A0A077ZN22_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M61.4Low82.4Confident167 Ų16784.3 Ų84.382%0.82343%0.429SS*.  0128.70-168.5179.3-171.700109.3
2I71.4Confident82.8Confident42 Ų4282.3 Ų82.322%0.21542%0.416CS..  trans-77.7121.3168.9-59.1-175.2000106.9D4 I7 I55 N56 I59I2-D4 PolarHBondContact O-N 3.32Å; I2-I7 HydrophobicContact CG2-CD1 3.3Å; I2-I7 HydrophobicContact CG2-CG1 4.32Å; I2-I55 HydrophobicContact CD1-CB 4.13Å; I2-I55 HydrophobicContact CD1-CG2 3.67Å; I2-I55 HydrophobicContact CG1-CG2 3.7Å; I2-N56 VanDerWaalsContact CD1-OD1 3.27Å; I2-N56 WeakPolarHBondContact CD1-OD1 3.41Å; I2-I59 HydrophobicContact CG1-CD1 4.33Å
3D77.3Confident83.1Confident67 Ų6786.4 Ų86.436%0.35843%0.433SS..  trans-88.594.4176.3-174.7-15.1000108.6K5 K6 I7D3-K5 PolarHBondContact O-N 3.03Å; D3-K5 VanDerWaalsContact O-N 3.15Å; D3-K5 WeakPolarHBondContact OD1-CB 3.09Å; D3-K5 PolarHBondContact OD1-N 2.93Å; D3-K5 VanDerWaalsContact OD1-N 3.08Å; D3-K6 HydrophobicContact CB-CB 4.04Å; D3-K6 HydrophobicContact CB-CD 3.96Å; D3-K6 HydrophobicContact CB-CG 4.08Å; D3-K6 WeakPolarHBondContact O-CB 3.5Å; D3-K6 PolarHBondContact O-N 2.9Å; D3-K6 PolarHBondContact OD1-N 2.92Å; D3-K6 WeakPolarHBondContact OD2-CD 3.29Å; D3-K6 VanDerWaalsContact OD2-CE 3.23Å; D3-K6 WeakPolarHBondContact OD2-CE 3.43Å; D3-K6 VanDerWaalsContact OD2-CG 3.32Å; D3-K6 WeakPolarHBondContact OD2-CG 3.47Å; D3-K6 IonicContact OD2-NZ 3.2Å; D3-I7 PolarHBondContact O-N 2.63Å
4D83.9Confident83.3Confident84 Ų8485.6 Ų85.645%0.44943%0.43SS..Hα-helixtrans-53.7-33.4178.9-78.4-42.1000111.9I2 K6 I7 E8 K52I2-D4 PolarHBondContact O-N 3.32Å; D4-K6 VanDerWaalsContact C-N 3.35Å; D4-K6 PolarHBondContact O-N 3.35Å; D4-I7 PolarHBondContact O-N 2.89Å; D4-E8 WeakPolarHBondContact O-CG 3.35Å; D4-E8 PolarHBondContact O-N 2.96Å; D4-K52 WeakPolarHBondContact OD1-CE 3.27Å; D4-K52 IonicContact OD1-NZ 2.58Å; D4-K52 PolarHBondContact OD1-NZ 3.02Å
5K86.7Confident83.4Confident174 Ų17480.6 Ų80.676%0.75740%0.404SS*.Hα-helixtrans-67.8-36.9178.7-63.1-179.4179176.80111.8D3 S9D3-K5 PolarHBondContact O-N 3.03Å; D3-K5 VanDerWaalsContact O-N 3.15Å; D3-K5 WeakPolarHBondContact OD1-CB 3.09Å; D3-K5 PolarHBondContact OD1-N 2.93Å; D3-K5 VanDerWaalsContact OD1-N 3.08Å; K5-S9 WeakPolarHBondContact O-CB 3.4Å; K5-S9 PolarHBondContact O-N 2.86Å
6K87Confident83.5Confident150 Ų15082 Ų8265%0.65241%0.409SS*.Hα-helixtrans-68.5-38173.3-74.9179.4-174.3175.10111.6D3 D4 S9 A10D3-K6 HydrophobicContact CB-CB 4.04Å; D3-K6 HydrophobicContact CB-CD 3.96Å; D3-K6 HydrophobicContact CB-CG 4.08Å; D3-K6 WeakPolarHBondContact O-CB 3.5Å; D3-K6 PolarHBondContact O-N 2.9Å; D3-K6 PolarHBondContact OD1-N 2.92Å; D3-K6 WeakPolarHBondContact OD2-CD 3.29Å; D3-K6 VanDerWaalsContact OD2-CE 3.23Å; D3-K6 WeakPolarHBondContact OD2-CE 3.43Å; D3-K6 VanDerWaalsContact OD2-CG 3.32Å; D3-K6 WeakPolarHBondContact OD2-CG 3.47Å; D3-K6 IonicContact OD2-NZ 3.2Å; D4-K6 VanDerWaalsContact C-N 3.35Å; D4-K6 PolarHBondContact O-N 3.35Å; K6-S9 PolarHBondContact O-N 2.79Å; K6-A10 VanDerWaalsContact O-CB 3.27Å; K6-A10 WeakPolarHBondContact O-CB 3.46Å; K6-A10 PolarHBondContact O-N 3.41Å
7I87Confident83.5Confident16 Ų1683.9 Ų83.98%0.08242%0.421CS..Hα-helixtrans-61.9-48.9174.3-66.4-178.1000110I2 D3 D4 S9 A10 K11 A51 K52 I55I2-I7 HydrophobicContact CG2-CD1 3.3Å; I2-I7 HydrophobicContact CG2-CG1 4.32Å; D3-I7 PolarHBondContact O-N 2.63Å; D4-I7 PolarHBondContact O-N 2.89Å; I7-S9 PolarHBondContact O-N 2.88Å; I7-A10 PolarHBondContact O-N 2.84Å; I7-K11 WeakPolarHBondContact O-CB 3.45Å; I7-K11 PolarHBondContact O-N 3.31Å; I7-A51 HydrophobicContact CG2-CB 4.39Å; I7-K52 HydrophobicContact CD1-CG 3.88Å; I7-I55 HydrophobicContact CD1-CD1 4.15Å
8E88.2Confident83.5Confident85 Ų8586.7 Ų86.740%0.39743%0.43SS..Hα-helixtrans-61.9-41.9178.3-70.5-57.9135.600112.3D4 K11 E12D4-E8 WeakPolarHBondContact O-CG 3.35Å; D4-E8 PolarHBondContact O-N 2.96Å; E8-K11 WeakPolarHBondContact O-CB 3.44Å; E8-K11 PolarHBondContact O-N 2.9Å; E8-K11 IonicContact OE1-NZ 3.35Å; E8-K11 PolarHBondContact OE1-NZ 3.32Å; E8-K11 WeakPolarHBondContact OE2-CD 3.47Å; E8-K11 IonicContact OE2-NZ 3.53Å; E8-K11 PolarHBondContact OE2-NZ 3.24Å; E8-E12 PolarHBondContact O-N 3.35Å
9S89Confident83.3Confident80 Ų8085.1 Ų85.156%0.55942%0.42SS*.Hα-helixtrans-63.3-44.3175.7-171.80000112.4K5 K6 I7 E12 E13K5-S9 WeakPolarHBondContact O-CB 3.4Å; K5-S9 PolarHBondContact O-N 2.86Å; K6-S9 PolarHBondContact O-N 2.79Å; I7-S9 PolarHBondContact O-N 2.88Å; S9-E12 PolarHBondContact O-N 3.34Å; S9-E13 PolarHBondContact O-N 3.25Å; S9-E13 VanDerWaalsContact O-N 3.12Å
10A86.5Confident82.6Confident39 Ų3986.5 Ų86.532%0.32243%0.429SS..Hα-helixtrans-69.2-36.7178.800000111.7K6 I7 E13 I14K6-A10 VanDerWaalsContact O-CB 3.27Å; K6-A10 WeakPolarHBondContact O-CB 3.46Å; K6-A10 PolarHBondContact O-N 3.41Å; I7-A10 PolarHBondContact O-N 2.84Å; A10-E13 PolarHBondContact O-N 3.35Å; A10-I14 WeakPolarHBondContact O-CB 3.39Å; A10-I14 WeakPolarHBondContact O-CD1 3.43Å; A10-I14 WeakPolarHBondContact O-CG1 3.3Å; A10-I14 PolarHBondContact O-N 3.29Å
11K87.8Confident82.1Confident23 Ų2386.2 Ų86.210%0.145%0.448CS..Hα-helixtrans-59.6-44.3174.1167-172.4161.7-163.80111.4I7 E8 Y15 K44 I47I7-K11 WeakPolarHBondContact O-CB 3.45Å; I7-K11 PolarHBondContact O-N 3.31Å; E8-K11 WeakPolarHBondContact O-CB 3.44Å; E8-K11 PolarHBondContact O-N 2.9Å; E8-K11 IonicContact OE1-NZ 3.35Å; E8-K11 PolarHBondContact OE1-NZ 3.32Å; E8-K11 WeakPolarHBondContact OE2-CD 3.47Å; E8-K11 IonicContact OE2-NZ 3.53Å; E8-K11 PolarHBondContact OE2-NZ 3.24Å; K11-Y15 WeakPolarHBondContact O-CB 3.28Å; K11-Y15 PolarHBondContact O-N 3.02Å; K11-K44 HydrophobicContact CD-CB 4.28Å; K11-K44 VanDerWaalsContact CD-O 3.24Å; K11-K44 WeakPolarHBondContact CD-O 3.03Å; K11-K44 WeakPolarHBondContact CE-O 3.12Å; K11-K44 HydrophobicContact CG-CB 4.15Å; K11-K44 HydrophobicContact CG-CG 4.04Å; K11-K44 WeakPolarHBondContact CG-O 3.43Å; K11-I47 HydrophobicContact CB-CG2 4.28Å; K11-I47 HydrophobicContact CG-CG2 4.46Å
12E87.1Confident82Confident60 Ų6081.8 Ų81.828%0.2843%0.433SS..Hα-helixtrans-64.4-47174.4-161.169.9-149.100111.2E8 S9 I14 Y15 E16 K40 K44E8-E12 PolarHBondContact O-N 3.35Å; S9-E12 PolarHBondContact O-N 3.34Å; E12-I14 PolarHBondContact O-N 2.89Å; E12-Y15 PolarHBondContact O-N 3.43Å; E12-E16 HydrophobicContact CG-CG 4.47Å; E12-E16 WeakPolarHBondContact O-CB 3.33Å; E12-E16 WeakPolarHBondContact O-CG 3.29Å; E12-E16 PolarHBondContact O-N 3.25Å; E12-K40 IonicContact OE1-NZ 3.31Å; E12-K40 PolarHBondContact OE1-NZ 3.35Å; E12-K44 WeakPolarHBondContact OE1-CE 3.5Å; E12-K44 IonicContact OE1-NZ 3.35Å; E12-K44 PolarHBondContact OE1-NZ 3.03Å; E12-K44 WeakPolarHBondContact OE2-CE 3.35Å; E12-K44 IonicContact OE2-NZ 2.78Å; E12-K44 PolarHBondContact OE2-NZ 3.42Å
13E87.5Confident81.4Confident136 Ų13682 Ų8264%0.63645%0.445SS*.Hα-helixtrans-61.4-43.4-179.6-173.9-179.8174.800112.5S9 A10 Y15 E16 D17S9-E13 PolarHBondContact O-N 3.25Å; S9-E13 VanDerWaalsContact O-N 3.12Å; A10-E13 PolarHBondContact O-N 3.35Å; E13-Y15 VanDerWaalsContact C-N 3.35Å; E13-E16 PolarHBondContact O-N 2.82Å; E13-D17 WeakPolarHBondContact O-CB 3.34Å; E13-D17 PolarHBondContact O-N 3.13Å
14I86Confident80.5Confident76 Ų7686.9 Ų86.939%0.3947%0.465SS..Hα-helixtrans-64.6-42.3176.6-69.1164.6000110.4A10 E12 K18 I47A10-I14 WeakPolarHBondContact O-CB 3.39Å; A10-I14 WeakPolarHBondContact O-CD1 3.43Å; A10-I14 WeakPolarHBondContact O-CG1 3.3Å; A10-I14 PolarHBondContact O-N 3.29Å; E12-I14 PolarHBondContact O-N 2.89Å; I14-K18 HydrophobicContact CG2-CG 4.43Å; I14-K18 VanDerWaalsContact O-CB 3.32Å; I14-K18 WeakPolarHBondContact O-CB 3.31Å; I14-K18 PolarHBondContact O-N 2.82Å; I14-I47 HydrophobicContact CD1-CG2 4.24Å; I14-I47 HydrophobicContact CG2-CD1 3.87Å
15Y83.5Confident79.4Confident10 Ų1087 Ų874%0.03946%0.464CS..Hα-helixtrans-61-46.9175.8-177.1-87.8000111K11 E12 E13 F19 L20 K40 I43 K44K11-Y15 WeakPolarHBondContact O-CB 3.28Å; K11-Y15 PolarHBondContact O-N 3.02Å; E12-Y15 PolarHBondContact O-N 3.43Å; E13-Y15 VanDerWaalsContact C-N 3.35Å; Y15-F19 HydrophobicContact CD2-CB 3.79Å; Y15-F19 HydrophobicContact CD2-CD2 4.32Å; Y15-F19 HydrophobicContact CD2-CG 4.26Å; Y15-F19 HydrophobicContact CE2-CB 3.68Å; Y15-F19 HydrophobicContact CE2-CG 4.39Å; Y15-F19 HydrophobicContact CG-CB 4.3Å; Y15-F19 CarbonylContact O-C 3.54Å; Y15-F19 VanDerWaalsContact O-CA 3.31Å; Y15-F19 WeakPolarHBondContact O-CA 3.45Å; Y15-F19 WeakPolarHBondContact O-CB 3.31Å; Y15-F19 PolarHBondContact O-N 2.97Å; Y15-L20 PolarHBondContact O-N 2.78Å; Y15-L20 VanDerWaalsContact O-N 3.13Å; Y15-K40 HydrophobicContact CD1-CD 4.23Å; Y15-K40 HydrophobicContact CD1-CG 4.33Å; Y15-K40 HydrophobicContact CD2-CG 4.42Å; Y15-K40 HydrophobicContact CE1-CB 4.49Å; Y15-K40 HydrophobicContact CE1-CD 3.45Å; Y15-K40 VanDerWaalsContact CE1-CD 3.45Å; Y15-K40 HydrophobicContact CE1-CG 3.67Å; Y15-K40 HydrophobicContact CE2-CB 4.09Å; Y15-K40 HydrophobicContact CE2-CD 4.47Å; Y15-K40 HydrophobicContact CE2-CG 3.76Å; Y15-K40 VanDerWaalsContact OH-CB 3.3Å; Y15-K40 WeakPolarHBondContact OH-CB 3.33Å; Y15-K40 WeakPolarHBondContact OH-CG 3.37Å; Y15-I43 HydrophobicContact CD2-CB 4.36Å; Y15-I43 HydrophobicContact CD2-CG2 4.01Å; Y15-I43 HydrophobicContact CE2-CB 4.32Å; Y15-I43 HydrophobicContact CE2-CD1 4.09Å; Y15-I43 HydrophobicContact CE2-CG2 4.3Å; Y15-K44 HydrophobicContact CD2-CG 4.06Å; Y15-K44 HydrophobicContact CG-CG 4.14Å
16E85.3Confident78.3Confident103 Ų10380.5 Ų80.548%0.48144%0.439SS..Hα-helixtrans-65.1-41.4179-71.4-169.9169.800113E12 E13 L20E12-E16 HydrophobicContact CG-CG 4.47Å; E12-E16 WeakPolarHBondContact O-CB 3.33Å; E12-E16 WeakPolarHBondContact O-CG 3.29Å; E12-E16 PolarHBondContact O-N 3.25Å; E13-E16 PolarHBondContact O-N 2.82Å; E16-L20 HydrophobicContact CB-CD1 3.54Å; E16-L20 HydrophobicContact CB-CG 4.24Å; E16-L20 HydrophobicContact CG-CD1 3.64Å; E16-L20 HydrophobicContact CG-CG 4.22Å; E16-L20 WeakPolarHBondContact O-CB 3.32Å; E16-L20 WeakPolarHBondContact O-CD1 3.13Å
17D83.8Confident77.3Confident114 Ų11478.8 Ų78.861%0.6143%0.434SS*.Hα-helixtrans-73.3-37.5-179.6-177.257.7000112.8E13E13-D17 WeakPolarHBondContact O-CB 3.34Å; E13-D17 PolarHBondContact O-N 3.13Å
18K83.7Confident76.3Confident134 Ų13479.9 Ų79.958%0.58345%0.445SS*.Hα-helixtrans-103.5-26.7-171.2-58.6-53.8-174.5-147.70114.9I14I14-K18 HydrophobicContact CG2-CG 4.43Å; I14-K18 VanDerWaalsContact O-CB 3.32Å; I14-K18 WeakPolarHBondContact O-CB 3.31Å; I14-K18 PolarHBondContact O-N 2.82Å
