G4M254_SCHMA Loading...

Nudix hydrolase domain-containing protein

AlphaFold DB (A0A5K4EZL4), UniProt , Accession G4M254, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 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
1M56.8Low85.8Confident200 Ų200114.5 Ų114.599%0.98559%0.591SS**  0120.40-129.4-170.7-154.400106.4
2N72.3Confident86.5Confident134 Ų134105.4 Ų105.472%0.71755%0.546SS*.  trans-98.6128.6176.4-65.7-8.1000108.3
3F86.2Confident87.2Confident94 Ų94100.8 Ų100.841%0.41253%0.525SS..  trans-88.2137.3175.5-62.9-83.4000109.4D5 E6 R21F3-D5 PolarHBondContact O-N 3.07Å; F3-D5 VanDerWaalsContact O-N 3.13Å; F3-E6 HydrophobicContact CB-CG 4.06Å; F3-E6 WeakPolarHBondContact O-CB 3.33Å; F3-E6 PolarHBondContact O-N 3.01Å; F3-R21 VanDerWaalsContact CE2-CD 3.41Å
4P90.2Very high87.8Confident105 Ų10593.6 Ų93.668%0.68249%0.488SS*.G310 helixtrans-54-36.6-177.4-28.435.2000113.7E6 L7P4-E6 PolarHBondContact O-N 2.97Å; P4-L7 WeakPolarHBondContact O-CB 3.48Å; P4-L7 PolarHBondContact O-N 3.1Å; P4-L7 VanDerWaalsContact O-N 3.16Å
5D91Very high88.3Confident89 Ų8990.1 Ų90.148%0.47647%0.472SS..G310 helixtrans-64.1-21.2177.3-86.828.5000114.4F3 L7 G14 K17F3-D5 PolarHBondContact O-N 3.07Å; F3-D5 VanDerWaalsContact O-N 3.13Å; D5-L7 VanDerWaalsContact C-N 3.32Å; D5-G14 WeakPolarHBondContact O-CA 3.2Å; D5-K17 HydrophobicContact CB-CD 3.95Å; D5-K17 IonicContact OD2-NZ 3.28Å; D5-K17 PolarHBondContact OD2-NZ 3.29Å
6E91.9Very high88.9Confident30 Ų3086.8 Ų86.814%0.1445%0.452CS..G310 helixtrans-85.9-6.1179.1-6417817400112.7F3 P4 G14 K17 A18 R21F3-E6 HydrophobicContact CB-CG 4.06Å; F3-E6 WeakPolarHBondContact O-CB 3.33Å; F3-E6 PolarHBondContact O-N 3.01Å; P4-E6 PolarHBondContact O-N 2.97Å; E6-G14 VanDerWaalsContact C-CA 3.49Å; E6-G14 CarbonylContact O-C 3.49Å; E6-G14 VanDerWaalsContact O-CA 3.28Å; E6-G14 WeakPolarHBondContact O-CA 3.32Å; E6-K17 HydrophobicContact CG-CB 4.2Å; E6-A18 HydrophobicContact CB-CB 4.35Å; E6-A18 HydrophobicContact CG-CB 4.07Å; E6-A18 WeakPolarHBondContact OE1-CA 3.49Å; E6-R21 IonicContact OE1-CZ 3.57Å; E6-R21 IonicContact OE1-NE 3.56Å; E6-R21 PolarHBondContact OE1-NE 2.77Å; E6-R21 IonicContact OE1-NH2 2.75Å; E6-R21 PolarHBondContact OE1-NH2 3.29Å; E6-R21 IonicContact OE2-CZ 2.75Å; E6-R21 IonicContact OE2-NE 3.27Å; E6-R21 IonicContact OE2-NH2 3.41Å; E6-R21 PolarHBondContact OE2-NH2 3.35Å
7L90.7Very high89.4Confident118 Ų11884.7 Ų84.762%0.61844%0.439SS*.G310 helixtrans-93.1-0.3178.8-55178.5000113P4 D5 E9P4-L7 WeakPolarHBondContact O-CB 3.48Å; P4-L7 PolarHBondContact O-N 3.1Å; P4-L7 VanDerWaalsContact O-N 3.16Å; D5-L7 VanDerWaalsContact C-N 3.32Å; L7-E9 PolarHBondContact O-N 3.07Å
8I93.3Very high89.8Confident75 Ų7581.3 Ų81.339%0.38543%0.425SS..  trans-77.3109.4-179.3-57.7173.5000109.6L10 V13 G14I8-L10 HydrophobicContact CG2-CB 4.23Å; I8-V13 HydrophobicContact CG2-CB 4.4Å; I8-G14 WeakPolarHBondContact O-CA 3.39Å; I8-G14 PolarHBondContact O-N 3.26Å
9E90.8Very high90.1Very high162 Ų16278.3 Ų78.376%0.75741%0.413SS*.  trans-78.8-26.4-179.2-64.5-173.8-178.500114L7 D11 A12L7-E9 PolarHBondContact O-N 3.07Å; E9-D11 PolarHBondContact O-N 2.87Å; E9-A12 WeakPolarHBondContact O-CA 3.36Å; E9-A12 PolarHBondContact O-N 3.16Å
10L91.6Very high90.5Very high128 Ų12875.3 Ų75.367%0.6740%0.397SS*.G310 helixtrans-55.2125.2-179.5-176.165.9000110I8 A12 V13I8-L10 HydrophobicContact CG2-CB 4.23Å; L10-A12 PolarHBondContact O-N 3.42Å; L10-V13 WeakPolarHBondContact O-CB 3.35Å; L10-V13 VanDerWaalsContact O-CG2 3.27Å; L10-V13 WeakPolarHBondContact O-CG2 3.33Å; L10-V13 PolarHBondContact O-N 2.91Å
11D89.4Confident90.7Very high124 Ų12475.7 Ų75.766%0.66339%0.393SS*.G310 helixtrans52.224.6-176.3-57.8-38.8000114.9E9 V13 K16E9-D11 PolarHBondContact O-N 2.87Å; D11-V13 HydrophobicContact CB-CG2 4.16Å; D11-V13 PolarHBondContact O-N 3.28Å; D11-V13 VanDerWaalsContact O-N 3.17Å; D11-K16 WeakPolarHBondContact O-CE 3.47Å
12A93.4Very high92.6Very high6 Ų670 Ų705%0.0536%0.363CS..G310 helixtrans5425.7-173.400000113.7E9 L10 G14 V15 K16 F41 Y66E9-A12 WeakPolarHBondContact O-CA 3.36Å; E9-A12 PolarHBondContact O-N 3.16Å; L10-A12 PolarHBondContact O-N 3.42Å; A12-G14 VanDerWaalsContact C-N 3.29Å; A12-G14 PolarHBondContact O-N 2.88Å; A12-V15 PolarHBondContact O-N 3.09Å; A12-K16 WeakPolarHBondContact O-CG 3.27Å; A12-K16 PolarHBondContact O-N 3.05Å; A12-F41 HydrophobicContact CB-CB 4.07Å; A12-F41 HydrophobicContact CB-CD1 4.32Å; A12-F41 HydrophobicContact CB-CD2 4.46Å; A12-F41 HydrophobicContact CB-CG 4.04Å; A12-Y66 HydrophobicContact CB-CD1 4.34Å; A12-Y66 HydrophobicContact CB-CE1 4.24Å
13V95.7Very high93.8Very high45 Ų4566 Ų6627%0.27334%0.341SS..Hα-helixtrans-58.2-40.8-173.4168.90000112.1I8 L10 D11 K16 K17I8-V13 HydrophobicContact CG2-CB 4.4Å; L10-V13 WeakPolarHBondContact O-CB 3.35Å; L10-V13 VanDerWaalsContact O-CG2 3.27Å; L10-V13 WeakPolarHBondContact O-CG2 3.33Å; L10-V13 PolarHBondContact O-N 2.91Å; D11-V13 HydrophobicContact CB-CG2 4.16Å; D11-V13 PolarHBondContact O-N 3.28Å; D11-V13 VanDerWaalsContact O-N 3.17Å; V13-K16 PolarHBondContact O-N 3.35Å; V13-K17 HydrophobicContact CG1-CD 4.37Å; V13-K17 WeakPolarHBondContact O-CG 3.48Å; V13-K17 PolarHBondContact O-N 2.94Å
14G96Very high94.3Very high0 Ų065.5 Ų65.50%034%0.343CS..Hα-helixtrans-62.3-44.8-179.900000112.6D5 E6 I8 A12 K16 K17 A18D5-G14 WeakPolarHBondContact O-CA 3.2Å; E6-G14 VanDerWaalsContact C-CA 3.49Å; E6-G14 CarbonylContact O-C 3.49Å; E6-G14 VanDerWaalsContact O-CA 3.28Å; E6-G14 WeakPolarHBondContact O-CA 3.32Å; I8-G14 WeakPolarHBondContact O-CA 3.39Å; I8-G14 PolarHBondContact O-N 3.26Å; A12-G14 VanDerWaalsContact C-N 3.29Å; A12-G14 PolarHBondContact O-N 2.88Å; G14-K16 PolarHBondContact O-N 3.33Å; G14-K17 PolarHBondContact O-N 3.26Å; G14-A18 PolarHBondContact O-N 3.24Å
15V95.8Very high94.6Very high42 Ų4264.8 Ų64.826%0.25533%0.33SS..Hα-helixtrans-65.7-38.4177.2178.30000111.4A12 K17 A18 A19 Y66 L68A12-V15 PolarHBondContact O-N 3.09Å; V15-K17 PolarHBondContact O-N 3.13Å; V15-A18 PolarHBondContact O-N 2.98Å; V15-A19 WeakPolarHBondContact O-CB 3.47Å; V15-A19 PolarHBondContact O-N 3.48Å; V15-Y66 HydrophobicContact CB-CD1 4.32Å; V15-Y66 HydrophobicContact CB-CG 4.42Å; V15-Y66 HydrophobicContact CG1-CD1 4.12Å; V15-Y66 HydrophobicContact CG1-CD2 4.33Å; V15-Y66 HydrophobicContact CG1-CG 3.83Å; V15-Y66 HydrophobicContact CG2-CD1 4.04Å; V15-Y66 HydrophobicContact CG2-CD2 4.08Å; V15-Y66 HydrophobicContact CG2-CE1 4.02Å; V15-Y66 HydrophobicContact CG2-CE2 4.07Å; V15-Y66 HydrophobicContact CG2-CG 4.09Å; V15-L68 HydrophobicContact CG1-CD1 3.81Å; V15-L68 HydrophobicContact CG1-CD2 4.26Å; V15-L68 HydrophobicContact CG1-CG 4.33Å
16K97.2Very high95Very high36 Ų3663.1 Ų63.116%0.15732%0.319CS..Hα-helixtrans-63.6-39.5174.4-64.1179.2-171.8-164.40112.4D11 A12 V13 G14 A19 Q20 L36 I39D11-K16 WeakPolarHBondContact O-CE 3.47Å; A12-K16 WeakPolarHBondContact O-CG 3.27Å; A12-K16 PolarHBondContact O-N 3.05Å; V13-K16 PolarHBondContact O-N 3.35Å; G14-K16 PolarHBondContact O-N 3.33Å; K16-A19 PolarHBondContact O-N 2.74Å; K16-Q20 PolarHBondContact O-N 3.05Å; K16-L36 HydrophobicContact CB-CD2 3.62Å; K16-I39 HydrophobicContact CB-CB 4.37Å; K16-I39 HydrophobicContact CB-CG2 4.22Å; K16-I39 HydrophobicContact CD-CB 4.25Å; K16-I39 HydrophobicContact CD-CG2 4.4Å; K16-I39 WeakPolarHBondContact CD-O 3.45Å; K16-I39 WeakPolarHBondContact CE-O 3.09Å; K16-I39 HydrophobicContact CG-CB 4.13Å; K16-I39 HydrophobicContact CG-CG2 3.81Å; K16-I39 PolarHBondContact NZ-O 2.81Å
17K97Very high95.2Very high52 Ų5263.3 Ų63.323%0.22632%0.321CS..Hα-helixtrans-65.4-43.3174.5-73.8179.6176.7-179.60111.6D5 E6 V13 G14 V15 A19 Q20 R21 L36D5-K17 HydrophobicContact CB-CD 3.95Å; D5-K17 IonicContact OD2-NZ 3.28Å; D5-K17 PolarHBondContact OD2-NZ 3.29Å; E6-K17 HydrophobicContact CG-CB 4.2Å; V13-K17 HydrophobicContact CG1-CD 4.37Å; V13-K17 WeakPolarHBondContact O-CG 3.48Å; V13-K17 PolarHBondContact O-N 2.94Å; G14-K17 PolarHBondContact O-N 3.26Å; V15-K17 PolarHBondContact O-N 3.13Å; K17-A19 VanDerWaalsContact C-N 3.3Å; K17-A19 PolarHBondContact O-N 3.42Å; K17-Q20 PolarHBondContact O-N 3.34Å; K17-R21 PolarHBondContact O-N 3.5Å; K17-L36 HydrophobicContact CG-CD1 4.03Å; K17-L36 HydrophobicContact CG-CD2 4Å
18A96.5Very high95.5Very high23 Ų2358.5 Ų58.519%0.1930%0.3CS..Hα-helixtrans-60.3-41.5175.100000111.6E6 G14 V15 R21 K22E6-A18 HydrophobicContact CB-CB 4.35Å; E6-A18 HydrophobicContact CG-CB 4.07Å; E6-A18 WeakPolarHBondContact OE1-CA 3.49Å; G14-A18 PolarHBondContact O-N 3.24Å; V15-A18 PolarHBondContact O-N 2.98Å; A18-R21 PolarHBondContact O-N 2.75Å; A18-K22 PolarHBondContact O-N 3.09Å
19A96.8Very high95.7Very high24 Ų2455.5 Ų55.520%0.19829%0.285CS..Hα-helixtrans-62.1-45175.300000112.3V15 K16 K17 R21 K22 L23 L68V15-A19 WeakPolarHBondContact O-CB 3.47Å; V15-A19 PolarHBondContact O-N 3.48Å; K16-A19 PolarHBondContact O-N 2.74Å; K17-A19 VanDerWaalsContact C-N 3.3Å; K17-A19 PolarHBondContact O-N 3.42Å; A19-R21 VanDerWaalsContact C-N 3.33Å; A19-R21 PolarHBondContact O-N 2.85Å; A19-K22 PolarHBondContact O-N 3.46Å; A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 VanDerWaalsContact O-CG 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.17Å; A19-L23 PolarHBondContact O-N 3.15Å; A19-L68 HydrophobicContact CB-CD1 3.54Å
20Q96.6Very high95.9Very high19 Ų1954.1 Ų54.19%0.08928%0.276CS..Hα-helixtrans-57.5-45.7173.9-75.1-171.2-36.900112K16 K17 K22 L23 L24 N31 V34 L36 I39K16-Q20 PolarHBondContact O-N 3.05Å; K17-Q20 PolarHBondContact O-N 3.34Å; Q20-K22 PolarHBondContact O-N 2.81Å; Q20-L23 PolarHBondContact O-N 3.15Å; Q20-L24 PolarHBondContact O-N 3.02Å; Q20-N31 PolarHBondContact OE1-ND2 3.39Å; Q20-V34 PolarHBondContact NE2-O 3.26Å; Q20-L36 HydrophobicContact CG-CD2 4.08Å; Q20-I39 HydrophobicContact CG-CD1 3.58Å
