104 PolarHBondContact O-N 3.27Å
101A98.5Very high96.5Very high0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-60.5-46.1175.500000112.5F43 V45 I97 K98 R99 R103 K104 M105 F119 I144F43-A101 HydrophobicContact CD2-CB 4.02Å; F43-A101 HydrophobicContact CE2-CB 3.94Å; F43-A101 HydrophobicContact CG-CB 4.44Å; F43-A101 HydrophobicContact CZ-CB 4.28Å; V45-A101 HydrophobicContact CG2-CB 3.79Å; I97-A101 WeakPolarHBondContact O-CB 3.5Å; I97-A101 PolarHBondContact O-N 3.42Å; K98-A101 PolarHBondContact O-N 3.37Å; R99-A101 PolarHBondContact O-N 3.2Å; A101-R103 PolarHBondContact O-N 2.99Å; A101-K104 PolarHBondContact O-N 3.38Å; A101-M105 VanDerWaalsContact O-CB 3.3Å; A101-M105 WeakPolarHBondContact O-CB 3.37Å; A101-M105 VanDerWaalsContact O-CG 3.24Å; A101-M105 WeakPolarHBondContact O-CG 3.39Å; A101-M105 PolarHBondContact O-N 3.23Å; A101-F119 HydrophobicContact CB-CD1 3.94Å; A101-F119 HydrophobicContact CB-CE1 3.96Å; A101-I144 HydrophobicContact CB-CD1 3.96Å
102Q98Very high96.4Very high43 Ų4335.4 Ų35.420%0.20119%0.192CC..Hα-helixtrans-60.7-45.3176.7-176.5-166.960.200111.8K98 R99 S106 P113 L114 L116 F119K98-Q102 WeakPolarHBondContact O-CB 3.22Å; K98-Q102 PolarHBondContact O-N 3.12Å; R99-Q102 PolarHBondContact O-N 2.96Å; Q102-S106 WeakPolarHBondContact O-CB 3.19Å; Q102-S106 PolarHBondContact O-N 3.49Å; Q102-S106 PolarHBondContact O-OG 3.3Å; Q102-P113 HydrophobicContact CG-CB 3.73Å; Q102-L114 PolarHBondContact NE2-O 3.49Å; Q102-L116 HydrophobicContact CB-CD2 3.93Å; Q102-L116 HydrophobicContact CG-CD2 4.34Å; Q102-F119 HydrophobicContact CB-CE2 4Å; Q102-F119 HydrophobicContact CB-CZ 4.02Å; Q102-F119 HydrophobicContact CG-CE2 4.3Å; Q102-F119 HydrophobicContact CG-CZ 4.49Å
103R98.1Very high96.5Very high58 Ų5835.7 Ų35.722%0.21919%0.194CC..Hα-helixtrans-58.4-52176.9172.5176.954.870.43.6110.8H80 E87 R99 A100 A101 S106 Q107H80-R103 PolarHBondContact O-NH2 2.83Å; E87-R103 VanDerWaalsContact CD-NH2 3.32Å; E87-R103 IonicContact OE1-CZ 2.79Å; E87-R103 VanDerWaalsContact OE1-CZ 3.28Å; E87-R103 IonicContact OE1-NE 3.57Å; E87-R103 PolarHBondContact OE1-NE 2.77Å; E87-R103 IonicContact OE1-NH2 3.78Å; E87-R103 PolarHBondContact OE1-NH2 3.29Å; E87-R103 IonicContact OE2-CZ 2.75Å; E87-R103 IonicContact OE2-NE 2.9Å; E87-R103 IonicContact OE2-NH2 2.94Å; E87-R103 PolarHBondContact OE2-NH2 3.45Å; R99-R103 WeakPolarHBondContact O-CB 3.45Å; R99-R103 PolarHBondContact O-N 3.49Å; A100-R103 PolarHBondContact O-N 2.76Å; A101-R103 PolarHBondContact O-N 2.99Å; R103-S106 PolarHBondContact O-N 3.05Å; R103-Q107 VanDerWaalsContact O-CG 3.32Å; R103-Q107 WeakPolarHBondContact O-CG 3.35Å; R103-Q107 PolarHBondContact O-N 2.85Å
104K97.5Very high96.6Very high13 Ų1333.4 Ų33.46%0.05718%0.178CC..Hα-helixtrans-68.9-40.4-176.6-76.5-68.3-52.3170.70112.7F43 S79 A100 A101 S106 Q107 E108 E158F43-K104 HydrophobicContact CE2-CB 4.36Å; F43-K104 HydrophobicContact CZ-CB 3.85Å; F43-K104 HydrophobicContact CZ-CG 3.9Å; S79-K104 WeakPolarHBondContact OG-CD 3.46Å; S79-K104 VanDerWaalsContact OG-CE 3.31Å; S79-K104 WeakPolarHBondContact OG-CE 3.49Å; A100-K104 PolarHBondContact O-N 3.27Å; A101-K104 PolarHBondContact O-N 3.38Å; K104-S106 VanDerWaalsContact C-N 3.29Å; K104-S106 PolarHBondContact O-N 3.38Å; K104-Q107 PolarHBondContact O-N 2.82Å; K104-E108 WeakPolarHBondContact CE-OE1 3.31Å; K104-E108 IonicContact NZ-OE1 3.38Å; K104-E108 PolarHBondContact NZ-OE1 3.02Å; K104-E108 WeakPolarHBondContact O-CB 3.5Å; K104-E108 WeakPolarHBondContact O-CG 3.35Å; K104-E108 PolarHBondContact O-N 2.85Å; K104-E158 IonicContact NZ-OE1 3.17Å; K104-E158 PolarHBondContact NZ-OE1 2.86Å
105M96.5Very high96.6Very high1 Ų135.5 Ų35.51%0.00520%0.195CC..Hα-helixtrans-56.2-44.8171.1-77.4-72.7-62.700111.7V45 T76 C77 A101 Q107 F109 I111 F119 L150V45-M105 HydrophobicContact CB-SD 4.41Å; V45-M105 HydrophobicContact CG1-CG 4.48Å; V45-M105 HydrophobicContact CG1-SD 4.04Å; V45-M105 HydrophobicContact CG2-CG 4.48Å; T76-M105 HydrophobicContact CG2-CE 3.97Å; T76-M105 HydrophobicContact CG2-SD 3.8Å; C77-M105 HydrophobicContact CB-CG 4.13Å; C77-M105 HydrophobicContact CB-SD 3.48Å; C77-M105 WeakPolarHBondContact CB-SD 3.28Å; A101-M105 VanDerWaalsContact O-CB 3.3Å; A101-M105 WeakPolarHBondContact O-CB 3.37Å; A101-M105 VanDerWaalsContact O-CG 3.24Å; A101-M105 WeakPolarHBondContact O-CG 3.39Å; A101-M105 PolarHBondContact O-N 3.23Å; M105-Q107 PolarHBondContact O-N 2.81Å; M105-F109 HydrophobicContact CE-CD2 3.96Å; M105-F109 HydrophobicContact CE-CE2 4.1Å; M105-F109 WeakPolarHBondContact O-CB 3.47Å; M105-F109 WeakPolarHBondContact O-CD2 3.24Å; M105-F109 PolarHBondContact O-N 2.9Å; M105-F109 VanDerWaalsContact O-N 3.1Å; M105-F109 HydrophobicContact SD-CD2 3.86Å; M105-F109 HydrophobicContact SD-CE2 3.63Å; M105-I111 HydrophobicContact CE-CD1 4.32Å; M105-F119 HydrophobicContact CG-CE1 4.23Å; M105-L150 HydrophobicContact CE-CD2 4.05Å
106S96.2Very high96.5Very high22 Ų2237 Ų3715%0.15420%0.203CC..Hα-helixtrans-63.7-41.6178.6-52.60000111.8Q102 R103 K104 N110 I111 P113Q102-S106 WeakPolarHBondContact O-CB 3.19Å; Q102-S106 PolarHBondContact O-N 3.49Å; Q102-S106 PolarHBondContact O-OG 3.3Å; R103-S106 PolarHBondContact O-N 3.05Å; K104-S106 VanDerWaalsContact C-N 3.29Å; K104-S106 PolarHBondContact O-N 3.38Å; S106-N110 VanDerWaalsContact O-CA 3.29Å; S106-N110 WeakPolarHBondContact O-CA 3.28Å; S106-N110 PolarHBondContact O-N 3.3Å; S106-I111 WeakPolarHBondContact CB-O 3.37Å; S106-I111 PolarHBondContact O-N 2.72Å; S106-P113 WeakPolarHBondContact OG-CA 3.29Å
107Q95.4Very high96.3Very high90 Ų9045.4 Ų45.442%0.42124%0.239SC..Hα-helixtrans-71.9-40.5179.9-71.2172.6-10.100113.7R103 K104 M105 N155R103-Q107 VanDerWaalsContact O-CG 3.32Å; R103-Q107 WeakPolarHBondContact O-CG 3.35Å; R103-Q107 PolarHBondContact O-N 2.85Å; K104-Q107 PolarHBondContact O-N 2.82Å; M105-Q107 PolarHBondContact O-N 2.81Å; Q107-N155 WeakPolarHBondContact O-CB 3.26Å; Q107-N155 PolarHBondContact O-ND2 2.97Å
108E95.5Very high96.1Very high1 Ų146.2 Ų46.21%0.00525%0.245CC..Hα-helixtrans-81-27.1-175.3-67-165.9173.100112.6K63 C77 K104 P154 N155 E158 V159K63-E108 IonicContact NZ-OE1 3.37Å; K63-E108 PolarHBondContact NZ-OE1 2.88Å; C77-E108 PolarHBondContact SG-OE2 3.14Å; K104-E108 WeakPolarHBondContact CE-OE1 3.31Å; K104-E108 IonicContact NZ-OE1 3.38Å; K104-E108 PolarHBondContact NZ-OE1 3.02Å; K104-E108 WeakPolarHBondContact O-CB 3.5Å; K104-E108 WeakPolarHBondContact O-CG 3.35Å; K104-E108 PolarHBondContact O-N 2.85Å; E108-P154 WeakPolarHBondContact O-CA 3.08Å; E108-N155 PolarHBondContact O-N 3.39Å; E108-E158 HydrophobicContact CB-CB 4.37Å; E108-E158 HydrophobicContact CG-CB 3.89Å; E108-E158 HydrophobicContact CG-CG 4.14Å; E108-V159 HydrophobicContact CB-CG2 4.02Å
109F94.7Very high96Very high0 Ų044.4 Ų44.40%024%0.237CC..Hα-helixtrans-113.85.2-178.5-61.3-72.1000114.8L55 T76 C77 M105 I111 P152 L153 V159 T162L55-F109 HydrophobicContact CD2-CE1 4.14Å; L55-F109 HydrophobicContact CD2-CZ 4.31Å; T76-F109 HydrophobicContact CG2-CE2 3.74Å; T76-F109 HydrophobicContact CG2-CZ 3.75Å; T76-F109 WeakPolarHBondContact O-CE2 3.38Å; T76-F109 WeakPolarHBondContact O-CZ 3.18Å; C77-F109 HydrophobicContact CB-CE2 4.22Å; M105-F109 HydrophobicContact CE-CD2 3.96Å; M105-F109 HydrophobicContact CE-CE2 4.1Å; M105-F109 WeakPolarHBondContact O-CB 3.47Å; M105-F109 WeakPolarHBondContact O-CD2 3.24Å; M105-F109 PolarHBondContact O-N 2.9Å; M105-F109 VanDerWaalsContact O-N 3.1Å; M105-F109 HydrophobicContact SD-CD2 3.86Å; M105-F109 HydrophobicContact SD-CE2 3.63Å; F109-I111 HydrophobicContact CB-CD1 4.42Å; F109-I111 HydrophobicContact CB-CG1 4.26Å; F109-I111 HydrophobicContact CB-CG2 4.02Å; F109-I111 WeakPolarHBondContact O-CG2 3.45Å; F109-I111 PolarHBondContact O-N 3.32Å; F109-P152 HydrophobicContact CD1-CB 4.02Å; F109-L153 CarbonylContact C-O 3.08Å; F109-L153 CarbonylContact O-C 3.55Å; F109-L153 WeakPolarHBondContact O-CB 3.28Å; F109-L153 PolarHBondContact O-N 3.47Å; F109-V159 HydrophobicContact CE1-CG2 4.4Å; F109-T162 HydrophobicContact CD1-CG2 4.24Å; F109-T162 HydrophobicContact CE1-CG2 3.66Å
110N94.5Very high95.7Very high90 Ų9045 Ų4548%0.48124%0.243SC..THydrogen-bonded Turntrans48.741.7-176.2-62.2-60.7000113.3S106 L153 N155S106-N110 VanDerWaalsContact O-CA 3.29Å; S106-N110 WeakPolarHBondContact O-CA 3.28Å; S106-N110 PolarHBondContact O-N 3.3Å; N110-L153 HydrophobicContact CB-CB 4.37Å; N110-L153 HydrophobicContact CB-CD2 3.85Å; N110-L153 WeakPolarHBondContact CB-O 3.35Å; N110-L153 PolarHBondContact ND2-O 2.99Å; N110-N155 WeakPolarHBondContact ND2-CA 3.44Å; N110-N155 PolarHBondContact ND2-N 2.92Å
111I92.8Very high95.6Very high32 Ų3245.4 Ų45.416%0.16425%0.246CC..  trans-106.4157.7-179.262.1175000111.6M105 S106 F109 L114 L150M105-I111 HydrophobicContact CE-CD1 4.32Å; S106-I111 WeakPolarHBondContact CB-O 3.37Å; S106-I111 PolarHBondContact O-N 2.72Å; F109-I111 HydrophobicContact CB-CD1 4.42Å; F109-I111 HydrophobicContact CB-CG1 4.26Å; F109-I111 HydrophobicContact CB-CG2 4.02Å; F109-I111 WeakPolarHBondContact O-CG2 3.45Å; F109-I111 PolarHBondContact O-N 3.32Å; I111-L114 HydrophobicContact CD1-CG 4.29Å; I111-L150 HydrophobicContact CD1-CD2 3.99Å; I111-L150 HydrophobicContact CG2-CD1 4.35Å
112A93.9Very high95.3Very high80 Ų8045.4 Ų45.466%0.66125%0.246SC*.PPolyproline II helixtrans-62.7145.9164.700000110.2L114A112-L114 PolarHBondContact O-N 3.1Å
113P95.4Very high95.1Very high85 Ų8543.5 Ų43.555%0.55224%0.237SC*.PPolyproline II helixtrans-55.2121.6178.4-27.135.1000112.4Q102 S106Q102-P113 HydrophobicContact CG-CB 3.73Å; S106-P113 WeakPolarHBondContact OG-CA 3.29Å
114L95.2Very high95Very high23 Ų2342 Ų4212%0.1223%0.231CC..PPolyproline II helixtrans-65.2149.4171-61.7-179.1000110Q102 I111 A112 L116 F119 L150Q102-L114 PolarHBondContact NE2-O 3.49Å; I111-L114 HydrophobicContact CD1-CG 4.29Å; A112-L114 PolarHBondContact O-N 3.1Å; L114-L116 PolarHBondContact O-N 3.34Å; L114-F119 HydrophobicContact CB-CE2 3.82Å; L114-F119 HydrophobicContact CB-CZ 4.05Å; L114-F119 HydrophobicContact CD1-CZ 4.41Å; L114-L150 HydrophobicContact CD1-CD2 4.32Å
115P96Very high94.9Very high76 Ų7641.5 Ų41.549%0.49423%0.229SC..PPolyproline II helixtrans-57.7131.5-179.9-23.734000112.2K117 S118P115-K117 HydrophobicContact CB-CG 4.04Å; P115-K117 PolarHBondContact O-N 3Å; P115-S118 WeakPolarHBondContact O-CB 3.49Å; P115-S118 PolarHBondContact O-N 3Å; P115-S118 PolarHBondContact O-OG 2.6Å