19F80Confident75.3Confident57 Ų5782 Ų8225%0.2545%0.453CS..THydrogen-bonded Turntrans-124.3-14.7-167.7-60.9-88.1000115Y15 G21 C22 V26 I43 I47Y15-F19 HydrophobicContact CD2-CB 3.79Å; Y15-F19 HydrophobicContact CD2-CD2 4.32Å; Y15-F19 HydrophobicContact CD2-CG 4.26Å; Y15-F19 HydrophobicContact CE2-CB 3.68Å; Y15-F19 HydrophobicContact CE2-CG 4.39Å; Y15-F19 HydrophobicContact CG-CB 4.3Å; Y15-F19 CarbonylContact O-C 3.54Å; Y15-F19 VanDerWaalsContact O-CA 3.31Å; Y15-F19 WeakPolarHBondContact O-CA 3.45Å; Y15-F19 WeakPolarHBondContact O-CB 3.31Å; Y15-F19 PolarHBondContact O-N 2.97Å; F19-G21 PolarHBondContact O-N 2.95Å; F19-C22 WeakPolarHBondContact O-CB 3.32Å; F19-C22 PolarHBondContact O-N 3.35Å; F19-V26 HydrophobicContact CD1-CG2 4.23Å; F19-I43 HydrophobicContact CD1-CD1 4.36Å; F19-I43 HydrophobicContact CD1-CG2 4.21Å; F19-I43 HydrophobicContact CD2-CG2 4.13Å; F19-I43 HydrophobicContact CE1-CG2 4.09Å; F19-I43 HydrophobicContact CE2-CG2 4.01Å; F19-I43 HydrophobicContact CG-CG2 4.22Å; F19-I43 HydrophobicContact CZ-CG2 3.99Å; F19-I47 HydrophobicContact CE2-CD1 4.24Å
20L69.4Low74.1Confident112 Ų11283.6 Ų83.659%0.58645%0.45SS*.THydrogen-bonded Turntrans-54-28.6177.3-101.1168.7000113.5Y15 E16Y15-L20 PolarHBondContact O-N 2.78Å; Y15-L20 VanDerWaalsContact O-N 3.13Å; E16-L20 HydrophobicContact CB-CD1 3.54Å; E16-L20 HydrophobicContact CB-CG 4.24Å; E16-L20 HydrophobicContact CG-CD1 3.64Å; E16-L20 HydrophobicContact CG-CG 4.22Å; E16-L20 WeakPolarHBondContact O-CB 3.32Å; E16-L20 WeakPolarHBondContact O-CD1 3.13Å
21G70.7Confident73.1Confident81 Ų8187.3 Ų87.384%0.83546%0.464SS*.THydrogen-bonded Turntrans-87.4-8.9177.900000115.3F19 G23F19-G21 PolarHBondContact O-N 2.95Å; G21-G23 VanDerWaalsContact C-N 3.32Å; G21-G23 PolarHBondContact O-N 2.58Å
22C59.5Low72.3Confident75 Ų7595.4 Ų95.451%0.50750%0.502SS..SBendtrans-85.22.5-171.1-70.20000114.5F19 V26F19-C22 WeakPolarHBondContact O-CB 3.32Å; F19-C22 PolarHBondContact O-N 3.35Å; C22-V26 HydrophobicContact CB-CG2 4.11Å
23G58.7Low71.3Confident45 Ų45100.1 Ų100.146%0.46453%0.53SS..  trans85.2170.5-171.600000112.2G21 M25G21-G23 VanDerWaalsContact C-N 3.32Å; G21-G23 PolarHBondContact O-N 2.58Å; G23-M25 PolarHBondContact O-N 2.81Å
24E59.6Low70.4Confident170 Ų17098.7 Ų98.779%0.79452%0.523SS*.SBendtrans-69.1-22-175-163.5169.2-167.200112.9
25M60.7Low69.5Low87 Ų87100.1 Ų100.143%0.42953%0.528SS..EExtended strand (participates in β ladder)trans-128.2132.6180-56.1-67.1-81.700109.3G23 M37 F38 D39G23-M25 PolarHBondContact O-N 2.81Å; M25-M37 HydrophobicContact CE-CB 3.84Å; M25-F38 CarbonylContact C-O 3.57Å; M25-F38 WeakPolarHBondContact CA-O 3.35Å; M25-D39 HydrophobicContact CE-CB 4.28Å; M25-D39 HydrophobicContact SD-CB 3.65Å
26V64.5Low69Low38 Ų38103.2 Ų103.223%0.2354%0.543CS..EExtended strand (participates in β ladder)trans-102.5122.1171.9178.40000108.8F19 C22 F38 I43F19-V26 HydrophobicContact CD1-CG2 4.23Å; C22-V26 HydrophobicContact CB-CG2 4.11Å; V26-F38 PolarHBondContact N-O 2.81Å; V26-F38 PolarHBondContact O-N 3.44Å; V26-I43 HydrophobicContact CB-CD1 3.79Å; V26-I43 HydrophobicContact CG2-CD1 3.37Å
27E64.6Low68.5Low114 Ų114104 Ų10453%0.53355%0.548SS..EExtended strand (participates in β ladder)trans-78.3119.9171.9-62178.8-175.500109.1F29 Q35E27-F29 HydrophobicContact CB-CE2 4.37Å; E27-Q35 PolarHBondContact OE2-NE2 3.05Å
28A66Low68.2Low39 Ų39101.7 Ų101.732%0.32253%0.533SS..EExtended strand (participates in β ladder)trans-114.7137.916700000109.8E36 F38A28-E36 PolarHBondContact N-O 3.33Å; A28-E36 PolarHBondContact O-N 2.85Å; A28-E36 VanDerWaalsContact O-O 3.1Å; A28-F38 HydrophobicContact CB-CD2 3.74Å; A28-F38 HydrophobicContact CB-CE2 3.58Å
29F68.4Low68.1Low129 Ų12998.3 Ų98.357%0.56652%0.521SS*.EExtended strand (participates in β ladder)trans-99.7121.3178.3-64.4-89.2000107.9E27 E34 Q35E27-F29 HydrophobicContact CB-CE2 4.37Å; F29-E34 WeakPolarHBondContact CA-O 3.49Å; F29-Q35 HydrophobicContact CD1-CB 4.38Å; F29-Q35 HydrophobicContact CE1-CB 4.16Å; F29-Q35 HydrophobicContact CE1-CG 4.03Å; F29-Q35 HydrophobicContact CZ-CG 4.37Å
30K63Low68.2Low114 Ų11498.7 Ų98.750%0.49652%0.523SS..EExtended strand (participates in β ladder)trans-69.8-43.8168.1-82.2177.5166.6169.20110.1E34 E36K30-E34 HydrophobicContact CB-CB 3.91Å; K30-E34 WeakPolarHBondContact CD-OE2 3.12Å; K30-E34 PolarHBondContact N-O 3.4Å; K30-E36 HydrophobicContact CD-CG 4.49Å; K30-E36 VanDerWaalsContact CE-OE1 3.29Å; K30-E36 WeakPolarHBondContact CE-OE1 3.24Å; K30-E36 WeakPolarHBondContact CE-OE2 3.43Å; K30-E36 VanDerWaalsContact NZ-CD 3.25Å; K30-E36 IonicContact NZ-OE1 4Å; K30-E36 PolarHBondContact NZ-OE1 3.21Å; K30-E36 IonicContact NZ-OE2 2.63Å; K30-E36 PolarHBondContact NZ-OE2 3.1Å
31D65.2Low68.9Low116 Ų11698.4 Ų98.462%0.6252%0.518SS*.EExtended strand (participates in β ladder)trans-150.3-180175.5-72.8-45.7000109.4D33 E34D31-D33 PolarHBondContact O-N 3.4Å; D31-E34 PolarHBondContact O-N 3.01Å
32E71.1Confident69.6Low193 Ų19397.5 Ų97.590%0.90249%0.494SS*.THydrogen-bonded Turntrans-54.6-24.8179.3-66-176.718000113.7
33D66.2Low70.8Confident159 Ų15994.8 Ų94.885%0.8547%0.474SS*.THydrogen-bonded Turntrans-110.1-12-173.7-63.4-45.3000114.6D31D31-D33 PolarHBondContact O-N 3.4Å
34E68.2Low72Confident107 Ų10793.1 Ų93.150%0.545%0.454SS..EExtended strand (participates in β ladder)trans-115100.4-175.4-75.5-169.9-172.400111.3F29 K30 D31F29-E34 WeakPolarHBondContact CA-O 3.49Å; K30-E34 HydrophobicContact CB-CB 3.91Å; K30-E34 WeakPolarHBondContact CD-OE2 3.12Å; K30-E34 PolarHBondContact N-O 3.4Å; D31-E34 PolarHBondContact O-N 3.01Å
35Q67.2Low73.5Confident106 Ų10690.4 Ų90.450%0.49544%0.442SS..EExtended strand (participates in β ladder)trans-95.9120.2176-172-177.440.400109.9E27 F29E27-Q35 PolarHBondContact OE2-NE2 3.05Å; F29-Q35 HydrophobicContact CD1-CB 4.38Å; F29-Q35 HydrophobicContact CE1-CB 4.16Å; F29-Q35 HydrophobicContact CE1-CG 4.03Å; F29-Q35 HydrophobicContact CZ-CG 4.37Å
36E74Confident74.8Confident74 Ų7489.3 Ų89.335%0.34645%0.447SS..EExtended strand (participates in β ladder)trans-111.6134.1169.2-75.1-173.2165.500109.6A28 K30 F38A28-E36 PolarHBondContact N-O 3.33Å; A28-E36 PolarHBondContact O-N 2.85Å; A28-E36 VanDerWaalsContact O-O 3.1Å; K30-E36 HydrophobicContact CD-CG 4.49Å; K30-E36 VanDerWaalsContact CE-OE1 3.29Å; K30-E36 WeakPolarHBondContact CE-OE1 3.24Å; K30-E36 WeakPolarHBondContact CE-OE2 3.43Å; K30-E36 VanDerWaalsContact NZ-CD 3.25Å; K30-E36 IonicContact NZ-OE1 4Å; K30-E36 PolarHBondContact NZ-OE1 3.21Å; K30-E36 IonicContact NZ-OE2 2.63Å; K30-E36 PolarHBondContact NZ-OE2 3.1Å; E36-F38 HydrophobicContact CB-CD2 4.38Å; E36-F38 HydrophobicContact CB-CE2 3.57Å; E36-F38 HydrophobicContact CB-CZ 3.97Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.44Å
37M73.4Confident75.9Confident120 Ų12089.5 Ų89.559%0.59145%0.446SS*.EExtended strand (participates in β ladder)trans-99.5122.8174.7-57.4-176.6-65.100108M25M25-M37 HydrophobicContact CE-CB 3.84Å
38F78.7Confident77Confident66 Ų6684.3 Ų84.329%0.28942%0.423SS..EExtended strand (participates in β ladder)trans-102.9127.5175.9-66.6-87.7000108.4M25 V26 A28 E36 D42 I43M25-F38 CarbonylContact C-O 3.57Å; M25-F38 WeakPolarHBondContact CA-O 3.35Å; V26-F38 PolarHBondContact N-O 2.81Å; V26-F38 PolarHBondContact O-N 3.44Å; A28-F38 HydrophobicContact CB-CD2 3.74Å; A28-F38 HydrophobicContact CB-CE2 3.58Å; E36-F38 HydrophobicContact CB-CD2 4.38Å; E36-F38 HydrophobicContact CB-CE2 3.57Å; E36-F38 HydrophobicContact CB-CZ 3.97Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.44Å; F38-D42 HydrophobicContact CB-CB 4.12Å; F38-D42 HydrophobicContact CD1-CB 3.79Å; F38-D42 HydrophobicContact CG-CB 4.47Å; F38-I43 HydrophobicContact CB-CG1 4.05Å
39D81.5Confident78.2Confident62 Ų6287.3 Ų87.333%0.33243%0.433SS..EExtended strand (participates in β ladder)trans-79.7175.4171.875.123.6000111M25 E41 D42 I43M25-D39 HydrophobicContact CE-CB 4.28Å; M25-D39 HydrophobicContact SD-CB 3.65Å; D39-E41 PolarHBondContact O-N 3.5Å; D39-E41 WeakPolarHBondContact OD1-CA 3.48Å; D39-E41 WeakPolarHBondContact OD1-CB 3.43Å; D39-E41 PolarHBondContact OD1-N 3.47Å; D39-D42 PolarHBondContact N-OD2 2.93Å; D39-D42 PolarHBondContact O-N 2.85Å; D39-D42 PolarHBondContact OD1-N 2.86Å; D39-I43 WeakPolarHBondContact O-CD1 3.37Å; D39-I43 WeakPolarHBondContact O-CG1 3.34Å; D39-I43 PolarHBondContact O-N 2.89Å
40K82.3Confident79.2Confident66 Ų6683 Ų8329%0.28743%0.425SS..Hα-helixtrans-51.7-39.9176.3169.4163.4-179177.70112.8E12 Y15 K44E12-K40 IonicContact OE1-NZ 3.31Å; E12-K40 PolarHBondContact OE1-NZ 3.35Å; Y15-K40 HydrophobicContact CD1-CD 4.23Å; Y15-K40 HydrophobicContact CD1-CG 4.33Å; Y15-K40 HydrophobicContact CD2-CG 4.42Å; Y15-K40 HydrophobicContact CE1-CB 4.49Å; Y15-K40 HydrophobicContact CE1-CD 3.45Å; Y15-K40 VanDerWaalsContact CE1-CD 3.45Å; Y15-K40 HydrophobicContact CE1-CG 3.67Å; Y15-K40 HydrophobicContact CE2-CB 4.09Å; Y15-K40 HydrophobicContact CE2-CD 4.47Å; Y15-K40 HydrophobicContact CE2-CG 3.76Å; Y15-K40 VanDerWaalsContact OH-CB 3.3Å; Y15-K40 WeakPolarHBondContact OH-CB 3.33Å; Y15-K40 WeakPolarHBondContact OH-CG 3.37Å; K40-K44 HydrophobicContact CG-CD 4.28Å; K40-K44 VanDerWaalsContact O-CB 3.29Å; K40-K44 WeakPolarHBondContact O-CB 3.39Å; K40-K44 WeakPolarHBondContact O-CG 3.18Å; K40-K44 PolarHBondContact O-N 2.87Å
41E84.7Confident80.3Confident105 Ų10579.2 Ų79.249%0.49142%0.415SS..Hα-helixtrans-78.2-34.9-174.7-64.5-55.9135.600111.6D39 K44 E45D39-E41 PolarHBondContact O-N 3.5Å; D39-E41 WeakPolarHBondContact OD1-CA 3.48Å; D39-E41 WeakPolarHBondContact OD1-CB 3.43Å; D39-E41 PolarHBondContact OD1-N 3.47Å; E41-K44 VanDerWaalsContact O-CB 3.31Å; E41-K44 WeakPolarHBondContact O-CB 3.35Å; E41-K44 PolarHBondContact O-N 2.8Å; E41-K44 IonicContact OE1-NZ 2.96Å; E41-E45 WeakPolarHBondContact O-CB 3.49Å; E41-E45 PolarHBondContact O-N 2.97Å
42D84.6Confident81.3Confident63 Ų6377.1 Ų77.134%0.33740%0.4SS..Hα-helixtrans-62.6-45174.4-61.1-47.9000112F38 D39 K44 E45 A46F38-D42 HydrophobicContact CB-CB 4.12Å; F38-D42 HydrophobicContact CD1-CB 3.79Å; F38-D42 HydrophobicContact CG-CB 4.47Å; D39-D42 PolarHBondContact N-OD2 2.93Å; D39-D42 PolarHBondContact O-N 2.85Å; D39-D42 PolarHBondContact OD1-N 2.86Å; D42-K44 VanDerWaalsContact C-N 3.29Å; D42-K44 PolarHBondContact O-N 3.3Å; D42-E45 PolarHBondContact O-N 2.83Å; D42-A46 WeakPolarHBondContact O-CB 3.36Å; D42-A46 PolarHBondContact O-N 2.96Å