21R96.5Very high96Very high84 Ų8451.3 Ų51.332%0.31726%0.262SS..Hα-helixtrans-60.5-44.6178.1177.8176.553.471.6-0.5111.6F3 E6 K17 A18 A19 L24 H25F3-R21 VanDerWaalsContact CE2-CD 3.41Å; E6-R21 IonicContact OE1-CZ 3.57Å; E6-R21 IonicContact OE1-NE 3.56Å; E6-R21 PolarHBondContact OE1-NE 2.77Å; E6-R21 IonicContact OE1-NH2 2.75Å; E6-R21 PolarHBondContact OE1-NH2 3.29Å; E6-R21 IonicContact OE2-CZ 2.75Å; E6-R21 IonicContact OE2-NE 3.27Å; E6-R21 IonicContact OE2-NH2 3.41Å; E6-R21 PolarHBondContact OE2-NH2 3.35Å; K17-R21 PolarHBondContact O-N 3.5Å; A18-R21 PolarHBondContact O-N 2.75Å; A19-R21 VanDerWaalsContact C-N 3.33Å; A19-R21 PolarHBondContact O-N 2.85Å; R21-L24 PolarHBondContact O-N 3.13Å; R21-H25 WeakPolarHBondContact O-CB 3.18Å; R21-H25 PolarHBondContact O-N 2.84Å
22K96.6Very high96.2Very high79 Ų7950.9 Ų50.934%0.34326%0.264SS..Hα-helixtrans-70.9-39.2-179.4-72.5-71.5-93.9155.60112.5A18 A19 Q20 L24 H25 E26A18-K22 PolarHBondContact O-N 3.09Å; A19-K22 PolarHBondContact O-N 3.46Å; Q20-K22 PolarHBondContact O-N 2.81Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.29Å; K22-H25 PolarHBondContact O-N 3.29Å; K22-H25 VanDerWaalsContact O-N 3.16Å; K22-E26 WeakPolarHBondContact CD-OE1 3.4Å; K22-E26 WeakPolarHBondContact CE-OE1 3.34Å; K22-E26 IonicContact NZ-OE1 3.33Å; K22-E26 PolarHBondContact NZ-OE1 3.33Å; K22-E26 WeakPolarHBondContact O-CB 3.25Å; K22-E26 WeakPolarHBondContact O-CG 3.4Å; K22-E26 PolarHBondContact O-N 3.25Å
23L96.9Very high96.3Very high51 Ų5152.7 Ų52.727%0.26727%0.27SS..Hα-helixtrans-58.5-42.2171.9-74171.4000112.3A19 Q20 L27 G28 I29 V34A19-L23 WeakPolarHBondContact O-CB 3.4Å; A19-L23 VanDerWaalsContact O-CG 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.17Å; A19-L23 PolarHBondContact O-N 3.15Å; Q20-L23 PolarHBondContact O-N 3.15Å; L23-L27 HydrophobicContact CD2-CD1 3.86Å; L23-L27 CarbonylContact O-C 3.47Å; L23-L27 WeakPolarHBondContact O-CA 3.44Å; L23-L27 WeakPolarHBondContact O-CB 3.29Å; L23-L27 PolarHBondContact O-N 3.18Å; L23-G28 PolarHBondContact O-N 3.31Å; L23-G28 VanDerWaalsContact O-N 3.15Å; L23-I29 PolarHBondContact O-N 2.69Å; L23-V34 HydrophobicContact CD1-CB 4.45Å; L23-V34 HydrophobicContact CD1-CG1 4.01Å; L23-V34 HydrophobicContact CD1-CG2 4.35Å
24L96.8Very high96.2Very high84 Ų8450.9 Ų50.944%0.4426%0.259SS..Hα-helixtrans-68.1-40.7175.1179.360.4000112Q20 R21 K22 G28 I29Q20-L24 PolarHBondContact O-N 3.02Å; R21-L24 PolarHBondContact O-N 3.13Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-L24 PolarHBondContact O-N 3.29Å; L24-G28 WeakPolarHBondContact O-CA 3.41Å; L24-G28 PolarHBondContact O-N 3.36Å; L24-G28 VanDerWaalsContact O-N 3.15Å; L24-I29 WeakPolarHBondContact CA-O 3.18Å
25H96.9Very high96.2Very high90 Ų9052.8 Ų52.842%0.41727%0.272SS..Hα-helixtrans-70.9-41.2-177.2-176.8-131.9000113.3R21 K22 N89 E92R21-H25 WeakPolarHBondContact O-CB 3.18Å; R21-H25 PolarHBondContact O-N 2.84Å; K22-H25 PolarHBondContact O-N 3.29Å; K22-H25 VanDerWaalsContact O-N 3.16Å; H25-N89 VanDerWaalsContact O-CB 3.25Å; H25-N89 WeakPolarHBondContact O-CB 3.43Å; H25-E92 IonicContact CE1-OE1 2.68Å; H25-E92 PolarHBondContact CE1-OE1 3.41Å; H25-E92 IonicContact ND1-OE1 3.9Å
26E97.6Very high96.2Very high54 Ų5453.5 Ų53.525%0.25227%0.274SS..Hα-helixtrans-91.5-48.6-173.7-65.7172-151.400111.7K22 N89 E92 V93K22-E26 WeakPolarHBondContact CD-OE1 3.4Å; K22-E26 WeakPolarHBondContact CE-OE1 3.34Å; K22-E26 IonicContact NZ-OE1 3.33Å; K22-E26 PolarHBondContact NZ-OE1 3.33Å; K22-E26 WeakPolarHBondContact O-CB 3.25Å; K22-E26 WeakPolarHBondContact O-CG 3.4Å; K22-E26 PolarHBondContact O-N 3.25Å; E26-N89 PolarHBondContact O-N 3.15Å; E26-E92 HydrophobicContact CB-CB 4.38Å; E26-E92 HydrophobicContact CG-CB 4.04Å; E26-E92 HydrophobicContact CG-CG 4.26Å; E26-V93 HydrophobicContact CB-CG2 3.96Å
27L97.4Very high96Very high34 Ų3457.8 Ų57.818%0.17830%0.299CS..Hα-helixtrans-102.1-8.2-174-57.4179.3000113.1L23 I29 M86 K87 L88 V93L23-L27 HydrophobicContact CD2-CD1 3.86Å; L23-L27 CarbonylContact O-C 3.47Å; L23-L27 WeakPolarHBondContact O-CA 3.44Å; L23-L27 WeakPolarHBondContact O-CB 3.29Å; L23-L27 PolarHBondContact O-N 3.18Å; L27-I29 HydrophobicContact CB-CD1 3.9Å; L27-I29 HydrophobicContact CB-CG1 3.84Å; L27-I29 HydrophobicContact CD1-CD1 3.89Å; L27-I29 PolarHBondContact O-N 3.41Å; L27-M86 CarbonylContact O-C 3.59Å; L27-M86 WeakPolarHBondContact O-CA 3.36Å; L27-K87 CarbonylContact C-O 3.6Å; L27-K87 CarbonylContact O-C 3.37Å; L27-K87 PolarHBondContact O-N 2.94Å; L27-L88 HydrophobicContact CB-CD2 4.4Å; L27-L88 HydrophobicContact CD2-CD2 3.66Å; L27-V93 HydrophobicContact CD2-CG1 4.22Å; L27-V93 HydrophobicContact CD2-CG2 4.02Å
28G96.5Very high95.9Very high17 Ų1759.1 Ų59.118%0.17530%0.302CS..  trans72.68.6-176.600000114.6L23 L24 K30 K87L23-G28 PolarHBondContact O-N 3.31Å; L23-G28 VanDerWaalsContact O-N 3.15Å; L24-G28 WeakPolarHBondContact O-CA 3.41Å; L24-G28 PolarHBondContact O-N 3.36Å; L24-G28 VanDerWaalsContact O-N 3.15Å; G28-K30 PolarHBondContact O-N 3.3Å; G28-K87 WeakPolarHBondContact CA-O 3.5Å; G28-K87 PolarHBondContact N-O 3.22Å
29I96.7Very high95.9Very high12 Ų1258.2 Ų58.26%0.06229%0.294CS..  trans-75.3119.5-175.5-57.7173.2000109.7L23 L24 L27 F33 V34 L85 M86L23-I29 PolarHBondContact O-N 2.69Å; L24-I29 WeakPolarHBondContact CA-O 3.18Å; L27-I29 HydrophobicContact CB-CD1 3.9Å; L27-I29 HydrophobicContact CB-CG1 3.84Å; L27-I29 HydrophobicContact CD1-CD1 3.89Å; L27-I29 PolarHBondContact O-N 3.41Å; I29-F33 HydrophobicContact CG2-CB 4.06Å; I29-F33 HydrophobicContact CG2-CD2 4.47Å; I29-V34 HydrophobicContact CG2-CG2 3.44Å; I29-V34 VanDerWaalsContact CG2-CG2 3.44Å; I29-L85 HydrophobicContact CG2-CD1 4.38Å; I29-M86 HydrophobicContact CD1-CE 4.17Å; I29-M86 HydrophobicContact CD1-CG 4.06Å; I29-M86 HydrophobicContact CG1-CG 3.93Å
30K95.5Very high95.8Very high133 Ų13360 Ų6058%0.57830%0.299SS*.  trans-69.8144.2178.6-63.7179.5-177.8175.10111.8G28 T32 F33G28-K30 PolarHBondContact O-N 3.3Å; K30-T32 PolarHBondContact O-N 3.16Å; K30-F33 HydrophobicContact CB-CD2 4.12Å; K30-F33 HydrophobicContact CB-CE2 4.41Å; K30-F33 PolarHBondContact O-N 2.94Å
31N94.7Very high95.8Very high69 Ų6960.6 Ų60.637%0.36930%0.301SS..THydrogen-bonded Turntrans-56.1-20.3177.2-60.511.8000113.8Q20 F33 V34Q20-N31 PolarHBondContact OE1-ND2 3.39Å; N31-F33 VanDerWaalsContact C-N 3.26Å; N31-F33 PolarHBondContact O-N 3.47Å; N31-V34 CarbonylContact O-C 3.27Å; N31-V34 VanDerWaalsContact O-C 3.27Å; N31-V34 PolarHBondContact O-N 2.95Å
32T94Very high95.8Very high115 Ų11556.6 Ų56.671%0.70629%0.286SS*.THydrogen-bonded Turntrans-63.4-29.3173.750.30000113.2K30K30-T32 PolarHBondContact O-N 3.16Å
33F94.4Very high95.7Very high43 Ų4352.9 Ų52.919%0.18927%0.27CS..THydrogen-bonded Turntrans-85.9-21.3176.1-63.7-68.3000112.8I29 K30 N31 P35 L72 T77 L80 L85I29-F33 HydrophobicContact CG2-CB 4.06Å; I29-F33 HydrophobicContact CG2-CD2 4.47Å; K30-F33 HydrophobicContact CB-CD2 4.12Å; K30-F33 HydrophobicContact CB-CE2 4.41Å; K30-F33 PolarHBondContact O-N 2.94Å; N31-F33 VanDerWaalsContact C-N 3.26Å; N31-F33 PolarHBondContact O-N 3.47Å; F33-P35 VanDerWaalsContact C-CD 3.47Å; F33-L72 HydrophobicContact CB-CD2 4.31Å; F33-T77 HydrophobicContact CD1-CG2 4.46Å; F33-L80 HydrophobicContact CD1-CD2 4.38Å; F33-L80 HydrophobicContact CE1-CD2 3.49Å; F33-L80 VanDerWaalsContact CE1-CD2 3.49Å; F33-L80 HydrophobicContact CE2-CD2 4.16Å; F33-L80 HydrophobicContact CZ-CD2 3.35Å; F33-L85 HydrophobicContact CB-CD1 4.21Å; F33-L85 HydrophobicContact CD1-CD1 4.09Å; F33-L85 HydrophobicContact CD2-CD1 3.89Å; F33-L85 HydrophobicContact CE1-CD1 4.46Å; F33-L85 HydrophobicContact CE2-CD1 4.26Å; F33-L85 HydrophobicContact CG-CD1 3.8Å
34V94.6Very high95.7Very high7 Ų753.2 Ų53.24%0.04227%0.268CS..SBendtrans-131.957.8-173.2-148.90000110.4Q20 L23 I29 N31 I39 S70Q20-V34 PolarHBondContact NE2-O 3.26Å; L23-V34 HydrophobicContact CD1-CB 4.45Å; L23-V34 HydrophobicContact CD1-CG1 4.01Å; L23-V34 HydrophobicContact CD1-CG2 4.35Å; I29-V34 HydrophobicContact CG2-CG2 3.44Å; I29-V34 VanDerWaalsContact CG2-CG2 3.44Å; N31-V34 CarbonylContact O-C 3.27Å; N31-V34 VanDerWaalsContact O-C 3.27Å; N31-V34 PolarHBondContact O-N 2.95Å; V34-I39 HydrophobicContact CG1-CD1 4.15Å; V34-I39 HydrophobicContact CG1-CG1 3.95Å; V34-S70 WeakPolarHBondContact CG1-OG 3.4Å
35P95.2Very high95.7Very high41 Ų4149.5 Ų49.527%0.26625%0.248SC..  trans-62.6152.2-177.329-36.7000111.2F33 N37 R38 I39F33-P35 VanDerWaalsContact C-CD 3.47Å; P35-N37 WeakPolarHBondContact CB-OD1 3.32Å; P35-N37 WeakPolarHBondContact CG-OD1 3.39Å; P35-N37 PolarHBondContact O-N 3.47Å; P35-R38 HydrophobicContact CG-CB 4.12Å; P35-R38 HydrophobicContact CG-CG 3.81Å; P35-R38 PolarHBondContact O-N 2.86Å; P35-I39 PolarHBondContact O-N 3.46Å
36L95.6Very high95.7Very high57 Ų5747.7 Ų47.730%0.29824%0.241SC..G310 helixtrans-56-30.5-173.3-72.5175.4000113.9K16 K17 Q20 R38 I39K16-L36 HydrophobicContact CB-CD2 3.62Å; K17-L36 HydrophobicContact CG-CD1 4.03Å; K17-L36 HydrophobicContact CG-CD2 4Å; Q20-L36 HydrophobicContact CG-CD2 4.08Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.41Å; L36-I39 PolarHBondContact O-N 3.04Å
37N94Very high95.6Very high125 Ų12545.4 Ų45.467%0.66823%0.23SC*.G310 helixtrans-74.6-10.9177.666.5-18.7000114P35P35-N37 WeakPolarHBondContact CB-OD1 3.32Å; P35-N37 WeakPolarHBondContact CG-OD1 3.39Å; P35-N37 PolarHBondContact O-N 3.47Å
38R93.9Very high95.4Very high80 Ų8046.2 Ų46.230%0.30224%0.242SC..G310 helixtrans-103.30.7172.8-64.8-174.383.7111.84.3113.2P35 L36 H40 S70 V71 D73P35-R38 HydrophobicContact CG-CB 4.12Å; P35-R38 HydrophobicContact CG-CG 3.81Å; P35-R38 PolarHBondContact O-N 2.86Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.41Å; R38-H40 PolarHBondContact O-CD2 3.26Å; R38-S70 WeakPolarHBondContact O-CA 3.49Å; R38-S70 WeakPolarHBondContact O-CB 3.36Å; R38-S70 PolarHBondContact O-OG 2.79Å; R38-V71 PolarHBondContact NE-O 2.96Å; R38-V71 PolarHBondContact NH2-O 3.24Å; R38-D73 IonicContact NH1-OD2 3.98Å; R38-D73 PolarHBondContact NH1-OD2 3Å