116L96.6Very high94.9Very high49 Ų4942.2 Ų42.226%0.25723%0.233SC..G310 helixtrans-53.9-29.5-178.6-71.4171.7000113.9I95 K98 R99 Q102 L114 S118 F119I95-L116 HydrophobicContact CD1-CD1 3.93Å; K98-L116 HydrophobicContact CB-CD2 4.19Å; R99-L116 HydrophobicContact CG-CD1 4.14Å; R99-L116 HydrophobicContact CG-CD2 4.11Å; Q102-L116 HydrophobicContact CB-CD2 3.93Å; Q102-L116 HydrophobicContact CG-CD2 4.34Å; L114-L116 PolarHBondContact O-N 3.34Å; L116-S118 PolarHBondContact O-N 2.83Å; L116-F119 PolarHBondContact O-N 2.89Å
117K94.2Very high94.9Very high177 Ų17741.5 Ų41.577%0.7723%0.227SC*.G310 helixtrans-66.7-18.9176.368.9177.7-176177.40114.5P115 F119P115-K117 HydrophobicContact CB-CG 4.04Å; P115-K117 PolarHBondContact O-N 3Å; K117-F119 VanDerWaalsContact C-N 3.28Å
118S93.5Very high94.9Very high24 Ų2442.9 Ų42.917%0.16823%0.231CC..G310 helixtrans-82.9-5.6177730000112.9P115 L116 H120 T146P115-S118 WeakPolarHBondContact O-CB 3.49Å; P115-S118 PolarHBondContact O-N 3Å; P115-S118 PolarHBondContact O-OG 2.6Å; L116-S118 PolarHBondContact O-N 2.83Å; S118-H120 PolarHBondContact O-CD2 3.44Å; S118-H120 VanDerWaalsContact O-CD2 3.27Å; S118-T146 VanDerWaalsContact O-CA 3.31Å; S118-T146 WeakPolarHBondContact O-CA 3.49Å; S118-T146 WeakPolarHBondContact O-CB 3.24Å; S118-T146 PolarHBondContact O-OG1 2.99Å; S118-T146 PolarHBondContact OG-OG1 3.16Å
119F95.5Very high94.9Very high1 Ų143.3 Ų43.30%0.00424%0.236CC..  trans-93.6111.9174.4-65.6-95000108.9K98 A101 Q102 M105 L114 L116 K117 I144 T146K98-F119 HydrophobicContact CB-CB 4.25Å; K98-F119 HydrophobicContact CD-CB 4.18Å; K98-F119 WeakPolarHBondContact CD-O 3.2Å; K98-F119 WeakPolarHBondContact CE-O 3.31Å; K98-F119 HydrophobicContact CG-CB 3.86Å; K98-F119 PolarHBondContact NZ-O 3.39Å; A101-F119 HydrophobicContact CB-CD1 3.94Å; A101-F119 HydrophobicContact CB-CE1 3.96Å; Q102-F119 HydrophobicContact CB-CE2 4Å; Q102-F119 HydrophobicContact CB-CZ 4.02Å; Q102-F119 HydrophobicContact CG-CE2 4.3Å; Q102-F119 HydrophobicContact CG-CZ 4.49Å; M105-F119 HydrophobicContact CG-CE1 4.23Å; L114-F119 HydrophobicContact CB-CE2 3.82Å; L114-F119 HydrophobicContact CB-CZ 4.05Å; L114-F119 HydrophobicContact CD1-CZ 4.41Å; L116-F119 PolarHBondContact O-N 2.89Å; K117-F119 VanDerWaalsContact C-N 3.28Å; F119-I144 HydrophobicContact CB-CG2 3.81Å; F119-I144 HydrophobicContact CD1-CG2 3.88Å; F119-I144 HydrophobicContact CG-CG2 4.35Å; F119-T146 HydrophobicContact CE1-CG2 4.46Å
120H94.2Very high94.8Very high80 Ų8048 Ų4837%0.3726%0.258SS..EExtended strand (participates in β ladder)trans-107.5106.2-178-59.6-83.3000109.2S118 V122 I144 F145 M208S118-H120 PolarHBondContact O-CD2 3.44Å; S118-H120 VanDerWaalsContact O-CD2 3.27Å; H120-V122 PolarHBondContact O-N 2.77Å; H120-I144 CarbonylContact O-C 3.46Å; H120-I144 WeakPolarHBondContact O-CA 2.96Å; H120-F145 PolarHBondContact N-O 3.1Å; H120-F145 PolarHBondContact O-N 3.15Å; H120-M208 HydrophobicContact CB-SD 3.83Å; H120-M208 PolarHBondContact CD2-SD 2.79Å
121C94.6Very high94.7Very high8 Ų847.6 Ų47.65%0.05425%0.25CC..EExtended strand (participates in β ladder)trans-69.5118.9170.1-55.20000108.4F94 I143 M214F94-C121 HydrophobicContact CD2-CB 4.3Å; F94-C121 HydrophobicContact CG-CB 4.4Å; C121-I143 WeakPolarHBondContact CA-O 3.43Å; C121-M214 VanDerWaalsContact C-SD 3.6Å; C121-M214 HydrophobicContact CB-CE 3.77Å; C121-M214 HydrophobicContact CB-SD 3.71Å
122V93.1Very high94.7Very high1 Ų148.7 Ų48.71%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-107.4-33.9-174.1-65.20000112.7H120 I143 F145 L211 D213H120-V122 PolarHBondContact O-N 2.77Å; V122-I143 HydrophobicContact CG2-CB 3.82Å; V122-I143 HydrophobicContact CG2-CG2 3.57Å; V122-I143 WeakPolarHBondContact CG2-O 3.29Å; V122-I143 PolarHBondContact N-O 2.85Å; V122-F145 HydrophobicContact CG1-CB 4.18Å; V122-F145 HydrophobicContact CG1-CD1 4.45Å; V122-F145 HydrophobicContact CG1-CD2 4.3Å; V122-F145 HydrophobicContact CG1-CG 4.05Å; V122-F145 HydrophobicContact CG2-CD1 3.86Å; V122-F145 HydrophobicContact CG2-CE1 4.03Å; V122-F145 HydrophobicContact CG2-CG 4.29Å; V122-L211 HydrophobicContact CG1-CB 4.48Å; V122-D213 PolarHBondContact O-N 3.47Å
123S93.6Very high94.7Very high2 Ų252.8 Ų52.81%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-159173.1-177.8-161.50000111.9I143 D213 H218S123-I143 PolarHBondContact O-N 3.48Å; S123-D213 WeakPolarHBondContact CA-O 3.42Å; S123-H218 PolarHBondContact OG-CD2 3.43Å
124R96Very high94.7Very high27 Ų2754.6 Ų54.610%0.10227%0.268CS..EExtended strand (participates in β ladder)trans-132136.8172.1-63.7177-60.6165.93.1109.8D16 L140 D141 Y142 M214 E215 S216 I217 H218D16-R124 IonicContact OD2-NH1 2.76Å; D16-R124 PolarHBondContact OD2-NH1 3.47Å; R124-L140 HydrophobicContact CB-CD2 4.09Å; R124-L140 HydrophobicContact CG-CD2 4.37Å; R124-D141 CarbonylContact C-O 3.55Å; R124-D141 VanDerWaalsContact CA-O 3.3Å; R124-D141 WeakPolarHBondContact CA-O 3.31Å; R124-Y142 HydrophobicContact CG-CD1 4.08Å; R124-Y142 HydrophobicContact CG-CD2 4.31Å; R124-Y142 HydrophobicContact CG-CE1 4.01Å; R124-Y142 HydrophobicContact CG-CE2 4.22Å; R124-Y142 HydrophobicContact CG-CG 4.24Å; R124-M214 HydrophobicContact CG-CE 3.73Å; R124-M214 PolarHBondContact NE-O 3.31Å; R124-M214 PolarHBondContact NH2-O 3.02Å; R124-E215 PolarHBondContact NH2-O 2.79Å; R124-S216 PolarHBondContact NH2-O 3.2Å; R124-I217 HydrophobicContact CB-CG1 4.36Å; R124-H218 PolarHBondContact O-CD2 3.47Å; R124-H218 PolarHBondContact O-N 3.24Å
125I95.6Very high94.7Very high3 Ų355.3 Ų55.32%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-124.1137-176.5-64.6177.4000109Y127 L140 D141 I143 I193 L197 W201 H218 L220I125-Y127 HydrophobicContact CG2-CD1 4.43Å; I125-L140 CarbonylContact O-C 3.53Å; I125-L140 WeakPolarHBondContact O-CA 3.18Å; I125-D141 PolarHBondContact N-O 3.49Å; I125-D141 PolarHBondContact O-N 2.65Å; I125-I143 HydrophobicContact CD1-CD1 3.7Å; I125-I143 HydrophobicContact CD1-CG1 3.68Å; I125-I143 HydrophobicContact CG1-CD1 4.26Å; I125-I143 HydrophobicContact CG1-CG1 4Å; I125-I193 HydrophobicContact CD1-CD1 3.97Å; I125-I193 HydrophobicContact CD1-CG1 3.51Å; I125-L197 HydrophobicContact CD1-CD1 3.56Å; I125-L197 HydrophobicContact CG1-CD1 4.18Å; I125-W201 HydrophobicContact CD1-CH2 4.48Å; I125-H218 CarbonylContact C-O 3.46Å; I125-H218 VanDerWaalsContact CA-O 3.27Å; I125-H218 WeakPolarHBondContact CA-O 3.41Å; I125-H218 HydrophobicContact CG1-CB 4.38Å; I125-L220 HydrophobicContact CD1-CD1 3.79Å; I125-L220 HydrophobicContact CG1-CD1 4.32Å; I125-L220 HydrophobicContact CG2-CB 3.97Å; I125-L220 HydrophobicContact CG2-CD1 3.68Å; I125-L220 HydrophobicContact CG2-CG 3.65Å
126L96.9Very high94.6Very high15 Ų1551.7 Ų51.78%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-104.4119.5166.9177.362.7000107.9T14 L39 E139 I217 H218 E219 L220T14-L126 HydrophobicContact CG2-CD2 4.11Å; L39-L126 HydrophobicContact CD1-CD1 3.57Å; L39-L126 HydrophobicContact CD2-CD1 4.19Å; L126-E139 WeakPolarHBondContact CA-O 3.25Å; L126-I217 HydrophobicContact CB-CG2 3.75Å; L126-H218 PolarHBondContact N-O 2.96Å; L126-E219 HydrophobicContact CD2-CG 4.49Å; L126-E219 WeakPolarHBondContact O-CA 3.31Å; L126-L220 PolarHBondContact O-N 3.44Å
127Y96.3Very high94.6Very high7 Ų749.8 Ų49.83%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-140.3162.2177.481.5-82.8000111.6I125 A129 E137 H138 E139 D141 W189I125-Y127 HydrophobicContact CG2-CD1 4.43Å; Y127-A129 HydrophobicContact CD2-CB 4.29Å; Y127-A129 HydrophobicContact CE2-CB 4.19Å; Y127-E137 HydrophobicContact CE2-CB 4.04Å; Y127-E137 PolarHBondContact OH-OE2 3.43Å; Y127-H138 WeakPolarHBondContact O-CA 3.17Å; Y127-H138 PolarHBondContact O-CD2 2.98Å; Y127-E139 HydrophobicContact CD1-CB 4.23Å; Y127-E139 HydrophobicContact CE1-CB 3.6Å; Y127-E139 HydrophobicContact CE1-CG 4.32Å; Y127-E139 WeakPolarHBondContact CE1-OE2 3.14Å; Y127-E139 PolarHBondContact N-O 2.96Å; Y127-E139 VanDerWaalsContact N-O 3.11Å; Y127-E139 PolarHBondContact O-N 3.19Å; Y127-E139 VanDerWaalsContact OH-CD 3.26Å; Y127-E139 PolarHBondContact OH-OE2 3.18Å; Y127-D141 HydrophobicContact CD1-CB 4.23Å; Y127-D141 HydrophobicContact CE1-CB 3.95Å; Y127-W189 HydrophobicContact CD1-CB 4.38Å; Y127-W189 HydrophobicContact CD2-CB 4.27Å; Y127-W189 HydrophobicContact CE1-CB 3.95Å; Y127-W189 HydrophobicContact CE2-CB 3.85Å; Y127-W189 HydrophobicContact CE2-CE3 4.38Å
128K95.3Very high94.7Very high119 Ų11942.6 Ų42.652%0.51721%0.208SC..EExtended strand (participates in β ladder)trans-140.4131.3175.9-179.4172.151179.60109.6W30 I33 E137 H138W30-K128 HydrophobicContact CH2-CD 4.1Å; W30-K128 HydrophobicContact CH2-CG 3.91Å; W30-K128 HydrophobicContact CZ3-CD 4.41Å; W30-K128 HydrophobicContact CZ3-CG 3.98Å; I33-K128 HydrophobicContact CG2-CD 3.69Å; I33-K128 HydrophobicContact CG2-CG 4.01Å; K128-E137 CarbonylContact C-O 3.46Å; K128-E137 VanDerWaalsContact CA-O 3.29Å; K128-E137 WeakPolarHBondContact CA-O 3.29Å; K128-H138 HydrophobicContact CG-CB 4.28Å
129A94.4Very high94.9Very high11 Ų1141.9 Ų41.99%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-141124.2-178.600000111.2F66 Y127 G136 E137 P188F66-A129 HydrophobicContact CZ-CB 4.15Å; Y127-A129 HydrophobicContact CD2-CB 4.29Å; Y127-A129 HydrophobicContact CE2-CB 4.19Å; A129-G136 CarbonylContact O-C 3.5Å; A129-G136 WeakPolarHBondContact O-CA 3.47Å; A129-E137 PolarHBondContact N-O 3.38Å; A129-E137 PolarHBondContact O-N 2.83Å; A129-P188 HydrophobicContact CB-CB 3.74Å; A129-P188 HydrophobicContact CB-CG 3.94Å
130Q94Very high95Very high99 Ų9941.9 Ų41.946%0.46320%0.201SC..EExtended strand (participates in β ladder)trans-81.9138.2171.7-167173.619.800110W30 T132W30-Q130 VanDerWaalsContact CD1-NE2 3.32Å; W30-Q130 HydrophobicContact CD2-CB 4.17Å; W30-Q130 HydrophobicContact CD2-CG 3.72Å; W30-Q130 HydrophobicContact CE3-CB 4.02Å; W30-Q130 HydrophobicContact CE3-CG 3.97Å; W30-Q130 HydrophobicContact CG-CG 4.22Å; W30-Q130 HydrophobicContact CH2-CB 3.62Å; W30-Q130 HydrophobicContact CH2-CG 4.23Å; W30-Q130 HydrophobicContact CZ2-CB 3.79Å; W30-Q130 HydrophobicContact CZ2-CG 4.01Å; W30-Q130 HydrophobicContact CZ3-CB 3.74Å; W30-Q130 HydrophobicContact CZ3-CG 4.22Å; Q130-T132 WeakPolarHBondContact CG-O 3.15Å; Q130-T132 PolarHBondContact NE2-O 2.94Å