43I84.1Confident82.1Confident17 Ų1775.9 Ų75.99%0.08739%0.387CS..Hα-helixtrans-61.1-45.6178.6-64.7160.9000109.9Y15 F19 V26 F38 D39 A46 I47Y15-I43 HydrophobicContact CD2-CB 4.36Å; Y15-I43 HydrophobicContact CD2-CG2 4.01Å; Y15-I43 HydrophobicContact CE2-CB 4.32Å; Y15-I43 HydrophobicContact CE2-CD1 4.09Å; Y15-I43 HydrophobicContact CE2-CG2 4.3Å; F19-I43 HydrophobicContact CD1-CD1 4.36Å; F19-I43 HydrophobicContact CD1-CG2 4.21Å; F19-I43 HydrophobicContact CD2-CG2 4.13Å; F19-I43 HydrophobicContact CE1-CG2 4.09Å; F19-I43 HydrophobicContact CE2-CG2 4.01Å; F19-I43 HydrophobicContact CG-CG2 4.22Å; F19-I43 HydrophobicContact CZ-CG2 3.99Å; V26-I43 HydrophobicContact CB-CD1 3.79Å; V26-I43 HydrophobicContact CG2-CD1 3.37Å; F38-I43 HydrophobicContact CB-CG1 4.05Å; D39-I43 WeakPolarHBondContact O-CD1 3.37Å; D39-I43 WeakPolarHBondContact O-CG1 3.34Å; D39-I43 PolarHBondContact O-N 2.89Å; I43-A46 PolarHBondContact O-N 3.32Å; I43-I47 HydrophobicContact CG2-CD1 3.98Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.49Å; I43-I47 PolarHBondContact O-N 2.86Å
44K84.8Confident83Confident10 Ų1070.6 Ų70.64%0.04337%0.366CS..Hα-helixtrans-58.5-47.5175.9-94.2-174.7-175.1-169.90111.5K11 E12 Y15 K40 E41 D42 I47 G48K11-K44 HydrophobicContact CD-CB 4.28Å; K11-K44 VanDerWaalsContact CD-O 3.24Å; K11-K44 WeakPolarHBondContact CD-O 3.03Å; K11-K44 WeakPolarHBondContact CE-O 3.12Å; K11-K44 HydrophobicContact CG-CB 4.15Å; K11-K44 HydrophobicContact CG-CG 4.04Å; K11-K44 WeakPolarHBondContact CG-O 3.43Å; E12-K44 WeakPolarHBondContact OE1-CE 3.5Å; E12-K44 IonicContact OE1-NZ 3.35Å; E12-K44 PolarHBondContact OE1-NZ 3.03Å; E12-K44 WeakPolarHBondContact OE2-CE 3.35Å; E12-K44 IonicContact OE2-NZ 2.78Å; E12-K44 PolarHBondContact OE2-NZ 3.42Å; Y15-K44 HydrophobicContact CD2-CG 4.06Å; Y15-K44 HydrophobicContact CG-CG 4.14Å; K40-K44 HydrophobicContact CG-CD 4.28Å; K40-K44 VanDerWaalsContact O-CB 3.29Å; K40-K44 WeakPolarHBondContact O-CB 3.39Å; K40-K44 WeakPolarHBondContact O-CG 3.18Å; K40-K44 PolarHBondContact O-N 2.87Å; E41-K44 VanDerWaalsContact O-CB 3.31Å; E41-K44 WeakPolarHBondContact O-CB 3.35Å; E41-K44 PolarHBondContact O-N 2.8Å; E41-K44 IonicContact OE1-NZ 2.96Å; D42-K44 VanDerWaalsContact C-N 3.29Å; D42-K44 PolarHBondContact O-N 3.3Å; K44-I47 PolarHBondContact O-N 3.45Å; K44-G48 PolarHBondContact O-N 3.46Å
45E89.7Confident83.4Confident114 Ų11468.5 Ų68.553%0.53336%0.358SS..Hα-helixtrans-61.5-45.4177.2-176.3172.1-174.600111.1E41 D42 I47 G48 L49E41-E45 WeakPolarHBondContact O-CB 3.49Å; E41-E45 PolarHBondContact O-N 2.97Å; D42-E45 PolarHBondContact O-N 2.83Å; E45-I47 VanDerWaalsContact C-N 3.35Å; E45-I47 PolarHBondContact O-N 2.91Å; E45-G48 PolarHBondContact O-N 3.12Å; E45-G48 VanDerWaalsContact O-N 3.1Å; E45-L49 HydrophobicContact CG-CD1 3.93Å; E45-L49 HydrophobicContact CG-CG 4.21Å; E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 WeakPolarHBondContact O-CG 3.24Å; E45-L49 PolarHBondContact O-N 3.47Å
46A88.4Confident83.9Confident64 Ų6467 Ų6753%0.52935%0.353SS..Hα-helixtrans-59.5-42.5177.200000112.4D42 I43 G50D42-A46 WeakPolarHBondContact O-CB 3.36Å; D42-A46 PolarHBondContact O-N 2.96Å; I43-A46 PolarHBondContact O-N 3.32Å; A46-G50 PolarHBondContact O-N 3.45Å
47I87.7Confident84.2Confident41 Ų4166.4 Ų66.421%0.2135%0.35CS..Hα-helixtrans-60.2-46.7173.6-68.1163.2000110.3K11 I14 F19 I43 K44 E45 G50 A51K11-I47 HydrophobicContact CB-CG2 4.28Å; K11-I47 HydrophobicContact CG-CG2 4.46Å; I14-I47 HydrophobicContact CD1-CG2 4.24Å; I14-I47 HydrophobicContact CG2-CD1 3.87Å; F19-I47 HydrophobicContact CE2-CD1 4.24Å; I43-I47 HydrophobicContact CG2-CD1 3.98Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.49Å; I43-I47 PolarHBondContact O-N 2.86Å; K44-I47 PolarHBondContact O-N 3.45Å; E45-I47 VanDerWaalsContact C-N 3.35Å; E45-I47 PolarHBondContact O-N 2.91Å; I47-G50 PolarHBondContact O-N 2.69Å; I47-A51 WeakPolarHBondContact O-CB 3.33Å; I47-A51 PolarHBondContact O-N 3.24Å
48G88.8Confident84.3Confident5 Ų567.1 Ų67.15%0.05235%0.35CS..Hα-helixtrans-62.2-46.7179.400000112.9K44 E45 A51 K52K44-G48 PolarHBondContact O-N 3.46Å; E45-G48 PolarHBondContact O-N 3.12Å; E45-G48 VanDerWaalsContact O-N 3.1Å; G48-A51 PolarHBondContact O-N 3.15Å; G48-K52 WeakPolarHBondContact O-CB 3.39Å; G48-K52 WeakPolarHBondContact O-CG 3.27Å; G48-K52 PolarHBondContact O-N 3.37Å
49L90.1Very high83.9Confident103 Ų10365.9 Ų65.954%0.53935%0.346SS..Hα-helixtrans-64.9-43.5177.6-71.9176.1000111.7E45 A51 K52 W53E45-L49 HydrophobicContact CG-CD1 3.93Å; E45-L49 HydrophobicContact CG-CG 4.21Å; E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 WeakPolarHBondContact O-CG 3.24Å; E45-L49 PolarHBondContact O-N 3.47Å; L49-A51 PolarHBondContact O-N 3.48Å; L49-K52 PolarHBondContact O-N 3.45Å; L49-W53 WeakPolarHBondContact O-CB 3.44Å; L49-W53 PolarHBondContact O-N 2.98Å
50G89.5Confident83.4Confident38 Ų3868.7 Ų68.739%0.39236%0.356SS..Hα-helixtrans-60.8-44.1176.300000112.4A46 I47 W53 A54A46-G50 PolarHBondContact O-N 3.45Å; I47-G50 PolarHBondContact O-N 2.69Å; G50-W53 PolarHBondContact O-N 3.43Å; G50-A54 WeakPolarHBondContact O-CB 3.48Å; G50-A54 PolarHBondContact O-N 2.87Å
51A87Confident82.8Confident35 Ų3571.9 Ų71.929%0.28938%0.376SS..Hα-helixtrans-63-46.8175.500000112I7 I47 G48 L49 W53 A54 I55I7-A51 HydrophobicContact CG2-CB 4.39Å; I47-A51 WeakPolarHBondContact O-CB 3.33Å; I47-A51 PolarHBondContact O-N 3.24Å; G48-A51 PolarHBondContact O-N 3.15Å; L49-A51 PolarHBondContact O-N 3.48Å; A51-W53 PolarHBondContact O-N 2.93Å; A51-A54 PolarHBondContact O-N 3.06Å; A51-I55 WeakPolarHBondContact O-CB 3.31Å; A51-I55 WeakPolarHBondContact O-CD1 3.48Å; A51-I55 VanDerWaalsContact O-CG1 3.24Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3Å
52K85.7Confident81.9Confident71 Ų7171.8 Ų71.831%0.30938%0.378SS..Hα-helixtrans-59.5-45.8176.6-75.9-177.9178.4-162.60111.8D4 I7 G48 L49 N56D4-K52 WeakPolarHBondContact OD1-CE 3.27Å; D4-K52 IonicContact OD1-NZ 2.58Å; D4-K52 PolarHBondContact OD1-NZ 3.02Å; I7-K52 HydrophobicContact CD1-CG 3.88Å; G48-K52 WeakPolarHBondContact O-CB 3.39Å; G48-K52 WeakPolarHBondContact O-CG 3.27Å; G48-K52 PolarHBondContact O-N 3.37Å; L49-K52 PolarHBondContact O-N 3.45Å; K52-N56 WeakPolarHBondContact O-CB 3.19Å; K52-N56 VanDerWaalsContact O-CG 3.23Å; K52-N56 PolarHBondContact O-N 2.98Å; K52-N56 PolarHBondContact O-ND2 3.37Å
53W87Confident80.9Confident167 Ų16774.4 Ų74.463%0.63338%0.383SS*.Hα-helixtrans-61.8-50.7177.9-179.885.5000111.7L49 G50 A51 I55 N56 E57L49-W53 WeakPolarHBondContact O-CB 3.44Å; L49-W53 PolarHBondContact O-N 2.98Å; G50-W53 PolarHBondContact O-N 3.43Å; A51-W53 PolarHBondContact O-N 2.93Å; W53-I55 VanDerWaalsContact C-N 3.34Å; W53-I55 PolarHBondContact O-N 3.34Å; W53-N56 PolarHBondContact O-N 3.23Å; W53-N56 VanDerWaalsContact O-N 3.15Å; W53-E57 HydrophobicContact CD2-CG 3.97Å; W53-E57 HydrophobicContact CE3-CG 4.36Å; W53-E57 HydrophobicContact CH2-CG 4.01Å; W53-E57 HydrophobicContact CZ2-CG 3.59Å; W53-E57 HydrophobicContact CZ3-CG 4.37Å; W53-E57 PolarHBondContact O-N 2.82Å
54A85.4Confident79.8Confident49 Ų4979.4 Ų79.441%0.40541%0.406SS..Hα-helixtrans-61.6-40.6-178.500000112.4G50 A51 F58G50-A54 WeakPolarHBondContact O-CB 3.48Å; G50-A54 PolarHBondContact O-N 2.87Å; A51-A54 PolarHBondContact O-N 3.06Å; A54-F58 VanDerWaalsContact O-CB 3.31Å; A54-F58 WeakPolarHBondContact O-CB 3.28Å; A54-F58 PolarHBondContact O-N 3.48Å
55I77.5Confident78.5Confident63 Ų6381.8 Ų81.832%0.32343%0.427SS..Hα-helixtrans-67.1-41.8176.1-64.6164.1000110.6I2 I7 A51 W53 F58 I59I2-I55 HydrophobicContact CD1-CB 4.13Å; I2-I55 HydrophobicContact CD1-CG2 3.67Å; I2-I55 HydrophobicContact CG1-CG2 3.7Å; I7-I55 HydrophobicContact CD1-CD1 4.15Å; A51-I55 WeakPolarHBondContact O-CB 3.31Å; A51-I55 WeakPolarHBondContact O-CD1 3.48Å; A51-I55 VanDerWaalsContact O-CG1 3.24Å; A51-I55 WeakPolarHBondContact O-CG1 3.35Å; A51-I55 PolarHBondContact O-N 3Å; W53-I55 VanDerWaalsContact C-N 3.34Å; W53-I55 PolarHBondContact O-N 3.34Å; I55-F58 PolarHBondContact O-N 3.3Å; I55-I59 HydrophobicContact CG2-CD1 3.53Å; I55-I59 HydrophobicContact CG2-CG1 4.18Å; I55-I59 VanDerWaalsContact O-CB 3.28Å; I55-I59 WeakPolarHBondContact O-CB 3.33Å; I55-I59 WeakPolarHBondContact O-CG1 3.31Å; I55-I59 PolarHBondContact O-N 3.15Å
56N77.1Confident76.8Confident75 Ų7581.3 Ų81.340%0.40143%0.427SS..Hα-helixtrans-64-42.7177.3-78.2-25.1000112.3I2 K52 W53 I59 K60I2-N56 VanDerWaalsContact CD1-OD1 3.27Å; I2-N56 WeakPolarHBondContact CD1-OD1 3.41Å; K52-N56 WeakPolarHBondContact O-CB 3.19Å; K52-N56 VanDerWaalsContact O-CG 3.23Å; K52-N56 PolarHBondContact O-N 2.98Å; K52-N56 PolarHBondContact O-ND2 3.37Å; W53-N56 PolarHBondContact O-N 3.23Å; W53-N56 VanDerWaalsContact O-N 3.15Å; N56-I59 PolarHBondContact O-N 3.08Å; N56-K60 VanDerWaalsContact O-CG 3.31Å; N56-K60 WeakPolarHBondContact O-CG 3.41Å; N56-K60 PolarHBondContact O-N 2.88Å
57E79.7Confident75Confident61 Ų6184.9 Ų84.929%0.28544%0.437SS..Hα-helixtrans-63.8-46174.2-71.4-57129.400111.6W53 I59 K60 D61W53-E57 HydrophobicContact CD2-CG 3.97Å; W53-E57 HydrophobicContact CE3-CG 4.36Å; W53-E57 HydrophobicContact CH2-CG 4.01Å; W53-E57 HydrophobicContact CZ2-CG 3.59Å; W53-E57 HydrophobicContact CZ3-CG 4.37Å; W53-E57 PolarHBondContact O-N 2.82Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 3.17Å; E57-K60 WeakPolarHBondContact O-CB 3.32Å; E57-K60 PolarHBondContact O-N 3.29Å; E57-K60 IonicContact OE1-NZ 2.81Å; E57-K60 PolarHBondContact OE1-NZ 3.18Å; E57-D61 PolarHBondContact O-N 3.34Å
58F75.7Confident73.4Confident135 Ų13588.5 Ų88.559%0.59245%0.453SS*.Hα-helixtrans-59.7-40.4175.3-177.2-102.1000112A54 I55 L62A54-F58 VanDerWaalsContact O-CB 3.31Å; A54-F58 WeakPolarHBondContact O-CB 3.28Å; A54-F58 PolarHBondContact O-N 3.48Å; I55-F58 PolarHBondContact O-N 3.3Å; F58-L62 HydrophobicContact CD1-CD1 3.94Å; F58-L62 HydrophobicContact CE1-CD1 3.57Å; F58-L62 HydrophobicContact CE1-CG 4.34Å; F58-L62 HydrophobicContact CZ-CD1 4.24Å; F58-L62 WeakPolarHBondContact O-CG 3.23Å; F58-L62 PolarHBondContact O-N 3.4Å
59I71.7Confident71.7Confident39 Ų3994.2 Ų94.220%0.248%0.483CS..Hα-helixtrans-66.2-43.6176.7-74.7168.6000110.5I2 I55 N56 E57 D61 L62 W63I2-I59 HydrophobicContact CG1-CD1 4.33Å; I55-I59 HydrophobicContact CG2-CD1 3.53Å; I55-I59 HydrophobicContact CG2-CG1 4.18Å; I55-I59 VanDerWaalsContact O-CB 3.28Å; I55-I59 WeakPolarHBondContact O-CB 3.33Å; I55-I59 WeakPolarHBondContact O-CG1 3.31Å; I55-I59 PolarHBondContact O-N 3.15Å; N56-I59 PolarHBondContact O-N 3.08Å; E57-I59 VanDerWaalsContact C-N 3.28Å; E57-I59 PolarHBondContact O-N 3.17Å; I59-D61 VanDerWaalsContact C-N 3.26Å; I59-D61 PolarHBondContact O-N 3.47Å; I59-L62 WeakPolarHBondContact O-CA 3.31Å; I59-L62 WeakPolarHBondContact O-CB 3.35Å; I59-L62 PolarHBondContact O-N 3.39Å; I59-W63 HydrophobicContact CG2-CZ2 4.47Å; I59-W63 PolarHBondContact O-N 3.37Å; I59-W63 PolarHBondContact O-NE1 2.89Å