39I96.5Very high95.2Very high4 Ų445.6 Ų45.62%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-95.8111.4169.7-54.6177.9000107.6K16 Q20 V34 P35 L36 L68K16-I39 HydrophobicContact CB-CB 4.37Å; K16-I39 HydrophobicContact CB-CG2 4.22Å; K16-I39 HydrophobicContact CD-CB 4.25Å; K16-I39 HydrophobicContact CD-CG2 4.4Å; K16-I39 WeakPolarHBondContact CD-O 3.45Å; K16-I39 WeakPolarHBondContact CE-O 3.09Å; K16-I39 HydrophobicContact CG-CB 4.13Å; K16-I39 HydrophobicContact CG-CG2 3.81Å; K16-I39 PolarHBondContact NZ-O 2.81Å; Q20-I39 HydrophobicContact CG-CD1 3.58Å; V34-I39 HydrophobicContact CG1-CD1 4.15Å; V34-I39 HydrophobicContact CG1-CG1 3.95Å; P35-I39 PolarHBondContact O-N 3.46Å; L36-I39 PolarHBondContact O-N 3.04Å; I39-L68 HydrophobicContact CG2-CB 4.04Å; I39-L68 HydrophobicContact CG2-CD1 4.03Å; I39-L68 HydrophobicContact CG2-CD2 4.45Å; I39-L68 HydrophobicContact CG2-CG 4.4Å
40H95.7Very high94.7Very high63 Ų6348.6 Ų48.629%0.29226%0.256SS..EExtended strand (participates in β ladder)trans-104.3128.7-175.9-57.5-93.1000110.1R38 L68 V69 W149R38-H40 PolarHBondContact O-CD2 3.26Å; H40-L68 CarbonylContact O-C 3.53Å; H40-L68 WeakPolarHBondContact O-CA 3.49Å; H40-V69 HydrophobicContact CB-CG1 3.82Å; H40-V69 PolarHBondContact N-O 3.42Å; H40-V69 PolarHBondContact O-N 3.33Å; H40-W149 HydrophobicContact CB-CH2 3.74Å; H40-W149 HydrophobicContact CB-CZ2 3.79Å; H40-W149 AromaticContact CD2-CH2 3.39Å; H40-W149 WeakPolarHBondContact CD2-CH2 3.15Å; H40-W149 AromaticContact CG-CH2 3.42Å; H40-W149 VanDerWaalsContact CG-CH2 3.42Å; H40-W149 AromaticContact CG-CZ2 3.7Å; H40-W149 AromaticContact ND1-CH2 3.98Å; H40-W149 AromaticContact ND1-CZ2 4Å; H40-W149 AromaticContact NE2-CH2 3.95Å
41F96.3Very high94.2Very high31 Ų3145.1 Ų45.114%0.13624%0.244CC..EExtended strand (participates in β ladder)trans-85.3125.7172.8168.1-119.8000109.2A12 G43 R44 Y66 L68 R171A12-F41 HydrophobicContact CB-CB 4.07Å; A12-F41 HydrophobicContact CB-CD1 4.32Å; A12-F41 HydrophobicContact CB-CD2 4.46Å; A12-F41 HydrophobicContact CB-CG 4.04Å; F41-G43 VanDerWaalsContact CE2-C 3.48Å; F41-G43 WeakPolarHBondContact CE2-O 3.49Å; F41-R44 HydrophobicContact CE2-CG 3.99Å; F41-R44 HydrophobicContact CZ-CG 4.06Å; F41-Y66 AromaticContact CD2-CD1 3.62Å; F41-Y66 HydrophobicContact CD2-CD1 3.62Å; F41-Y66 HydrophobicContact CD2-CE1 4.4Å; F41-Y66 HydrophobicContact CD2-CG 4.48Å; F41-Y66 AromaticContact CE2-CD1 3.28Å; F41-Y66 HydrophobicContact CE2-CD1 3.28Å; F41-Y66 AromaticContact CE2-CE1 3.86Å; F41-Y66 HydrophobicContact CE2-CE1 3.86Å; F41-Y66 HydrophobicContact CE2-CG 4.11Å; F41-Y66 HydrophobicContact CZ-CD1 4.07Å; F41-Y66 HydrophobicContact CZ-CE1 4.18Å; F41-L68 HydrophobicContact CB-CD2 4.15Å; F41-L68 HydrophobicContact CD2-CD2 4.23Å; F41-R171 HydrophobicContact CD1-CB 4.29Å; F41-R171 HydrophobicContact CD1-CG 4.1Å; F41-R171 HydrophobicContact CE1-CB 3.77Å; F41-R171 HydrophobicContact CE1-CG 4.03Å; F41-R171 PolarHBondContact O-NE 3.02Å
42L95.6Very high93.5Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-108-31.4-177.5-61.2-174.9000113.1I67 V69 L146 W149 W169 R171L42-I67 HydrophobicContact CB-CB 4.32Å; L42-I67 HydrophobicContact CB-CG2 4.02Å; L42-I67 HydrophobicContact CD1-CG2 4.15Å; L42-I67 HydrophobicContact CG-CG2 4.48Å; L42-I67 PolarHBondContact N-O 2.94Å; L42-V69 HydrophobicContact CD1-CB 4.11Å; L42-V69 HydrophobicContact CD1-CG1 3.67Å; L42-V69 HydrophobicContact CD2-CG1 4.07Å; L42-V69 HydrophobicContact CG-CG1 3.83Å; L42-L146 HydrophobicContact CD1-CG 4.41Å; L42-W149 HydrophobicContact CD1-CG 4.47Å; L42-W149 HydrophobicContact CD2-CD2 4.09Å; L42-W149 HydrophobicContact CD2-CG 4.19Å; L42-W149 HydrophobicContact CD2-CZ2 4.34Å; L42-W169 HydrophobicContact CB-CD2 3.77Å; L42-W169 HydrophobicContact CB-CE3 3.76Å; L42-W169 HydrophobicContact CB-CG 4.17Å; L42-W169 HydrophobicContact CB-CZ3 4.17Å; L42-W169 HydrophobicContact CD1-CD2 4.27Å; L42-W169 HydrophobicContact CD1-CH2 4.34Å; L42-W169 HydrophobicContact CD1-CZ2 3.85Å; L42-W169 HydrophobicContact CD2-CG 4.28Å; L42-W169 HydrophobicContact CG-CD2 4.43Å; L42-W169 WeakPolarHBondContact O-CB 3.45Å; L42-R171 WeakPolarHBondContact O-CG 3.29Å
43G95.1Very high92.6Very high1 Ų146.5 Ų46.51%0.0125%0.25CC..EExtended strand (participates in β ladder)trans166.9-173.3-178.900000112.3F41 I67F41-G43 VanDerWaalsContact CE2-C 3.48Å; F41-G43 WeakPolarHBondContact CE2-O 3.49Å; G43-I67 PolarHBondContact O-N 2.7Å
44R96.5Very high91.3Very high58 Ų5849.1 Ų49.122%0.21927%0.272CS..EExtended strand (participates in β ladder)trans-124143.1179.6-73.1163.3-71.9-174.8-2.7111.4F41 L64 D65 Y66 R171 T172 I174 I175F41-R44 HydrophobicContact CE2-CG 3.99Å; F41-R44 HydrophobicContact CZ-CG 4.06Å; R44-L64 HydrophobicContact CB-CD1 3.88Å; R44-D65 CarbonylContact C-O 3.56Å; R44-D65 WeakPolarHBondContact CA-O 3.43Å; R44-Y66 HydrophobicContact CG-CD1 4.23Å; R44-Y66 HydrophobicContact CG-CD2 4.25Å; R44-Y66 HydrophobicContact CG-CE1 4.29Å; R44-Y66 HydrophobicContact CG-CE2 4.3Å; R44-Y66 HydrophobicContact CG-CG 4.19Å; R44-R171 PolarHBondContact NH2-O 3.16Å; R44-T172 PolarHBondContact NH2-O 2.95Å; R44-I174 HydrophobicContact CB-CG1 4.42Å; R44-I175 PolarHBondContact O-N 3.26Å
45V96.8Very high90.2Very high6 Ų652.4 Ų52.44%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-116.3137.1171.9-68.20000109.7L64 D65 I67 L137 L142 I175 L177V45-L64 CarbonylContact O-C 3.35Å; V45-L64 WeakPolarHBondContact O-CA 3.38Å; V45-D65 HydrophobicContact CG2-CB 3.67Å; V45-D65 PolarHBondContact N-O 2.83Å; V45-D65 PolarHBondContact O-N 2.82Å; V45-I67 HydrophobicContact CG1-CD1 3.76Å; V45-I67 HydrophobicContact CG1-CG1 4.24Å; V45-L137 HydrophobicContact CG1-CD2 3.98Å; V45-L142 HydrophobicContact CG1-CD1 4.05Å; V45-I175 CarbonylContact C-O 3.52Å; V45-I175 VanDerWaalsContact CA-O 3.23Å; V45-I175 WeakPolarHBondContact CA-O 3.05Å; V45-I175 HydrophobicContact CG1-CB 4.1Å; V45-L177 HydrophobicContact CB-CD1 4.23Å; V45-L177 HydrophobicContact CB-CG 4.31Å
46L97.1Very high88.7Confident51 Ų5160.4 Ų60.427%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-111.5125171178.362.4000108.3E63 L64 I174 I175 L177L46-E63 WeakPolarHBondContact CA-O 3.42Å; L46-E63 WeakPolarHBondContact CD1-O 3.42Å; L46-L64 HydrophobicContact CB-CD1 4.22Å; L46-L64 HydrophobicContact CD1-CB 4.42Å; L46-I174 HydrophobicContact CB-CG2 3.64Å; L46-I175 PolarHBondContact N-O 2.96Å; L46-L177 PolarHBondContact O-N 3.16Å
47Y95.9Very high87.2Confident6 Ų662.2 Ų62.22%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-146.4161.3179.774.1-76.9000111.4A49 E61 H62 E63 D65 W133 L177Y47-A49 HydrophobicContact CD2-CB 4.38Å; Y47-E61 HydrophobicContact CE2-CB 3.8Å; Y47-E61 WeakPolarHBondContact CE2-OE2 3.37Å; Y47-E61 PolarHBondContact OH-OE2 3.11Å; Y47-H62 WeakPolarHBondContact O-CA 3.28Å; Y47-E63 HydrophobicContact CE1-CB 3.82Å; Y47-E63 PolarHBondContact N-O 2.96Å; Y47-E63 PolarHBondContact O-N 3.32Å; Y47-E63 VanDerWaalsContact O-N 3.09Å; Y47-E63 PolarHBondContact OH-OE2 3.48Å; Y47-D65 HydrophobicContact CE1-CB 4.25Å; Y47-D65 VanDerWaalsContact CE1-OD2 3.31Å; Y47-D65 WeakPolarHBondContact CE1-OD2 3.46Å; Y47-D65 PolarHBondContact OH-OD2 2.94Å; Y47-W133 HydrophobicContact CD2-CB 4.18Å; Y47-W133 HydrophobicContact CE1-CB 4.15Å; Y47-W133 HydrophobicContact CE2-CB 3.75Å; Y47-L177 HydrophobicContact CG-CD1 4.46Å
48A93.8Very high86.2Confident52 Ų5260.7 Ų60.743%0.4335%0.345SS..EExtended strand (participates in β ladder)trans-139.2130.7168.100000108.6E61 H62A48-E61 CarbonylContact C-O 3.47Å; A48-E61 VanDerWaalsContact CA-O 3.23Å; A48-E61 WeakPolarHBondContact CA-O 3.47Å; A48-H62 HydrophobicContact CB-CB 4.33Å
49A91Very high85.6Confident4 Ų461.9 Ų61.93%0.03336%0.356CS..EExtended strand (participates in β ladder)trans-147138-179.100000110.9Y47 A60 E61 P132 V182Y47-A49 HydrophobicContact CD2-CB 4.38Å; A49-A60 CarbonylContact O-C 3.37Å; A49-A60 VanDerWaalsContact O-CA 3.28Å; A49-A60 WeakPolarHBondContact O-CA 3.38Å; A49-A60 WeakPolarHBondContact O-CB 3.22Å; A49-E61 PolarHBondContact N-O 3.41Å; A49-E61 PolarHBondContact O-N 2.9Å; A49-P132 HydrophobicContact CB-CB 3.44Å; A49-P132 VanDerWaalsContact CB-CB 3.44Å; A49-P132 HydrophobicContact CB-CG 3.89Å; A49-V182 HydrophobicContact CB-CG2 4.3Å
50P87.7Confident85.2Confident75 Ų7565.1 Ų65.149%0.48738%0.384SS..EExtended strand (participates in β ladder)trans-68150.7169.131.1-33.8000110.3
51N83.1Confident84.9Confident60 Ų6065 Ų6532%0.32138%0.383SS..  trans-63.9139171.2-74.718.4000109.9P53 C54 L59N51-P53 CarbonylContact O-C 3.5Å; N51-C54 WeakPolarHBondContact O-CA 3.16Å; N51-C54 PolarHBondContact O-N 3.29Å; N51-L59 HydrophobicContact CB-CB 4.03Å; N51-L59 WeakPolarHBondContact CB-O 3.36Å; N51-L59 PolarHBondContact N-O 2.75Å; N51-L59 WeakPolarHBondContact ND2-CB 3.49Å
52E80.2Confident84.8Confident99 Ų9970.5 Ų70.546%0.46341%0.409SS..SBendtrans-114.1130.1176.9-67-175-172.700110.1R135E52-R135 IonicContact OE1-CZ 2.7Å; E52-R135 IonicContact OE1-NH1 3.84Å; E52-R135 PolarHBondContact OE1-NH1 3.39Å; E52-R135 IonicContact OE1-NH2 3.78Å; E52-R135 IonicContact OE2-CZ 3.89Å; E52-R135 IonicContact OE2-NH1 3Å; E52-R135 PolarHBondContact OE2-NH1 3.27Å; E52-R135 VanDerWaalsContact OE2-NH1 3.09Å; E52-R135 IonicContact OE2-NH2 2.7Å; E52-R135 PolarHBondContact OE2-NH2 3.06Å
53P75.2Confident84.7Confident114 Ų11474.4 Ų74.474%0.7443%0.427SS*.SBendcis-71.2144.4-4.731-34.6000112.2N51 T55N51-P53 CarbonylContact O-C 3.5Å; P53-T55 PolarHBondContact O-N 2.7Å
54C68.7Low84.7Confident97 Ų9777.9 Ų77.966%0.65545%0.445SS*.  trans-67104.3178.6-165.90000109.6N51N51-C54 WeakPolarHBondContact O-CA 3.16Å; N51-C54 PolarHBondContact O-N 3.29Å
55T70.9Confident84.6Confident77 Ų7777.7 Ų77.747%0.47245%0.449SS..  trans-80.1172.1175.269.40000110.8P53 T57P53-T55 PolarHBondContact O-N 2.7Å; T55-T57 CarbonylContact O-C 3.38Å; T55-T57 PolarHBondContact O-N 3.03Å; T55-T57 VanDerWaalsContact O-N 3.13Å; T55-T57 PolarHBondContact OG1-O 3.26Å; T55-T57 PolarHBondContact OG1-OG1 3.43Å