131Y92Very high95.2Very high81 Ų8138 Ų3832%0.31818%0.184SC..  trans-105.4-51172.5175.2-129.3000111.8L64 L65 F66 P67 L135L64-Y131 WeakPolarHBondContact O-CE1 3.31Å; L65-Y131 HydrophobicContact CB-CD1 4.4Å; L65-Y131 HydrophobicContact CG-CD1 4.44Å; F66-Y131 AromaticContact CD1-CD2 3.52Å; F66-Y131 HydrophobicContact CD1-CD2 3.52Å; F66-Y131 HydrophobicContact CD1-CE2 4.3Å; F66-Y131 HydrophobicContact CD1-CG 4.08Å; F66-Y131 AromaticContact CE1-CD2 3.72Å; F66-Y131 HydrophobicContact CE1-CD2 3.72Å; F66-Y131 HydrophobicContact CE1-CG 4.07Å; F66-Y131 HydrophobicContact CG-CD2 4.09Å; F66-Y131 HydrophobicContact CG-CG 4.37Å; F66-Y131 HydrophobicContact CZ-CD2 4.45Å; F66-Y131 HydrophobicContact CZ-CG 4.35Å; P67-Y131 WeakPolarHBondContact CD-OH 3.42Å; P67-Y131 WeakPolarHBondContact CG-OH 3.29Å; Y131-L135 WeakPolarHBondContact CA-O 3.41Å; Y131-L135 HydrophobicContact CD1-CB 4.44Å; Y131-L135 PolarHBondContact N-O 3.49Å
132T92.8Very high95.4Very high55 Ų5538.1 Ų38.134%0.33718%0.183SC..SBendtrans-133.1179.217563.40000109.7Q130 D134 L135Q130-T132 WeakPolarHBondContact CG-O 3.15Å; Q130-T132 PolarHBondContact NE2-O 2.94Å; T132-D134 PolarHBondContact O-N 2.88Å; T132-D134 PolarHBondContact OG1-N 2.96Å; T132-L135 PolarHBondContact N-O 3.11Å; T132-L135 PolarHBondContact O-N 3.47Å; T132-L135 VanDerWaalsContact O-O 3.12Å; T132-L135 WeakPolarHBondContact OG1-CB 3.48Å; T132-L135 PolarHBondContact OG1-N 3.32Å
133E93.4Very high95.5Very high166 Ų16638.1 Ų38.178%0.77618%0.183SC*.SBendtrans-54.6-37.1173.8-64.6-174.9172.200112.1W30W30-E133 WeakPolarHBondContact CB-O 3.46Å
134D95.1Very high95.6Very high122 Ų12238 Ų3865%0.65218%0.182SC*.SBendtrans-97.5-15.2-177.4-60.2-54.1000115.8W30 T132W30-D134 VanDerWaalsContact CB-C 3.47Å; W30-D134 PolarHBondContact N-O 2.9Å; T132-D134 PolarHBondContact O-N 2.88Å; T132-D134 PolarHBondContact OG1-N 2.96Å
135L95.2Very high95.6Very high38 Ų3836.7 Ų36.720%0.19918%0.177CC..BIsolated β-bridgetrans-131.3143.7-167.7-63.7172.7000112.7H28 L64 L65 Y131 T132H28-L135 WeakPolarHBondContact O-CA 3.45Å; H28-L135 WeakPolarHBondContact O-CD2 3.47Å; L64-L135 HydrophobicContact CD1-CD1 3.96Å; L64-L135 HydrophobicContact CG-CD1 4.05Å; L65-L135 HydrophobicContact CD2-CB 4.49Å; L65-L135 HydrophobicContact CG-CB 4.43Å; Y131-L135 WeakPolarHBondContact CA-O 3.41Å; Y131-L135 HydrophobicContact CD1-CB 4.44Å; Y131-L135 PolarHBondContact N-O 3.49Å; T132-L135 PolarHBondContact N-O 3.11Å; T132-L135 PolarHBondContact O-N 3.47Å; T132-L135 VanDerWaalsContact O-O 3.12Å; T132-L135 WeakPolarHBondContact OG1-CB 3.48Å; T132-L135 PolarHBondContact OG1-N 3.32Å
136G95.3Very high95.5Very high0 Ų036.6 Ų36.60%018%0.177CC..EExtended strand (participates in β ladder)trans-172.3-172.5172.200000112.4H28 I33 L65 A129H28-G136 VanDerWaalsContact CA-O 3.31Å; H28-G136 WeakPolarHBondContact CA-O 3.44Å; H28-G136 PolarHBondContact O-N 2.87Å; H28-G136 VanDerWaalsContact O-N 3.12Å; I33-G136 VanDerWaalsContact CD1-C 3.44Å; I33-G136 WeakPolarHBondContact CD1-O 3.31Å; L65-G136 VanDerWaalsContact CD2-C 3.44Å; L65-G136 WeakPolarHBondContact CD2-O 3.48Å; A129-G136 CarbonylContact O-C 3.5Å; A129-G136 WeakPolarHBondContact O-CA 3.47Å
137E95.3Very high95.3Very high10 Ų1040.4 Ų40.45%0.04719%0.194CC..EExtended strand (participates in β ladder)trans-121.5142.7177.8-73.5167.8179.700109.5L65 F66 Y127 K128 A129 E139 W189L65-E137 HydrophobicContact CD2-CG 3.83Å; F66-E137 HydrophobicContact CE2-CG 4.34Å; Y127-E137 HydrophobicContact CE2-CB 4.04Å; Y127-E137 PolarHBondContact OH-OE2 3.43Å; K128-E137 CarbonylContact C-O 3.46Å; K128-E137 VanDerWaalsContact CA-O 3.29Å; K128-E137 WeakPolarHBondContact CA-O 3.29Å; A129-E137 PolarHBondContact N-O 3.38Å; A129-E137 PolarHBondContact O-N 2.83Å; E137-E139 HydrophobicContact CB-CG 4.35Å; E137-W189 WeakPolarHBondContact OE2-CZ3 3.26Å
138H97.1Very high95.1Very high26 Ų2641.7 Ų41.712%0.1220%0.204CC..EExtended strand (participates in β ladder)trans-146.298.7169.5-176.6-153.3000107.4I33 H40 Y127 K128I33-H138 HydrophobicContact CB-CB 4.36Å; I33-H138 HydrophobicContact CD1-CB 4.23Å; I33-H138 HydrophobicContact CG1-CB 3.91Å; I33-H138 HydrophobicContact CG2-CB 3.67Å; H40-H138 PolarHBondContact N-O 3.08Å; H40-H138 PolarHBondContact ND1-O 2.82Å; Y127-H138 WeakPolarHBondContact O-CA 3.17Å; Y127-H138 PolarHBondContact O-CD2 2.98Å; K128-H138 HydrophobicContact CG-CB 4.28Å
139E98Very high95Very high9 Ų940.7 Ų40.74%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-131.7142.8-160.7-67.5-175.4163.500111.5H40 A42 H80 L126 Y127 E137H40-E139 IonicContact NE2-OE1 3.68Å; H40-E139 PolarHBondContact NE2-OE1 2.88Å; H40-E139 WeakPolarHBondContact O-CA 3.36Å; A42-E139 HydrophobicContact CB-CB 3.85Å; A42-E139 HydrophobicContact CB-CG 3.87Å; A42-E139 WeakPolarHBondContact CB-OE2 3.44Å; H80-E139 IonicContact CD2-OE1 2.81Å; H80-E139 IonicContact CE1-OE1 3.28Å; H80-E139 IonicContact NE2-OE1 3.37Å; H80-E139 PolarHBondContact NE2-OE1 3.33Å; L126-E139 WeakPolarHBondContact CA-O 3.25Å; Y127-E139 HydrophobicContact CD1-CB 4.23Å; Y127-E139 HydrophobicContact CE1-CB 3.6Å; Y127-E139 HydrophobicContact CE1-CG 4.32Å; Y127-E139 WeakPolarHBondContact CE1-OE2 3.14Å; Y127-E139 PolarHBondContact N-O 2.96Å; Y127-E139 VanDerWaalsContact N-O 3.11Å; Y127-E139 PolarHBondContact O-N 3.19Å; Y127-E139 VanDerWaalsContact OH-CD 3.26Å; Y127-E139 PolarHBondContact OH-OE2 3.18Å; E137-E139 HydrophobicContact CB-CG 4.35Å
140L98Very high94.7Very high0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-95.497.1159-160.2160.7000107.8V12 D16 L39 H40 A42 R124 I125 Y142 I217V12-L140 HydrophobicContact CG2-CB 4.06Å; V12-L140 HydrophobicContact CG2-CD1 4.3Å; D16-L140 HydrophobicContact CB-CD1 3.39Å; D16-L140 HydrophobicContact CB-CD2 4.18Å; D16-L140 HydrophobicContact CB-CG 4.43Å; L39-L140 HydrophobicContact CD1-CB 4.43Å; H40-L140 PolarHBondContact O-N 3.32Å; A42-L140 PolarHBondContact N-O 3.2Å; R124-L140 HydrophobicContact CB-CD2 4.09Å; R124-L140 HydrophobicContact CG-CD2 4.37Å; I125-L140 CarbonylContact O-C 3.53Å; I125-L140 WeakPolarHBondContact O-CA 3.18Å; L140-Y142 HydrophobicContact CD2-CD2 4.22Å; L140-Y142 HydrophobicContact CD2-CE2 3.9Å; L140-I217 HydrophobicContact CD1-CD1 4.02Å
141D97.9Very high94.4Very high0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-94.7119.4-168.5-170.98.2000111.9A42 F43 S44 R124 I125 Y127A42-D141 HydrophobicContact CB-CB 4.48Å; F43-D141 WeakPolarHBondContact CA-OD1 3.42Å; F43-D141 PolarHBondContact N-OD1 3.01Å; S44-D141 VanDerWaalsContact CB-OD2 3.29Å; S44-D141 WeakPolarHBondContact CB-OD2 3.35Å; S44-D141 PolarHBondContact N-OD1 2.89Å; S44-D141 PolarHBondContact OG-OD1 2.98Å; S44-D141 PolarHBondContact OG-OD2 2.97Å; R124-D141 CarbonylContact C-O 3.55Å; R124-D141 VanDerWaalsContact CA-O 3.3Å; R124-D141 WeakPolarHBondContact CA-O 3.31Å; I125-D141 PolarHBondContact N-O 3.49Å; I125-D141 PolarHBondContact O-N 2.65Å; Y127-D141 HydrophobicContact CD1-CB 4.23Å; Y127-D141 HydrophobicContact CE1-CB 3.95Å
142Y97.7Very high94.2Very high10 Ų1039.8 Ų39.84%0.03921%0.212CC..EExtended strand (participates in β ladder)trans-80.2119.6172.1-83.9-109.3000110.7D16 R41 A42 F43 S44 F94 I97 R124 L140 I144 M214D16-Y142 VanDerWaalsContact OD2-CE2 3.24Å; D16-Y142 WeakPolarHBondContact OD2-CE2 3.44Å; D16-Y142 PolarHBondContact OD2-OH 2.86Å; R41-Y142 HydrophobicContact CG-CD2 3.91Å; R41-Y142 HydrophobicContact CG-CE2 3.79Å; A42-Y142 PolarHBondContact O-N 2.88Å; F43-Y142 CarbonylContact C-O 3.58Å; F43-Y142 VanDerWaalsContact CA-O 3.29Å; F43-Y142 WeakPolarHBondContact CA-O 3.48Å; S44-Y142 PolarHBondContact N-O 3.41Å; F94-Y142 AromaticContact CD1-CE1 3.7Å; F94-Y142 HydrophobicContact CD1-CE1 3.7Å; F94-Y142 HydrophobicContact CE1-CE1 4.1Å; I97-Y142 HydrophobicContact CD1-CD2 4.4Å; I97-Y142 HydrophobicContact CD1-CG 4.44Å; I97-Y142 HydrophobicContact CG1-CD1 4.3Å; I97-Y142 HydrophobicContact CG1-CD2 4.35Å; I97-Y142 HydrophobicContact CG1-CG 3.93Å; I97-Y142 HydrophobicContact CG2-CD1 3.98Å; I97-Y142 HydrophobicContact CG2-CE1 4.34Å; I97-Y142 HydrophobicContact CG2-CG 4.44Å; R124-Y142 HydrophobicContact CG-CD1 4.08Å; R124-Y142 HydrophobicContact CG-CD2 4.31Å; R124-Y142 HydrophobicContact CG-CE1 4.01Å; R124-Y142 HydrophobicContact CG-CE2 4.22Å; R124-Y142 HydrophobicContact CG-CG 4.24Å; L140-Y142 HydrophobicContact CD2-CD2 4.22Å; L140-Y142 HydrophobicContact CD2-CE2 3.9Å; Y142-I144 PolarHBondContact O-N 3.4Å; Y142-M214 HydrophobicContact CD1-CE 3.68Å; Y142-M214 HydrophobicContact CE1-CE 3.49Å; Y142-M214 VanDerWaalsContact CE1-CE 3.49Å
143I95.9Very high94.1Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-85.8120.6175.3-49.4-51.5000109.2F46 C121 V122 S123 I125 F145 I193 W201F46-I143 HydrophobicContact CD2-CG2 3.82Å; F46-I143 HydrophobicContact CE2-CD1 4.41Å; F46-I143 HydrophobicContact CE2-CG2 3.74Å; C121-I143 WeakPolarHBondContact CA-O 3.43Å; V122-I143 HydrophobicContact CG2-CB 3.82Å; V122-I143 HydrophobicContact CG2-CG2 3.57Å; V122-I143 WeakPolarHBondContact CG2-O 3.29Å; V122-I143 PolarHBondContact N-O 2.85Å; S123-I143 PolarHBondContact O-N 3.48Å; I125-I143 HydrophobicContact CD1-CD1 3.7Å; I125-I143 HydrophobicContact CD1-CG1 3.68Å; I125-I143 HydrophobicContact CG1-CD1 4.26Å; I125-I143 HydrophobicContact CG1-CG1 4Å; I143-F145 HydrophobicContact CG2-CD1 4.19Å; I143-F145 HydrophobicContact CG2-CE1 3.88Å; I143-I193 HydrophobicContact CD1-CD1 3.69Å; I143-W201 HydrophobicContact CB-CH2 4.18Å; I143-W201 HydrophobicContact CB-CZ3 4.36Å; I143-W201 HydrophobicContact CG1-CH2 3.97Å; I143-W201 HydrophobicContact CG1-CZ3 4.33Å; I143-W201 HydrophobicContact CG2-CE3 4.36Å; I143-W201 HydrophobicContact CG2-CH2 3.93Å; I143-W201 HydrophobicContact CG2-CZ3 3.61Å
144I96Very high94.1Very high0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-124.3121.1-173.5-56177.2000109.3F43 S44 V45 F46 I97 A101 F119 H120 Y142F43-I144 HydrophobicContact CB-CD1 3.83Å; F43-I144 HydrophobicContact CG-CD1 4.38Å; S44-I144 PolarHBondContact O-N 3.14Å; V45-I144 CarbonylContact C-O 3.52Å; V45-I144 VanDerWaalsContact CA-O 3.26Å; V45-I144 WeakPolarHBondContact CA-O 3.15Å; V45-I144 HydrophobicContact CG2-CB 4.37Å; F46-I144 PolarHBondContact N-O 3.02Å; I97-I144 HydrophobicContact CG1-CD1 4.11Å; I97-I144 HydrophobicContact CG2-CD1 4.41Å; A101-I144 HydrophobicContact CB-CD1 3.96Å; F119-I144 HydrophobicContact CB-CG2 3.81Å; F119-I144 HydrophobicContact CD1-CG2 3.88Å; F119-I144 HydrophobicContact CG-CG2 4.35Å; H120-I144 CarbonylContact O-C 3.46Å; H120-I144 WeakPolarHBondContact O-CA 2.96Å; Y142-I144 PolarHBondContact O-N 3.4Å