60K70.2Confident69.9Low122 Ų12291.6 Ų91.653%0.5347%0.472SS..Hα-helixtrans-50.8-45.3176.3-79173.8-172.6173.10112.1N56 E57 L62 W63N56-K60 VanDerWaalsContact O-CG 3.31Å; N56-K60 WeakPolarHBondContact O-CG 3.41Å; N56-K60 PolarHBondContact O-N 2.88Å; E57-K60 WeakPolarHBondContact O-CB 3.32Å; E57-K60 PolarHBondContact O-N 3.29Å; E57-K60 IonicContact OE1-NZ 2.81Å; E57-K60 PolarHBondContact OE1-NZ 3.18Å; K60-L62 PolarHBondContact O-N 3.23Å; K60-W63 PolarHBondContact O-N 3.28Å
61D70Confident68.4Low133 Ų13397.5 Ų97.571%0.71149%0.487SS*.Hα-helixtrans-67.9-18.3178-73.7-16.3000113.8E57 I59E57-D61 PolarHBondContact O-N 3.34Å; I59-D61 VanDerWaalsContact C-N 3.26Å; I59-D61 PolarHBondContact O-N 3.47Å
62L65.8Low66.8Low102 Ų102101.5 Ų101.553%0.53450%0.498SS..Hα-helixtrans-87.6-10.2175.4-64.8175.9000113.4F58 I59 K60F58-L62 HydrophobicContact CD1-CD1 3.94Å; F58-L62 HydrophobicContact CE1-CD1 3.57Å; F58-L62 HydrophobicContact CE1-CG 4.34Å; F58-L62 HydrophobicContact CZ-CD1 4.24Å; F58-L62 WeakPolarHBondContact O-CG 3.23Å; F58-L62 PolarHBondContact O-N 3.4Å; I59-L62 WeakPolarHBondContact O-CA 3.31Å; I59-L62 WeakPolarHBondContact O-CB 3.35Å; I59-L62 PolarHBondContact O-N 3.39Å; K60-L62 PolarHBondContact O-N 3.23Å
63W62.3Low65.2Low118 Ų118106.9 Ų106.945%0.44752%0.517SS..PPolyproline II helixtrans-78.5126.9173.8-63.283.8000109.9I59 K60 E79 Y94I59-W63 HydrophobicContact CG2-CZ2 4.47Å; I59-W63 PolarHBondContact O-N 3.37Å; I59-W63 PolarHBondContact O-NE1 2.89Å; K60-W63 PolarHBondContact O-N 3.28Å; W63-E79 HydrophobicContact CH2-CB 3.77Å; W63-E79 VanDerWaalsContact CH2-OE2 3.31Å; W63-E79 WeakPolarHBondContact CH2-OE2 3.45Å; W63-E79 HydrophobicContact CZ3-CB 4.12Å; W63-Y94 HydrophobicContact CH2-CE1 4.09Å; W63-Y94 HydrophobicContact CZ2-CE1 4.15Å
64H61.1Low63.6Low123 Ų123104.1 Ų104.157%0.56951%0.511SS*.PPolyproline II helixtrans-102.2154.5167.3-64.8-79.3000108.9I66 E68H64-I66 PolarHBondContact O-N 3.14Å; H64-E68 HydrophobicContact CB-CB 4.41Å; H64-E68 IonicContact CG-OE2 2.69Å; H64-E68 IonicContact ND1-OE2 2.86Å; H64-E68 PolarHBondContact ND1-OE2 3.24Å
65A58.6Low62.2Low59 Ų59108.8 Ų108.849%0.48852%0.522SS..PPolyproline II helixtrans-55.5140.5168.400000109D67 E68A65-D67 PolarHBondContact O-N 3.37Å; A65-E68 HydrophobicContact CB-CG 4.36Å; A65-E68 PolarHBondContact O-N 3.35Å
66I53.6Low61.3Low105 Ų105107.2 Ų107.254%0.53852%0.517SS..THydrogen-bonded Turntrans-54.2-28.3177.6-72.2171000111.4H64 W104H64-I66 PolarHBondContact O-N 3.14Å; I66-W104 HydrophobicContact CG2-CH2 4.02Å; I66-W104 HydrophobicContact CG2-CZ2 4.3Å; I66-W104 VanDerWaalsContact O-CH2 3.3Å; I66-W104 WeakPolarHBondContact O-CH2 3.04Å
67D51.5Low60.4Low138 Ų138107.5 Ų107.574%0.73852%0.518SS*.THydrogen-bonded Turntrans-81.7-14.8-179.3-52.6-32.6000113.6A65 N69A65-D67 PolarHBondContact O-N 3.37Å; D67-N69 PolarHBondContact O-N 2.98Å
68E53.6Low59.5Low117 Ų117106.4 Ų106.455%0.54752%0.516SS..SBendtrans-79.6102.2172-76.7-172.6178.500109H64 A65 P70H64-E68 HydrophobicContact CB-CB 4.41Å; H64-E68 IonicContact CG-OE2 2.69Å; H64-E68 IonicContact ND1-OE2 2.86Å; H64-E68 PolarHBondContact ND1-OE2 3.24Å; A65-E68 HydrophobicContact CB-CG 4.36Å; A65-E68 PolarHBondContact O-N 3.35Å; E68-P70 WeakPolarHBondContact O-CD 3.42Å
69N53.4Low58.6Low126 Ų126103.4 Ų103.467%0.67450%0.503SS*.  trans-51.3111174.7-104-5000110.1D67D67-N69 PolarHBondContact O-N 2.98Å
70P52.2Low58.1Low48 Ų48102.5 Ų102.531%0.31250%0.499SS..PPolyproline II helixtrans-66.3149.4176.426.5-31.7000109.1E68 K72 L99E68-P70 WeakPolarHBondContact O-CD 3.42Å; P70-K72 PolarHBondContact O-N 2.86Å; P70-L99 HydrophobicContact CB-CD1 3.69Å; P70-L99 HydrophobicContact CB-CD2 4.43Å; P70-L99 HydrophobicContact CG-CD1 3.47Å; P70-L99 VanDerWaalsContact CG-CD1 3.47Å; P70-L99 HydrophobicContact CG-CD2 3.46Å; P70-L99 VanDerWaalsContact CG-CD2 3.46Å; P70-L99 HydrophobicContact CG-CG 4.09Å
71K56.6Low57.7Low161 Ų16199.5 Ų99.570%0.749%0.492SS*.PPolyproline II helixtrans-55.6126.1179.3-70.7178.6-178.6173.60109.4H74K71-H74 WeakPolarHBondContact CB-CD2 3.32Å; K71-H74 WeakPolarHBondContact O-CB 3.5Å; K71-H74 PolarHBondContact O-CD2 3.02Å; K71-H74 VanDerWaalsContact O-CD2 3.27Å; K71-H74 PolarHBondContact O-N 2.85Å
72K54.2Low57.1Low119 Ų11998.7 Ų98.752%0.51748%0.479SS..THydrogen-bonded Turntrans-50.1143.3178.9-67.7-174.2178.8-179.70110.4P70 H74 E106P70-K72 PolarHBondContact O-N 2.86Å; K72-H74 VanDerWaalsContact C-N 3.25Å; K72-H74 PolarHBondContact O-CD2 3.43Å; K72-H74 PolarHBondContact O-N 3.47Å; K72-E106 IonicContact NZ-OE1 2.86Å; K72-E106 PolarHBondContact NZ-OE1 3.28Å
73Y52.6Low56.7Low184 Ų18498.8 Ų98.872%0.72248%0.477SS*.THydrogen-bonded Turntrans68.18.5178.2-47.5-77.4000116.9T100Y73-T100 HydrophobicContact CD1-CG2 4.45Å; Y73-T100 HydrophobicContact CE1-CG2 4.49Å
74H52.1Low56.5Low109 Ų10997.4 Ų97.451%0.50547%0.471SS..  trans-82.3147.1168.6-73.5-96.1000111.3K71 K72K71-H74 WeakPolarHBondContact CB-CD2 3.32Å; K71-H74 WeakPolarHBondContact O-CB 3.5Å; K71-H74 PolarHBondContact O-CD2 3.02Å; K71-H74 VanDerWaalsContact O-CD2 3.27Å; K71-H74 PolarHBondContact O-N 2.85Å; K72-H74 VanDerWaalsContact C-N 3.25Å; K72-H74 PolarHBondContact O-CD2 3.43Å; K72-H74 PolarHBondContact O-N 3.47Å
75K56.3Low56.1Low147 Ų14795.7 Ų95.764%0.63947%0.471SS*.EExtended strand (participates in β ladder)trans-76.3127.2167.3-70.6-177.8178.7-177.90107.9T96 S97 H98K75-T96 HydrophobicContact CB-CG2 4.23Å; K75-T96 HydrophobicContact CD-CG2 4.3Å; K75-S97 WeakPolarHBondContact CA-O 3.32Å; K75-H98 VanDerWaalsContact CE-CE1 3.46Å; K75-H98 WeakPolarHBondContact CE-CE1 3.43Å; K75-H98 VanDerWaalsContact CE-NE2 3.32Å; K75-H98 WeakPolarHBondContact CE-NE2 3.49Å
76C58Low55.4Low31 Ų31100.7 Ų100.721%0.20949%0.489CS..EExtended strand (participates in β ladder)trans-118.4154.3174.258.80000110.1V78 S97 L99C76-V78 WeakPolarHBondContact SG-CG2 3.43Å; C76-S97 PolarHBondContact N-O 2.93Å; C76-S97 PolarHBondContact O-N 3.5Å; C76-L99 WeakPolarHBondContact SG-CD2 3.09Å; C76-L99 VanDerWaalsContact SG-CG 3.59Å
77L58.3Low55.4Low80 Ų80103.7 Ų103.742%0.41951%0.506SS..EExtended strand (participates in β ladder)trans-91.9122.1169.1-152.7139000106.3Y94L77-Y94 HydrophobicContact CD2-CD1 3.89Å; L77-Y94 HydrophobicContact CD2-CG 4.42Å
78V61Low55.1Low39 Ų39102.5 Ų102.524%0.23650%0.498CS..EExtended strand (participates in β ladder)trans-119.2132.8-176.7-172.60000108.2C76 V80 Y94 V95 F102C76-V78 WeakPolarHBondContact SG-CG2 3.43Å; V78-V80 HydrophobicContact CG1-CG2 4.35Å; V78-Y94 WeakPolarHBondContact O-CA 3.45Å; V78-V95 PolarHBondContact N-O 2.92Å; V78-V95 PolarHBondContact O-N 2.97Å; V78-F102 HydrophobicContact CG2-CD2 4.33Å
79E58.2Low55Low71 Ų71102.5 Ų102.533%0.33251%0.506SS..EExtended strand (participates in β ladder)trans-82.9119.8164.6-177.7175.6162.400108.8W63 I92 D93 Y94W63-E79 HydrophobicContact CH2-CB 3.77Å; W63-E79 VanDerWaalsContact CH2-OE2 3.31Å; W63-E79 WeakPolarHBondContact CH2-OE2 3.45Å; W63-E79 HydrophobicContact CZ3-CB 4.12Å; E79-I92 HydrophobicContact CG-CG2 3.53Å; E79-I92 VanDerWaalsContact OE1-CG2 3.32Å; E79-I92 WeakPolarHBondContact OE1-CG2 3.48Å; E79-D93 WeakPolarHBondContact CA-O 3.47Å; E79-Y94 HydrophobicContact CB-CD1 4.21Å; E79-Y94 HydrophobicContact CB-CE1 3.96Å; E79-Y94 HydrophobicContact CG-CE1 4.01Å
80V61Low54.9Low20 Ų20100.2 Ų100.212%0.12149%0.494CS..EExtended strand (participates in β ladder)trans-106.5120.6177.7-176.70000107.4V78 Y82 I92 D93 V95 F102V78-V80 HydrophobicContact CG1-CG2 4.35Å; V80-Y82 HydrophobicContact CB-CE2 4.33Å; V80-Y82 HydrophobicContact CG1-CD2 4.26Å; V80-Y82 HydrophobicContact CG1-CE1 4.16Å; V80-Y82 HydrophobicContact CG1-CE2 3.82Å; V80-I92 WeakPolarHBondContact O-CA 3.3Å; V80-D93 PolarHBondContact N-O 3.46Å; V80-D93 PolarHBondContact O-N 3.32Å; V80-V95 HydrophobicContact CG2-CG2 4.48Å; V80-F102 HydrophobicContact CG2-CE1 3.9Å; V80-F102 HydrophobicContact CG2-CE2 4.2Å; V80-F102 HydrophobicContact CG2-CZ 3.51Å
81V60.8Low55.1Low60 Ų60102.5 Ų102.536%0.36450%0.5SS..EExtended strand (participates in β ladder)trans-98.6114.3172.9-175.40000108H83 D90V81-H83 PolarHBondContact O-N 3.03Å; V81-D90 HydrophobicContact CG1-CB 3.9Å
82Y58.7Low55.1Low115 Ų11599.3 Ų99.345%0.45149%0.489SS..EExtended strand (participates in β ladder)trans-87.7103.1170-62.9-83.5000108.7V80 R84 E91 D93V80-Y82 HydrophobicContact CB-CE2 4.33Å; V80-Y82 HydrophobicContact CG1-CD2 4.26Å; V80-Y82 HydrophobicContact CG1-CE1 4.16Å; V80-Y82 HydrophobicContact CG1-CE2 3.82Å; Y82-R84 PolarHBondContact O-N 3.38Å; Y82-E91 HydrophobicContact CD2-CB 4.32Å; Y82-E91 PolarHBondContact N-O 3.05Å; Y82-E91 PolarHBondContact O-N 2.71Å; Y82-D93 HydrophobicContact CE2-CB 4.2Å
83H57.5Low54.9Low105 Ų10596.7 Ų96.749%0.48648%0.481SS..PPolyproline II helixtrans-66.8116.3169.8-68.2-55000109.5V81 D90V81-H83 PolarHBondContact O-N 3.03Å; H83-D90 WeakPolarHBondContact CA-OD1 3.35Å; H83-D90 IonicContact CE1-OD2 2.89Å; H83-D90 IonicContact ND1-OD1 3.87Å; H83-D90 PolarHBondContact ND1-OD1 3.18Å; H83-D90 IonicContact ND1-OD2 3.18Å; H83-D90 PolarHBondContact ND1-OD2 3.46Å
84R57.5Low55.2Low88 Ų8892.4 Ų92.433%0.33246%0.464SS..PPolyproline II helixtrans-93.8159.1172-77.4-161.9-88.6-132.5-13.5109.9Y82 M88 T89 E91Y82-R84 PolarHBondContact O-N 3.38Å; R84-M88 HydrophobicContact CB-CB 3.75Å; R84-T89 PolarHBondContact NE-O 3.22Å; R84-T89 VanDerWaalsContact NE-O 3.14Å; R84-T89 PolarHBondContact NH2-O 2.89Å; R84-E91 IonicContact CZ-OE2 2.71Å; R84-E91 IonicContact NH1-OE2 3.96Å; R84-E91 PolarHBondContact NH1-OE2 3.1Å; R84-E91 IonicContact NH2-OE2 2.79Å; R84-E91 PolarHBondContact NH2-OE2 3.46Å
85P51.8Low55.4Low88 Ų8889.6 Ų89.657%0.57146%0.455SS*.SBendtrans-51.7151.1178.3-25.533.5000112.4N87 M88P85-N87 PolarHBondContact O-N 3.19Å; P85-M88 PolarHBondContact O-N 2.96Å; P85-M88 VanDerWaalsContact O-N 3.1Å
86L44.6Very low54.9Low163 Ų16387.1 Ų87.185%0.85345%0.452SS*.THydrogen-bonded Turntrans-43.1123.7177.7-70.3165.1000110.6
87N53.5Low54.6Low169 Ų16986 Ų8690%0.90445%0.445SS*.THydrogen-bonded Turntrans93.311.1-176-49.7-29.7000117.4P85P85-N87 PolarHBondContact O-N 3.19Å
88M45.7Very low54Low113 Ų11386.3 Ų86.356%0.55744%0.444SS*.SBendtrans-117.1148.1163.4-69.9-173.173.400111.1R84 P85R84-M88 HydrophobicContact CB-CB 3.75Å; P85-M88 PolarHBondContact O-N 2.96Å; P85-M88 VanDerWaalsContact O-N 3.1Å
89T52.2Low53.2Low117 Ų11785.1 Ų85.172%0.71844%0.436SS*.PPolyproline II helixtrans-68.7134.9173.352.60000109.7R84R84-T89 PolarHBondContact NE-O 3.22Å; R84-T89 VanDerWaalsContact NE-O 3.14Å; R84-T89 PolarHBondContact NH2-O 2.89Å