56Q63.1Low84.6Confident209 Ų20980.6 Ų80.698%0.97746%0.46SS*.SBendtrans-57.1-27.7175.8-74.4177.50.100112.7
57T64.1Low84.6Confident95 Ų9578.9 Ų78.958%0.58345%0.45SS*.SBendtrans-85.3110.1166.439.90000109.5T55 L59T55-T57 CarbonylContact O-C 3.38Å; T55-T57 PolarHBondContact O-N 3.03Å; T55-T57 VanDerWaalsContact O-N 3.13Å; T55-T57 PolarHBondContact OG1-O 3.26Å; T55-T57 PolarHBondContact OG1-OG1 3.43Å; T57-L59 VanDerWaalsContact C-N 3.29Å; T57-L59 PolarHBondContact O-N 3.04Å
58A72.6Confident84.6Confident93 Ų9380.7 Ų80.777%0.76946%0.46SS*.  trans-71.883.3175.800000110.2
59L81.8Confident84.7Confident104 Ų10478.8 Ų78.855%0.54544%0.443SS..  trans-81.4142.3163.8-65.2175.7000108.7N51 T57N51-L59 HydrophobicContact CB-CB 4.03Å; N51-L59 WeakPolarHBondContact CB-O 3.36Å; N51-L59 PolarHBondContact N-O 2.75Å; N51-L59 WeakPolarHBondContact ND2-CB 3.49Å; T57-L59 VanDerWaalsContact C-N 3.29Å; T57-L59 PolarHBondContact O-N 3.04Å
60A88Confident84.9Confident73 Ų7380.6 Ų80.660%0.60346%0.456SS*.EExtended strand (participates in β ladder)trans-150.1148.5178.700000109.9A49A49-A60 CarbonylContact O-C 3.37Å; A49-A60 VanDerWaalsContact O-CA 3.28Å; A49-A60 WeakPolarHBondContact O-CA 3.38Å; A49-A60 WeakPolarHBondContact O-CB 3.22Å
61E89.3Confident85.2Confident59 Ų5978.5 Ų78.528%0.27644%0.442SS..EExtended strand (participates in β ladder)trans-89.4139.4168.2-67.6169.8172.300108.8Y47 A48 A49Y47-E61 HydrophobicContact CE2-CB 3.8Å; Y47-E61 WeakPolarHBondContact CE2-OE2 3.37Å; Y47-E61 PolarHBondContact OH-OE2 3.11Å; A48-E61 CarbonylContact C-O 3.47Å; A48-E61 VanDerWaalsContact CA-O 3.23Å; A48-E61 WeakPolarHBondContact CA-O 3.47Å; A49-E61 PolarHBondContact N-O 3.41Å; A49-E61 PolarHBondContact O-N 2.9Å
62H93.6Very high85.7Confident148 Ų14877.6 Ų77.669%0.68544%0.436SS*.EExtended strand (participates in β ladder)trans-148.489.1170.3-178-160.1000108.3Y47 A48Y47-H62 WeakPolarHBondContact O-CA 3.28Å; A48-H62 HydrophobicContact CB-CB 4.33Å
63E93.5Very high86.1Confident81 Ų8175.4 Ų75.438%0.37943%0.428SS..EExtended strand (participates in β ladder)trans-132.6143.8-161.1-61-171.5151.500112.6L46 Y47L46-E63 WeakPolarHBondContact CA-O 3.42Å; L46-E63 WeakPolarHBondContact CD1-O 3.42Å; Y47-E63 HydrophobicContact CE1-CB 3.82Å; Y47-E63 PolarHBondContact N-O 2.96Å; Y47-E63 PolarHBondContact O-N 3.32Å; Y47-E63 VanDerWaalsContact O-N 3.09Å; Y47-E63 PolarHBondContact OH-OE2 3.48Å
64L95Very high86.7Confident74 Ų7474.3 Ų74.339%0.38742%0.421SS..EExtended strand (participates in β ladder)trans-97.991.3163178.864.8000107.9R44 V45 L46 I174R44-L64 HydrophobicContact CB-CD1 3.88Å; V45-L64 CarbonylContact O-C 3.35Å; V45-L64 WeakPolarHBondContact O-CA 3.38Å; L46-L64 HydrophobicContact CB-CD1 4.22Å; L46-L64 HydrophobicContact CD1-CB 4.42Å; L64-I174 HydrophobicContact CD1-CD1 4.01Å; L64-I174 HydrophobicContact CD1-CG1 4.12Å; L64-I174 HydrophobicContact CD1-CG2 3.64Å; L64-I174 HydrophobicContact CD2-CD1 4.4Å
65D95.7Very high87.6Confident54 Ų5475.5 Ų75.529%0.28943%0.425SS..EExtended strand (participates in β ladder)trans-89.8142.5-173.6-95.6-13.2000112.8R44 V45 Y47R44-D65 CarbonylContact C-O 3.56Å; R44-D65 WeakPolarHBondContact CA-O 3.43Å; V45-D65 HydrophobicContact CG2-CB 3.67Å; V45-D65 PolarHBondContact N-O 2.83Å; V45-D65 PolarHBondContact O-N 2.82Å; Y47-D65 HydrophobicContact CE1-CB 4.25Å; Y47-D65 VanDerWaalsContact CE1-OD2 3.31Å; Y47-D65 WeakPolarHBondContact CE1-OD2 3.46Å; Y47-D65 PolarHBondContact OH-OD2 2.94Å
66Y96.1Very high88.4Confident68 Ų6874.7 Ų74.727%0.26743%0.426SS..EExtended strand (participates in β ladder)trans-91.6123.7174.8-76.1-114.7000109.4A12 V15 F41 R44 L68A12-Y66 HydrophobicContact CB-CD1 4.34Å; A12-Y66 HydrophobicContact CB-CE1 4.24Å; V15-Y66 HydrophobicContact CB-CD1 4.32Å; V15-Y66 HydrophobicContact CB-CG 4.42Å; V15-Y66 HydrophobicContact CG1-CD1 4.12Å; V15-Y66 HydrophobicContact CG1-CD2 4.33Å; V15-Y66 HydrophobicContact CG1-CG 3.83Å; V15-Y66 HydrophobicContact CG2-CD1 4.04Å; V15-Y66 HydrophobicContact CG2-CD2 4.08Å; V15-Y66 HydrophobicContact CG2-CE1 4.02Å; V15-Y66 HydrophobicContact CG2-CE2 4.07Å; V15-Y66 HydrophobicContact CG2-CG 4.09Å; F41-Y66 AromaticContact CD2-CD1 3.62Å; F41-Y66 HydrophobicContact CD2-CD1 3.62Å; F41-Y66 HydrophobicContact CD2-CE1 4.4Å; F41-Y66 HydrophobicContact CD2-CG 4.48Å; F41-Y66 AromaticContact CE2-CD1 3.28Å; F41-Y66 HydrophobicContact CE2-CD1 3.28Å; F41-Y66 AromaticContact CE2-CE1 3.86Å; F41-Y66 HydrophobicContact CE2-CE1 3.86Å; F41-Y66 HydrophobicContact CE2-CG 4.11Å; F41-Y66 HydrophobicContact CZ-CD1 4.07Å; F41-Y66 HydrophobicContact CZ-CE1 4.18Å; R44-Y66 HydrophobicContact CG-CD1 4.23Å; R44-Y66 HydrophobicContact CG-CD2 4.25Å; R44-Y66 HydrophobicContact CG-CE1 4.29Å; R44-Y66 HydrophobicContact CG-CE2 4.3Å; R44-Y66 HydrophobicContact CG-CG 4.19Å; Y66-L68 PolarHBondContact O-N 3.4Å
67I96.9Very high89.6Confident14 Ų1466.3 Ų66.37%0.07239%0.389CS..EExtended strand (participates in β ladder)trans-77.8107.7169.3-58177.3000107.7L42 G43 V45 L137 L146 W169L42-I67 HydrophobicContact CB-CB 4.32Å; L42-I67 HydrophobicContact CB-CG2 4.02Å; L42-I67 HydrophobicContact CD1-CG2 4.15Å; L42-I67 HydrophobicContact CG-CG2 4.48Å; L42-I67 PolarHBondContact N-O 2.94Å; G43-I67 PolarHBondContact O-N 2.7Å; V45-I67 HydrophobicContact CG1-CD1 3.76Å; V45-I67 HydrophobicContact CG1-CG1 4.24Å; I67-L137 HydrophobicContact CD1-CD2 4.33Å; I67-L146 HydrophobicContact CG2-CD1 4Å; I67-W169 HydrophobicContact CD1-CH2 4.35Å; I67-W169 HydrophobicContact CD1-CZ3 3.95Å
68L96.9Very high90.7Very high45 Ų4571.6 Ų71.624%0.23640%0.398CS..EExtended strand (participates in β ladder)trans-108.6141.8171.6-53.4-179.4000110V15 A19 I39 H40 F41 Y66V15-L68 HydrophobicContact CG1-CD1 3.81Å; V15-L68 HydrophobicContact CG1-CD2 4.26Å; V15-L68 HydrophobicContact CG1-CG 4.33Å; A19-L68 HydrophobicContact CB-CD1 3.54Å; I39-L68 HydrophobicContact CG2-CB 4.04Å; I39-L68 HydrophobicContact CG2-CD1 4.03Å; I39-L68 HydrophobicContact CG2-CD2 4.45Å; I39-L68 HydrophobicContact CG2-CG 4.4Å; H40-L68 CarbonylContact O-C 3.53Å; H40-L68 WeakPolarHBondContact O-CA 3.49Å; F41-L68 HydrophobicContact CB-CD2 4.15Å; F41-L68 HydrophobicContact CD2-CD2 4.23Å; Y66-L68 PolarHBondContact O-N 3.4Å
69V96Very high91.5Very high11 Ų1174.3 Ų74.37%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-129.1141172.565.10000109.7H40 L42 L146 W149H40-V69 HydrophobicContact CB-CG1 3.82Å; H40-V69 PolarHBondContact N-O 3.42Å; H40-V69 PolarHBondContact O-N 3.33Å; L42-V69 HydrophobicContact CD1-CB 4.11Å; L42-V69 HydrophobicContact CD1-CG1 3.67Å; L42-V69 HydrophobicContact CD2-CG1 4.07Å; L42-V69 HydrophobicContact CG-CG1 3.83Å; V69-L146 HydrophobicContact CG2-CD2 4.12Å; V69-L146 HydrophobicContact CG2-CG 4.34Å; V69-W149 HydrophobicContact CB-CE3 4.36Å; V69-W149 HydrophobicContact CB-CZ3 4.33Å; V69-W149 HydrophobicContact CG1-CD2 4.07Å; V69-W149 HydrophobicContact CG1-CE3 3.46Å; V69-W149 VanDerWaalsContact CG1-CE3 3.46Å; V69-W149 HydrophobicContact CG1-CH2 3.78Å; V69-W149 HydrophobicContact CG1-CZ2 4.27Å; V69-W149 HydrophobicContact CG1-CZ3 3.32Å; V69-W149 HydrophobicContact CG2-CE3 4.01Å; V69-W149 HydrophobicContact CG2-CZ3 4.02Å
70S95.1Very high91.9Very high43 Ų4371.6 Ų71.630%0.30139%0.386SS..EExtended strand (participates in β ladder)trans-137.1132.7170.4176.60000109.6V34 R38V34-S70 WeakPolarHBondContact CG1-OG 3.4Å; R38-S70 WeakPolarHBondContact O-CA 3.49Å; R38-S70 WeakPolarHBondContact O-CB 3.36Å; R38-S70 PolarHBondContact O-OG 2.79Å
71V93.9Very high92.1Very high31 Ų3171.2 Ų71.219%0.18838%0.377CS..  trans-107.5117176.8-179.10000108.7R38 W149 A150R38-V71 PolarHBondContact NE-O 2.96Å; R38-V71 PolarHBondContact NH2-O 3.24Å; V71-W149 HydrophobicContact CG2-CZ3 4.23Å; V71-A150 HydrophobicContact CG2-CB 4Å
72L92.8Very high92.1Very high40 Ų4072.5 Ų72.521%0.20939%0.385CS..  trans-59.4139.8178-69.5178.3000110.4F33 P74 T77 L85 W98F33-L72 HydrophobicContact CB-CD2 4.31Å; L72-P74 WeakPolarHBondContact O-CD 3.4Å; L72-T77 HydrophobicContact CB-CG2 4.15Å; L72-T77 HydrophobicContact CD1-CG2 4.34Å; L72-L85 HydrophobicContact CD1-CD2 3.77Å; L72-W98 HydrophobicContact CD1-CH2 3.64Å; L72-W98 HydrophobicContact CD1-CZ2 4.1Å
73D90Very high91.9Very high53 Ų5370.3 Ų70.328%0.28338%0.383SS..  trans-71.6115.3177.2-171.7-30.4000110R38 V75 A76 T77R38-D73 IonicContact NH1-OD2 3.98Å; R38-D73 PolarHBondContact NH1-OD2 3Å; D73-V75 PolarHBondContact O-N 3.21Å; D73-V75 VanDerWaalsContact O-N 3.16Å; D73-V75 WeakPolarHBondContact OD1-CB 2.84Å; D73-V75 PolarHBondContact OD1-N 3.48Å; D73-A76 HydrophobicContact CB-CB 3.9Å; D73-A76 PolarHBondContact O-N 3.3Å; D73-T77 PolarHBondContact O-N 3.04Å; D73-T77 PolarHBondContact O-OG1 3.28Å; D73-T77 VanDerWaalsContact O-OG1 3.05Å
74P87.1Confident91.8Very high91 Ų9170.7 Ų70.759%0.59139%0.387SS*.Hα-helixtrans-62.8-24.3-177.626.7-35.2000112.6L72 R78L72-P74 WeakPolarHBondContact O-CD 3.4Å; P74-R78 WeakPolarHBondContact O-CA 3.42Å; P74-R78 WeakPolarHBondContact O-CB 3.4Å; P74-R78 PolarHBondContact O-N 2.83Å; P74-R78 VanDerWaalsContact O-N 3.1Å
75V88.2Confident91.7Very high123 Ų12367.5 Ų67.575%0.74537%0.371SS*.Hα-helixtrans-74.4-41.1176.4-177.40000110.4D73 T77D73-V75 PolarHBondContact O-N 3.21Å; D73-V75 VanDerWaalsContact O-N 3.16Å; D73-V75 WeakPolarHBondContact OD1-CB 2.84Å; D73-V75 PolarHBondContact OD1-N 3.48Å; V75-T77 VanDerWaalsContact C-N 3.33Å
76A87.6Confident91.6Very high59 Ų5965.9 Ų65.949%0.48836%0.362SS..Hα-helixtrans-72.4-26.618000000112.8D73D73-A76 HydrophobicContact CB-CB 3.9Å; D73-A76 PolarHBondContact O-N 3.3Å