145F95.2Very high94Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-97.1144.1173.8-78.619000110.2F46 F48 H120 V122 I143 L198 W201 M208 L211F46-F145 HydrophobicContact CB-CD1 3.65Å; F46-F145 HydrophobicContact CB-CE1 3.66Å; F46-F145 HydrophobicContact CB-CG 4.49Å; F46-F145 HydrophobicContact CB-CZ 4.5Å; F46-F145 HydrophobicContact CD1-CE1 4.42Å; F46-F145 HydrophobicContact CD2-CD1 4.17Å; F46-F145 AromaticContact CD2-CE1 3.88Å; F46-F145 HydrophobicContact CD2-CE1 3.88Å; F46-F145 HydrophobicContact CG-CD1 4.12Å; F46-F145 AromaticContact CG-CE1 3.73Å; F46-F145 HydrophobicContact CG-CE1 3.73Å; F46-F145 WeakPolarHBondContact O-CA 3.35Å; F48-F145 HydrophobicContact CE2-CD1 4.32Å; F48-F145 AromaticContact CE2-CD2 3.87Å; F48-F145 HydrophobicContact CE2-CD2 3.87Å; F48-F145 HydrophobicContact CE2-CE1 4.36Å; F48-F145 AromaticContact CE2-CE2 3.91Å; F48-F145 HydrophobicContact CE2-CE2 3.91Å; F48-F145 HydrophobicContact CE2-CG 4.06Å; F48-F145 HydrophobicContact CE2-CZ 4.16Å; F48-F145 HydrophobicContact CZ-CE2 4.1Å; F48-F145 HydrophobicContact CZ-CZ 4.16Å; H120-F145 PolarHBondContact N-O 3.1Å; H120-F145 PolarHBondContact O-N 3.15Å; V122-F145 HydrophobicContact CG1-CB 4.18Å; V122-F145 HydrophobicContact CG1-CD1 4.45Å; V122-F145 HydrophobicContact CG1-CD2 4.3Å; V122-F145 HydrophobicContact CG1-CG 4.05Å; V122-F145 HydrophobicContact CG2-CD1 3.86Å; V122-F145 HydrophobicContact CG2-CE1 4.03Å; V122-F145 HydrophobicContact CG2-CG 4.29Å; I143-F145 HydrophobicContact CG2-CD1 4.19Å; I143-F145 HydrophobicContact CG2-CE1 3.88Å; F145-L198 HydrophobicContact CZ-CD1 4.24Å; F145-W201 AromaticContact CE1-CE3 3.96Å; F145-W201 HydrophobicContact CE1-CE3 3.96Å; F145-W201 HydrophobicContact CE2-CB 3.73Å; F145-W201 HydrophobicContact CE2-CG 4.48Å; F145-W201 HydrophobicContact CZ-CB 3.58Å; F145-W201 HydrophobicContact CZ-CD2 4.06Å; F145-W201 AromaticContact CZ-CE3 3.7Å; F145-W201 HydrophobicContact CZ-CE3 3.7Å; F145-W201 HydrophobicContact CZ-CG 4.1Å; F145-M208 HydrophobicContact CB-CE 3.79Å; F145-M208 HydrophobicContact CB-SD 3.61Å; F145-M208 HydrophobicContact CD2-CE 4.26Å; F145-M208 HydrophobicContact CD2-SD 4.4Å; F145-L211 HydrophobicContact CE2-CD1 4.22Å
146T94.1Very high94Very high0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-147.3155.5171.9-1650000110.7V45 F46 L47 F48 S118 F119V45-T146 HydrophobicContact CG1-CG2 3.71Å; F46-T146 PolarHBondContact O-N 2.8Å; L47-T146 WeakPolarHBondContact CA-O 3.3Å; L47-T146 HydrophobicContact CB-CG2 4.03Å; L47-T146 HydrophobicContact CD1-CG2 3.65Å; L47-T146 HydrophobicContact CG-CG2 4.46Å; F48-T146 PolarHBondContact N-O 3.23Å; S118-T146 VanDerWaalsContact O-CA 3.31Å; S118-T146 WeakPolarHBondContact O-CA 3.49Å; S118-T146 WeakPolarHBondContact O-CB 3.24Å; S118-T146 PolarHBondContact O-OG1 2.99Å; S118-T146 PolarHBondContact OG-OG1 3.16Å; F119-T146 HydrophobicContact CE1-CG2 4.46Å
147Q92.1Very high93.8Very high95 Ų9541 Ų4144%0.44422%0.223SC..EExtended strand (participates in β ladder)trans-123.9129.2179.3-80.7178-26.400110.4F48 I205 M208F48-Q147 HydrophobicContact CB-CG 4.34Å; F48-Q147 VanDerWaalsContact O-CA 3.25Å; F48-Q147 WeakPolarHBondContact O-CA 3.29Å; Q147-I205 HydrophobicContact CG-CD1 4.42Å; Q147-M208 HydrophobicContact CG-CE 3.79Å
148S92.8Very high93.7Very high34 Ų3442.8 Ų42.824%0.23823%0.231CC..  trans-167.4140174-172.30000110.1F48 L150 Y164F48-S148 PolarHBondContact O-N 3.34Å; S148-L150 PolarHBondContact O-N 3.41Å; S148-L150 PolarHBondContact OG-N 2.94Å; S148-Y164 PolarHBondContact O-OH 3.03Å
149D92.7Very high93.5Very high98 Ų9841.5 Ų41.552%0.52423%0.226SC..  trans-80.539.6168.6-62.2-52.3000111.3N49 S50 V151N49-D149 WeakPolarHBondContact CB-OD1 3.49Å; S50-D149 VanDerWaalsContact CB-OD1 3.23Å; S50-D149 WeakPolarHBondContact CB-OD1 3.28Å; S50-D149 WeakPolarHBondContact CB-OD2 3.11Å; S50-D149 PolarHBondContact N-OD1 3.04Å; S50-D149 VanDerWaalsContact OG-CG 3.25Å; S50-D149 PolarHBondContact OG-OD1 2.89Å; S50-D149 PolarHBondContact OG-OD2 2.99Å; D149-V151 PolarHBondContact O-N 3.26Å
150L87.7Confident93.3Very high17 Ų1744.6 Ų44.69%0.08924%0.24CC..  trans-66.2137.2-177.678.594.5000109.8L47 L55 M105 I111 L114 S148 P152 Y164L47-L150 HydrophobicContact CD1-CD2 3.85Å; L47-L150 HydrophobicContact CD2-CD1 4.3Å; L47-L150 HydrophobicContact CD2-CD2 3.21Å; L47-L150 HydrophobicContact CD2-CG 3.62Å; L47-L150 HydrophobicContact CG-CD2 4.16Å; L55-L150 HydrophobicContact CD2-CD1 4.27Å; M105-L150 HydrophobicContact CE-CD2 4.05Å; I111-L150 HydrophobicContact CD1-CD2 3.99Å; I111-L150 HydrophobicContact CG2-CD1 4.35Å; L114-L150 HydrophobicContact CD1-CD2 4.32Å; S148-L150 PolarHBondContact O-N 3.41Å; S148-L150 PolarHBondContact OG-N 2.94Å; L150-P152 HydrophobicContact CD1-CB 4.09Å; L150-P152 VanDerWaalsContact O-CD 3.29Å; L150-P152 WeakPolarHBondContact O-CD 3.43Å; L150-Y164 PolarHBondContact O-OH 3.34Å; L150-Y164 VanDerWaalsContact O-OH 3.05Å
151V88.8Confident93.2Very high128 Ų12849.3 Ų49.378%0.77626%0.263SS*.  trans-88.6110.1169.4-1780000106.9D149 L153D149-V151 PolarHBondContact O-N 3.26Å; V151-L153 PolarHBondContact O-N 3.24Å
152P86.4Confident93.1Very high27 Ų2750.9 Ų50.918%0.17527%0.273CS..  trans-65.9132.5-173.224.5-33.7000111L55 F109 L150 P154 T162L55-P152 HydrophobicContact CD1-CG 4.11Å; L55-P152 HydrophobicContact CD2-CB 4.17Å; L55-P152 HydrophobicContact CD2-CG 4.47Å; F109-P152 HydrophobicContact CD1-CB 4.02Å; L150-P152 HydrophobicContact CD1-CB 4.09Å; L150-P152 VanDerWaalsContact O-CD 3.29Å; L150-P152 WeakPolarHBondContact O-CD 3.43Å; P152-P154 WeakPolarHBondContact O-CD 3.48Å; P152-T162 HydrophobicContact CB-CG2 4Å; P152-T162 HydrophobicContact CG-CG2 4.45Å; P152-T162 VanDerWaalsContact CG-OG1 3.24Å; P152-T162 WeakPolarHBondContact CG-OG1 3.1Å
153L91Very high93Very high112 Ų11254 Ų5459%0.58629%0.287SS*.  trans-11971.9172.9-159.9104.2000109.6F109 N110 V151 N155F109-L153 CarbonylContact C-O 3.08Å; F109-L153 CarbonylContact O-C 3.55Å; F109-L153 WeakPolarHBondContact O-CB 3.28Å; F109-L153 PolarHBondContact O-N 3.47Å; N110-L153 HydrophobicContact CB-CB 4.37Å; N110-L153 HydrophobicContact CB-CD2 3.85Å; N110-L153 WeakPolarHBondContact CB-O 3.35Å; N110-L153 PolarHBondContact ND2-O 2.99Å; V151-L153 PolarHBondContact O-N 3.24Å; L153-N155 PolarHBondContact O-N 2.84Å
154P93.2Very high93Very high34 Ų3456.4 Ų56.422%0.22130%0.297CS..  trans-56.5134.5-166.623.4-33.9000112.4E108 P152 L156 V159 T162E108-P154 WeakPolarHBondContact O-CA 3.08Å; P152-P154 WeakPolarHBondContact O-CD 3.48Å; P154-L156 PolarHBondContact O-N 3.45Å; P154-V159 HydrophobicContact CB-CB 3.72Å; P154-V159 HydrophobicContact CB-CG1 3.7Å; P154-T162 HydrophobicContact CB-CG2 4.23Å; P154-T162 HydrophobicContact CG-CG2 4.37Å
155N94.6Very high93.1Very high48 Ų4856.4 Ų56.426%0.25730%0.297SS..  trans-73110.9163.3177.1-1.4000108Q107 E108 N110 L153 D157 E158 V159Q107-N155 WeakPolarHBondContact O-CB 3.26Å; Q107-N155 PolarHBondContact O-ND2 2.97Å; E108-N155 PolarHBondContact O-N 3.39Å; N110-N155 WeakPolarHBondContact ND2-CA 3.44Å; N110-N155 PolarHBondContact ND2-N 2.92Å; L153-N155 PolarHBondContact O-N 2.84Å; N155-D157 PolarHBondContact O-N 2.78Å; N155-D157 VanDerWaalsContact O-N 3.08Å; N155-D157 PolarHBondContact OD1-N 3.33Å; N155-D157 VanDerWaalsContact OD1-N 3.17Å; N155-E158 WeakPolarHBondContact O-CA 3.31Å; N155-E158 PolarHBondContact O-N 2.5Å; N155-V159 PolarHBondContact O-N 2.86Å
156L94Very high93.1Very high122 Ų12257.7 Ų57.764%0.63931%0.306SS*.THydrogen-bonded Turntrans-65.3-13.7-173.4-61.3-178.9000114.7P154 E158 V159P154-L156 PolarHBondContact O-N 3.45Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-V159 WeakPolarHBondContact CA-O 3.44Å
157D91.2Very high93.1Very high92 Ų9261 Ų6149%0.49233%0.327SS..THydrogen-bonded Turntrans-75.5-18.6169.9-74.2-37000112.6A60 K62 N155A60-D157 VanDerWaalsContact CB-C 3.48Å; A60-D157 VanDerWaalsContact CB-O 3.27Å; A60-D157 WeakPolarHBondContact CB-O 3.22Å; K62-D157 IonicContact NZ-OD1 3.47Å; K62-D157 PolarHBondContact NZ-OD1 3.39Å; N155-D157 PolarHBondContact O-N 2.78Å; N155-D157 VanDerWaalsContact O-N 3.08Å; N155-D157 PolarHBondContact OD1-N 3.33Å; N155-D157 VanDerWaalsContact OD1-N 3.17Å
158E92.4Very high93.2Very high46 Ų4661.6 Ų61.622%0.21534%0.338CS..THydrogen-bonded Turntrans-115.9-40.2-176.4-63.5-79.1-139.700113A60 K63 K104 E108 N155 L156A60-E158 WeakPolarHBondContact CB-O 3.36Å; A60-E158 PolarHBondContact N-O 3.19Å; K63-E158 WeakPolarHBondContact CE-O 3.38Å; K63-E158 WeakPolarHBondContact CE-OE2 3.3Å; K63-E158 IonicContact NZ-OE2 3.99Å; K63-E158 PolarHBondContact NZ-OE2 2.77Å; K104-E158 IonicContact NZ-OE1 3.17Å; K104-E158 PolarHBondContact NZ-OE1 2.86Å; E108-E158 HydrophobicContact CB-CB 4.37Å; E108-E158 HydrophobicContact CG-CB 3.89Å; E108-E158 HydrophobicContact CG-CG 4.14Å; N155-E158 WeakPolarHBondContact O-CA 3.31Å; N155-E158 PolarHBondContact O-N 2.5Å; L156-E158 VanDerWaalsContact C-N 3.27Å
159V93.9Very high93.4Very high0 Ų064.1 Ų64.10%035%0.345CS..EExtended strand (participates in β ladder)trans-131.9120.6-174.4-178.30000110.1Q57 E108 F109 P154 N155 L156 M161 T162Q57-V159 HydrophobicContact CB-CG1 3.83Å; E108-V159 HydrophobicContact CB-CG2 4.02Å; F109-V159 HydrophobicContact CE1-CG2 4.4Å; P154-V159 HydrophobicContact CB-CB 3.72Å; P154-V159 HydrophobicContact CB-CG1 3.7Å; N155-V159 PolarHBondContact O-N 2.86Å; L156-V159 WeakPolarHBondContact CA-O 3.44Å; V159-M161 WeakPolarHBondContact CG1-O 2.96Å; V159-T162 HydrophobicContact CG1-CG2 3.69Å
160E94.4Very high93.6Very high74 Ų7459.8 Ų59.835%0.34632%0.322SS..EExtended strand (participates in β ladder)trans-79.5-41.1179.2-173.8-175.6143.800112.1K58K58-E160 HydrophobicContact CB-CB 4.36Å; K58-E160 HydrophobicContact CD-CB 4.3Å; K58-E160 HydrophobicContact CD-CG 4.3Å; K58-E160 WeakPolarHBondContact CE-OE1 3.19Å; K58-E160 WeakPolarHBondContact CE-OE2 3.14Å; K58-E160 HydrophobicContact CG-CB 4.34Å; K58-E160 IonicContact NZ-OE1 2.73Å; K58-E160 PolarHBondContact NZ-OE1 3.16Å; K58-E160 IonicContact NZ-OE2 3.65Å; K58-E160 PolarHBondContact NZ-OE2 2.89Å; K58-E160 PolarHBondContact O-N 3.26Å
161M94.5Very high93.9Very high99 Ų9965.2 Ų65.249%0.48835%0.345SS..EExtended strand (participates in β ladder)trans-152.9154.3-175.3-174.2176-7500110.4Q57 K58 W73 V159Q57-M161 CarbonylContact C-O 3.35Å; Q57-M161 WeakPolarHBondContact CA-O 3.48Å; K58-M161 HydrophobicContact CB-CB 3.92Å; K58-M161 PolarHBondContact N-O 3.45Å; W73-M161 HydrophobicContact CH2-CB 4.17Å; W73-M161 HydrophobicContact CH2-CG 3.83Å; W73-M161 HydrophobicContact CH2-SD 3.77Å; W73-M161 HydrophobicContact CZ2-CG 4.44Å; W73-M161 HydrophobicContact CZ2-SD 3.96Å; V159-M161 WeakPolarHBondContact CG1-O 2.96Å