90D51.1Low52.4Low78 Ų7885.3 Ų85.342%0.41744%0.442SS..PPolyproline II helixtrans-51.6144.1168.7-68.9-24.7000110.1V81 H83V81-D90 HydrophobicContact CG1-CB 3.9Å; H83-D90 WeakPolarHBondContact CA-OD1 3.35Å; H83-D90 IonicContact CE1-OD2 2.89Å; H83-D90 IonicContact ND1-OD1 3.87Å; H83-D90 PolarHBondContact ND1-OD1 3.18Å; H83-D90 IonicContact ND1-OD2 3.18Å; H83-D90 PolarHBondContact ND1-OD2 3.46Å
91E56.6Low51.4Low95 Ų9590.2 Ų90.244%0.44447%0.468SS..EExtended strand (participates in β ladder)trans-101.2125.6172.6-161.1164.3145.600108.6Y82 R84Y82-E91 HydrophobicContact CD2-CB 4.32Å; Y82-E91 PolarHBondContact N-O 3.05Å; Y82-E91 PolarHBondContact O-N 2.71Å; R84-E91 IonicContact CZ-OE2 2.71Å; R84-E91 IonicContact NH1-OE2 3.96Å; R84-E91 PolarHBondContact NH1-OE2 3.1Å; R84-E91 IonicContact NH2-OE2 2.79Å; R84-E91 PolarHBondContact NH2-OE2 3.46Å
92I54.7Low50.5Low94 Ų9490 Ų9048%0.48246%0.462SS..EExtended strand (participates in β ladder)trans-105.7123.4178.2-58.1176.9000107.9E79 V80 Y94E79-I92 HydrophobicContact CG-CG2 3.53Å; E79-I92 VanDerWaalsContact OE1-CG2 3.32Å; E79-I92 WeakPolarHBondContact OE1-CG2 3.48Å; V80-I92 WeakPolarHBondContact O-CA 3.3Å; I92-Y94 HydrophobicContact CG2-CE2 4.34Å
93D51.9Low49.6Very low65 Ų6584.8 Ų84.835%0.34844%0.443SS..EExtended strand (participates in β ladder)trans-125.9151.8174.8-162.16.3000111.9E79 V80 Y82E79-D93 WeakPolarHBondContact CA-O 3.47Å; V80-D93 PolarHBondContact N-O 3.46Å; V80-D93 PolarHBondContact O-N 3.32Å; Y82-D93 HydrophobicContact CE2-CB 4.2Å
94Y57.4Low48.5Very low93 Ų9384.5 Ų84.537%0.36544%0.438SS..EExtended strand (participates in β ladder)trans-116.497.3-178.6-66.1-78.2000110.8W63 L77 V78 E79 I92W63-Y94 HydrophobicContact CH2-CE1 4.09Å; W63-Y94 HydrophobicContact CZ2-CE1 4.15Å; L77-Y94 HydrophobicContact CD2-CD1 3.89Å; L77-Y94 HydrophobicContact CD2-CG 4.42Å; V78-Y94 WeakPolarHBondContact O-CA 3.45Å; E79-Y94 HydrophobicContact CB-CD1 4.21Å; E79-Y94 HydrophobicContact CB-CE1 3.96Å; E79-Y94 HydrophobicContact CG-CE1 4.01Å; I92-Y94 HydrophobicContact CG2-CE2 4.34Å
95V56.9Low47.6Very low50 Ų5083.8 Ų83.830%0.30344%0.441SS..EExtended strand (participates in β ladder)trans-105.1136.8-174.4-169.80000110.6V78 V80 S97V78-V95 PolarHBondContact N-O 2.92Å; V78-V95 PolarHBondContact O-N 2.97Å; V80-V95 HydrophobicContact CG2-CG2 4.48Å; V95-S97 PolarHBondContact O-N 2.94Å
96T45.8Very low46.7Very low96 Ų9686.9 Ų86.959%0.58945%0.448SS*.EExtended strand (participates in β ladder)trans-79.8113.4164.8-56.60000108.3K75K75-T96 HydrophobicContact CB-CG2 4.23Å; K75-T96 HydrophobicContact CD-CG2 4.3Å
97S52.4Low46.2Very low8 Ų883 Ų836%0.05643%0.434CS..EExtended strand (participates in β ladder)trans-119.7145.9-178.1-161.10000111.4K75 C76 V95 F102K75-S97 WeakPolarHBondContact CA-O 3.32Å; C76-S97 PolarHBondContact N-O 2.93Å; C76-S97 PolarHBondContact O-N 3.5Å; V95-S97 PolarHBondContact O-N 2.94Å; S97-F102 VanDerWaalsContact CB-CD2 3.41Å; S97-F102 WeakPolarHBondContact OG-CD2 3.27Å; S97-F102 WeakPolarHBondContact OG-CE2 3.22Å
98H45.4Very low45.5Very low86 Ų8676.1 Ų76.140%0.39840%0.399SS..EExtended strand (participates in β ladder)trans-73.2129.1155-72.1-84.8000105.9K75 T100 N101K75-H98 VanDerWaalsContact CE-CE1 3.46Å; K75-H98 WeakPolarHBondContact CE-CE1 3.43Å; K75-H98 VanDerWaalsContact CE-NE2 3.32Å; K75-H98 WeakPolarHBondContact CE-NE2 3.49Å; H98-T100 WeakPolarHBondContact CB-OG1 3.46Å; H98-T100 PolarHBondContact O-N 2.9Å; H98-N101 PolarHBondContact O-N 2.9Å
99L44Very low44.9Very low13 Ų1374.6 Ų74.67%0.06839%0.39CS..THydrogen-bonded Turntrans-50.5-19.2178-75.2155.9000114P70 C76 N101 W104P70-L99 HydrophobicContact CB-CD1 3.69Å; P70-L99 HydrophobicContact CB-CD2 4.43Å; P70-L99 HydrophobicContact CG-CD1 3.47Å; P70-L99 VanDerWaalsContact CG-CD1 3.47Å; P70-L99 HydrophobicContact CG-CD2 3.46Å; P70-L99 VanDerWaalsContact CG-CD2 3.46Å; P70-L99 HydrophobicContact CG-CG 4.09Å; C76-L99 WeakPolarHBondContact SG-CD2 3.09Å; C76-L99 VanDerWaalsContact SG-CG 3.59Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.42Å; L99-W104 HydrophobicContact CB-CB 4.34Å; L99-W104 HydrophobicContact CD2-CB 4.12Å; L99-W104 HydrophobicContact CD2-CG 4.08Å; L99-W104 PolarHBondContact O-N 3.04Å
100T40.9Very low44Very low75 Ų7573.9 Ų73.946%0.4638%0.377SS..THydrogen-bonded Turntrans-63.3-23.5171.359.30000114.4Y73 H98Y73-T100 HydrophobicContact CD1-CG2 4.45Å; Y73-T100 HydrophobicContact CE1-CG2 4.49Å; H98-T100 WeakPolarHBondContact CB-OG1 3.46Å; H98-T100 PolarHBondContact O-N 2.9Å
101N40.8Very low43.1Very low124 Ų12476.8 Ų76.866%0.66338%0.382SS*.THydrogen-bonded Turntrans-96.3-19.9-174.2-71.77.1000113.9H98 L99 G103H98-N101 PolarHBondContact O-N 2.9Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.42Å; N101-G103 VanDerWaalsContact C-N 3.31Å
102F40.9Very low42.1Very low54 Ų5472.7 Ų72.724%0.23736%0.364CS..THydrogen-bonded Turntrans-100.826.2168.8-76.4-68.7000111.8V78 V80 S97 W104 F109V78-F102 HydrophobicContact CG2-CD2 4.33Å; V80-F102 HydrophobicContact CG2-CE1 3.9Å; V80-F102 HydrophobicContact CG2-CE2 4.2Å; V80-F102 HydrophobicContact CG2-CZ 3.51Å; S97-F102 VanDerWaalsContact CB-CD2 3.41Å; S97-F102 WeakPolarHBondContact OG-CD2 3.27Å; S97-F102 WeakPolarHBondContact OG-CE2 3.22Å; F102-W104 VanDerWaalsContact C-N 3.27Å; F102-W104 PolarHBondContact O-N 3.33Å; F102-W104 VanDerWaalsContact O-N 3.14Å; F102-F109 WeakPolarHBondContact O-CD2 3.46Å; F102-F109 WeakPolarHBondContact O-CG 3.11Å
103G39.3Very low41.2Very low6 Ų673 Ų736%0.06237%0.366CS..THydrogen-bonded Turntrans58.325.3172.600000117.6N101 D105 S108 F109N101-G103 VanDerWaalsContact C-N 3.31Å; G103-D105 PolarHBondContact O-N 3.23Å; G103-S108 WeakPolarHBondContact CA-OG 3.46Å; G103-S108 CarbonylContact O-C 3.21Å; G103-S108 PolarHBondContact O-N 2.83Å; G103-S108 PolarHBondContact O-OG 2.92Å; G103-F109 WeakPolarHBondContact O-CA 3.48Å; G103-F109 PolarHBondContact O-N 3.38Å
104W35.3Very low40.7Very low99 Ų9970.7 Ų70.738%0.37535%0.353SS..THydrogen-bonded Turntrans-76.531.5167.2-68.182.9000112.3I66 L99 F102I66-W104 HydrophobicContact CG2-CH2 4.02Å; I66-W104 HydrophobicContact CG2-CZ2 4.3Å; I66-W104 VanDerWaalsContact O-CH2 3.3Å; I66-W104 WeakPolarHBondContact O-CH2 3.04Å; L99-W104 HydrophobicContact CB-CB 4.34Å; L99-W104 HydrophobicContact CD2-CB 4.12Å; L99-W104 HydrophobicContact CD2-CG 4.08Å; L99-W104 PolarHBondContact O-N 3.04Å; F102-W104 VanDerWaalsContact C-N 3.27Å; F102-W104 PolarHBondContact O-N 3.33Å; F102-W104 VanDerWaalsContact O-N 3.14Å
105D37.4Very low39.7Very low74 Ų7468.7 Ų68.740%0.39635%0.35SS..THydrogen-bonded Turntrans-76.5154.9147.870.830.1000107G103 S107 S108G103-D105 PolarHBondContact O-N 3.23Å; D105-S107 PolarHBondContact O-N 3.47Å; D105-S107 VanDerWaalsContact OD1-C 3.25Å; D105-S107 VanDerWaalsContact OD1-CA 3.25Å; D105-S107 WeakPolarHBondContact OD1-CA 3.42Å; D105-S107 WeakPolarHBondContact OD1-CB 3.47Å; D105-S107 PolarHBondContact OD1-N 3.17Å; D105-S107 PolarHBondContact OD1-OG 3.27Å; D105-S108 PolarHBondContact O-N 3.27Å; D105-S108 WeakPolarHBondContact OD1-CB 3.46Å; D105-S108 PolarHBondContact OD1-N 2.81Å; D105-S108 PolarHBondContact OD1-OG 3.49Å; D105-S108 PolarHBondContact OD2-OG 3.01Å
106E33.2Very low39.1Very low152 Ų15266.5 Ų66.571%0.7134%0.337SS*.THydrogen-bonded Turntrans-57.7-1.5-178.8-72.6157.7-15000113.7K72K72-E106 IonicContact NZ-OE1 2.86Å; K72-E106 PolarHBondContact NZ-OE1 3.28Å
107S35.4Very low38.8Very low81 Ų8170.7 Ų70.757%0.56635%0.347SS*.THydrogen-bonded Turntrans-116.1-18.6-175.337.50000116.9D105D105-S107 PolarHBondContact O-N 3.47Å; D105-S107 VanDerWaalsContact OD1-C 3.25Å; D105-S107 VanDerWaalsContact OD1-CA 3.25Å; D105-S107 WeakPolarHBondContact OD1-CA 3.42Å; D105-S107 WeakPolarHBondContact OD1-CB 3.47Å; D105-S107 PolarHBondContact OD1-N 3.17Å; D105-S107 PolarHBondContact OD1-OG 3.27Å
108S38.4Very low38.6Very low25 Ų2573.7 Ų73.718%0.17536%0.357CS..THydrogen-bonded Turntrans-118.4-13.6-164.143.80000117.2G103 D105G103-S108 WeakPolarHBondContact CA-OG 3.46Å; G103-S108 CarbonylContact O-C 3.21Å; G103-S108 PolarHBondContact O-N 2.83Å; G103-S108 PolarHBondContact O-OG 2.92Å; D105-S108 PolarHBondContact O-N 3.27Å; D105-S108 WeakPolarHBondContact OD1-CB 3.46Å; D105-S108 PolarHBondContact OD1-N 2.81Å; D105-S108 PolarHBondContact OD1-OG 3.49Å; D105-S108 PolarHBondContact OD2-OG 3.01Å
109F32.2Very low39.5Very low82 Ų8272.3 Ų72.336%0.3636%0.357SS..  trans-142.372.4158.5-93.8-99.6000103.4F102 G103 R111 A132F102-F109 WeakPolarHBondContact O-CD2 3.46Å; F102-F109 WeakPolarHBondContact O-CG 3.11Å; G103-F109 WeakPolarHBondContact O-CA 3.48Å; G103-F109 PolarHBondContact O-N 3.38Å; F109-R111 PolarHBondContact O-N 3.46Å; F109-A132 HydrophobicContact CD1-CB 4.06Å; F109-A132 HydrophobicContact CE1-CB 3.7Å
110K34.2Very low40.5Very low102 Ų10273.8 Ų73.844%0.44338%0.375SS..  trans-56110.9130.6-70.7-172.9-173.1-178.90101.8S112 E136K110-S112 PolarHBondContact O-N 2.98Å; K110-E136 IonicContact NZ-OE2 2.73Å; K110-E136 PolarHBondContact NZ-OE2 2.8Å
111R32.8Very low41.8Very low139 Ų13975.5 Ų75.553%0.52538%0.376SS..  trans-47.795.2136.1-162.5-176.8-152.8174.76.2100.5F109 D113F109-R111 PolarHBondContact O-N 3.46Å; R111-D113 WeakPolarHBondContact CD-OD1 3.4Å; R111-D113 PolarHBondContact O-N 3.39Å
112S34.8Very low43.1Very low9 Ų972.4 Ų72.46%0.06336%0.362CS..  trans-68.890.4173.252.9000098.4K110 Y114K110-S112 PolarHBondContact O-N 2.98Å; S112-Y114 VanDerWaalsContact CB-CD2 3.48Å; S112-Y114 PolarHBondContact O-N 2.8Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.43Å
113D35.9Very low44.2Very low100 Ų10070.2 Ų70.254%0.53535%0.352SS..  trans-62.473163.7-74.8-40.5000103.2R111 T115R111-D113 WeakPolarHBondContact CD-OD1 3.4Å; R111-D113 PolarHBondContact O-N 3.39Å; D113-T115 PolarHBondContact O-N 3.47Å; D113-T115 PolarHBondContact OD1-OG1 2.64Å
114Y40.8Very low45.7Very low16 Ų1674.6 Ų74.66%0.06337%0.373CS..  trans-65.644.6139.8-73.5-83.9000107.6S112 I116 T122 F123 E136 A139 K140 H155S112-Y114 VanDerWaalsContact CB-CD2 3.48Å; S112-Y114 PolarHBondContact O-N 2.8Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.43Å; Y114-I116 PolarHBondContact O-N 3.19Å; Y114-T122 WeakPolarHBondContact O-CA 3.43Å; Y114-F123 PolarHBondContact O-N 2.99Å; Y114-E136 PolarHBondContact OH-O 3.48Å; Y114-A139 HydrophobicContact CD2-CB 3.95Å; Y114-A139 HydrophobicContact CE2-CB 3.29Å; Y114-K140 HydrophobicContact CE1-CG 4.44Å; Y114-K140 WeakPolarHBondContact OH-CE 3.27Å; Y114-K140 WeakPolarHBondContact OH-CG 3.42Å; Y114-H155 HydrophobicContact CD1-CB 4Å; Y114-H155 AromaticContact CD1-CG 3.76Å; Y114-H155 HydrophobicContact CE1-CB 4.28Å; Y114-H155 AromaticContact CE1-CD2 3.61Å; Y114-H155 AromaticContact CE1-CE1 3.63Å; Y114-H155 AromaticContact CE1-CG 3.53Å; Y114-H155 AromaticContact CE1-ND1 3.52Å; Y114-H155 AromaticContact CE1-NE2 3.65Å