77T88.3Confident91.5Very high33 Ų3369.3 Ų69.320%0.20238%0.378CS..Hα-helixtrans-105.1-7.7-175.660.40000114.7F33 L72 D73 V75 N79 L80F33-T77 HydrophobicContact CD1-CG2 4.46Å; L72-T77 HydrophobicContact CB-CG2 4.15Å; L72-T77 HydrophobicContact CD1-CG2 4.34Å; D73-T77 PolarHBondContact O-N 3.04Å; D73-T77 PolarHBondContact O-OG1 3.28Å; D73-T77 VanDerWaalsContact O-OG1 3.05Å; V75-T77 VanDerWaalsContact C-N 3.33Å; T77-N79 VanDerWaalsContact C-N 3.25Å; T77-N79 PolarHBondContact O-N 3.05Å; T77-L80 PolarHBondContact O-N 3.17Å
78R86.3Confident91.5Very high207 Ų20771.3 Ų71.378%0.78139%0.389SS*.THydrogen-bonded Turntrans-45.3-40.3-171.1-171174.5177.3-179.90.7116.3P74P74-R78 WeakPolarHBondContact O-CA 3.42Å; P74-R78 WeakPolarHBondContact O-CB 3.4Å; P74-R78 PolarHBondContact O-N 2.83Å; P74-R78 VanDerWaalsContact O-N 3.1Å
79N88.8Confident91.5Very high149 Ų14971 Ų7180%0.79739%0.387SS*.THydrogen-bonded Turntrans-122.817.6-175.8-61.3-39.9000112T77T77-N79 VanDerWaalsContact C-N 3.25Å; T77-N79 PolarHBondContact O-N 3.05Å
80L90.1Very high91.5Very high48 Ų4875.6 Ų75.625%0.25142%0.417SS..  trans-93.4116.2179.5-171.270000108F33 T77 D84 L85F33-L80 HydrophobicContact CD1-CD2 4.38Å; F33-L80 HydrophobicContact CE1-CD2 3.49Å; F33-L80 VanDerWaalsContact CE1-CD2 3.49Å; F33-L80 HydrophobicContact CE2-CD2 4.16Å; F33-L80 HydrophobicContact CZ-CD2 3.35Å; T77-L80 PolarHBondContact O-N 3.17Å; L80-D84 HydrophobicContact CD1-CB 3.58Å; L80-D84 HydrophobicContact CG-CB 4.11Å; L80-L85 HydrophobicContact CD2-CB 3.75Å; L80-L85 HydrophobicContact CD2-CD1 3.94Å; L80-L85 HydrophobicContact CD2-CG 4.4Å; L80-L85 HydrophobicContact CG-CB 4.27Å
81P92.1Very high91.6Very high64 Ų6480.6 Ų80.642%0.41644%0.441SS..  trans-64.6148.7174.528.6-33.9000109.9T83 D84 L85P81-T83 PolarHBondContact O-N 3.4Å; P81-T83 VanDerWaalsContact O-N 3.09Å; P81-D84 HydrophobicContact CG-CB 3.9Å; P81-D84 WeakPolarHBondContact CG-OD2 3.29Å; P81-D84 PolarHBondContact O-N 3.27Å; P81-L85 PolarHBondContact O-N 3.16Å; P81-L85 VanDerWaalsContact O-N 3.13Å
82D91Very high91.8Very high86 Ų8683.6 Ų83.646%0.4645%0.453SS..Hα-helixtrans-55.6-31.6-179.8-75.5-28.5000112D84 L85 M86 W98D82-D84 VanDerWaalsContact C-N 3.27Å; D82-D84 PolarHBondContact O-N 3.04Å; D82-L85 PolarHBondContact O-N 3.25Å; D82-M86 WeakPolarHBondContact O-CA 3.45Å; D82-M86 WeakPolarHBondContact O-CB 3.32Å; D82-M86 PolarHBondContact O-N 2.9Å; D82-W98 PolarHBondContact OD1-NE1 2.97Å; D82-W98 VanDerWaalsContact OD1-NE1 3.09Å; D82-W98 PolarHBondContact OD2-NE1 2.9Å
83T89.5Confident91.9Very high103 Ų10383 Ų8363%0.63245%0.45SS*.Hα-helixtrans-65.3-24.6175.856.10000114.5P81 M86P81-T83 PolarHBondContact O-N 3.4Å; P81-T83 VanDerWaalsContact O-N 3.09Å; T83-M86 CarbonylContact C-O 3.52Å
84D90.3Very high92.1Very high89 Ų8986.5 Ų86.548%0.47648%0.479SS..Hα-helixtrans-92.3-29.6175.8-73.6-20.7000111.8L80 P81 D82L80-D84 HydrophobicContact CD1-CB 3.58Å; L80-D84 HydrophobicContact CG-CB 4.11Å; P81-D84 HydrophobicContact CG-CB 3.9Å; P81-D84 WeakPolarHBondContact CG-OD2 3.29Å; P81-D84 PolarHBondContact O-N 3.27Å; D82-D84 VanDerWaalsContact C-N 3.27Å; D82-D84 PolarHBondContact O-N 3.04Å
85L93.4Very high92.3Very high6 Ų687.7 Ų87.73%0.03148%0.48CS..Hα-helixtrans-71.9-45.3173.3179.361.8000111.7I29 F33 L72 L80 P81 D82 W98I29-L85 HydrophobicContact CG2-CD1 4.38Å; F33-L85 HydrophobicContact CB-CD1 4.21Å; F33-L85 HydrophobicContact CD1-CD1 4.09Å; F33-L85 HydrophobicContact CD2-CD1 3.89Å; F33-L85 HydrophobicContact CE1-CD1 4.46Å; F33-L85 HydrophobicContact CE2-CD1 4.26Å; F33-L85 HydrophobicContact CG-CD1 3.8Å; L72-L85 HydrophobicContact CD1-CD2 3.77Å; L80-L85 HydrophobicContact CD2-CB 3.75Å; L80-L85 HydrophobicContact CD2-CD1 3.94Å; L80-L85 HydrophobicContact CD2-CG 4.4Å; L80-L85 HydrophobicContact CG-CB 4.27Å; P81-L85 PolarHBondContact O-N 3.16Å; P81-L85 VanDerWaalsContact O-N 3.13Å; D82-L85 PolarHBondContact O-N 3.25Å; L85-W98 HydrophobicContact CD2-CZ2 4.2Å
86M93.8Very high92.5Very high21 Ų2184.8 Ų84.810%0.10346%0.463CS..  trans-120.4120.2-174.4-57.5-174.8-170.600110.4L27 I29 D82 T83 L88 V96 W98L27-M86 CarbonylContact O-C 3.59Å; L27-M86 WeakPolarHBondContact O-CA 3.36Å; I29-M86 HydrophobicContact CD1-CE 4.17Å; I29-M86 HydrophobicContact CD1-CG 4.06Å; I29-M86 HydrophobicContact CG1-CG 3.93Å; D82-M86 WeakPolarHBondContact O-CA 3.45Å; D82-M86 WeakPolarHBondContact O-CB 3.32Å; D82-M86 PolarHBondContact O-N 2.9Å; T83-M86 CarbonylContact C-O 3.52Å; M86-L88 HydrophobicContact CB-CD2 4.17Å; M86-V96 HydrophobicContact SD-CG1 4.16Å; M86-V96 HydrophobicContact SD-CG2 3.84Å; M86-W98 HydrophobicContact CE-CH2 3.79Å; M86-W98 HydrophobicContact CE-CZ2 3.31Å
87K94.2Very high92.7Very high140 Ų14089 Ų8961%0.60947%0.466SS*.  trans-118.282.8173.2-65.7-173179.8-169.10107.5L27 G28L27-K87 CarbonylContact C-O 3.6Å; L27-K87 CarbonylContact O-C 3.37Å; L27-K87 PolarHBondContact O-N 2.94Å; G28-K87 WeakPolarHBondContact CA-O 3.5Å; G28-K87 PolarHBondContact N-O 3.22Å
88L96Very high92.8Very high56 Ų5694.6 Ų94.629%0.29348%0.484SS..  trans-57.7137-171.7-53.3-175.7000111.2L27 M86 P90 V93 V96L27-L88 HydrophobicContact CB-CD2 4.4Å; L27-L88 HydrophobicContact CD2-CD2 3.66Å; M86-L88 HydrophobicContact CB-CD2 4.17Å; L88-P90 WeakPolarHBondContact O-CD 3.15Å; L88-V93 HydrophobicContact CD1-CG1 4.28Å; L88-V93 HydrophobicContact CD2-CG1 4.36Å; L88-V96 HydrophobicContact CD1-CB 4.14Å; L88-V96 HydrophobicContact CD1-CG1 3.9Å; L88-V96 HydrophobicContact CD2-CB 4.32Å; L88-V96 HydrophobicContact CD2-CG1 4.25Å
89N96.8Very high93Very high37 Ų3787.4 Ų87.420%0.19846%0.46CS..  trans-84111.6167.2-179.63.2000108.8H25 E26 D91 E92 V93H25-N89 VanDerWaalsContact O-CB 3.25Å; H25-N89 WeakPolarHBondContact O-CB 3.43Å; E26-N89 PolarHBondContact O-N 3.15Å; N89-D91 PolarHBondContact O-N 2.88Å; N89-D91 VanDerWaalsContact O-N 3.15Å; N89-D91 PolarHBondContact OD1-N 2.9Å; N89-D91 VanDerWaalsContact OD1-N 3.16Å; N89-E92 HydrophobicContact CB-CB 4.36Å; N89-E92 HydrophobicContact CB-CG 4.39Å; N89-E92 WeakPolarHBondContact ND2-CG 3.22Å; N89-E92 PolarHBondContact O-N 3.16Å; N89-V93 PolarHBondContact O-N 2.98Å
90P96.6Very high93.2Very high109 Ų10982.5 Ų82.571%0.70844%0.44SS*.THydrogen-bonded Turntrans-65.7-16.9-176.428.6-36.4000113.7L88 E92L88-P90 WeakPolarHBondContact O-CD 3.15Å; P90-E92 VanDerWaalsContact C-N 3.26Å
91D97.3Very high93.2Very high148 Ų14882.3 Ų82.379%0.79144%0.437SS*.THydrogen-bonded Turntrans-75-17.8174.2-65.9-26.1000112.4N89N89-D91 PolarHBondContact O-N 2.88Å; N89-D91 VanDerWaalsContact O-N 3.15Å; N89-D91 PolarHBondContact OD1-N 2.9Å; N89-D91 VanDerWaalsContact OD1-N 3.16Å
92E96.6Very high93Very high94 Ų9482.2 Ų82.244%0.43944%0.438SS..THydrogen-bonded Turntrans-117.4-39.1-174.9-62.4-78.8-160.700112.5H25 E26 N89 P90H25-E92 IonicContact CE1-OE1 2.68Å; H25-E92 PolarHBondContact CE1-OE1 3.41Å; H25-E92 IonicContact ND1-OE1 3.9Å; E26-E92 HydrophobicContact CB-CB 4.38Å; E26-E92 HydrophobicContact CG-CB 4.04Å; E26-E92 HydrophobicContact CG-CG 4.26Å; N89-E92 HydrophobicContact CB-CB 4.36Å; N89-E92 HydrophobicContact CB-CG 4.39Å; N89-E92 WeakPolarHBondContact ND2-CG 3.22Å; N89-E92 PolarHBondContact O-N 3.16Å; P90-E92 VanDerWaalsContact C-N 3.26Å
93V95.6Very high92.8Very high26 Ų2680.9 Ų80.916%0.15843%0.431CS..  trans-130.3122.8-172.2-176.50000110.6E26 L27 L88 N89 D95E26-V93 HydrophobicContact CB-CG2 3.96Å; L27-V93 HydrophobicContact CD2-CG1 4.22Å; L27-V93 HydrophobicContact CD2-CG2 4.02Å; L88-V93 HydrophobicContact CD1-CG1 4.28Å; L88-V93 HydrophobicContact CD2-CG1 4.36Å; N89-V93 PolarHBondContact O-N 2.98Å; V93-D95 WeakPolarHBondContact CG1-O 3.1Å
94S93.8Very high92.6Very high127 Ų12776.9 Ų76.989%0.88841%0.405SS*.SBendtrans-83.6-38.4-17956.10000113.9
95D92.6Very high91.9Very high116 Ų11676.2 Ų76.262%0.6240%0.401SS*.  trans-157.2159.9-180-165.917.8000110.7V93V93-D95 WeakPolarHBondContact CG1-O 3.1Å
96V92.3Very high90.7Very high62 Ų6284.3 Ų84.338%0.37643%0.432SS..  trans-134.6143177.571.20000110.8M86 L88M86-V96 HydrophobicContact SD-CG1 4.16Å; M86-V96 HydrophobicContact SD-CG2 3.84Å; L88-V96 HydrophobicContact CD1-CB 4.14Å; L88-V96 HydrophobicContact CD1-CG1 3.9Å; L88-V96 HydrophobicContact CD2-CB 4.32Å; L88-V96 HydrophobicContact CD2-CG1 4.25Å
97R91Very high89.5Confident148 Ų14883.5 Ų83.556%0.55843%0.428SS*.  trans-144.4136176.4-174.3-178.3-67.8-172.3-0.6110.9M99R97-M99 HydrophobicContact CB-CG 4.49Å; R97-M99 HydrophobicContact CG-CG 4.18Å
98W91.2Very high88.1Confident151 Ų15180.8 Ų80.857%0.57242%0.417SS*.  trans-75.2127.2164.1-66.9110.7000109.9L72 D82 L85 M86L72-W98 HydrophobicContact CD1-CH2 3.64Å; L72-W98 HydrophobicContact CD1-CZ2 4.1Å; D82-W98 PolarHBondContact OD1-NE1 2.97Å; D82-W98 VanDerWaalsContact OD1-NE1 3.09Å; D82-W98 PolarHBondContact OD2-NE1 2.9Å; L85-W98 HydrophobicContact CD2-CZ2 4.2Å; M86-W98 HydrophobicContact CE-CH2 3.79Å; M86-W98 HydrophobicContact CE-CZ2 3.31Å
99M90.9Very high86Confident56 Ų5680.5 Ų80.528%0.27642%0.419SS..  trans-124.9140-176.6-58.7-167.666.700111.4R97 D103 F104 M107R97-M99 HydrophobicContact CB-CG 4.49Å; R97-M99 HydrophobicContact CG-CG 4.18Å; M99-D103 WeakPolarHBondContact CA-OD2 3.49Å; M99-D103 HydrophobicContact CB-CB 4.5Å; M99-D103 HydrophobicContact CE-CB 3.47Å; M99-D103 VanDerWaalsContact CE-CB 3.47Å; M99-F104 HydrophobicContact CB-CE2 4.06Å; M99-F104 HydrophobicContact CB-CZ 4.29Å; M99-F104 HydrophobicContact SD-CZ 4.16Å; M99-M107 HydrophobicContact CE-CE 3.22Å; M99-M107 HydrophobicContact SD-CE 4.15Å
100A91.6Very high83.9Confident46 Ų4681.3 Ų81.338%0.3843%0.428SS..  trans-82.4156.9167.200000110.4S102 D103 F104A100-S102 WeakPolarHBondContact CB-OG 3.35Å; A100-S102 PolarHBondContact O-N 3.13Å; A100-D103 PolarHBondContact N-OD2 2.97Å; A100-D103 WeakPolarHBondContact O-CB 3.45Å; A100-D103 PolarHBondContact O-N 2.6Å; A100-F104 WeakPolarHBondContact O-CD2 3.46Å