162T95.7Very high94.2Very high33 Ų3362.1 Ų62.120%0.20233%0.329CS..EExtended strand (participates in β ladder)trans-132.2148175.858.10000110.8I56 F109 P152 P154 V159I56-T162 WeakPolarHBondContact O-CA 3.39Å; F109-T162 HydrophobicContact CD1-CG2 4.24Å; F109-T162 HydrophobicContact CE1-CG2 3.66Å; P152-T162 HydrophobicContact CB-CG2 4Å; P152-T162 HydrophobicContact CG-CG2 4.45Å; P152-T162 VanDerWaalsContact CG-OG1 3.24Å; P152-T162 WeakPolarHBondContact CG-OG1 3.1Å; P154-T162 HydrophobicContact CB-CG2 4.23Å; P154-T162 HydrophobicContact CG-CG2 4.37Å; V159-T162 HydrophobicContact CG1-CG2 3.69Å
163Q95.8Very high94.6Very high74 Ų7462.4 Ų62.435%0.34633%0.329SS..EExtended strand (participates in β ladder)trans-147.3134.8175.7-177.6176.3-7.800110.4I56 W73 V165I56-Q163 HydrophobicContact CG1-CB 4.12Å; I56-Q163 VanDerWaalsContact CG1-O 3.23Å; I56-Q163 WeakPolarHBondContact CG1-O 3.25Å; I56-Q163 PolarHBondContact N-O 3.19Å; I56-Q163 PolarHBondContact O-N 2.89Å; W73-Q163 HydrophobicContact CH2-CB 4.26Å; W73-Q163 HydrophobicContact CZ3-CB 4Å; Q163-V165 HydrophobicContact CG-CG1 3.85Å
164Y97.2Very high94.8Very high51 Ų5157.8 Ų57.820%0.231%0.305CS..EExtended strand (participates in β ladder)trans-79.4131162.7-81.5-78000109.4L47 N49 D53 M54 L55 S148 L150L47-Y164 HydrophobicContact CD2-CE1 4.47Å; L47-Y164 WeakPolarHBondContact CD2-OH 3.17Å; N49-Y164 HydrophobicContact CB-CD1 4.13Å; N49-Y164 HydrophobicContact CB-CE1 3.65Å; D53-Y164 HydrophobicContact CB-CD1 4.18Å; M54-Y164 CarbonylContact O-C 3.18Å; M54-Y164 WeakPolarHBondContact O-CA 3.37Å; L55-Y164 HydrophobicContact CB-CD1 4.09Å; L55-Y164 HydrophobicContact CB-CE1 3.73Å; L55-Y164 HydrophobicContact CD1-CD1 4.48Å; L55-Y164 HydrophobicContact CD1-CD2 4.01Å; L55-Y164 HydrophobicContact CD1-CE1 4.43Å; L55-Y164 HydrophobicContact CD1-CE2 3.94Å; L55-Y164 HydrophobicContact CD1-CG 4.29Å; S148-Y164 PolarHBondContact O-OH 3.03Å; L150-Y164 PolarHBondContact O-OH 3.34Å; L150-Y164 VanDerWaalsContact O-OH 3.05Å
165V97Very high94.8Very high0 Ų061 Ų610%032%0.317CS..EExtended strand (participates in β ladder)trans-128.8133.8179.9-64.40000111.1D53 M54 I56 Q163 Q169 L170 L173 W202D53-V165 WeakPolarHBondContact CA-O 3.37Å; M54-V165 HydrophobicContact CE-CG2 4.44Å; M54-V165 PolarHBondContact N-O 2.89Å; M54-V165 WeakPolarHBondContact O-CG2 3.37Å; M54-V165 PolarHBondContact O-N 3.01Å; I56-V165 HydrophobicContact CD1-CG1 3.69Å; I56-V165 HydrophobicContact CD1-CG2 4.14Å; I56-V165 HydrophobicContact CG1-CG1 4.01Å; I56-V165 HydrophobicContact CG1-CG2 4.12Å; I56-V165 HydrophobicContact CG2-CG2 3.94Å; Q163-V165 HydrophobicContact CG-CG1 3.85Å; V165-Q169 HydrophobicContact CB-CB 4.09Å; V165-Q169 HydrophobicContact CG1-CB 4.43Å; V165-L170 HydrophobicContact CG2-CB 4.05Å; V165-L170 HydrophobicContact CG2-CD1 4.39Å; V165-L173 HydrophobicContact CG1-CD1 3.83Å; V165-W202 HydrophobicContact CG2-CH2 4.46Å; V165-W202 WeakPolarHBondContact O-CH2 3.47Å; V165-W202 WeakPolarHBondContact O-CZ2 3.16Å
166S95.8Very high94.8Very high27 Ų2762.4 Ų62.419%0.18932%0.324CS..  trans-73.4165.3167.775.10000111.1D53 V168 Q169 L170D53-S166 WeakPolarHBondContact OD1-CA 3.43Å; D53-S166 WeakPolarHBondContact OD1-CB 3.42Å; D53-S166 PolarHBondContact OD1-N 2.88Å; S166-V168 PolarHBondContact O-N 2.8Å; S166-Q169 PolarHBondContact O-N 3.34Å; S166-Q169 VanDerWaalsContact O-N 3.11Å; S166-Q169 WeakPolarHBondContact OG-CG 3.47Å; S166-Q169 PolarHBondContact OG-N 3.08Å; S166-Q169 PolarHBondContact OG-OE1 3.49Å; S166-L170 PolarHBondContact O-N 2.93Å
167P93.5Very high94.8Very high69 Ų6957 Ų5745%0.44830%0.296SS..Hα-helixtrans-53.5-39.4175.4-2733.1000113.3K171 W202P167-K171 WeakPolarHBondContact O-CB 3.32Å; P167-K171 PolarHBondContact O-N 2.97Å; P167-W202 HydrophobicContact CB-CD2 4.47Å; P167-W202 HydrophobicContact CG-CD2 3.86Å; P167-W202 HydrophobicContact CG-CE3 4.37Å; P167-W202 HydrophobicContact CG-CG 4.18Å; P167-W202 HydrophobicContact CG-CH2 4.47Å; P167-W202 HydrophobicContact CG-CZ2 3.96Å
168V94.8Very high94.7Very high109 Ų10958.9 Ų58.966%0.66130%0.302SS*.Hα-helixtrans-68-44.7179.1177.90000110.7S166 K171 S172S166-V168 PolarHBondContact O-N 2.8Å; V168-K171 PolarHBondContact O-N 2.99Å; V168-S172 PolarHBondContact O-N 3.35Å; V168-S172 VanDerWaalsContact O-N 3.08Å; V168-S172 PolarHBondContact O-OG 2.78Å
169Q97.1Very high94.6Very high86 Ų8660.1 Ų60.140%0.40233%0.327SS..Hα-helixtrans-64-44.2177.8-73170.2-3100111.5V165 S166 K171 S172 L173V165-Q169 HydrophobicContact CB-CB 4.09Å; V165-Q169 HydrophobicContact CG1-CB 4.43Å; S166-Q169 PolarHBondContact O-N 3.34Å; S166-Q169 VanDerWaalsContact O-N 3.11Å; S166-Q169 WeakPolarHBondContact OG-CG 3.47Å; S166-Q169 PolarHBondContact OG-N 3.08Å; S166-Q169 PolarHBondContact OG-OE1 3.49Å; Q169-K171 VanDerWaalsContact C-N 3.32Å; Q169-K171 PolarHBondContact O-N 2.76Å; Q169-S172 PolarHBondContact O-N 3.47Å; Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.37Å
170L96.1Very high94.3Very high7 Ų763.8 Ų63.84%0.03735%0.347CS..Hα-helixtrans-60-45.3176.9-179.364.8000110.9M54 V165 S166 S172 L173 L174 F186 F190 L198 W202M54-L170 HydrophobicContact CE-CD1 4.5Å; M54-L170 HydrophobicContact CE-CD2 3.77Å; V165-L170 HydrophobicContact CG2-CB 4.05Å; V165-L170 HydrophobicContact CG2-CD1 4.39Å; S166-L170 PolarHBondContact O-N 2.93Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.24Å; L170-L173 PolarHBondContact O-N 2.97Å; L170-L173 VanDerWaalsContact O-N 3.12Å; L170-L174 HydrophobicContact CD1-CD1 4.35Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CD2-CD1 4.26Å; L170-L174 HydrophobicContact CG-CD1 3.87Å; L170-L174 HydrophobicContact CG-CG 4.2Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.29Å; L170-F186 HydrophobicContact CD1-CE1 4.39Å; L170-F186 HydrophobicContact CD1-CZ 4.29Å; L170-F190 HydrophobicContact CD1-CE1 3.9Å; L170-F190 HydrophobicContact CD1-CZ 3.8Å; L170-F190 HydrophobicContact CD2-CZ 3.99Å; L170-L198 HydrophobicContact CD2-CD2 3.65Å; L170-W202 HydrophobicContact CB-CH2 4.38Å; L170-W202 HydrophobicContact CB-CZ3 4.23Å; L170-W202 HydrophobicContact CD2-CH2 4.36Å; L170-W202 HydrophobicContact CD2-CZ3 3.6Å
171K94.2Very high93.8Very high132 Ų13267 Ų6757%0.57436%0.362SS*.Hα-helixtrans-55.7-47.5176.9-176.5178.6175.6-178.60111.6P167 V168 Q169 L173 L174 E175P167-K171 WeakPolarHBondContact O-CB 3.32Å; P167-K171 PolarHBondContact O-N 2.97Å; V168-K171 PolarHBondContact O-N 2.99Å; Q169-K171 VanDerWaalsContact C-N 3.32Å; Q169-K171 PolarHBondContact O-N 2.76Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 2.6Å; K171-L174 PolarHBondContact O-N 2.99Å; K171-E175 WeakPolarHBondContact CE-OE1 3.27Å; K171-E175 WeakPolarHBondContact O-CG 3.34Å; K171-E175 PolarHBondContact O-N 2.73Å
172S95.3Very high93.3Very high63 Ų6370.9 Ų70.944%0.44138%0.376SS..Hα-helixtrans-62.4-37.7176.9-630000113V168 Q169 L170 E175 L176V168-S172 PolarHBondContact O-N 3.35Å; V168-S172 VanDerWaalsContact O-N 3.08Å; V168-S172 PolarHBondContact O-OG 2.78Å; Q169-S172 PolarHBondContact O-N 3.47Å; L170-S172 VanDerWaalsContact C-N 3.32Å; L170-S172 PolarHBondContact O-N 3.24Å; S172-E175 PolarHBondContact O-N 2.92Å; S172-L176 WeakPolarHBondContact O-CB 3.41Å; S172-L176 PolarHBondContact O-N 2.89Å
173L95.7Very high93Very high33 Ų3374.1 Ų74.117%0.17339%0.392CS..Hα-helixtrans-67.2-40.1176-68.3171.1000112I56 V165 Q169 L170 K171 L176 S177 I184 F186I56-L173 HydrophobicContact CD1-CD1 3.93Å; V165-L173 HydrophobicContact CG1-CD1 3.83Å; Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.37Å; L170-L173 PolarHBondContact O-N 2.97Å; L170-L173 VanDerWaalsContact O-N 3.12Å; K171-L173 VanDerWaalsContact C-N 3.33Å; K171-L173 PolarHBondContact O-N 2.6Å; L173-L176 PolarHBondContact O-N 2.91Å; L173-S177 PolarHBondContact O-N 3.37Å; L173-I184 HydrophobicContact CB-CD1 4.23Å; L173-I184 HydrophobicContact CD2-CD1 3.8Å; L173-I184 HydrophobicContact CG-CD1 4.47Å; L173-F186 HydrophobicContact CB-CE2 4.2Å; L173-F186 HydrophobicContact CB-CZ 3.88Å
174L94.5Very high92.9Very high15 Ų1571 Ų718%0.07938%0.378CS..Hα-helixtrans-66.1-36.6176.2-70.1167.7000112.4L170 K171 S177 Q178 F186 R191 A194L170-L174 HydrophobicContact CD1-CD1 4.35Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CD2-CD1 4.26Å; L170-L174 HydrophobicContact CG-CD1 3.87Å; L170-L174 HydrophobicContact CG-CG 4.2Å; L170-L174 WeakPolarHBondContact O-CG 3.48Å; L170-L174 PolarHBondContact O-N 3.29Å; K171-L174 PolarHBondContact O-N 2.99Å; L174-S177 PolarHBondContact O-OG 3.11Å; L174-Q178 WeakPolarHBondContact O-CG 3.46Å; L174-Q178 PolarHBondContact O-N 2.79Å; L174-F186 HydrophobicContact CD2-CD2 3.76Å; L174-F186 HydrophobicContact CD2-CE2 3.87Å; L174-F186 HydrophobicContact CD2-CG 4.21Å; L174-F186 HydrophobicContact CD2-CZ 4.39Å; L174-F186 HydrophobicContact CG-CE2 4.35Å; L174-R191 PolarHBondContact O-NH1 3.5Å; L174-A194 HydrophobicContact CD1-CB 3.88Å; L174-A194 HydrophobicContact CD2-CB 4.22Å
175E94.3Very high92.7Very high101 Ų10169.5 Ų69.547%0.47237%0.374SS..Hα-helixtrans-67.9-42.7173.1-72.2169.2176.700110.9K171 S172 S177 Q178 G179K171-E175 WeakPolarHBondContact CE-OE1 3.27Å; K171-E175 WeakPolarHBondContact O-CG 3.34Å; K171-E175 PolarHBondContact O-N 2.73Å; S172-E175 PolarHBondContact O-N 2.92Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 2.81Å; E175-Q178 PolarHBondContact O-N 2.79Å; E175-G179 PolarHBondContact O-N 2.73Å
176L93.5Very high92.7Very high78 Ų7870.5 Ų70.541%0.40838%0.379SS..Hα-helixtrans-61.2-39.8176.2-175.762.3000111.9S172 L173 Q178 G179 N180 L183 I184S172-L176 WeakPolarHBondContact O-CB 3.41Å; S172-L176 PolarHBondContact O-N 2.89Å; L173-L176 PolarHBondContact O-N 2.91Å; L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 PolarHBondContact O-N 3.21Å; L176-G179 PolarHBondContact O-N 3.42Å; L176-N180 PolarHBondContact O-N 3.19Å; L176-L183 HydrophobicContact CD1-CD2 4.01Å; L176-L183 HydrophobicContact CD2-CD2 3.88Å; L176-L183 HydrophobicContact CG-CD2 4.13Å; L176-I184 HydrophobicContact CB-CG2 4.12Å; L176-I184 HydrophobicContact CD2-CG2 3.93Å; L176-I184 HydrophobicContact CG-CG2 3.81Å