115T37.3Very low47.2Very low51 Ų5171.7 Ų71.731%0.31336%0.364SS..BIsolated β-bridgetrans-86.5101.7164.6-59.20000102.6D113 K117D113-T115 PolarHBondContact O-N 3.47Å; D113-T115 PolarHBondContact OD1-OG1 2.64Å; T115-K117 PolarHBondContact O-N 3.14Å
116I43.6Very low48.8Very low5 Ų576.6 Ų76.63%0.02638%0.384CS..  trans-57.3124.7-178.6-63.7156.6000108.2Y114 R118 C119 G120 K121 W148 H155 Y156 C157Y114-I116 PolarHBondContact O-N 3.19Å; I116-R118 HydrophobicContact CG2-CB 3.72Å; I116-R118 PolarHBondContact O-N 2.89Å; I116-C119 PolarHBondContact O-N 2.67Å; I116-G120 WeakPolarHBondContact O-CA 3.16Å; I116-G120 PolarHBondContact O-N 2.66Å; I116-K121 PolarHBondContact N-O 2.67Å; I116-W148 HydrophobicContact CD1-CE3 3.94Å; I116-W148 HydrophobicContact CD1-CH2 3.16Å; I116-W148 HydrophobicContact CD1-CZ2 3.9Å; I116-W148 HydrophobicContact CD1-CZ3 3.22Å; I116-W148 HydrophobicContact CG1-CE3 4.05Å; I116-W148 HydrophobicContact CG1-CH2 3.53Å; I116-W148 HydrophobicContact CG1-CZ3 3.17Å; I116-H155 WeakPolarHBondContact CG2-O 2.98Å; I116-Y156 HydrophobicContact CG2-CD1 4.37Å; I116-C157 HydrophobicContact CD1-CB 3.27Å; I116-C157 VanDerWaalsContact CD1-SG 3.57Å
117K39.9Very low50.3Low184 Ų18477.4 Ų77.480%0.839%0.386SS*.THydrogen-bonded Turntrans-56.6-16.8177.6-68.1-165.4175.8-174.80113.6T115T115-K117 PolarHBondContact O-N 3.14Å
118R48.8Very low51.6Low71 Ų7177.5 Ų77.527%0.26838%0.38SS..THydrogen-bonded Turntrans-85.4-55.8-179.7-168.4176.6174.8-172.42.2114.2I116 Y156 C160 K173 K174I116-R118 HydrophobicContact CG2-CB 3.72Å; I116-R118 PolarHBondContact O-N 2.89Å; R118-Y156 HydrophobicContact CB-CD1 4.48Å; R118-Y156 HydrophobicContact CB-CE1 4.48Å; R118-C160 VanDerWaalsContact NH1-C 3.25Å; R118-C160 PolarHBondContact NH1-O 3.33Å; R118-K173 VanDerWaalsContact NH1-C 3.35Å; R118-K173 PolarHBondContact NH1-O 2.91Å; R118-K173 PolarHBondContact NH2-O 3.39Å; R118-K174 PolarHBondContact NH2-O 2.86Å
119C64.4Low52.9Low57 Ų5777.5 Ų77.539%0.38538%0.384SS..THydrogen-bonded Turntrans-110.6-13-174.563.10000114.4I116 K121 C160I116-C119 PolarHBondContact O-N 2.67Å; C119-K121 HydrophobicContact CB-CG 4.42Å; C119-K121 PolarHBondContact O-N 3.18Å; C119-K121 PolarHBondContact SG-N 2.91Å; C119-C160 VanDerWaalsContact SG-SG 3.64Å
120G63.5Low54.4Low44 Ų4476.6 Ų76.645%0.45438%0.382SS..  trans72.75.8-175.600000114.9I116I116-G120 WeakPolarHBondContact O-CA 3.16Å; I116-G120 PolarHBondContact O-N 2.66Å
121K69.4Low55.7Low110 Ų11074.6 Ų74.648%0.47838%0.378SS..PPolyproline II helixtrans-69139.3171.8-65.6-178-179.7-177.10109.6I116 C119 D159I116-K121 PolarHBondContact N-O 2.67Å; C119-K121 HydrophobicContact CB-CG 4.42Å; C119-K121 PolarHBondContact O-N 3.18Å; C119-K121 PolarHBondContact SG-N 2.91Å; K121-D159 IonicContact NZ-OD2 3.72Å; K121-D159 PolarHBondContact NZ-OD2 3.21Å
122T66.9Low56.8Low60 Ų6069.4 Ų69.437%0.36837%0.365SS..BIsolated β-bridgetrans-94140.7172.3-50.80000109.2Y114 I124Y114-T122 WeakPolarHBondContact O-CA 3.43Å; T122-I124 PolarHBondContact O-N 3.18Å
123F64.5Low58Low8 Ų869.7 Ų69.74%0.03537%0.365CS..PPolyproline II helixtrans-65129.6169.7175.8-122.3000109.9Y114 W133 Q142 A143 W148Y114-F123 PolarHBondContact O-N 2.99Å; F123-W133 AromaticContact CD1-CH2 3.16Å; F123-W133 HydrophobicContact CD1-CH2 3.16Å; F123-W133 AromaticContact CD1-CZ2 3.53Å; F123-W133 HydrophobicContact CD1-CZ2 3.53Å; F123-W133 HydrophobicContact CD1-CZ3 4Å; F123-W133 AromaticContact CE1-CH2 3.55Å; F123-W133 HydrophobicContact CE1-CH2 3.55Å; F123-W133 AromaticContact CE1-CZ2 3.37Å; F123-W133 HydrophobicContact CE1-CZ2 3.37Å; F123-W133 HydrophobicContact CG-CH2 4.16Å; F123-Q142 HydrophobicContact CE1-CB 3.96Å; F123-Q142 HydrophobicContact CZ-CB 4.28Å; F123-Q142 WeakPolarHBondContact CZ-O 3.48Å; F123-A143 HydrophobicContact CD1-CB 4.27Å; F123-A143 HydrophobicContact CE1-CB 4.35Å; F123-W148 HydrophobicContact CB-CH2 3.81Å; F123-W148 HydrophobicContact CB-CZ2 3.77Å; F123-W148 HydrophobicContact CB-CZ3 4.2Å; F123-W148 AromaticContact CD2-CD1 3.98Å; F123-W148 HydrophobicContact CD2-CD2 4.38Å; F123-W148 AromaticContact CD2-CE2 3.85Å; F123-W148 HydrophobicContact CD2-CG 4.49Å; F123-W148 HydrophobicContact CD2-CZ2 4.25Å; F123-W148 AromaticContact CD2-NE1 3.59Å
124I70.4Confident58.7Low97 Ų9771.1 Ų71.150%0.49737%0.372SS..  trans-121.4123.3175.1-52.6171.7000106.1T122 E126 V131T122-I124 PolarHBondContact O-N 3.18Å; I124-E126 PolarHBondContact O-N 3.37Å; I124-V131 HydrophobicContact CB-CG1 4.31Å; I124-V131 HydrophobicContact CG1-CG1 3.83Å; I124-V131 HydrophobicContact CG2-CG1 4.14Å
125E66.7Low59.6Low38 Ų3873.7 Ų73.718%0.17839%0.387CS..BIsolated β-bridgetrans-68.1115.8170.1-165.6-76.811500108.5F127 N128 G129 I130 W133E125-F127 VanDerWaalsContact C-N 3.29Å; E125-F127 PolarHBondContact O-N 2.79Å; E125-F127 WeakPolarHBondContact OE1-CA 2.96Å; E125-F127 WeakPolarHBondContact OE1-CB 3.41Å; E125-F127 PolarHBondContact OE1-N 3.29Å; E125-N128 VanDerWaalsContact OE2-CB 3.3Å; E125-N128 WeakPolarHBondContact OE2-CB 3.37Å; E125-N128 PolarHBondContact OE2-N 2.82Å; E125-N128 PolarHBondContact OE2-ND2 3.28Å; E125-G129 WeakPolarHBondContact O-CA 3.3Å; E125-G129 PolarHBondContact O-N 2.93Å; E125-I130 HydrophobicContact CB-CB 3.99Å; E125-I130 PolarHBondContact N-O 2.83Å; E125-W133 HydrophobicContact CB-CZ2 4.35Å
126E72Confident60.9Low178 Ų17874.9 Ų74.983%0.83239%0.388SS*.THydrogen-bonded Turntrans-66.4-27-167.9-65.4-172.2169.100113.9I124I124-E126 PolarHBondContact O-N 3.37Å
127F64.4Low62.2Low169 Ų16976.2 Ų76.274%0.74140%0.404SS*.THydrogen-bonded Turntrans-75-42.8-174.9-169.3-103.9000112.5E125E125-F127 VanDerWaalsContact C-N 3.29Å; E125-F127 PolarHBondContact O-N 2.79Å; E125-F127 WeakPolarHBondContact OE1-CA 2.96Å; E125-F127 WeakPolarHBondContact OE1-CB 3.41Å; E125-F127 PolarHBondContact OE1-N 3.29Å
128N62.4Low63.6Low83 Ų8370 Ų7044%0.44438%0.381SS..THydrogen-bonded Turntrans-115.8-6.5-177.1-56.6-64.1000114.3E125 I130E125-N128 VanDerWaalsContact OE2-CB 3.3Å; E125-N128 WeakPolarHBondContact OE2-CB 3.37Å; E125-N128 PolarHBondContact OE2-N 2.82Å; E125-N128 PolarHBondContact OE2-ND2 3.28Å; N128-I130 VanDerWaalsContact C-N 3.32Å; N128-I130 HydrophobicContact CB-CD1 3.78Å; N128-I130 HydrophobicContact CB-CG1 3.81Å
129G65.8Low64.5Low25 Ų2566.6 Ų66.626%0.25837%0.368SS..THydrogen-bonded Turntrans71.725.4-174.500000113.4E125 V131E125-G129 WeakPolarHBondContact O-CA 3.3Å; E125-G129 PolarHBondContact O-N 2.93Å; G129-V131 PolarHBondContact O-N 2.87Å
130I63.8Low64.8Low63 Ų6366.4 Ų66.432%0.32336%0.361SS..BIsolated β-bridgetrans-72.9129-178.9-65163.1000109.3E125 N128 A132 W133E125-I130 HydrophobicContact CB-CB 3.99Å; E125-I130 PolarHBondContact N-O 2.83Å; N128-I130 VanDerWaalsContact C-N 3.32Å; N128-I130 HydrophobicContact CB-CD1 3.78Å; N128-I130 HydrophobicContact CB-CG1 3.81Å; I130-A132 WeakPolarHBondContact CG2-O 3.32Å; I130-W133 HydrophobicContact CG2-CZ2 4.18Å
131V61.3Low65.4Low60 Ų6070.1 Ų70.136%0.36437%0.366SS..  trans-119.62.3178.2-610000113.2I124 G129 W133I124-V131 HydrophobicContact CB-CG1 4.31Å; I124-V131 HydrophobicContact CG1-CG1 3.83Å; I124-V131 HydrophobicContact CG2-CG1 4.14Å; G129-V131 PolarHBondContact O-N 2.87Å; V131-W133 VanDerWaalsContact C-CZ3 3.42Å
132A56.5Low65.7Low29 Ų2967.7 Ų67.724%0.2436%0.357CS..  trans-145.8140.4-176.700000110.5F109 I130F109-A132 HydrophobicContact CD1-CB 4.06Å; F109-A132 HydrophobicContact CE1-CB 3.7Å; I130-A132 WeakPolarHBondContact CG2-O 3.32Å
133W59.6Low66.1Low15 Ų1564.9 Ų64.96%0.05734%0.34CS..  trans-123152.1-178.5-67.7-96.3000110.2F123 E125 I130 V131 D135 A139F123-W133 AromaticContact CD1-CH2 3.16Å; F123-W133 HydrophobicContact CD1-CH2 3.16Å; F123-W133 AromaticContact CD1-CZ2 3.53Å; F123-W133 HydrophobicContact CD1-CZ2 3.53Å; F123-W133 HydrophobicContact CD1-CZ3 4Å; F123-W133 AromaticContact CE1-CH2 3.55Å; F123-W133 HydrophobicContact CE1-CH2 3.55Å; F123-W133 AromaticContact CE1-CZ2 3.37Å; F123-W133 HydrophobicContact CE1-CZ2 3.37Å; F123-W133 HydrophobicContact CG-CH2 4.16Å; E125-W133 HydrophobicContact CB-CZ2 4.35Å; I130-W133 HydrophobicContact CG2-CZ2 4.18Å; V131-W133 VanDerWaalsContact C-CZ3 3.42Å; W133-D135 WeakPolarHBondContact CB-O 3.47Å; W133-D135 PolarHBondContact O-N 3.28Å; W133-A139 HydrophobicContact CB-CB 3.87Å; W133-A139 HydrophobicContact CD2-CB 3.62Å; W133-A139 HydrophobicContact CE3-CB 3.79Å; W133-A139 HydrophobicContact CG-CB 3.64Å
134L49.8Very low66.6Low130 Ų13069.5 Ų69.568%0.68136%0.363SS*.SBendtrans-65.1-26.7176-70.1170.1000112.5
135D60.8Low67Low71 Ų7172.9 Ų72.938%0.3838%0.377SS..SBendtrans-147.2157.3-179.672.993.1000111.9W133 G137 T138 A139W133-D135 WeakPolarHBondContact CB-O 3.47Å; W133-D135 PolarHBondContact O-N 3.28Å; D135-G137 VanDerWaalsContact C-N 3.32Å; D135-G137 PolarHBondContact O-N 2.85Å; D135-G137 WeakPolarHBondContact OD1-CA 3.27Å; D135-G137 PolarHBondContact OD1-N 3.01Å; D135-T138 VanDerWaalsContact CG-OG1 3.32Å; D135-T138 PolarHBondContact OD1-N 2.88Å; D135-T138 PolarHBondContact OD1-OG1 2.86Å; D135-T138 WeakPolarHBondContact OD2-CB 3.48Å; D135-T138 PolarHBondContact OD2-OG1 2.63Å; D135-A139 PolarHBondContact O-N 3.32Å
136E64.2Low67.6Low75 Ų7573.5 Ų73.535%0.3539%0.385SS..Hα-helixtrans-66.7-32.1-177.9-176-179.615100112.8K110 Y114 A139 K140K110-E136 IonicContact NZ-OE2 2.73Å; K110-E136 PolarHBondContact NZ-OE2 2.8Å; Y114-E136 PolarHBondContact OH-O 3.48Å; E136-A139 PolarHBondContact O-N 2.76Å; E136-K140 WeakPolarHBondContact O-CG 3.43Å; E136-K140 PolarHBondContact O-N 2.56Å; E136-K140 WeakPolarHBondContact OE1-CE 3.39Å; E136-K140 IonicContact OE1-NZ 3.38Å; E136-K140 PolarHBondContact OE1-NZ 3.17Å
137G70.8Confident68.1Low34 Ų3471.6 Ų71.635%0.35138%0.376SS..Hα-helixtrans-67.5-49.9-177.100000111.7D135 A139 K140 E141D135-G137 VanDerWaalsContact C-N 3.32Å; D135-G137 PolarHBondContact O-N 2.85Å; D135-G137 WeakPolarHBondContact OD1-CA 3.27Å; D135-G137 PolarHBondContact OD1-N 3.01Å; G137-A139 PolarHBondContact O-N 3.49Å; G137-K140 WeakPolarHBondContact O-CB 3.13Å; G137-K140 PolarHBondContact O-N 2.98Å; G137-E141 PolarHBondContact O-N 2.58Å
138T69.7Low69.1Low52 Ų5265.2 Ų65.232%0.31935%0.347SS..Hα-helixtrans-57.8-39.4175.2-55.80000111.3D135 E141 Q142D135-T138 VanDerWaalsContact CG-OG1 3.32Å; D135-T138 PolarHBondContact OD1-N 2.88Å; D135-T138 PolarHBondContact OD1-OG1 2.86Å; D135-T138 WeakPolarHBondContact OD2-CB 3.48Å; D135-T138 PolarHBondContact OD2-OG1 2.63Å; T138-E141 PolarHBondContact O-N 3.36Å; T138-Q142 WeakPolarHBondContact O-CG 3.31Å; T138-Q142 PolarHBondContact O-N 2.94Å