101F90.3Very high81.7Confident43 Ų4380.2 Ų80.219%0.18942%0.42CS..G310 helixtrans-58.3-32.3176-176.6-111.7000112.5D103 F104 L143 Q144 F147F101-D103 PolarHBondContact O-N 2.97Å; F101-F104 PolarHBondContact O-N 2.97Å; F101-L143 HydrophobicContact CD2-CG 4.49Å; F101-L143 HydrophobicContact CE2-CB 4.47Å; F101-L143 HydrophobicContact CE2-CG 4.34Å; F101-Q144 HydrophobicContact CE1-CB 4.13Å; F101-Q144 HydrophobicContact CE1-CG 3.87Å; F101-Q144 HydrophobicContact CE2-CB 3.83Å; F101-Q144 HydrophobicContact CE2-CG 4.41Å; F101-Q144 HydrophobicContact CZ-CB 3.45Å; F101-Q144 VanDerWaalsContact CZ-CB 3.45Å; F101-Q144 HydrophobicContact CZ-CG 3.74Å; F101-F147 HydrophobicContact CB-CB 4.38Å; F101-F147 HydrophobicContact CB-CD1 3.72Å; F101-F147 HydrophobicContact CB-CD2 4.22Å; F101-F147 HydrophobicContact CB-CE1 3.97Å; F101-F147 HydrophobicContact CB-CE2 4.45Å; F101-F147 HydrophobicContact CB-CG 3.85Å; F101-F147 HydrophobicContact CB-CZ 4.33Å; F101-F147 HydrophobicContact CD2-CB 4.45Å; F101-F147 AromaticContact CD2-CD2 3.71Å; F101-F147 HydrophobicContact CD2-CD2 3.71Å; F101-F147 HydrophobicContact CD2-CE2 4.07Å; F101-F147 HydrophobicContact CD2-CG 4.05Å; F101-F147 HydrophobicContact CG-CD2 4.35Å; F101-F147 HydrophobicContact CG-CG 4.25Å
102S89.2Confident79.4Confident62 Ų6283.7 Ų83.743%0.43442%0.422SS..G310 helixtrans-59.2-30.7176.149.90000113.4A100 F104 N105A100-S102 WeakPolarHBondContact CB-OG 3.35Å; A100-S102 PolarHBondContact O-N 3.13Å; S102-F104 PolarHBondContact O-N 3.39Å; S102-N105 WeakPolarHBondContact O-CB 3.48Å; S102-N105 PolarHBondContact O-N 3.12Å
103D86Confident77.2Confident59 Ų5984.6 Ų84.632%0.31643%0.43SS..G310 helixtrans-68.1-25.9-176.8-55.5-23.8000111.1M99 A100 F101 N105M99-D103 WeakPolarHBondContact CA-OD2 3.49Å; M99-D103 HydrophobicContact CB-CB 4.5Å; M99-D103 HydrophobicContact CE-CB 3.47Å; M99-D103 VanDerWaalsContact CE-CB 3.47Å; A100-D103 PolarHBondContact N-OD2 2.97Å; A100-D103 WeakPolarHBondContact O-CB 3.45Å; A100-D103 PolarHBondContact O-N 2.6Å; F101-D103 PolarHBondContact O-N 2.97Å; D103-N105 VanDerWaalsContact C-N 3.3Å; D103-N105 PolarHBondContact O-N 3.36Å
104F84.7Confident75Confident19 Ų1988.4 Ų88.48%0.08345%0.446CS..G310 helixtrans-77.6-12.3175.6-62.9-84.7000113.6M99 A100 F101 S102 Y106 M107 K108 L134 L138 L143 F147M99-F104 HydrophobicContact CB-CE2 4.06Å; M99-F104 HydrophobicContact CB-CZ 4.29Å; M99-F104 HydrophobicContact SD-CZ 4.16Å; A100-F104 WeakPolarHBondContact O-CD2 3.46Å; F101-F104 PolarHBondContact O-N 2.97Å; S102-F104 PolarHBondContact O-N 3.39Å; F104-Y106 VanDerWaalsContact C-N 3.28Å; F104-Y106 PolarHBondContact O-N 2.93Å; F104-M107 HydrophobicContact CD1-CE 3.83Å; F104-M107 HydrophobicContact CD1-SD 3.65Å; F104-M107 HydrophobicContact CE1-CE 4.11Å; F104-M107 HydrophobicContact CE1-SD 4.17Å; F104-M107 HydrophobicContact CG-CE 4.45Å; F104-M107 WeakPolarHBondContact O-CB 3.33Å; F104-M107 PolarHBondContact O-N 3.22Å; F104-M107 VanDerWaalsContact O-N 3.12Å; F104-K108 PolarHBondContact O-N 3.46Å; F104-L134 HydrophobicContact CE1-CD2 4.43Å; F104-L138 HydrophobicContact CB-CD1 4.46Å; F104-L138 HydrophobicContact CB-CD2 3.89Å; F104-L138 HydrophobicContact CD1-CD1 4.04Å; F104-L143 HydrophobicContact CB-CD2 4.5Å; F104-L143 HydrophobicContact CD1-CD2 3.84Å; F104-L143 HydrophobicContact CD2-CD2 4Å; F104-L143 HydrophobicContact CE1-CD2 3.97Å; F104-L143 HydrophobicContact CE2-CD2 4.13Å; F104-L143 HydrophobicContact CG-CD2 3.84Å; F104-L143 HydrophobicContact CZ-CD2 4.11Å; F104-F147 HydrophobicContact CE2-CE2 4.11Å; F104-F147 AromaticContact CE2-CZ 3.95Å; F104-F147 HydrophobicContact CE2-CZ 3.95Å
105N76.5Confident72.7Confident75 Ų7590.3 Ų90.340%0.40144%0.443SS..Hα-helixtrans-65.7-36.1176.9-72.2-35.2000111.4S102 D103 M107 K108S102-N105 WeakPolarHBondContact O-CB 3.48Å; S102-N105 PolarHBondContact O-N 3.12Å; D103-N105 VanDerWaalsContact C-N 3.3Å; D103-N105 PolarHBondContact O-N 3.36Å; N105-M107 PolarHBondContact O-N 2.92Å; N105-K108 PolarHBondContact O-N 2.61Å; N105-K108 PolarHBondContact OD1-NZ 3.34Å
106Y68.4Low70.3Confident175 Ų17591.9 Ų91.969%0.68645%0.451SS*.Hα-helixtrans-65.2-26.9174.2-56.8-74.2000112.2F104F104-Y106 VanDerWaalsContact C-N 3.28Å; F104-Y106 PolarHBondContact O-N 2.93Å
107M67.9Low68.1Low4 Ų494.8 Ų94.82%0.0247%0.469CS..Hα-helixtrans-82-14.9178.9-56.2-177.1-154.200114M99 F104 N105 C109 F125 R127 I130M99-M107 HydrophobicContact CE-CE 3.22Å; M99-M107 HydrophobicContact SD-CE 4.15Å; F104-M107 HydrophobicContact CD1-CE 3.83Å; F104-M107 HydrophobicContact CD1-SD 3.65Å; F104-M107 HydrophobicContact CE1-CE 4.11Å; F104-M107 HydrophobicContact CE1-SD 4.17Å; F104-M107 HydrophobicContact CG-CE 4.45Å; F104-M107 WeakPolarHBondContact O-CB 3.33Å; F104-M107 PolarHBondContact O-N 3.22Å; F104-M107 VanDerWaalsContact O-N 3.12Å; N105-M107 PolarHBondContact O-N 2.92Å; M107-C109 VanDerWaalsContact C-N 3.33Å; M107-F125 HydrophobicContact CE-CB 4.26Å; M107-F125 HydrophobicContact CE-CD1 4.24Å; M107-F125 HydrophobicContact CE-CG 4.37Å; M107-F125 HydrophobicContact CG-CB 4.26Å; M107-R127 WeakPolarHBondContact O-CB 3.43Å; M107-I130 HydrophobicContact SD-CG2 3.7Å
108K63.8Low65.6Low83 Ų8391.9 Ų91.936%0.36148%0.477SS..Hα-helixtrans-72.7-29.7177.6-72.7175.8-177.7165.20111.9F104 N105 L138F104-K108 PolarHBondContact O-N 3.46Å; N105-K108 PolarHBondContact O-N 2.61Å; N105-K108 PolarHBondContact OD1-NZ 3.34Å; K108-L138 HydrophobicContact CG-CD2 4.36Å
109C53.8Low63Low51 Ų5194.6 Ų94.635%0.34549%0.493SS..SBendtrans-72.3135-176.9-67.60000111.3M107M107-C109 VanDerWaalsContact C-N 3.33Å
110S51.5Low60.7Low54 Ų5497.2 Ų97.238%0.37851%0.513SS..  trans-71.3146.6173.3-170.60000108.6R112 D113S110-R112 PolarHBondContact O-N 3.26Å; S110-D113 PolarHBondContact O-N 2.99Å; S110-D113 VanDerWaalsContact O-N 3.07Å
111P49.9Very low58.4Low86 Ų86101 Ų10156%0.55854%0.536SS*.THydrogen-bonded Turntrans-56.1-7.4177.114.5-27.2000115.1
112R49.6Very low56.5Low220 Ų220105.5 Ų105.583%0.8356%0.562SS**THydrogen-bonded Turntrans-79.7-15.2176.7-62.8-173.2-174.8-178.12.4114.5S110S110-R112 PolarHBondContact O-N 3.26Å
113D50Low54.5Low114 Ų114106.6 Ų106.661%0.6157%0.57SS**SBendtrans-89.8-9.1-175.2-60-34.7000113.3S110S110-D113 PolarHBondContact O-N 2.99Å; S110-D113 VanDerWaalsContact O-N 3.07Å
114H49.8Very low52.9Low105 Ų105110.6 Ų110.649%0.48659%0.591SS.*  trans-104.338.9-173.7-67.1-67.8000115N116H114-N116 VanDerWaalsContact C-N 3.3Å
115M46.5Very low51.8Low168 Ų168113.8 Ų113.883%0.82861%0.605SS**SBendtrans-81.3-7.4167.2-83.9-90.3109.100113.3
116N42Very low51.2Low148 Ų148112 Ų11279%0.79160%0.598SS**SBendtrans-141.171.4-176-74.6-35.5000112.5H114H114-N116 VanDerWaalsContact C-N 3.3Å
117T46.1Very low51.2Low123 Ų123106.1 Ų106.176%0.75558%0.575SS**  trans-160.9127.8154.111.80000109.9
118A38.5Very low51.5Low88 Ų88109.9 Ų109.973%0.72760%0.601SS**  trans-76138.6-173.300000112.1
119K36.8Very low52.3Low207 Ų207109.3 Ų109.390%0.961%0.607SS**  trans45.685.7144.4-63.6-178.6177.9179.70116.3
120T42.5Very low53.9Low112 Ų112107.7 Ų107.769%0.68760%0.595SS**  trans-127.3122.5146.948.20000107.9D122T120-D122 PolarHBondContact O-N 3.49Å; T120-D122 VanDerWaalsContact O-N 3.15Å
121S42.9Very low55.7Low125 Ų125108 Ų10887%0.87460%0.595SS**  trans-81.323.4-169.251.20000114.6
122D49.1Very low57.7Low138 Ų138104.4 Ų104.474%0.73857%0.572SS**SBendtrans-106.8110173.7-83.4-35.8000108.1T120 D124T120-D122 PolarHBondContact O-N 3.49Å; T120-D122 VanDerWaalsContact O-N 3.15Å; D122-D124 PolarHBondContact O-N 2.8Å; D122-D124 VanDerWaalsContact O-N 3.14Å
123S48.4Very low59.7Low84 Ų8498.3 Ų98.359%0.58755%0.549SS*.  trans-23.1108-179.657.70000114.2F125S123-F125 PolarHBondContact O-N 2.88Å
124D52.5Low61.8Low143 Ų14394.3 Ų94.377%0.76553%0.527SS*.  trans-56.4100.7175.5-71.9-39.4000110D122 C126D122-D124 PolarHBondContact O-N 2.8Å; D122-D124 VanDerWaalsContact O-N 3.14Å; D124-C126 PolarHBondContact O-N 2.88Å
125F60.7Low63.7Low86 Ų8689.7 Ų89.738%0.37751%0.506SS..  trans-68.3100.1169.2-107.2-95.4000107.7M107 S123M107-F125 HydrophobicContact CE-CB 4.26Å; M107-F125 HydrophobicContact CE-CD1 4.24Å; M107-F125 HydrophobicContact CE-CG 4.37Å; M107-F125 HydrophobicContact CG-CB 4.26Å; S123-F125 PolarHBondContact O-N 2.88Å
126C65Low66Low37 Ų3781.7 Ų81.725%0.2547%0.466CS..  trans-74.1152.9175.1-178.50000109.6D124 S128 S129D124-C126 PolarHBondContact O-N 2.88Å; C126-S128 PolarHBondContact O-N 3.28Å; C126-S128 PolarHBondContact SG-OG 3.17Å; C126-S129 VanDerWaalsContact O-CB 3.23Å; C126-S129 WeakPolarHBondContact O-CB 3.42Å; C126-S129 PolarHBondContact O-N 3.01Å; C126-S129 PolarHBondContact O-OG 3.12Å
127R68.7Low68.4Low53 Ų5375.3 Ų75.320%0.243%0.432CS..G310 helixtrans-49.2-29.3169.8-170.5-178.4173.9991.7113.1M107 S129 I130 R135 K183M107-R127 WeakPolarHBondContact O-CB 3.43Å; R127-S129 PolarHBondContact O-N 3.18Å; R127-I130 WeakPolarHBondContact O-CG1 2.88Å; R127-R135 HydrophobicContact CG-CG 4.31Å; R127-R135 PolarHBondContact O-NE 3.2Å; R127-K183 VanDerWaalsContact CZ-OXT 3.31Å; R127-K183 PolarHBondContact NE-OXT 3.43Å; R127-K183 PolarHBondContact NH2-OXT 2.78Å
128S72.3Confident70.6Confident82 Ų8270.1 Ų70.157%0.57340%0.399SS*.G310 helixtrans-72.3-10.5175.658.40000114.7C126C126-S128 PolarHBondContact O-N 3.28Å; C126-S128 PolarHBondContact SG-OG 3.17Å
129S80.9Confident73.1Confident71 Ų7168.4 Ų68.450%0.49739%0.385SS..G310 helixtrans-86.3-10.4178.2-57.60000113.2C126 R127C126-S129 VanDerWaalsContact O-CB 3.23Å; C126-S129 WeakPolarHBondContact O-CB 3.42Å; C126-S129 PolarHBondContact O-N 3.01Å; C126-S129 PolarHBondContact O-OG 3.12Å; R127-S129 PolarHBondContact O-N 3.18Å
130I87.3Confident75.7Confident17 Ų1764.1 Ų64.19%0.08736%0.363CS..SBendtrans-105.8148.9175.955.9166.2000111.1M107 R127 L134 R135 L138M107-I130 HydrophobicContact SD-CG2 3.7Å; R127-I130 WeakPolarHBondContact O-CG1 2.88Å; I130-L134 HydrophobicContact CB-CD2 4.01Å; I130-L134 HydrophobicContact CB-CG 4.43Å; I130-L134 HydrophobicContact CD1-CG 4.38Å; I130-L134 HydrophobicContact CG2-CD2 3.91Å; I130-R135 HydrophobicContact CD1-CB 4.4Å; I130-R135 HydrophobicContact CD1-CG 3.56Å; I130-R135 HydrophobicContact CG1-CG 3.66Å; I130-R135 PolarHBondContact O-NE 3.38Å; I130-R135 VanDerWaalsContact O-NE 3.12Å; I130-R135 PolarHBondContact O-NH2 3.18Å; I130-L138 HydrophobicContact CD1-CD1 3.7Å