177S93.4Very high92.6Very high7 Ų769.2 Ų69.25%0.04937%0.37CS..Hα-helixtrans-64.4-36.1179.182.50000112.3L173 L174 E175 G179 N180 E181 I184 R191L173-S177 PolarHBondContact O-N 3.37Å; L174-S177 PolarHBondContact O-OG 3.11Å; E175-S177 VanDerWaalsContact C-N 3.31Å; E175-S177 PolarHBondContact O-N 2.81Å; S177-G179 VanDerWaalsContact C-N 3.33Å; S177-N180 CarbonylContact O-C 3.6Å; S177-E181 WeakPolarHBondContact O-CG 3.47Å; S177-E181 PolarHBondContact O-N 3.23Å; S177-I184 VanDerWaalsContact CA-O 3.25Å; S177-I184 WeakPolarHBondContact CA-O 3.31Å; S177-I184 WeakPolarHBondContact CB-O 3.37Å; S177-R191 PolarHBondContact OG-NH1 2.76Å
178Q90Very high92.6Very high132 Ų13267.8 Ų67.862%0.61736%0.36SS*.Hα-helixtrans-66.7-35.1175.3-70.1177.6-15.900112.2L174 E175 L176L174-Q178 WeakPolarHBondContact O-CG 3.46Å; L174-Q178 PolarHBondContact O-N 2.79Å; E175-Q178 PolarHBondContact O-N 2.79Å; L176-Q178 VanDerWaalsContact C-N 3.31Å; L176-Q178 PolarHBondContact O-N 3.21Å
179G90.1Very high92.6Very high72 Ų7262.9 Ų62.974%0.74233%0.33SS*.Hα-helixtrans-77.3-30.317900000113.8E175 L176 S177E175-G179 PolarHBondContact O-N 2.73Å; L176-G179 PolarHBondContact O-N 3.42Å; S177-G179 VanDerWaalsContact C-N 3.33Å
180N88.5Confident92.5Very high77 Ų7758.8 Ų58.841%0.41231%0.311SS..  trans-15985.1-178.2-169.8-6.2000113L176 S177 K182 L183 I184L176-N180 PolarHBondContact O-N 3.19Å; S177-N180 CarbonylContact O-C 3.6Å; N180-K182 PolarHBondContact O-N 2.88Å; N180-K182 VanDerWaalsContact O-N 3.08Å; N180-K182 WeakPolarHBondContact OD1-CB 3.14Å; N180-K182 PolarHBondContact OD1-N 3.47Å; N180-L183 HydrophobicContact CB-CB 4.3Å; N180-L183 WeakPolarHBondContact O-CB 3.41Å; N180-L183 PolarHBondContact O-N 3.49Å; N180-I184 PolarHBondContact O-N 2.82Å
181E83.5Confident92.4Very high141 Ų14160.5 Ų60.566%0.65932%0.317SS*.THydrogen-bonded Turntrans-59.6-22.4179.4-65.5-178.2169.600114S177 L183 I184S177-E181 WeakPolarHBondContact O-CG 3.47Å; S177-E181 PolarHBondContact O-N 3.23Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 3.18Å; E181-I184 WeakPolarHBondContact CA-O 3.5Å; E181-I184 CarbonylContact O-C 3.54Å
182K84.7Confident92.3Very high181 Ų18155.7 Ų55.779%0.78730%0.297SS*.THydrogen-bonded Turntrans-70.5-26.9175.9-64.2-175.7179.5-179.70112.3N71 N180N71-K182 PolarHBondContact ND2-O 3.26Å; N180-K182 PolarHBondContact O-N 2.88Å; N180-K182 VanDerWaalsContact O-N 3.08Å; N180-K182 WeakPolarHBondContact OD1-CB 3.14Å; N180-K182 PolarHBondContact OD1-N 3.47Å
183L88.8Confident92.3Very high101 Ų10152.8 Ų52.853%0.52928%0.277SS..THydrogen-bonded Turntrans-82.5-47.6178.7-178.763.6000110.7L176 N180 E181L176-L183 HydrophobicContact CD1-CD2 4.01Å; L176-L183 HydrophobicContact CD2-CD2 3.88Å; L176-L183 HydrophobicContact CG-CD2 4.13Å; N180-L183 HydrophobicContact CB-CB 4.3Å; N180-L183 WeakPolarHBondContact O-CB 3.41Å; N180-L183 PolarHBondContact O-N 3.49Å; E181-L183 VanDerWaalsContact C-N 3.28Å; E181-L183 PolarHBondContact O-N 3.18Å
184I92.4Very high92.1Very high10 Ų1051.5 Ų51.55%0.05127%0.271CS..  trans-148.8132.4175.9-171.3171.1000108.5W73 L173 L176 S177 N180 E181 F186W73-I184 HydrophobicContact CG-CD1 4.32Å; W73-I184 HydrophobicContact CG-CG1 4.31Å; L173-I184 HydrophobicContact CB-CD1 4.23Å; L173-I184 HydrophobicContact CD2-CD1 3.8Å; L173-I184 HydrophobicContact CG-CD1 4.47Å; L176-I184 HydrophobicContact CB-CG2 4.12Å; L176-I184 HydrophobicContact CD2-CG2 3.93Å; L176-I184 HydrophobicContact CG-CG2 3.81Å; S177-I184 VanDerWaalsContact CA-O 3.25Å; S177-I184 WeakPolarHBondContact CA-O 3.31Å; S177-I184 WeakPolarHBondContact CB-O 3.37Å; N180-I184 PolarHBondContact O-N 2.82Å; E181-I184 WeakPolarHBondContact CA-O 3.5Å; E181-I184 CarbonylContact O-C 3.54Å; I184-F186 HydrophobicContact CD1-CE2 4.09Å; I184-F186 HydrophobicContact CD1-CZ 3.96Å; I184-F186 HydrophobicContact CG1-CE2 4.28Å; I184-F186 HydrophobicContact CG1-CZ 4.48Å
185S94.4Very high91.9Very high19 Ų1955 Ų5513%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-126.9163170.1640000109.1S70 N71 V72 W73S70-S185 PolarHBondContact O-OG 3.46Å; N71-S185 PolarHBondContact O-N 3.26Å; N71-S185 VanDerWaalsContact O-O 3.1Å; N71-S185 PolarHBondContact O-OG 3.09Å; V72-S185 WeakPolarHBondContact CA-OG 3.48Å; V72-S185 WeakPolarHBondContact CG2-OG 3.38Å; V72-S185 PolarHBondContact N-OG 3.32Å; W73-S185 PolarHBondContact N-O 3.09Å
186F95.4Very high91.6Very high21 Ų2155.3 Ų55.39%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-122.2147.3174.8-73.4-81.3000109.9W73 L170 L173 L174 I184 F190W73-F186 HydrophobicContact CB-CD1 3.65Å; W73-F186 HydrophobicContact CB-CE1 3.57Å; W73-F186 HydrophobicContact CB-CZ 4.38Å; W73-F186 CarbonylContact O-C 3.54Å; W73-F186 VanDerWaalsContact O-CA 3.26Å; W73-F186 WeakPolarHBondContact O-CA 3.42Å; L170-F186 HydrophobicContact CD1-CE1 4.39Å; L170-F186 HydrophobicContact CD1-CZ 4.29Å; L173-F186 HydrophobicContact CB-CE2 4.2Å; L173-F186 HydrophobicContact CB-CZ 3.88Å; L174-F186 HydrophobicContact CD2-CD2 3.76Å; L174-F186 HydrophobicContact CD2-CE2 3.87Å; L174-F186 HydrophobicContact CD2-CG 4.21Å; L174-F186 HydrophobicContact CD2-CZ 4.39Å; L174-F186 HydrophobicContact CG-CE2 4.35Å; I184-F186 HydrophobicContact CD1-CE2 4.09Å; I184-F186 HydrophobicContact CD1-CZ 3.96Å; I184-F186 HydrophobicContact CG1-CE2 4.28Å; I184-F186 HydrophobicContact CG1-CZ 4.48Å; F186-F190 HydrophobicContact CB-CD1 4.03Å; F186-F190 AromaticContact CD1-CD1 3.31Å; F186-F190 HydrophobicContact CD1-CD1 3.31Å; F186-F190 AromaticContact CD1-CE1 3.37Å; F186-F190 HydrophobicContact CD1-CE1 3.37Å; F186-F190 AromaticContact CE1-CD1 4Å; F186-F190 HydrophobicContact CE1-CD1 4Å; F186-F190 AromaticContact CE1-CE1 3.54Å; F186-F190 HydrophobicContact CE1-CE1 3.54Å; F186-F190 AromaticContact CG-CD1 3.9Å; F186-F190 HydrophobicContact CG-CD1 3.9Å; F186-F190 HydrophobicContact CG-CE1 4.16Å; F186-F190 HydrophobicContact CZ-CE1 4.45Å
187S95Very high91.3Very high0 Ų052.9 Ų52.90%028%0.277CS..  trans-57.3143.4172.453.40000111.3W73 S74 W189 F190 R191W73-S187 PolarHBondContact O-N 3.43Å; S74-S187 WeakPolarHBondContact CB-OG 3.32Å; S74-S187 PolarHBondContact OG-OG 2.92Å; S187-W189 VanDerWaalsContact CB-CZ3 3.45Å; S187-W189 PolarHBondContact O-N 2.95Å; S187-W189 VanDerWaalsContact OG-CZ2 3.31Å; S187-W189 WeakPolarHBondContact OG-CZ2 3.44Å; S187-W189 PolarHBondContact OG-NE1 3.49Å; S187-F190 PolarHBondContact O-N 3.19Å; S187-F190 VanDerWaalsContact O-N 3.14Å; S187-F190 WeakPolarHBondContact OG-CB 3.29Å; S187-R191 PolarHBondContact O-N 3.24Å
188P93.3Very high91.1Very high39 Ų3952.7 Ų52.725%0.25328%0.275SS..Hα-helixtrans-55.1-45.2-175.2-28.436.2000114.1F66 A129 F190 R191 L192F66-P188 HydrophobicContact CD1-CG 4.3Å; F66-P188 HydrophobicContact CE1-CG 3.65Å; F66-P188 HydrophobicContact CZ-CG 3.83Å; A129-P188 HydrophobicContact CB-CB 3.74Å; A129-P188 HydrophobicContact CB-CG 3.94Å; P188-F190 PolarHBondContact O-N 2.9Å; P188-R191 WeakPolarHBondContact O-CB 3.46Å; P188-R191 PolarHBondContact O-N 3.26Å; P188-L192 WeakPolarHBondContact O-CG 3.32Å; P188-L192 PolarHBondContact O-N 2.97Å
189W94.2Very high91Very high5 Ų549.9 Ų49.92%0.01927%0.268CS..Hα-helixtrans-60.7-47.3178.363.194000111.7F66 S74 N75 C78 Y127 E137 S187 R191 L192 I193F66-W189 HydrophobicContact CD2-CH2 4.19Å; F66-W189 AromaticContact CD2-CZ3 3.63Å; F66-W189 HydrophobicContact CD2-CZ3 3.63Å; F66-W189 AromaticContact CE2-CZ3 3.95Å; F66-W189 HydrophobicContact CE2-CZ3 3.95Å; F66-W189 HydrophobicContact CG-CZ3 4.3Å; S74-W189 VanDerWaalsContact OG-CZ2 3.29Å; S74-W189 WeakPolarHBondContact OG-CZ2 3.15Å; S74-W189 PolarHBondContact OG-NE1 2.91Å; N75-W189 PolarHBondContact OD1-NE1 3.22Å; C78-W189 HydrophobicContact CB-CZ2 4.27Å; C78-W189 PolarHBondContact SG-NE1 3.37Å; Y127-W189 HydrophobicContact CD1-CB 4.38Å; Y127-W189 HydrophobicContact CD2-CB 4.27Å; Y127-W189 HydrophobicContact CE1-CB 3.95Å; Y127-W189 HydrophobicContact CE2-CB 3.85Å; Y127-W189 HydrophobicContact CE2-CE3 4.38Å; E137-W189 WeakPolarHBondContact OE2-CZ3 3.26Å; S187-W189 VanDerWaalsContact CB-CZ3 3.45Å; S187-W189 PolarHBondContact O-N 2.95Å; S187-W189 VanDerWaalsContact OG-CZ2 3.31Å; S187-W189 WeakPolarHBondContact OG-CZ2 3.44Å; S187-W189 PolarHBondContact OG-NE1 3.49Å; W189-R191 VanDerWaalsContact C-N 3.28Å; W189-R191 PolarHBondContact O-N 3.27Å; W189-L192 WeakPolarHBondContact O-CB 3.47Å; W189-L192 PolarHBondContact O-N 3.05Å; W189-I193 WeakPolarHBondContact O-CD1 3.42Å; W189-I193 VanDerWaalsContact O-CG1 3.28Å; W189-I193 WeakPolarHBondContact O-CG1 3.47Å; W189-I193 PolarHBondContact O-N 3.45Å
190F96Very high90.8Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-61.4-39.3178-177.7-108000111.6F46 M54 I56 N75 L170 F186 S187 P188 I193 A194 L198F46-F190 AromaticContact CE1-CD2 3.99Å; F46-F190 HydrophobicContact CE1-CD2 3.99Å; F46-F190 AromaticContact CE1-CE2 3.85Å; F46-F190 HydrophobicContact CE1-CE2 3.85Å; F46-F190 HydrophobicContact CZ-CD2 4.31Å; M54-F190 HydrophobicContact CE-CE2 3.65Å; M54-F190 HydrophobicContact CE-CZ 3.55Å; I56-F190 HydrophobicContact CG2-CZ 4.14Å; N75-F190 HydrophobicContact CB-CD2 3.57Å; N75-F190 HydrophobicContact CB-CE2 3.78Å; L170-F190 HydrophobicContact CD1-CE1 3.9Å; L170-F190 HydrophobicContact CD1-CZ 3.8Å; L170-F190 HydrophobicContact CD2-CZ 3.99Å; F186-F190 HydrophobicContact CB-CD1 4.03Å; F186-F190 AromaticContact CD1-CD1 3.31Å; F186-F190 HydrophobicContact CD1-CD1 3.31Å; F186-F190 AromaticContact CD1-CE1 3.37Å; F186-F190 HydrophobicContact CD1-CE1 3.37Å; F186-F190 AromaticContact CE1-CD1 4Å; F186-F190 HydrophobicContact CE1-CD1 4Å; F186-F190 AromaticContact CE1-CE1 3.54Å; F186-F190 HydrophobicContact CE1-CE1 3.54Å; F186-F190 AromaticContact CG-CD1 3.9Å; F186-F190 HydrophobicContact CG-CD1 3.9Å; F186-F190 HydrophobicContact CG-CE1 4.16Å; F186-F190 HydrophobicContact CZ-CE1 4.45Å; S187-F190 PolarHBondContact O-N 3.19Å; S187-F190 VanDerWaalsContact O-N 3.14Å; S187-F190 WeakPolarHBondContact OG-CB 3.29Å; P188-F190 PolarHBondContact O-N 2.9Å; F190-I193 PolarHBondContact O-N 2.91Å; F190-A194 HydrophobicContact CE1-CB 4.4Å; F190-A194 WeakPolarHBondContact O-CB 3.46Å; F190-A194 PolarHBondContact O-N 3.01Å; F190-L198 HydrophobicContact CE2-CD2 4.45Å