139A67.6Low70Confident0 Ų061.8 Ų61.80%033%0.33CS..Hα-helixtrans-66.2-37.9176.300000112.8Y114 W133 D135 E136 G137 A143Y114-A139 HydrophobicContact CD2-CB 3.95Å; Y114-A139 HydrophobicContact CE2-CB 3.29Å; W133-A139 HydrophobicContact CB-CB 3.87Å; W133-A139 HydrophobicContact CD2-CB 3.62Å; W133-A139 HydrophobicContact CE3-CB 3.79Å; W133-A139 HydrophobicContact CG-CB 3.64Å; D135-A139 PolarHBondContact O-N 3.32Å; E136-A139 PolarHBondContact O-N 2.76Å; G137-A139 PolarHBondContact O-N 3.49Å; A139-A143 VanDerWaalsContact O-CB 3.31Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.32Å
140K71.4Confident70.8Confident54 Ų5464.9 Ų64.924%0.23534%0.338CS..Hα-helixtrans-64.3-49.5173.2-71.9-173.1-175.8174.40111.3Y114 E136 G137 Q142 A143 M144Y114-K140 HydrophobicContact CE1-CG 4.44Å; Y114-K140 WeakPolarHBondContact OH-CE 3.27Å; Y114-K140 WeakPolarHBondContact OH-CG 3.42Å; E136-K140 WeakPolarHBondContact O-CG 3.43Å; E136-K140 PolarHBondContact O-N 2.56Å; E136-K140 WeakPolarHBondContact OE1-CE 3.39Å; E136-K140 IonicContact OE1-NZ 3.38Å; E136-K140 PolarHBondContact OE1-NZ 3.17Å; G137-K140 WeakPolarHBondContact O-CB 3.13Å; G137-K140 PolarHBondContact O-N 2.98Å; K140-Q142 VanDerWaalsContact C-N 3.31Å; K140-Q142 PolarHBondContact O-N 2.94Å; K140-A143 PolarHBondContact O-N 2.73Å; K140-M144 HydrophobicContact CB-CE 4.25Å; K140-M144 WeakPolarHBondContact O-CB 3.47Å; K140-M144 VanDerWaalsContact O-CG 3.3Å; K140-M144 WeakPolarHBondContact O-CG 3.47Å; K140-M144 PolarHBondContact O-N 2.79Å
141E75.5Confident71.6Confident121 Ų12163.5 Ų63.557%0.56533%0.331SS*.Hα-helixtrans-56.7-47.9-178.4-73.3-178.5174.500110.6G137 T138 M144 E145G137-E141 PolarHBondContact O-N 2.58Å; T138-E141 PolarHBondContact O-N 3.36Å; E141-M144 HydrophobicContact CG-CE 4.39Å; E141-M144 PolarHBondContact O-N 3.46Å; E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 WeakPolarHBondContact O-CG 3.5Å; E141-E145 PolarHBondContact O-N 3.19Å
142Q75Confident72.5Confident59 Ų5963.6 Ų63.628%0.27634%0.344SS..Hα-helixtrans-68.9-35.5178.4-69.3-169-4.700113.8F123 T138 K140 E145 S146F123-Q142 HydrophobicContact CE1-CB 3.96Å; F123-Q142 HydrophobicContact CZ-CB 4.28Å; F123-Q142 WeakPolarHBondContact CZ-O 3.48Å; T138-Q142 WeakPolarHBondContact O-CG 3.31Å; T138-Q142 PolarHBondContact O-N 2.94Å; K140-Q142 VanDerWaalsContact C-N 3.31Å; K140-Q142 PolarHBondContact O-N 2.94Å; Q142-E145 PolarHBondContact O-N 3.47Å; Q142-S146 PolarHBondContact O-N 2.85Å
143A74.9Confident73.4Confident1 Ų170 Ų701%0.00837%0.374CS..Hα-helixtrans-65-41.9173.400000111.3F123 A139 K140 S146 W148F123-A143 HydrophobicContact CD1-CB 4.27Å; F123-A143 HydrophobicContact CE1-CB 4.35Å; A139-A143 VanDerWaalsContact O-CB 3.31Å; A139-A143 WeakPolarHBondContact O-CB 3.42Å; A139-A143 PolarHBondContact O-N 3.32Å; K140-A143 PolarHBondContact O-N 2.73Å; A143-S146 CarbonylContact O-C 3.48Å; A143-S146 WeakPolarHBondContact O-CA 2.85Å; A143-S146 VanDerWaalsContact O-CB 3.27Å; A143-S146 WeakPolarHBondContact O-CB 3.34Å; A143-S146 PolarHBondContact O-N 3.3Å; A143-S146 VanDerWaalsContact O-N 3.1Å; A143-W148 HydrophobicContact CB-CB 4.23Å; A143-W148 WeakPolarHBondContact O-CB 3.49Å; A143-W148 PolarHBondContact O-N 2.83Å
144M75.4Confident74.3Confident105 Ų10574 Ų7452%0.51739%0.392SS..Hα-helixtrans-70-30.2176.5-70.7-173.2-62.700113.5K140 E141 S146K140-M144 HydrophobicContact CB-CE 4.25Å; K140-M144 WeakPolarHBondContact O-CB 3.47Å; K140-M144 VanDerWaalsContact O-CG 3.3Å; K140-M144 WeakPolarHBondContact O-CG 3.47Å; K140-M144 PolarHBondContact O-N 2.79Å; E141-M144 HydrophobicContact CG-CE 4.39Å; E141-M144 PolarHBondContact O-N 3.46Å; M144-S146 PolarHBondContact O-N 3.1Å
145E79.6Confident75.5Confident169 Ų16969.2 Ų69.279%0.7937%0.366SS*.Hα-helixtrans-69.8-18.5169.9-76.3-177.4172.400112.2E141 Q142E141-E145 WeakPolarHBondContact O-CB 3.47Å; E141-E145 WeakPolarHBondContact O-CG 3.5Å; E141-E145 PolarHBondContact O-N 3.19Å; Q142-E145 PolarHBondContact O-N 3.47Å
146S79.6Confident76.2Confident51 Ų5167.1 Ų67.136%0.35735%0.353SS..THydrogen-bonded Turntrans-89.5-168.9169.8-164.70000110.9Q142 A143 M144 W148Q142-S146 PolarHBondContact O-N 2.85Å; A143-S146 CarbonylContact O-C 3.48Å; A143-S146 WeakPolarHBondContact O-CA 2.85Å; A143-S146 VanDerWaalsContact O-CB 3.27Å; A143-S146 WeakPolarHBondContact O-CB 3.34Å; A143-S146 PolarHBondContact O-N 3.3Å; A143-S146 VanDerWaalsContact O-N 3.1Å; M144-S146 PolarHBondContact O-N 3.1Å; S146-W148 PolarHBondContact O-N 3.22Å
147E82.7Confident77.1Confident138 Ų13863.8 Ų63.865%0.64534%0.338SS*.THydrogen-bonded Turntrans-8519177.8-58.8-174.9163.300112.5P158 Y161E147-P158 HydrophobicContact CB-CB 4.47Å; E147-P158 HydrophobicContact CB-CG 3.43Å; E147-P158 VanDerWaalsContact CB-CG 3.43Å; E147-P158 WeakPolarHBondContact O-CG 3.45Å; E147-Y161 WeakPolarHBondContact O-CE1 3.25Å; E147-Y161 PolarHBondContact O-OH 2.87Å
148W83.8Confident77.6Confident34 Ų3464 Ų6413%0.12933%0.333CS..  trans-87.1142.4-179.6-72.958.4000111.3I116 F123 A143 S146 H155 C157I116-W148 HydrophobicContact CD1-CE3 3.94Å; I116-W148 HydrophobicContact CD1-CH2 3.16Å; I116-W148 HydrophobicContact CD1-CZ2 3.9Å; I116-W148 HydrophobicContact CD1-CZ3 3.22Å; I116-W148 HydrophobicContact CG1-CE3 4.05Å; I116-W148 HydrophobicContact CG1-CH2 3.53Å; I116-W148 HydrophobicContact CG1-CZ3 3.17Å; F123-W148 HydrophobicContact CB-CH2 3.81Å; F123-W148 HydrophobicContact CB-CZ2 3.77Å; F123-W148 HydrophobicContact CB-CZ3 4.2Å; F123-W148 AromaticContact CD2-CD1 3.98Å; F123-W148 HydrophobicContact CD2-CD2 4.38Å; F123-W148 AromaticContact CD2-CE2 3.85Å; F123-W148 HydrophobicContact CD2-CG 4.49Å; F123-W148 HydrophobicContact CD2-CZ2 4.25Å; F123-W148 AromaticContact CD2-NE1 3.59Å; A143-W148 HydrophobicContact CB-CB 4.23Å; A143-W148 WeakPolarHBondContact O-CB 3.49Å; A143-W148 PolarHBondContact O-N 2.83Å; S146-W148 PolarHBondContact O-N 3.22Å; W148-H155 HydrophobicContact CE3-CB 4.43Å; W148-C157 HydrophobicContact CD2-CB 4.28Å; W148-C157 HydrophobicContact CH2-CB 4.32Å; W148-C157 HydrophobicContact CZ2-CB 3.9Å
149A82.6Confident78.3Confident11 Ų1166 Ų669%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-112.3133.7-179.400000111.7I151 H155 Y156 Y161A149-I151 HydrophobicContact CB-CD1 4.45Å; A149-I151 HydrophobicContact CB-CG1 4.27Å; A149-H155 CarbonylContact O-C 3.52Å; A149-H155 WeakPolarHBondContact O-CA 3.35Å; A149-Y156 PolarHBondContact N-O 3.46Å; A149-Y156 PolarHBondContact O-N 3.4Å; A149-Y161 HydrophobicContact CB-CD1 3.64Å; A149-Y161 HydrophobicContact CB-CD2 4.23Å; A149-Y161 HydrophobicContact CB-CE1 3.55Å; A149-Y161 HydrophobicContact CB-CE2 4.17Å; A149-Y161 HydrophobicContact CB-CG 4Å
150E81.9Confident79.1Confident90 Ų9066.3 Ų66.342%0.42134%0.344SS..EExtended strand (participates in β ladder)trans-89.4116.6164.6-173.7172.1-156.200108.8G152 K154 H155E150-G152 WeakPolarHBondContact CG-O 3.42Å; E150-K154 WeakPolarHBondContact CA-O 3.4Å; E150-H155 IonicContact OE1-CE1 3.35Å; E150-H155 IonicContact OE1-NE2 3.65Å
151I80.2Confident79.8Confident34 Ų3465.4 Ų65.417%0.17434%0.339CS..EExtended strand (participates in β ladder)trans-124.4105.4178.4-51.2166.9000108A149 K154 Y156 Y161 Y170 P172A149-I151 HydrophobicContact CB-CD1 4.45Å; A149-I151 HydrophobicContact CB-CG1 4.27Å; I151-K154 PolarHBondContact N-O 3.06Å; I151-Y156 HydrophobicContact CB-CD2 3.97Å; I151-Y156 HydrophobicContact CB-CE2 3.79Å; I151-Y156 HydrophobicContact CD1-CD2 3.79Å; I151-Y156 HydrophobicContact CD1-CE2 4.21Å; I151-Y156 HydrophobicContact CD1-CG 4.32Å; I151-Y156 HydrophobicContact CG1-CD2 4.02Å; I151-Y156 HydrophobicContact CG1-CE2 4.33Å; I151-Y161 HydrophobicContact CD1-CG 4.3Å; I151-Y170 WeakPolarHBondContact CD1-O 3.5Å; I151-Y170 WeakPolarHBondContact CG2-O 3.43Å; I151-P172 HydrophobicContact CD1-CG 4.35Å; I151-P172 HydrophobicContact CG2-CG 4.45Å
152G80.4Confident80.6Confident62 Ų6263.9 Ų63.964%0.63933%0.332SS*.THydrogen-bonded Turntrans66-138.4-165.900000110.8E150 K154E150-G152 WeakPolarHBondContact CG-O 3.42Å; G152-K154 PolarHBondContact O-N 3.04Å
153D76.5Confident81.3Confident164 Ų16465.1 Ų65.188%0.87734%0.337SS*.THydrogen-bonded Turntrans-89.125.1177.6-56.3-39.1000113.1
154K78.2Confident82Confident99 Ų9967.3 Ų67.343%0.4335%0.349SS..EExtended strand (participates in β ladder)trans-135.4147.6-172.9-67.1179.6-172.8170.90111.7E150 I151 G152 Y156E150-K154 WeakPolarHBondContact CA-O 3.4Å; I151-K154 PolarHBondContact N-O 3.06Å; G152-K154 PolarHBondContact O-N 3.04Å; K154-Y156 HydrophobicContact CB-CE2 3.7Å
155H74.3Confident82.8Confident29 Ų2969.1 Ų69.113%0.13436%0.36CS..EExtended strand (participates in β ladder)trans-106142178.5-61.478.3000111Y114 I116 W148 A149 E150Y114-H155 HydrophobicContact CD1-CB 4Å; Y114-H155 AromaticContact CD1-CG 3.76Å; Y114-H155 HydrophobicContact CE1-CB 4.28Å; Y114-H155 AromaticContact CE1-CD2 3.61Å; Y114-H155 AromaticContact CE1-CE1 3.63Å; Y114-H155 AromaticContact CE1-CG 3.53Å; Y114-H155 AromaticContact CE1-ND1 3.52Å; Y114-H155 AromaticContact CE1-NE2 3.65Å; I116-H155 WeakPolarHBondContact CG2-O 2.98Å; W148-H155 HydrophobicContact CE3-CB 4.43Å; A149-H155 CarbonylContact O-C 3.52Å; A149-H155 WeakPolarHBondContact O-CA 3.35Å; E150-H155 IonicContact OE1-CE1 3.35Å; E150-H155 IonicContact OE1-NE2 3.65Å
156Y76.9Confident83.3Confident28 Ų2870 Ų7011%0.1136%0.364CS..EExtended strand (participates in β ladder)trans-132.3138-178-60.9-95.2000110.1I116 R118 A149 I151 K154 C160 P172I116-Y156 HydrophobicContact CG2-CD1 4.37Å; R118-Y156 HydrophobicContact CB-CD1 4.48Å; R118-Y156 HydrophobicContact CB-CE1 4.48Å; A149-Y156 PolarHBondContact N-O 3.46Å; A149-Y156 PolarHBondContact O-N 3.4Å; I151-Y156 HydrophobicContact CB-CD2 3.97Å; I151-Y156 HydrophobicContact CB-CE2 3.79Å; I151-Y156 HydrophobicContact CD1-CD2 3.79Å; I151-Y156 HydrophobicContact CD1-CE2 4.21Å; I151-Y156 HydrophobicContact CD1-CG 4.32Å; I151-Y156 HydrophobicContact CG1-CD2 4.02Å; I151-Y156 HydrophobicContact CG1-CE2 4.33Å; K154-Y156 HydrophobicContact CB-CE2 3.7Å; Y156-C160 HydrophobicContact CD1-CB 4.13Å; Y156-P172 HydrophobicContact CD1-CB 4.27Å; Y156-P172 HydrophobicContact CE1-CB 3.69Å; Y156-P172 HydrophobicContact CE1-CG 3.86Å; Y156-P172 HydrophobicContact CE2-CG 4.05Å; Y156-P172 WeakPolarHBondContact OH-CG 3.21Å