131T90Very high78.1Confident60 Ų6060 Ų6037%0.36834%0.344SS..  trans-64.4152.5-18054.30000111.9W133 L134 R135T131-W133 VanDerWaalsContact C-N 3.28Å; T131-W133 PolarHBondContact O-N 3.34Å; T131-W133 VanDerWaalsContact OG1-CD1 3.24Å; T131-W133 VanDerWaalsContact OG1-CE2 3.28Å; T131-W133 PolarHBondContact OG1-NE1 2.72Å; T131-L134 PolarHBondContact O-N 2.84Å; T131-R135 PolarHBondContact O-N 3.3Å; T131-R135 VanDerWaalsContact O-N 3.1Å
132P91.1Very high80.6Confident12 Ų1254.9 Ų54.98%0.07831%0.306CS..Hα-helixtrans-53.8-40.7179.7-28.836.6000113.8A49 L134 R135 G136 V182A49-P132 HydrophobicContact CB-CB 3.44Å; A49-P132 VanDerWaalsContact CB-CB 3.44Å; A49-P132 HydrophobicContact CB-CG 3.89Å; P132-L134 PolarHBondContact O-N 3.12Å; P132-R135 WeakPolarHBondContact O-CB 3.11Å; P132-R135 PolarHBondContact O-N 3.23Å; P132-G136 PolarHBondContact O-N 2.92Å; P132-V182 WeakPolarHBondContact CA-O 3.15Å; P132-V182 HydrophobicContact CB-CB 3.89Å; P132-V182 WeakPolarHBondContact CB-O 3.49Å; P132-V182 WeakPolarHBondContact O-CA 3.46Å; P132-V182 WeakPolarHBondContact O-CB 3.12Å
133W93.1Very high82.7Confident92 Ų9248.9 Ų48.935%0.34827%0.274SS..Hα-helixtrans-63.2-39.5177.971.5-105000112.3Y47 T131 G136 L137Y47-W133 HydrophobicContact CD2-CB 4.18Å; Y47-W133 HydrophobicContact CE1-CB 4.15Å; Y47-W133 HydrophobicContact CE2-CB 3.75Å; T131-W133 VanDerWaalsContact C-N 3.28Å; T131-W133 PolarHBondContact O-N 3.34Å; T131-W133 VanDerWaalsContact OG1-CD1 3.24Å; T131-W133 VanDerWaalsContact OG1-CE2 3.28Å; T131-W133 PolarHBondContact OG1-NE1 2.72Å; W133-G136 PolarHBondContact O-N 2.91Å; W133-G136 VanDerWaalsContact O-N 3.16Å; W133-L137 HydrophobicContact CE3-CD1 3.75Å; W133-L137 HydrophobicContact CE3-CG 4.12Å; W133-L137 HydrophobicContact CZ3-CD1 3.51Å; W133-L137 HydrophobicContact CZ3-CG 4.35Å; W133-L137 WeakPolarHBondContact O-CG 3.5Å; W133-L137 PolarHBondContact O-N 2.82Å
134L92.9Very high84.9Confident30 Ų3049.7 Ų49.716%0.15727%0.269CS..Hα-helixtrans-69.8-36.5179.1-176.957.8000111.4F104 I130 T131 P132 G136 L137 L138 L143F104-L134 HydrophobicContact CE1-CD2 4.43Å; I130-L134 HydrophobicContact CB-CD2 4.01Å; I130-L134 HydrophobicContact CB-CG 4.43Å; I130-L134 HydrophobicContact CD1-CG 4.38Å; I130-L134 HydrophobicContact CG2-CD2 3.91Å; T131-L134 PolarHBondContact O-N 2.84Å; P132-L134 PolarHBondContact O-N 3.12Å; L134-G136 VanDerWaalsContact C-N 3.28Å; L134-G136 PolarHBondContact O-N 3.21Å; L134-L137 PolarHBondContact O-N 3.47Å; L134-L138 PolarHBondContact O-N 3.01Å; L134-L143 HydrophobicContact CD1-CD1 4.44Å; L134-L143 HydrophobicContact CD1-CD2 4.29Å
135R91.3Very high86.9Confident8 Ų845.6 Ų45.63%0.0324%0.244CC..Hα-helixtrans-58-43.5169.4-63.8178.9-153.7149.716.5110.9E52 R127 I130 T131 P132 L138 A139 D181 K183E52-R135 IonicContact OE1-CZ 2.7Å; E52-R135 IonicContact OE1-NH1 3.84Å; E52-R135 PolarHBondContact OE1-NH1 3.39Å; E52-R135 IonicContact OE1-NH2 3.78Å; E52-R135 IonicContact OE2-CZ 3.89Å; E52-R135 IonicContact OE2-NH1 3Å; E52-R135 PolarHBondContact OE2-NH1 3.27Å; E52-R135 VanDerWaalsContact OE2-NH1 3.09Å; E52-R135 IonicContact OE2-NH2 2.7Å; E52-R135 PolarHBondContact OE2-NH2 3.06Å; R127-R135 HydrophobicContact CG-CG 4.31Å; R127-R135 PolarHBondContact O-NE 3.2Å; I130-R135 HydrophobicContact CD1-CB 4.4Å; I130-R135 HydrophobicContact CD1-CG 3.56Å; I130-R135 HydrophobicContact CG1-CG 3.66Å; I130-R135 PolarHBondContact O-NE 3.38Å; I130-R135 VanDerWaalsContact O-NE 3.12Å; I130-R135 PolarHBondContact O-NH2 3.18Å; T131-R135 PolarHBondContact O-N 3.3Å; T131-R135 VanDerWaalsContact O-N 3.1Å; P132-R135 WeakPolarHBondContact O-CB 3.11Å; P132-R135 PolarHBondContact O-N 3.23Å; R135-L138 WeakPolarHBondContact O-CB 3.31Å; R135-L138 PolarHBondContact O-N 3.06Å; R135-A139 WeakPolarHBondContact O-CB 3.25Å; R135-A139 PolarHBondContact O-N 3.5Å; R135-D181 CarbonylContact C-O 3.56Å; R135-K183 VanDerWaalsContact CD-O 3.29Å; R135-K183 WeakPolarHBondContact CD-O 3.48Å; R135-K183 PolarHBondContact NH1-O 2.79Å
136G93Very high88.5Confident0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-63.8-40.9178.400000113.2P132 W133 L134 L138 A139 R140 D181P132-G136 PolarHBondContact O-N 2.92Å; W133-G136 PolarHBondContact O-N 2.91Å; W133-G136 VanDerWaalsContact O-N 3.16Å; L134-G136 VanDerWaalsContact C-N 3.28Å; L134-G136 PolarHBondContact O-N 3.21Å; G136-L138 VanDerWaalsContact C-N 3.33Å; G136-L138 PolarHBondContact O-N 3.29Å; G136-A139 PolarHBondContact O-N 3.03Å; G136-R140 WeakPolarHBondContact O-CB 3.34Å; G136-R140 WeakPolarHBondContact O-CG 3.47Å; G136-R140 PolarHBondContact O-N 2.71Å; G136-D181 VanDerWaalsContact CA-O 3.32Å; G136-D181 WeakPolarHBondContact CA-O 3.35Å; G136-D181 PolarHBondContact N-O 2.62Å
137L93.9Very high89.9Confident13 Ų1343.8 Ų43.87%0.06823%0.234CC..Hα-helixtrans-63-39.6173.5-63-169.5000112.2V45 I67 W133 L134 G141 L142 L143V45-L137 HydrophobicContact CG1-CD2 3.98Å; I67-L137 HydrophobicContact CD1-CD2 4.33Å; W133-L137 HydrophobicContact CE3-CD1 3.75Å; W133-L137 HydrophobicContact CE3-CG 4.12Å; W133-L137 HydrophobicContact CZ3-CD1 3.51Å; W133-L137 HydrophobicContact CZ3-CG 4.35Å; W133-L137 WeakPolarHBondContact O-CG 3.5Å; W133-L137 PolarHBondContact O-N 2.82Å; L134-L137 PolarHBondContact O-N 3.47Å; L137-G141 PolarHBondContact O-N 3.27Å; L137-L142 HydrophobicContact CB-CB 4.28Å; L137-L142 HydrophobicContact CD2-CB 4.05Å; L137-L142 HydrophobicContact CD2-CD1 3.59Å; L137-L142 HydrophobicContact CD2-CG 4.47Å; L137-L142 PolarHBondContact O-N 3.35Å; L137-L143 HydrophobicContact CB-CB 4.46Å; L137-L143 PolarHBondContact O-N 3.08Å
138L92.1Very high91.1Very high14 Ų1443.1 Ų43.17%0.07324%0.237CC..Hα-helixtrans-65.3-48.1175.6-92.4160000112.1F104 K108 I130 L134 R135 G136 R140 G141 L143F104-L138 HydrophobicContact CB-CD1 4.46Å; F104-L138 HydrophobicContact CB-CD2 3.89Å; F104-L138 HydrophobicContact CD1-CD1 4.04Å; K108-L138 HydrophobicContact CG-CD2 4.36Å; I130-L138 HydrophobicContact CD1-CD1 3.7Å; L134-L138 PolarHBondContact O-N 3.01Å; R135-L138 WeakPolarHBondContact O-CB 3.31Å; R135-L138 PolarHBondContact O-N 3.06Å; G136-L138 VanDerWaalsContact C-N 3.33Å; G136-L138 PolarHBondContact O-N 3.29Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.23Å; L138-G141 PolarHBondContact O-N 2.94Å; L138-G141 VanDerWaalsContact O-N 3.14Å; L138-L143 HydrophobicContact CD1-CD2 4.29Å; L138-L143 HydrophobicContact CD2-CB 4.49Å; L138-L143 HydrophobicContact CD2-CD2 3.83Å; L138-L143 HydrophobicContact CG-CB 4.39Å; L138-L143 HydrophobicContact CG-CD2 3.76Å
139A90Very high92.2Very high52 Ų5239.2 Ų39.243%0.4321%0.21SC..Hα-helixtrans-61.7-37.8-178.700000112.2R135 G136 G141 D181R135-A139 WeakPolarHBondContact O-CB 3.25Å; R135-A139 PolarHBondContact O-N 3.5Å; G136-A139 PolarHBondContact O-N 3.03Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.34Å; A139-D181 HydrophobicContact CB-CB 4.29Å
140R91.9Very high92.8Very high117 Ų11736.9 Ų36.944%0.44220%0.195SC..THydrogen-bonded Turntrans-85.11.8178.3-66.6-62.4-173.3111.513.7114.5G136 L138 L142 H176 L177 D181G136-R140 WeakPolarHBondContact O-CB 3.34Å; G136-R140 WeakPolarHBondContact O-CG 3.47Å; G136-R140 PolarHBondContact O-N 2.71Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 3.23Å; R140-L142 HydrophobicContact CB-CD1 4.06Å; R140-L142 HydrophobicContact CB-CG 3.85Å; R140-L142 PolarHBondContact O-N 2.88Å; R140-H176 PolarHBondContact NH2-O 2.85Å; R140-L177 HydrophobicContact CG-CD2 3.85Å; R140-D181 IonicContact CZ-OD1 3.93Å; R140-D181 IonicContact CZ-OD2 3.23Å; R140-D181 VanDerWaalsContact CZ-OD2 3.23Å; R140-D181 IonicContact NE-OD1 2.95Å; R140-D181 PolarHBondContact NE-OD1 2.9Å; R140-D181 IonicContact NE-OD2 2.9Å; R140-D181 PolarHBondContact NE-OD2 2.95Å; R140-D181 IonicContact NH2-OD2 2.72Å; R140-D181 PolarHBondContact NH2-OD2 3.17Å
141G93Very high93Very high27 Ų2742.4 Ų42.428%0.27822%0.22SC..THydrogen-bonded Turntrans67.511.1-176.800000114.1L137 L138 A139 L143 Q144 K145L137-G141 PolarHBondContact O-N 3.27Å; L138-G141 PolarHBondContact O-N 2.94Å; L138-G141 VanDerWaalsContact O-N 3.14Å; A139-G141 VanDerWaalsContact C-N 3.32Å; A139-G141 PolarHBondContact O-N 3.34Å; G141-L143 VanDerWaalsContact C-N 3.33Å; G141-Q144 WeakPolarHBondContact O-CB 3.44Å; G141-Q144 PolarHBondContact O-N 3.28Å; G141-K145 PolarHBondContact O-N 3.19Å; G141-K145 VanDerWaalsContact O-N 3.08Å
142L94.6Very high93.1Very high16 Ų1640.2 Ų40.28%0.08421%0.208CC..Hα-helixtrans-69.1-34.9-179.9-61.6175.5000111.4V45 L137 R140 K145 L146 W169 I175 L177V45-L142 HydrophobicContact CG1-CD1 4.05Å; L137-L142 HydrophobicContact CB-CB 4.28Å; L137-L142 HydrophobicContact CD2-CB 4.05Å; L137-L142 HydrophobicContact CD2-CD1 3.59Å; L137-L142 HydrophobicContact CD2-CG 4.47Å; L137-L142 PolarHBondContact O-N 3.35Å; R140-L142 HydrophobicContact CB-CD1 4.06Å; R140-L142 HydrophobicContact CB-CG 3.85Å; R140-L142 PolarHBondContact O-N 2.88Å; L142-K145 PolarHBondContact O-N 3.2Å; L142-L146 WeakPolarHBondContact O-CB 3.38Å; L142-L146 PolarHBondContact O-N 2.8Å; L142-W169 HydrophobicContact CB-CH2 4.48Å; L142-W169 HydrophobicContact CD2-CH2 4.33Å; L142-W169 HydrophobicContact CD2-CZ3 4.26Å; L142-I175 HydrophobicContact CD1-CD1 4.07Å; L142-I175 HydrophobicContact CD1-CG2 4.06Å; L142-I175 HydrophobicContact CD2-CD1 3.77Å; L142-L177 HydrophobicContact CD1-CD2 4.4Å