191R94.1Very high90.7Very high43 Ų4346.2 Ų46.216%0.16224%0.235CC..Hα-helixtrans-61.9-48176.1-173.171-161.4-15918.7111.5L174 S177 S187 P188 W189 I193 A194 D195L174-R191 PolarHBondContact O-NH1 3.5Å; S177-R191 PolarHBondContact OG-NH1 2.76Å; S187-R191 PolarHBondContact O-N 3.24Å; P188-R191 WeakPolarHBondContact O-CB 3.46Å; P188-R191 PolarHBondContact O-N 3.26Å; W189-R191 VanDerWaalsContact C-N 3.28Å; W189-R191 PolarHBondContact O-N 3.27Å; R191-I193 VanDerWaalsContact C-N 3.32Å; R191-I193 PolarHBondContact O-N 3.4Å; R191-A194 PolarHBondContact O-N 2.85Å; R191-D195 IonicContact CZ-OD1 2.91Å; R191-D195 IonicContact CZ-OD2 3.11Å; R191-D195 IonicContact NE-OD1 3.72Å; R191-D195 PolarHBondContact NE-OD1 3.2Å; R191-D195 IonicContact NE-OD2 3.23Å; R191-D195 PolarHBondContact NE-OD2 2.8Å; R191-D195 IonicContact NH2-OD1 3.54Å; R191-D195 PolarHBondContact NH2-OD1 2.85Å; R191-D195 VanDerWaalsContact NH2-OD1 3.11Å; R191-D195 IonicContact NH2-OD2 3.47Å; R191-D195 PolarHBondContact NH2-OD2 2.92Å; R191-D195 WeakPolarHBondContact O-CB 3.16Å; R191-D195 PolarHBondContact O-N 2.85Å
192L92.3Very high90.9Very high32 Ų3240.6 Ų40.617%0.16821%0.208CC..Hα-helixtrans-58.1-44.6177.2-70.6167.6000111.5P188 W189 K196 L220P188-L192 WeakPolarHBondContact O-CG 3.32Å; P188-L192 PolarHBondContact O-N 2.97Å; W189-L192 WeakPolarHBondContact O-CB 3.47Å; W189-L192 PolarHBondContact O-N 3.05Å; L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 PolarHBondContact O-N 3.12Å; L192-L220 HydrophobicContact CB-CB 4.29Å; L192-L220 HydrophobicContact CB-CD1 3.83Å; L192-L220 HydrophobicContact CD1-CB 4.04Å; L192-L220 HydrophobicContact CD2-CB 4.41Å; L192-L220 HydrophobicContact CG-CB 4.49Å
193I93.3Very high90.9Very high2 Ų240.1 Ų40.11%0.0121%0.209CC..Hα-helixtrans-67.7-46.3178.5-66.1162.3000111F46 I125 I143 W189 F190 R191 D195 K196 L197 L198 W201F46-I193 HydrophobicContact CE1-CG2 4Å; F46-I193 HydrophobicContact CE2-CD1 4.25Å; F46-I193 HydrophobicContact CE2-CG2 4.42Å; F46-I193 HydrophobicContact CZ-CB 4.29Å; F46-I193 HydrophobicContact CZ-CD1 3.86Å; F46-I193 HydrophobicContact CZ-CG2 3.59Å; I125-I193 HydrophobicContact CD1-CD1 3.97Å; I125-I193 HydrophobicContact CD1-CG1 3.51Å; I143-I193 HydrophobicContact CD1-CD1 3.69Å; W189-I193 WeakPolarHBondContact O-CD1 3.42Å; W189-I193 VanDerWaalsContact O-CG1 3.28Å; W189-I193 WeakPolarHBondContact O-CG1 3.47Å; W189-I193 PolarHBondContact O-N 3.45Å; F190-I193 PolarHBondContact O-N 2.91Å; R191-I193 VanDerWaalsContact C-N 3.32Å; R191-I193 PolarHBondContact O-N 3.4Å; I193-D195 PolarHBondContact O-N 3.31Å; I193-K196 PolarHBondContact O-N 3.46Å; I193-L197 PolarHBondContact O-N 3.32Å; I193-L198 HydrophobicContact CG2-CB 4.25Å; I193-L198 WeakPolarHBondContact O-CB 3.34Å; I193-L198 PolarHBondContact O-N 3.44Å; I193-W201 HydrophobicContact CG2-CE3 4.37Å; I193-W201 HydrophobicContact CG2-CZ3 3.73Å
194A93.5Very high90.7Very high6 Ų641.9 Ų41.95%0.0521%0.208CC..Hα-helixtrans-63.9-38.6-177.300000112.7L174 F190 R191 L198 P199L174-A194 HydrophobicContact CD1-CB 3.88Å; L174-A194 HydrophobicContact CD2-CB 4.22Å; F190-A194 HydrophobicContact CE1-CB 4.4Å; F190-A194 WeakPolarHBondContact O-CB 3.46Å; F190-A194 PolarHBondContact O-N 3.01Å; R191-A194 PolarHBondContact O-N 2.85Å; A194-L198 HydrophobicContact CB-CD2 4.37Å; A194-P199 VanDerWaalsContact O-CD 3.28Å; A194-P199 WeakPolarHBondContact O-CD 3.35Å
195D89.3Confident90.2Very high88 Ų8842.3 Ų42.347%0.47121%0.21SC..Hα-helixtrans-78.4-34.1-179.6-71-26000112.3R191 I193R191-D195 IonicContact CZ-OD1 2.91Å; R191-D195 IonicContact CZ-OD2 3.11Å; R191-D195 IonicContact NE-OD1 3.72Å; R191-D195 PolarHBondContact NE-OD1 3.2Å; R191-D195 IonicContact NE-OD2 3.23Å; R191-D195 PolarHBondContact NE-OD2 2.8Å; R191-D195 IonicContact NH2-OD1 3.54Å; R191-D195 PolarHBondContact NH2-OD1 2.85Å; R191-D195 VanDerWaalsContact NH2-OD1 3.11Å; R191-D195 IonicContact NH2-OD2 3.47Å; R191-D195 PolarHBondContact NH2-OD2 2.92Å; R191-D195 WeakPolarHBondContact O-CB 3.16Å; R191-D195 PolarHBondContact O-N 2.85Å; I193-D195 PolarHBondContact O-N 3.31Å
196K87.5Confident89.5Confident107 Ų10746.2 Ų46.247%0.46524%0.244SC..Hα-helixtrans-104.4-37.1-169.3-63.7177179.2176.60115L192 I193 L220 T221L192-K196 WeakPolarHBondContact O-CB 3.43Å; L192-K196 PolarHBondContact O-N 3.12Å; I193-K196 PolarHBondContact O-N 3.46Å; K196-L220 HydrophobicContact CD-CD2 3.66Å; K196-T221 PolarHBondContact NZ-O 3.41Å
197L87.8Confident88.9Confident27 Ų2749.3 Ų49.314%0.14126%0.261CS..THydrogen-bonded Turntrans-121.8-44.1-164.1-59.9175.1000112.9I125 I193 P199 S200 W201 L220I125-L197 HydrophobicContact CD1-CD1 3.56Å; I125-L197 HydrophobicContact CG1-CD1 4.18Å; I193-L197 PolarHBondContact O-N 3.32Å; L197-P199 VanDerWaalsContact C-CD 3.42Å; L197-S200 PolarHBondContact O-N 3.41Å; L197-S200 VanDerWaalsContact O-N 3.16Å; L197-S200 PolarHBondContact O-OG 3.06Å; L197-W201 HydrophobicContact CB-CD2 4.09Å; L197-W201 HydrophobicContact CB-CE3 3.96Å; L197-W201 HydrophobicContact CB-CH2 3.59Å; L197-W201 HydrophobicContact CB-CZ2 3.71Å; L197-W201 HydrophobicContact CB-CZ3 3.69Å; L197-W201 HydrophobicContact CD1-CH2 3.46Å; L197-W201 VanDerWaalsContact CD1-CH2 3.46Å; L197-W201 HydrophobicContact CD1-CZ2 3.79Å; L197-W201 HydrophobicContact CD1-CZ3 4.23Å; L197-W201 HydrophobicContact CD2-CZ2 4.39Å; L197-W201 HydrophobicContact CG-CH2 4.1Å; L197-W201 HydrophobicContact CG-CZ2 4.17Å; L197-W201 PolarHBondContact O-N 3.02Å; L197-L220 HydrophobicContact CD1-CD1 4.14Å
198L88.7Confident87.9Confident3 Ų350.1 Ų50.12%0.01627%0.266CS..Hα-helixtrans-56.6-39.8-172.1-169.161.4000114.3F46 F48 M54 F145 L170 F190 I193 A194 S200 W201 W202F46-L198 HydrophobicContact CD1-CD1 3.9Å; F46-L198 HydrophobicContact CE1-CD1 4.05Å; F46-L198 HydrophobicContact CE1-CD2 4.39Å; F48-L198 HydrophobicContact CZ-CD1 4.4Å; M54-L198 HydrophobicContact CE-CD2 4.02Å; M54-L198 HydrophobicContact SD-CD1 4.39Å; M54-L198 HydrophobicContact SD-CD2 4.06Å; F145-L198 HydrophobicContact CZ-CD1 4.24Å; L170-L198 HydrophobicContact CD2-CD2 3.65Å; F190-L198 HydrophobicContact CE2-CD2 4.45Å; I193-L198 HydrophobicContact CG2-CB 4.25Å; I193-L198 WeakPolarHBondContact O-CB 3.34Å; I193-L198 PolarHBondContact O-N 3.44Å; A194-L198 HydrophobicContact CB-CD2 4.37Å; L198-S200 VanDerWaalsContact C-N 3.29Å; L198-S200 PolarHBondContact O-N 2.92Å; L198-W201 PolarHBondContact O-N 3.42Å; L198-W201 VanDerWaalsContact O-N 3.14Å; L198-W202 HydrophobicContact CD1-CE3 4.37Å; L198-W202 HydrophobicContact CD2-CE3 3.98Å; L198-W202 HydrophobicContact CD2-CZ3 3.99Å; L198-W202 HydrophobicContact CG-CE3 3.9Å; L198-W202 HydrophobicContact CG-CZ3 4.43Å; L198-W202 WeakPolarHBondContact O-CB 3.39Å; L198-W202 PolarHBondContact O-N 2.88Å
199P87.7Confident86.9Confident73 Ų7352.8 Ų52.847%0.47429%0.285SS..Hα-helixtrans-57.9-43.2179.5-25.736000112.1A194 L197 W201 E203A194-P199 VanDerWaalsContact O-CD 3.28Å; A194-P199 WeakPolarHBondContact O-CD 3.35Å; L197-P199 VanDerWaalsContact C-CD 3.42Å; P199-W201 VanDerWaalsContact C-N 3.35Å; P199-W201 PolarHBondContact O-N 2.97Å; P199-E203 PolarHBondContact O-N 2.84Å
200S85.9Confident85.8Confident58 Ų5855.3 Ų55.341%0.40631%0.307SS..Hα-helixtrans-68.4-34.6178.7760000112.9L197 L198L197-S200 PolarHBondContact O-N 3.41Å; L197-S200 VanDerWaalsContact O-N 3.16Å; L197-S200 PolarHBondContact O-OG 3.06Å; L198-S200 VanDerWaalsContact C-N 3.29Å; L198-S200 PolarHBondContact O-N 2.92Å
201W86.9Confident84.7Confident15 Ų1556.1 Ų56.16%0.05731%0.311CS..Hα-helixtrans-75.1-40.2-179.7-66.4-15000112.2I125 I143 F145 I193 L197 L198 P199 E203 R204 I205 L211I125-W201 HydrophobicContact CD1-CH2 4.48Å; I143-W201 HydrophobicContact CB-CH2 4.18Å; I143-W201 HydrophobicContact CB-CZ3 4.36Å; I143-W201 HydrophobicContact CG1-CH2 3.97Å; I143-W201 HydrophobicContact CG1-CZ3 4.33Å; I143-W201 HydrophobicContact CG2-CE3 4.36Å; I143-W201 HydrophobicContact CG2-CH2 3.93Å; I143-W201 HydrophobicContact CG2-CZ3 3.61Å; F145-W201 AromaticContact CE1-CE3 3.96Å; F145-W201 HydrophobicContact CE1-CE3 3.96Å; F145-W201 HydrophobicContact CE2-CB 3.73Å; F145-W201 HydrophobicContact CE2-CG 4.48Å; F145-W201 HydrophobicContact CZ-CB 3.58Å; F145-W201 HydrophobicContact CZ-CD2 4.06Å; F145-W201 AromaticContact CZ-CE3 3.7Å; F145-W201 HydrophobicContact CZ-CE3 3.7Å; F145-W201 HydrophobicContact CZ-CG 4.1Å; I193-W201 HydrophobicContact CG2-CE3 4.37Å; I193-W201 HydrophobicContact CG2-CZ3 3.73Å; L197-W201 HydrophobicContact CB-CD2 4.09Å; L197-W201 HydrophobicContact CB-CE3 3.96Å; L197-W201 HydrophobicContact CB-CH2 3.59Å; L197-W201 HydrophobicContact CB-CZ2 3.71Å; L197-W201 HydrophobicContact CB-CZ3 3.69Å; L197-W201 HydrophobicContact CD1-CH2 3.46Å; L197-W201 VanDerWaalsContact CD1-CH2 3.46Å; L197-W201 HydrophobicContact CD1-CZ2 3.79Å; L197-W201 HydrophobicContact CD1-CZ3 4.23Å; L197-W201 HydrophobicContact CD2-CZ2 4.39Å; L197-W201 HydrophobicContact CG-CH2 4.1Å; L197-W201 HydrophobicContact CG-CZ2 4.17Å; L197-W201 PolarHBondContact O-N 3.02Å; L198-W201 PolarHBondContact O-N 3.42Å; L198-W201 VanDerWaalsContact O-N 3.14Å; P199-W201 VanDerWaalsContact C-N 3.35Å; P199-W201 PolarHBondContact O-N 2.97Å; W201-E203 VanDerWaalsContact C-N 3.35Å; W201-E203 PolarHBondContact O-N 3.07Å; W201-R204 CarbonylContact O-C 3.53Å; W201-R204 PolarHBondContact O-N 3.11Å; W201-R204 VanDerWaalsContact O-N 3.09Å; W201-I205 PolarHBondContact O-N 2.98Å; W201-L211 HydrophobicContact CB-CD1 3.99Å; W201-L211 HydrophobicContact CG-CD1 4.33Å; W201-L211 HydrophobicContact CG-CD2 4.45Å; W201-L211 WeakPolarHBondContact O-CD1 2.92Å
202W87.3Confident84.2Confident23 Ų2360.1 Ų60.19%0.08733%0.33CS..Hα-helixtrans-64-39.8-177.2-151-32.9000111.9F48 G52 M54 V165 P167 L170 L198 R204 I205F48-W202 AromaticContact CD1-CE2 3.99Å; F48-W202 HydrophobicContact CD1-CZ2 4.27Å; F48-W202 AromaticContact CD1-NE1 3.81Å; F48-W202 AromaticContact CE1-CD1 3.97Å; F48-W202 AromaticContact CE1-CD2 3.84Å; F48-W202 HydrophobicContact CE1-CD2 3.84Å; F48-W202 AromaticContact CE1-CE2 3.58Å; F48-W202 HydrophobicContact CE1-CE3 4.46Å; F48-W202 HydrophobicContact CE1-CG 4.09Å; F48-W202 HydrophobicContact CE1-CZ2 4.02Å; F48-W202 AromaticContact CE1-NE1 3.65Å; G52-W202 PolarHBondContact O-NE1 2.66Å; M54-W202 HydrophobicContact CB-CH2 3.44Å; M54-W202 VanDerWaalsContact CB-CH2 3.44Å; M54-W202 HydrophobicContact CB-CZ2 3.53Å; M54-W202 HydrophobicContact CB-CZ3 4.24Å; M54-W202 HydrophobicContact CE-CH2 4.17Å; M54-W202 HydrophobicContact CE-CZ3 4.09Å; M54-W202 HydrophobicContact CG-CH2 4.49Å; M54-W202 HydrophobicContact SD-CH2 4.34Å; M54-W202 HydrophobicContact SD-CZ3 4.26Å; V165-W202 HydrophobicContact CG2-CH2 4.46Å; V165-W202 WeakPolarHBondContact O-CH2 3.47Å; V165-W202 WeakPolarHBondContact O-CZ2 3.16Å; P167-W202 HydrophobicContact CB-CD2 4.47Å; P167-W202 HydrophobicContact CG-CD2 3.86Å; P167-W202 HydrophobicContact CG-CE3 4.37Å; P167-W202 HydrophobicContact CG-CG 4.18Å; P167-W202 HydrophobicContact CG-CH2 4.47Å; P167-W202 HydrophobicContact CG-CZ2 3.96Å; L170-W202 HydrophobicContact CB-CH2 4.38Å; L170-W202 HydrophobicContact CB-CZ3 4.23Å; L170-W202 HydrophobicContact CD2-CH2 4.36Å; L170-W202 HydrophobicContact CD2-CZ3 3.6Å; L198-W202 HydrophobicContact CD1-CE3 4.37Å; L198-W202 HydrophobicContact CD2-CE3 3.98Å; L198-W202 HydrophobicContact CD2-CZ3 3.99Å; L198-W202 HydrophobicContact CG-CE3 3.9Å; L198-W202 HydrophobicContact CG-CZ3 4.43Å; L198-W202 WeakPolarHBondContact O-CB 3.39Å; L198-W202 PolarHBondContact O-N 2.88Å; W202-R204 PolarHBondContact O-N 2.89Å; W202-R204 VanDerWaalsContact O-N 3.11Å; W202-I205 PolarHBondContact O-N 2.93Å