157C81.4Confident83.8Confident4 Ų472.3 Ų72.33%0.02737%0.372CS..  trans-74.4163.6171.364.60000109.7I116 W148 D159 C160 Y161I116-C157 HydrophobicContact CD1-CB 3.27Å; I116-C157 VanDerWaalsContact CD1-SG 3.57Å; W148-C157 HydrophobicContact CD2-CB 4.28Å; W148-C157 HydrophobicContact CH2-CB 4.32Å; W148-C157 HydrophobicContact CZ2-CB 3.9Å; C157-D159 PolarHBondContact O-N 3.27Å; C157-C160 WeakPolarHBondContact O-CA 3.46Å; C157-C160 WeakPolarHBondContact O-CB 3.3Å; C157-C160 PolarHBondContact O-N 3.49Å; C157-Y161 WeakPolarHBondContact O-CD1 3.4Å; C157-Y161 WeakPolarHBondContact O-CE1 3.46Å
158P82Confident84.1Confident39 Ų3972 Ų7225%0.25338%0.375SS..G310 helixtrans-48-34.8176.8-31.235.3000114.7E147 C160E147-P158 HydrophobicContact CB-CB 4.47Å; E147-P158 HydrophobicContact CB-CG 3.43Å; E147-P158 VanDerWaalsContact CB-CG 3.43Å; E147-P158 WeakPolarHBondContact O-CG 3.45Å; P158-C160 VanDerWaalsContact C-N 3.27Å; P158-C160 PolarHBondContact O-N 2.85Å
159D83.8Confident84.4Confident94 Ų9475.4 Ų75.450%0.50339%0.393SS..G310 helixtrans-71.6-22.2179.5-57.5-37.3000113.5K121 C157 K173K121-D159 IonicContact NZ-OD2 3.72Å; K121-D159 PolarHBondContact NZ-OD2 3.21Å; C157-D159 PolarHBondContact O-N 3.27Å; D159-K173 WeakPolarHBondContact O-CD 3.35Å; D159-K173 WeakPolarHBondContact O-CE 3.37Å; D159-K173 PolarHBondContact O-NZ 3.31Å
160C85Confident84.6Confident7 Ų780.6 Ų80.65%0.04741%0.41CS..G310 helixtrans-105.91.4-165.7-79.10000114.7R118 C119 Y156 C157 P158 K173R118-C160 VanDerWaalsContact NH1-C 3.25Å; R118-C160 PolarHBondContact NH1-O 3.33Å; C119-C160 VanDerWaalsContact SG-SG 3.64Å; Y156-C160 HydrophobicContact CD1-CB 4.13Å; C157-C160 WeakPolarHBondContact O-CA 3.46Å; C157-C160 WeakPolarHBondContact O-CB 3.3Å; C157-C160 PolarHBondContact O-N 3.49Å; P158-C160 VanDerWaalsContact C-N 3.27Å; P158-C160 PolarHBondContact O-N 2.85Å; C160-K173 PolarHBondContact O-N 3.29Å
161Y86.7Confident85Confident34 Ų3477.6 Ų77.613%0.13340%0.398CS..EExtended strand (participates in β ladder)trans-136.6157.7172.170.7-96.4000110.5E147 A149 I151 C157 Y170 V171 K173E147-Y161 WeakPolarHBondContact O-CE1 3.25Å; E147-Y161 PolarHBondContact O-OH 2.87Å; A149-Y161 HydrophobicContact CB-CD1 3.64Å; A149-Y161 HydrophobicContact CB-CD2 4.23Å; A149-Y161 HydrophobicContact CB-CE1 3.55Å; A149-Y161 HydrophobicContact CB-CE2 4.17Å; A149-Y161 HydrophobicContact CB-CG 4Å; I151-Y161 HydrophobicContact CD1-CG 4.3Å; C157-Y161 WeakPolarHBondContact O-CD1 3.4Å; C157-Y161 WeakPolarHBondContact O-CE1 3.46Å; Y161-Y170 AromaticContact CD2-CD1 3.37Å; Y161-Y170 HydrophobicContact CD2-CD1 3.37Å; Y161-Y170 AromaticContact CD2-CE1 3.98Å; Y161-Y170 HydrophobicContact CD2-CE1 3.98Å; Y161-Y170 AromaticContact CD2-CG 3.95Å; Y161-Y170 HydrophobicContact CD2-CG 3.95Å; Y161-Y170 AromaticContact CE2-CD1 3.37Å; Y161-Y170 HydrophobicContact CE2-CD1 3.37Å; Y161-Y170 AromaticContact CE2-CE1 3.48Å; Y161-Y170 HydrophobicContact CE2-CE1 3.48Å; Y161-Y170 VanDerWaalsContact CE2-CE1 3.48Å; Y161-Y170 HydrophobicContact CE2-CG 4.05Å; Y161-V171 CarbonylContact C-O 3.59Å; Y161-V171 VanDerWaalsContact CA-O 3.27Å; Y161-V171 WeakPolarHBondContact CA-O 2.84Å; Y161-V171 WeakPolarHBondContact CB-O 3.45Å; Y161-K173 WeakPolarHBondContact O-CE 3.34Å
162E91.4Very high85.3Confident90 Ų9078.4 Ų78.442%0.42141%0.406SS..EExtended strand (participates in β ladder)trans-134.4160.1172.960.7-160.9166.500109.3Y170 V171 K173E162-Y170 CarbonylContact O-C 3.59Å; E162-Y170 WeakPolarHBondContact O-CA 3.46Å; E162-V171 HydrophobicContact CG-CG2 3.94Å; E162-V171 PolarHBondContact N-O 2.91Å; E162-V171 PolarHBondContact O-N 3.05Å; E162-V171 VanDerWaalsContact O-O 3.13Å; E162-K173 HydrophobicContact CB-CD 4.45Å; E162-K173 HydrophobicContact CB-CG 3.91Å; E162-K173 HydrophobicContact CG-CB 4.36Å; E162-K173 HydrophobicContact CG-CG 3.88Å
163F90.9Very high85.5Confident85 Ų8578.9 Ų78.937%0.37339%0.39SS..EExtended strand (participates in β ladder)trans-86.8129.1174.5-168.7-99.6000109.2D165 D168 Y170F163-D165 WeakPolarHBondContact CD1-OD1 3.34Å; F163-D168 WeakPolarHBondContact CZ-OD1 3.4Å; F163-Y170 HydrophobicContact CB-CD1 3.97Å; F163-Y170 HydrophobicContact CB-CE1 3.9Å; F163-Y170 AromaticContact CD2-CD1 3.79Å; F163-Y170 HydrophobicContact CD2-CD1 3.79Å; F163-Y170 HydrophobicContact CD2-CD2 4.42Å; F163-Y170 AromaticContact CD2-CE1 3.73Å; F163-Y170 HydrophobicContact CD2-CE1 3.73Å; F163-Y170 HydrophobicContact CD2-CE2 4.36Å; F163-Y170 HydrophobicContact CD2-CG 4.16Å; F163-Y170 HydrophobicContact CG-CD1 4.39Å; F163-Y170 HydrophobicContact CG-CE1 4.28Å
164D89.7Confident85.6Confident47 Ų4780 Ų8025%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-95.3105.4174.6-171.1-33.7000109.1E166 L167 D168 E169 V171D164-E166 PolarHBondContact O-N 3.3Å; D164-E166 WeakPolarHBondContact OD1-CB 3.39Å; D164-E166 PolarHBondContact OD1-N 3.45Å; D164-L167 HydrophobicContact CB-CB 4.25Å; D164-L167 PolarHBondContact O-N 3.41Å; D164-L167 PolarHBondContact OD1-N 3.44Å; D164-D168 WeakPolarHBondContact O-CA 3.43Å; D164-D168 PolarHBondContact O-N 3.44Å; D164-E169 PolarHBondContact N-O 3Å; D164-E169 PolarHBondContact O-N 2.94Å; D164-V171 HydrophobicContact CB-CG1 3.93Å; D164-V171 HydrophobicContact CB-CG2 3.95Å
165D91.7Very high84.9Confident142 Ų14283 Ų8376%0.75940%0.401SS*.THydrogen-bonded Turntrans-61.9-22.1-179.6-68.5-34.9000113.3F163F163-D165 WeakPolarHBondContact CD1-OD1 3.34Å
166E90.5Very high84.3Confident187 Ų18791 Ų9187%0.87444%0.438SS*.THydrogen-bonded Turntrans-82.1-34.1179.4-61.6-171.7172.700112.1D164D164-E166 PolarHBondContact O-N 3.3Å; D164-E166 WeakPolarHBondContact OD1-CB 3.39Å; D164-E166 PolarHBondContact OD1-N 3.45Å
167L88.9Confident82.7Confident101 Ų101100.6 Ų100.653%0.52949%0.491SS..THydrogen-bonded Turntrans-93.8-13.5178.2-62.6176.9000113.1D164 E169 V171D164-L167 HydrophobicContact CB-CB 4.25Å; D164-L167 PolarHBondContact O-N 3.41Å; D164-L167 PolarHBondContact OD1-N 3.44Å; L167-E169 HydrophobicContact CB-CG 3.7Å; L167-E169 HydrophobicContact CD1-CG 4.49Å; L167-E169 PolarHBondContact O-N 2.66Å; L167-V171 HydrophobicContact CD1-CG1 4.4Å
168D89.1Confident82.8Confident132 Ų132105.5 Ų105.571%0.70651%0.514SS*.THydrogen-bonded Turntrans5735.7-174.3-160.540.3000111.9F163 D164F163-D168 WeakPolarHBondContact CZ-OD1 3.4Å; D164-D168 WeakPolarHBondContact O-CA 3.43Å; D164-D168 PolarHBondContact O-N 3.44Å
169E90Very high82.8Confident105 Ų105108.9 Ų108.949%0.49153%0.528SS..EExtended strand (participates in β ladder)trans-143.1161.3-177.373.6-174.1179.500113.2D164 L167 V171D164-E169 PolarHBondContact N-O 3Å; D164-E169 PolarHBondContact O-N 2.94Å; L167-E169 HydrophobicContact CB-CG 3.7Å; L167-E169 HydrophobicContact CD1-CG 4.49Å; L167-E169 PolarHBondContact O-N 2.66Å; E169-V171 HydrophobicContact CG-CG1 4.21Å
170Y88.1Confident82.8Confident119 Ų119109.8 Ų109.847%0.46753%0.529SS..EExtended strand (participates in β ladder)trans-80.3128.5173.1-69.2-69.5000111.4I151 Y161 E162 F163I151-Y170 WeakPolarHBondContact CD1-O 3.5Å; I151-Y170 WeakPolarHBondContact CG2-O 3.43Å; Y161-Y170 AromaticContact CD2-CD1 3.37Å; Y161-Y170 HydrophobicContact CD2-CD1 3.37Å; Y161-Y170 AromaticContact CD2-CE1 3.98Å; Y161-Y170 HydrophobicContact CD2-CE1 3.98Å; Y161-Y170 AromaticContact CD2-CG 3.95Å; Y161-Y170 HydrophobicContact CD2-CG 3.95Å; Y161-Y170 AromaticContact CE2-CD1 3.37Å; Y161-Y170 HydrophobicContact CE2-CD1 3.37Å; Y161-Y170 AromaticContact CE2-CE1 3.48Å; Y161-Y170 HydrophobicContact CE2-CE1 3.48Å; Y161-Y170 VanDerWaalsContact CE2-CE1 3.48Å; Y161-Y170 HydrophobicContact CE2-CG 4.05Å; E162-Y170 CarbonylContact O-C 3.59Å; E162-Y170 WeakPolarHBondContact O-CA 3.46Å; F163-Y170 HydrophobicContact CB-CD1 3.97Å; F163-Y170 HydrophobicContact CB-CE1 3.9Å; F163-Y170 AromaticContact CD2-CD1 3.79Å; F163-Y170 HydrophobicContact CD2-CD1 3.79Å; F163-Y170 HydrophobicContact CD2-CD2 4.42Å; F163-Y170 AromaticContact CD2-CE1 3.73Å; F163-Y170 HydrophobicContact CD2-CE1 3.73Å; F163-Y170 HydrophobicContact CD2-CE2 4.36Å; F163-Y170 HydrophobicContact CD2-CG 4.16Å; F163-Y170 HydrophobicContact CG-CD1 4.39Å; F163-Y170 HydrophobicContact CG-CE1 4.28Å
171V89.2Confident82.7Confident28 Ų28115.8 Ų115.817%0.1756%0.558CS.*EExtended strand (participates in β ladder)trans-120.1149.6178-59.90000111.2Y161 E162 D164 L167 E169 K173Y161-V171 CarbonylContact C-O 3.59Å; Y161-V171 VanDerWaalsContact CA-O 3.27Å; Y161-V171 WeakPolarHBondContact CA-O 2.84Å; Y161-V171 WeakPolarHBondContact CB-O 3.45Å; E162-V171 HydrophobicContact CG-CG2 3.94Å; E162-V171 PolarHBondContact N-O 2.91Å; E162-V171 PolarHBondContact O-N 3.05Å; E162-V171 VanDerWaalsContact O-O 3.13Å; D164-V171 HydrophobicContact CB-CG1 3.93Å; D164-V171 HydrophobicContact CB-CG2 3.95Å; L167-V171 HydrophobicContact CD1-CG1 4.4Å; E169-V171 HydrophobicContact CG-CG1 4.21Å; V171-K173 PolarHBondContact O-N 2.85Å
172P86.7Confident82.4Confident50 Ų50120.9 Ų120.933%0.32558%0.584SS.*EExtended strand (participates in β ladder)trans-66126.9172.3-17.832.5000109.9I151 Y156I151-P172 HydrophobicContact CD1-CG 4.35Å; I151-P172 HydrophobicContact CG2-CG 4.45Å; Y156-P172 HydrophobicContact CD1-CB 4.27Å; Y156-P172 HydrophobicContact CE1-CB 3.69Å; Y156-P172 HydrophobicContact CE1-CG 3.86Å; Y156-P172 HydrophobicContact CE2-CG 4.05Å; Y156-P172 WeakPolarHBondContact OH-CG 3.21Å
173K84.6Confident81.8Confident72 Ų72123 Ų12331%0.31360%0.595SS.*PPolyproline II helixtrans-56.3152.7174.2-31.4179.3169.1156.20111.1R118 D159 C160 Y161 E162 V171R118-K173 VanDerWaalsContact NH1-C 3.35Å; R118-K173 PolarHBondContact NH1-O 2.91Å; R118-K173 PolarHBondContact NH2-O 3.39Å; D159-K173 WeakPolarHBondContact O-CD 3.35Å; D159-K173 WeakPolarHBondContact O-CE 3.37Å; D159-K173 PolarHBondContact O-NZ 3.31Å; C160-K173 PolarHBondContact O-N 3.29Å; Y161-K173 WeakPolarHBondContact O-CE 3.34Å; E162-K173 HydrophobicContact CB-CD 4.45Å; E162-K173 HydrophobicContact CB-CG 3.91Å; E162-K173 HydrophobicContact CG-CB 4.36Å; E162-K173 HydrophobicContact CG-CG 3.88Å; V171-K173 PolarHBondContact O-N 2.85Å
174K79.3Confident81.2Confident188 Ų188125.7 Ų125.782%0.81761%0.611SS**PPolyproline II helixtrans-73.4152.9173.5-64.7172.3-174.9166.30110.4R118 E176R118-K174 PolarHBondContact NH2-O 2.86Å; K174-E176 PolarHBondContact O-N 2.73Å
175K62.3Low80.5Confident163 Ų163131.8 Ų131.871%0.70964%0.639SS**PPolyproline II helixtrans-72.3125.4169-70.8-173.3177.9-174.30107.4D177K175-D177 PolarHBondContact O-N 3.4Å
176E62.2Low79.6Confident196 Ų196130.9 Ų130.992%0.91663%0.629SS**PPolyproline II helixtrans-74.4116.5157.3-65.9-176.5168.900105.7K174K174-E176 PolarHBondContact O-N 2.73Å
177D43.9Very low78.6Confident230 Ų230125.8 Ų125.8100%1.2361%0.606SS**  trans-72.60172.8-76.2-34.3000111.1K175K175-D177 PolarHBondContact O-N 3.4Å

Retrieved 177 of 177 residues in 160.1 ms (Link to these results)

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