203E85.4Confident84Confident171 Ų17160.9 Ų60.980%0.79933%0.334SS*.THydrogen-bonded Turntrans-60.5-21.5175.7-71.6-177.9175.500113.7P199 W201P199-E203 PolarHBondContact O-N 2.84Å; W201-E203 VanDerWaalsContact C-N 3.35Å; W201-E203 PolarHBondContact O-N 3.07Å
204R83.6Confident83.9Confident137 Ų13761.6 Ų61.652%0.51734%0.338SS..THydrogen-bonded Turntrans-115.215-174.2-59-177.8-174.5-1693.9113.2W201 W202 A206 D207 L211W201-R204 CarbonylContact O-C 3.53Å; W201-R204 PolarHBondContact O-N 3.11Å; W201-R204 VanDerWaalsContact O-N 3.09Å; W202-R204 PolarHBondContact O-N 2.89Å; W202-R204 VanDerWaalsContact O-N 3.11Å; R204-A206 PolarHBondContact O-N 3.02Å; R204-A206 VanDerWaalsContact O-N 3.12Å; R204-D207 CarbonylContact O-C 3.47Å; R204-D207 PolarHBondContact O-N 3.17Å; R204-L211 HydrophobicContact CB-CD1 4.08Å; R204-L211 HydrophobicContact CB-CD2 3.79Å; R204-L211 HydrophobicContact CB-CG 3.95Å; R204-L211 HydrophobicContact CG-CD2 4.27Å
205I83.3Confident83.8Confident19 Ų1970.1 Ų70.110%0.09738%0.376CS..G310 helixtrans-59.4-29.6-175.3-164178.6000113.6F48 Q147 W201 W202 D207 M208F48-I205 HydrophobicContact CB-CD1 3.28Å; F48-I205 HydrophobicContact CD1-CD1 3.42Å; F48-I205 VanDerWaalsContact CD1-CD1 3.42Å; F48-I205 HydrophobicContact CD2-CD1 3.12Å; F48-I205 HydrophobicContact CD2-CG1 4.25Å; F48-I205 HydrophobicContact CE1-CD1 3.92Å; F48-I205 HydrophobicContact CE2-CD1 3.64Å; F48-I205 HydrophobicContact CE2-CG1 4.49Å; F48-I205 HydrophobicContact CG-CD1 2.97Å; F48-I205 HydrophobicContact CG-CG1 4.39Å; F48-I205 HydrophobicContact CZ-CD1 4.01Å; Q147-I205 HydrophobicContact CG-CD1 4.42Å; W201-I205 PolarHBondContact O-N 2.98Å; W202-I205 PolarHBondContact O-N 2.93Å; I205-D207 PolarHBondContact O-N 2.89Å; I205-M208 HydrophobicContact CD1-CE 4.17Å; I205-M208 HydrophobicContact CG1-CE 3.58Å; I205-M208 WeakPolarHBondContact O-CG 3.48Å
206A79.6Confident83.9Confident102 Ų10268.3 Ų68.384%0.84337%0.371SS*.G310 helixtrans-65.2-21175.400000113.4R204R204-A206 PolarHBondContact O-N 3.02Å; R204-A206 VanDerWaalsContact O-N 3.12Å
207D81.8Confident84.3Confident85 Ų8565.5 Ų65.546%0.45536%0.36SS..G310 helixtrans-133.174.2174.9-175.57.5000110.6R204 I205 S209 A210R204-D207 CarbonylContact O-C 3.47Å; R204-D207 PolarHBondContact O-N 3.17Å; I205-D207 PolarHBondContact O-N 2.89Å; D207-S209 PolarHBondContact O-N 3.22Å; D207-S209 VanDerWaalsContact O-N 3.09Å; D207-S209 WeakPolarHBondContact OD1-CB 3.47Å; D207-S209 PolarHBondContact OD1-N 3.01Å; D207-S209 PolarHBondContact OD1-OG 3.25Å; D207-A210 PolarHBondContact O-N 2.91Å
208M73.8Confident84.5Confident18 Ų1867.1 Ų67.19%0.08937%0.367CS..G310 helixtrans-61.3-17.3177.4-60.9-173.8-176.900113.4H120 F145 Q147 I205 A210 L211H120-M208 HydrophobicContact CB-SD 3.83Å; H120-M208 PolarHBondContact CD2-SD 2.79Å; F145-M208 HydrophobicContact CB-CE 3.79Å; F145-M208 HydrophobicContact CB-SD 3.61Å; F145-M208 HydrophobicContact CD2-CE 4.26Å; F145-M208 HydrophobicContact CD2-SD 4.4Å; Q147-M208 HydrophobicContact CG-CE 3.79Å; I205-M208 HydrophobicContact CD1-CE 4.17Å; I205-M208 HydrophobicContact CG1-CE 3.58Å; I205-M208 WeakPolarHBondContact O-CG 3.48Å; M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 3.46Å; M208-L211 PolarHBondContact O-N 3.33Å
209S73.6Confident84.7Confident95 Ų9573.7 Ų73.766%0.66440%0.398SS*.G310 helixtrans-67.2-33.7179.378.80000111.8D207 L211 K212D207-S209 PolarHBondContact O-N 3.22Å; D207-S209 VanDerWaalsContact O-N 3.09Å; D207-S209 WeakPolarHBondContact OD1-CB 3.47Å; D207-S209 PolarHBondContact OD1-N 3.01Å; D207-S209 PolarHBondContact OD1-OG 3.25Å; S209-L211 PolarHBondContact O-N 3.3Å; S209-K212 PolarHBondContact O-N 3.06Å
210A71.4Confident84.7Confident57 Ų5770.9 Ų70.947%0.47138%0.379SS..G310 helixtrans-74-11.1177.700000113.9D207 M208D207-A210 PolarHBondContact O-N 2.91Å; M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 3.46Å
211L72.4Confident84.3Confident18 Ų1875.4 Ų75.49%0.09440%0.404CS..G310 helixtrans-94.3-12.5179.4-67.2-179.8000113.7V122 F145 W201 R204 M208 S209 D213V122-L211 HydrophobicContact CG1-CB 4.48Å; F145-L211 HydrophobicContact CE2-CD1 4.22Å; W201-L211 HydrophobicContact CB-CD1 3.99Å; W201-L211 HydrophobicContact CG-CD1 4.33Å; W201-L211 HydrophobicContact CG-CD2 4.45Å; W201-L211 WeakPolarHBondContact O-CD1 2.92Å; R204-L211 HydrophobicContact CB-CD1 4.08Å; R204-L211 HydrophobicContact CB-CD2 3.79Å; R204-L211 HydrophobicContact CB-CG 3.95Å; R204-L211 HydrophobicContact CG-CD2 4.27Å; M208-L211 PolarHBondContact O-N 3.33Å; S209-L211 PolarHBondContact O-N 3.3Å; L211-D213 PolarHBondContact O-N 2.84Å; L211-D213 VanDerWaalsContact O-N 3.1Å
212K82.6Confident84.2Confident126 Ų12678.4 Ų78.455%0.54842%0.421SS..  trans-72.3107.6-168.1-171.6-177.4178.1-171.20111.2S209 M214S209-K212 PolarHBondContact O-N 3.06Å; K212-M214 HydrophobicContact CD-CG 4.39Å; K212-M214 HydrophobicContact CG-CG 3.81Å
213D88.9Confident84Confident48 Ų4881.3 Ų81.326%0.25744%0.439SS..  trans-124.486166.4173.919.9000108.7V122 S123 L211 E215 S216 H218V122-D213 PolarHBondContact O-N 3.47Å; S123-D213 WeakPolarHBondContact CA-O 3.42Å; L211-D213 PolarHBondContact O-N 2.84Å; L211-D213 VanDerWaalsContact O-N 3.1Å; D213-E215 PolarHBondContact OD1-N 2.83Å; D213-S216 WeakPolarHBondContact OD1-CB 3.41Å; D213-S216 PolarHBondContact OD1-N 3.33Å; D213-S216 PolarHBondContact OD1-OG 2.93Å; D213-S216 WeakPolarHBondContact OD2-CB 3.37Å; D213-S216 PolarHBondContact OD2-OG 3.17Å; D213-H218 IonicContact OD2-CE1 2.76Å; D213-H218 IonicContact OD2-NE2 3.87Å; D213-H218 PolarHBondContact OD2-NE2 2.97Å
214M91.8Very high84Confident18 Ų1876.3 Ų76.39%0.08942%0.419CS..  trans-95.6-1.5177.7-64-56.9-59.300112.6F94 C121 R124 Y142 K212F94-M214 HydrophobicContact CD1-CE 4.07Å; F94-M214 HydrophobicContact CD2-CE 4.47Å; F94-M214 HydrophobicContact CE1-CE 3.72Å; F94-M214 HydrophobicContact CE2-CB 4.17Å; F94-M214 HydrophobicContact CE2-CE 4.16Å; F94-M214 HydrophobicContact CE2-CG 3.91Å; F94-M214 HydrophobicContact CG-CE 4.42Å; F94-M214 HydrophobicContact CZ-CB 3.75Å; F94-M214 HydrophobicContact CZ-CE 3.77Å; F94-M214 HydrophobicContact CZ-CG 3.94Å; C121-M214 VanDerWaalsContact C-SD 3.6Å; C121-M214 HydrophobicContact CB-CE 3.77Å; C121-M214 HydrophobicContact CB-SD 3.71Å; R124-M214 HydrophobicContact CG-CE 3.73Å; R124-M214 PolarHBondContact NE-O 3.31Å; R124-M214 PolarHBondContact NH2-O 3.02Å; Y142-M214 HydrophobicContact CD1-CE 3.68Å; Y142-M214 HydrophobicContact CE1-CE 3.49Å; Y142-M214 VanDerWaalsContact CE1-CE 3.49Å; K212-M214 HydrophobicContact CD-CG 4.39Å; K212-M214 HydrophobicContact CG-CG 3.81Å
215E89.8Confident84Confident184 Ų18472.8 Ų72.886%0.8641%0.413SS*.SBendtrans-86.5-39.4177.9-68.3-173.1179.300110.7R124 D213R124-E215 PolarHBondContact NH2-O 2.79Å; D213-E215 PolarHBondContact OD1-N 2.83Å
216S93.1Very high84Confident51 Ų5176.1 Ų76.136%0.35743%0.432SS..  trans-77.8156.3177.7-46.20000112.3R124 D213R124-S216 PolarHBondContact NH2-O 3.2Å; D213-S216 WeakPolarHBondContact OD1-CB 3.41Å; D213-S216 PolarHBondContact OD1-N 3.33Å; D213-S216 PolarHBondContact OD1-OG 2.93Å; D213-S216 WeakPolarHBondContact OD2-CB 3.37Å; D213-S216 PolarHBondContact OD2-OG 3.17Å
217I94.7Very high84.3Confident48 Ų4874.4 Ų74.425%0.24641%0.405CS..  trans-122.1114.2165.1-63165000105.8T14 D16 R124 L126 L140 E219T14-I217 WeakPolarHBondContact O-CD1 3.23Å; D16-I217 HydrophobicContact CB-CD1 4.28Å; R124-I217 HydrophobicContact CB-CG1 4.36Å; L126-I217 HydrophobicContact CB-CG2 3.75Å; L140-I217 HydrophobicContact CD1-CD1 4.02Å; I217-E219 PolarHBondContact O-N 3.49Å
218H92.6Very high84.5Confident61 Ų6173.6 Ų73.628%0.28240%0.402SS..EExtended strand (participates in β ladder)trans-85.6109.4-176.3-64.7-89.6000109.3S123 R124 I125 L126 D213 L220S123-H218 PolarHBondContact OG-CD2 3.43Å; R124-H218 PolarHBondContact O-CD2 3.47Å; R124-H218 PolarHBondContact O-N 3.24Å; I125-H218 CarbonylContact C-O 3.46Å; I125-H218 VanDerWaalsContact CA-O 3.27Å; I125-H218 WeakPolarHBondContact CA-O 3.41Å; I125-H218 HydrophobicContact CG1-CB 4.38Å; L126-H218 PolarHBondContact N-O 2.96Å; D213-H218 IonicContact OD2-CE1 2.76Å; D213-H218 IonicContact OD2-NE2 3.87Å; D213-H218 PolarHBondContact OD2-NE2 2.97Å; H218-L220 PolarHBondContact O-N 3.26Å
219E93.3Very high85.3Confident141 Ų14177.9 Ų77.966%0.65943%0.426SS*.EExtended strand (participates in β ladder)trans-76.5114.7176.4-167.4174.4177.500110L126 I217 T221L126-E219 HydrophobicContact CD2-CG 4.49Å; L126-E219 WeakPolarHBondContact O-CA 3.31Å; I217-E219 PolarHBondContact O-N 3.49Å; E219-T221 HydrophobicContact CG-CG2 4.4Å
220L87.4Confident86.3Confident14 Ų1476.5 Ų76.57%0.07341%0.406CS..EExtended strand (participates in β ladder)trans-108.8103.4178.6-63-167.5000109.8I125 L126 L192 K196 L197 H218I125-L220 HydrophobicContact CD1-CD1 3.79Å; I125-L220 HydrophobicContact CG1-CD1 4.32Å; I125-L220 HydrophobicContact CG2-CB 3.97Å; I125-L220 HydrophobicContact CG2-CD1 3.68Å; I125-L220 HydrophobicContact CG2-CG 3.65Å; L126-L220 PolarHBondContact O-N 3.44Å; L192-L220 HydrophobicContact CB-CB 4.29Å; L192-L220 HydrophobicContact CB-CD1 3.83Å; L192-L220 HydrophobicContact CD1-CB 4.04Å; L192-L220 HydrophobicContact CD2-CB 4.41Å; L192-L220 HydrophobicContact CG-CB 4.49Å; K196-L220 HydrophobicContact CD-CD2 3.66Å; L197-L220 HydrophobicContact CD1-CD1 4.14Å; H218-L220 PolarHBondContact O-N 3.26Å
221T77.7Confident87.7Confident152 Ų15278.3 Ų78.393%0.93340%0.4SS*.  trans-1000168.262.80000111.4K196 E219K196-T221 PolarHBondContact NZ-O 3.41Å; E219-T221 HydrophobicContact CG-CG2 4.4Å

Retrieved 221 of 221 residues in 135.2 ms (Link to these results)

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