143L94Very high93.1Very high13 Ų1341.8 Ų41.87%0.06822%0.219CC..Hα-helixtrans-63.5-44.8174.8-169.164000110.6F101 F104 L134 L137 L138 G141 K145 L146 F147F101-L143 HydrophobicContact CD2-CG 4.49Å; F101-L143 HydrophobicContact CE2-CB 4.47Å; F101-L143 HydrophobicContact CE2-CG 4.34Å; F104-L143 HydrophobicContact CB-CD2 4.5Å; F104-L143 HydrophobicContact CD1-CD2 3.84Å; F104-L143 HydrophobicContact CD2-CD2 4Å; F104-L143 HydrophobicContact CE1-CD2 3.97Å; F104-L143 HydrophobicContact CE2-CD2 4.13Å; F104-L143 HydrophobicContact CG-CD2 3.84Å; F104-L143 HydrophobicContact CZ-CD2 4.11Å; L134-L143 HydrophobicContact CD1-CD1 4.44Å; L134-L143 HydrophobicContact CD1-CD2 4.29Å; L137-L143 HydrophobicContact CB-CB 4.46Å; L137-L143 PolarHBondContact O-N 3.08Å; L138-L143 HydrophobicContact CD1-CD2 4.29Å; L138-L143 HydrophobicContact CD2-CB 4.49Å; L138-L143 HydrophobicContact CD2-CD2 3.83Å; L138-L143 HydrophobicContact CG-CB 4.39Å; L138-L143 HydrophobicContact CG-CD2 3.76Å; G141-L143 VanDerWaalsContact C-N 3.33Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.31Å; L143-L146 WeakPolarHBondContact O-CB 3.39Å; L143-L146 PolarHBondContact O-N 2.93Å; L143-L146 VanDerWaalsContact O-N 3.12Å; L143-F147 HydrophobicContact CD1-CD2 4.18Å; L143-F147 HydrophobicContact CD1-CE2 3.87Å; L143-F147 HydrophobicContact CD2-CE2 4.41Å; L143-F147 HydrophobicContact CG-CD2 4.06Å; L143-F147 HydrophobicContact CG-CE2 3.91Å; L143-F147 WeakPolarHBondContact O-CD2 3.23Å; L143-F147 PolarHBondContact O-N 2.83Å
144Q94Very high92.8Very high101 Ų10141.1 Ų41.147%0.47223%0.227SC..Hα-helixtrans-57-47.8175.5-173.4175-6.400111.3F101 G141 L146 F147 S148F101-Q144 HydrophobicContact CE1-CB 4.13Å; F101-Q144 HydrophobicContact CE1-CG 3.87Å; F101-Q144 HydrophobicContact CE2-CB 3.83Å; F101-Q144 HydrophobicContact CE2-CG 4.41Å; F101-Q144 HydrophobicContact CZ-CB 3.45Å; F101-Q144 VanDerWaalsContact CZ-CB 3.45Å; F101-Q144 HydrophobicContact CZ-CG 3.74Å; G141-Q144 WeakPolarHBondContact O-CB 3.44Å; G141-Q144 PolarHBondContact O-N 3.28Å; Q144-L146 VanDerWaalsContact C-N 3.26Å; Q144-L146 PolarHBondContact O-N 3.42Å; Q144-F147 PolarHBondContact O-N 3.43Å; Q144-S148 PolarHBondContact O-N 2.89Å; Q144-S148 PolarHBondContact O-OG 3Å
145K94.7Very high92Very high57 Ų5741.3 Ų41.325%0.24824%0.237CC..Hα-helixtrans-61.3-35.1178.4-164.3-176.7177.4-174.30112.5G141 L142 L143 W149 S168 W169G141-K145 PolarHBondContact O-N 3.19Å; G141-K145 VanDerWaalsContact O-N 3.08Å; L142-K145 PolarHBondContact O-N 3.2Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.31Å; K145-W149 WeakPolarHBondContact O-CB 3.48Å; K145-W149 PolarHBondContact O-N 3.45Å; K145-S168 WeakPolarHBondContact CE-OG 3.39Å; K145-S168 VanDerWaalsContact NZ-C 3.32Å; K145-S168 PolarHBondContact NZ-O 3.09Å; K145-W169 HydrophobicContact CB-CH2 4.29Å; K145-W169 HydrophobicContact CB-CZ2 3.7Å; K145-W169 HydrophobicContact CD-CD2 4.02Å; K145-W169 HydrophobicContact CD-CE3 4.4Å; K145-W169 HydrophobicContact CD-CH2 4.02Å; K145-W169 HydrophobicContact CD-CZ2 3.59Å; K145-W169 HydrophobicContact CD-CZ3 4.4Å; K145-W169 HydrophobicContact CG-CH2 4.34Å; K145-W169 HydrophobicContact CG-CZ2 3.53Å
146L95.2Very high90.7Very high37 Ų3748.3 Ų48.319%0.19428%0.275CS..Hα-helixtrans-67.3-43.4175.8-174155000111.1L42 I67 V69 L142 L143 Q144 W149 A150 W169L42-L146 HydrophobicContact CD1-CG 4.41Å; I67-L146 HydrophobicContact CG2-CD1 4Å; V69-L146 HydrophobicContact CG2-CD2 4.12Å; V69-L146 HydrophobicContact CG2-CG 4.34Å; L142-L146 WeakPolarHBondContact O-CB 3.38Å; L142-L146 PolarHBondContact O-N 2.8Å; L143-L146 WeakPolarHBondContact O-CB 3.39Å; L143-L146 PolarHBondContact O-N 2.93Å; L143-L146 VanDerWaalsContact O-N 3.12Å; Q144-L146 VanDerWaalsContact C-N 3.26Å; Q144-L146 PolarHBondContact O-N 3.42Å; L146-W149 PolarHBondContact O-N 3.19Å; L146-A150 PolarHBondContact O-N 2.88Å; L146-W169 HydrophobicContact CB-CZ2 4.35Å
147F94.1Very high89Confident48 Ų4856.9 Ų56.921%0.21131%0.314CS..Hα-helixtrans-62.9-45.3174.3-86.9-96.9000111.7F101 F104 L143 Q144 W149 A150 E151F101-F147 HydrophobicContact CB-CB 4.38Å; F101-F147 HydrophobicContact CB-CD1 3.72Å; F101-F147 HydrophobicContact CB-CD2 4.22Å; F101-F147 HydrophobicContact CB-CE1 3.97Å; F101-F147 HydrophobicContact CB-CE2 4.45Å; F101-F147 HydrophobicContact CB-CG 3.85Å; F101-F147 HydrophobicContact CB-CZ 4.33Å; F101-F147 HydrophobicContact CD2-CB 4.45Å; F101-F147 AromaticContact CD2-CD2 3.71Å; F101-F147 HydrophobicContact CD2-CD2 3.71Å; F101-F147 HydrophobicContact CD2-CE2 4.07Å; F101-F147 HydrophobicContact CD2-CG 4.05Å; F101-F147 HydrophobicContact CG-CD2 4.35Å; F101-F147 HydrophobicContact CG-CG 4.25Å; F104-F147 HydrophobicContact CE2-CE2 4.11Å; F104-F147 AromaticContact CE2-CZ 3.95Å; F104-F147 HydrophobicContact CE2-CZ 3.95Å; L143-F147 HydrophobicContact CD1-CD2 4.18Å; L143-F147 HydrophobicContact CD1-CE2 3.87Å; L143-F147 HydrophobicContact CD2-CE2 4.41Å; L143-F147 HydrophobicContact CG-CD2 4.06Å; L143-F147 HydrophobicContact CG-CE2 3.91Å; L143-F147 WeakPolarHBondContact O-CD2 3.23Å; L143-F147 PolarHBondContact O-N 2.83Å; Q144-F147 PolarHBondContact O-N 3.43Å; F147-W149 VanDerWaalsContact C-N 3.31Å; F147-W149 PolarHBondContact O-N 3.15Å; F147-A150 PolarHBondContact O-N 3.14Å; F147-A150 VanDerWaalsContact O-N 3.13Å; F147-E151 WeakPolarHBondContact O-CG 3.42Å; F147-E151 PolarHBondContact O-N 2.81Å
148S93.5Very high87.6Confident38 Ų3861.1 Ų61.127%0.26634%0.337SS..Hα-helixtrans-59.7-40.9175.7-60.10000112.3Q144 A152Q144-S148 PolarHBondContact O-N 2.89Å; Q144-S148 PolarHBondContact O-OG 3Å; S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.23Å; S148-A152 PolarHBondContact O-N 3.27Å
149W95.1Very high86.9Confident1 Ų167.8 Ų67.80%0.00437%0.367CS..Hα-helixtrans-61.5-45.2173.6-174.897.2000111.7H40 L42 V69 V71 K145 L146 F147 A152 S153 F162 D166 W169H40-W149 HydrophobicContact CB-CH2 3.74Å; H40-W149 HydrophobicContact CB-CZ2 3.79Å; H40-W149 AromaticContact CD2-CH2 3.39Å; H40-W149 WeakPolarHBondContact CD2-CH2 3.15Å; H40-W149 AromaticContact CG-CH2 3.42Å; H40-W149 VanDerWaalsContact CG-CH2 3.42Å; H40-W149 AromaticContact CG-CZ2 3.7Å; H40-W149 AromaticContact ND1-CH2 3.98Å; H40-W149 AromaticContact ND1-CZ2 4Å; H40-W149 AromaticContact NE2-CH2 3.95Å; L42-W149 HydrophobicContact CD1-CG 4.47Å; L42-W149 HydrophobicContact CD2-CD2 4.09Å; L42-W149 HydrophobicContact CD2-CG 4.19Å; L42-W149 HydrophobicContact CD2-CZ2 4.34Å; V69-W149 HydrophobicContact CB-CE3 4.36Å; V69-W149 HydrophobicContact CB-CZ3 4.33Å; V69-W149 HydrophobicContact CG1-CD2 4.07Å; V69-W149 HydrophobicContact CG1-CE3 3.46Å; V69-W149 VanDerWaalsContact CG1-CE3 3.46Å; V69-W149 HydrophobicContact CG1-CH2 3.78Å; V69-W149 HydrophobicContact CG1-CZ2 4.27Å; V69-W149 HydrophobicContact CG1-CZ3 3.32Å; V69-W149 HydrophobicContact CG2-CE3 4.01Å; V69-W149 HydrophobicContact CG2-CZ3 4.02Å; V71-W149 HydrophobicContact CG2-CZ3 4.23Å; K145-W149 WeakPolarHBondContact O-CB 3.48Å; K145-W149 PolarHBondContact O-N 3.45Å; L146-W149 PolarHBondContact O-N 3.19Å; F147-W149 VanDerWaalsContact C-N 3.31Å; F147-W149 PolarHBondContact O-N 3.15Å; W149-A152 PolarHBondContact O-N 3.32Å; W149-S153 WeakPolarHBondContact O-CB 3.18Å; W149-S153 PolarHBondContact O-N 3.35Å; W149-F162 HydrophobicContact CD2-CE2 4.4Å; W149-F162 AromaticContact CE2-CE2 3.73Å; W149-F162 HydrophobicContact CH2-CE2 4.33Å; W149-F162 AromaticContact CZ2-CE2 3.71Å; W149-F162 HydrophobicContact CZ2-CE2 3.71Å; W149-F162 AromaticContact CZ2-CZ 3.88Å; W149-F162 HydrophobicContact CZ2-CZ 3.88Å; W149-F162 AromaticContact NE1-CE2 3.86Å; W149-D166 PolarHBondContact NE1-OD1 2.91Å; W149-W169 AromaticContact CD1-CD1 3.78Å; W149-W169 AromaticContact CD1-NE1 3.86Å
150A93.1Very high86.5Confident22 Ų2273.4 Ų73.418%0.18239%0.385CS..Hα-helixtrans-65.1-44.2-179.300000112V71 L146 F147 S153 C154V71-A150 HydrophobicContact CG2-CB 4Å; L146-A150 PolarHBondContact O-N 2.88Å; F147-A150 PolarHBondContact O-N 3.14Å; F147-A150 VanDerWaalsContact O-N 3.13Å; A150-S153 PolarHBondContact O-N 3.39Å; A150-S153 PolarHBondContact O-OG 3.37Å; A150-C154 PolarHBondContact O-N 3.12Å; A150-C154 PolarHBondContact O-SG 3.33Å; A150-C154 VanDerWaalsContact O-SG 3.33Å
151E91.7Very high86.2Confident133 Ų13369.8 Ų69.862%0.62138%0.378SS*.Hα-helixtrans-61.1-46.9175.2-72.4175.4-179.400111.4F147 S153 C154F147-E151 WeakPolarHBondContact O-CG 3.42Å; F147-E151 PolarHBondContact O-N 2.81Å; E151-S153 VanDerWaalsContact C-N 3.28Å; E151-S153 PolarHBondContact O-N 3.01Å; E151-C154 PolarHBondContact O-N 3.29Å
152A92.2Very high86.1Confident14 Ų1471.1 Ų71.112%0.11638%0.376CS..Hα-helixtrans-62.6-35.3177.900000112.3S148 W149 C154 G155 F162 E165S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.23Å; S148-A152 PolarHBondContact O-N 3.27Å; W149-A152 PolarHBondContact O-N 3.32Å; A152-C154 PolarHBondContact O-N 3.12Å; A152-G155 PolarHBondContact O-N 3.1Å; A152-F162 HydrophobicContact CB-CB 4.33Å; A152-F162 HydrophobicContact CB-CD2 4.25Å; A152-E165 HydrophobicContact CB-CB 4.3Å; A152-E165 HydrophobicContact CB-CG 4.08Å
153S90.9Very high85.9Confident44 Ų4473.9 Ų73.931%0.30839%0.39SS..Hα-helixtrans-66.7-22.5178.479.50000114.1W149 A150 E151W149-S153 WeakPolarHBondContact O-CB 3.18Å; W149-S153 PolarHBondContact O-N 3.35Å; A150-S153 PolarHBondContact O-N 3.39Å; A150-S153 PolarHBondContact O-OG 3.37Å; E151-S153 VanDerWaalsContact C-N 3.28Å; E151-S153 PolarHBondContact O-N 3.01Å
154C86.8Confident85.8Confident78 Ų7876 Ų7653%0.52741%0.409SS..Hα-helixtrans-86.1-15.6178.2-62.60000113.2A150 E151 A152 N156A150-C154 PolarHBondContact O-N 3.12Å; A150-C154 PolarHBondContact O-SG 3.33Å; A150-C154 VanDerWaalsContact O-SG 3.33Å; E151-C154 PolarHBondContact O-N 3.29Å; A152-C154 PolarHBondContact O-N 3.12Å; C154-N156 PolarHBondContact O-N 2.81Å
155G77.4Confident85.7Confident34 Ų3474.2 Ų74.235%0.35140%0.401SS..  trans-77.4104.3-171.900000113A152 H157A152-G155 PolarHBondContact O-N 3.1Å; G155-H157 PolarHBondContact O-N 3.43Å
156N63.5Low85.6Confident155 Ų15573.3 Ų73.383%0.82940%0.399SS*.THydrogen-bonded Turntrans-58.8-14.5177.5-70.9-21.4000115.1C154C154-N156 PolarHBondContact O-N 2.81Å
157H58Low85.5Confident180 Ų18078.6 Ų78.683%0.83342%0.423SS*.THydrogen-bonded Turntrans-122.16.5-169-68.9-61.4000115.1G155G155-H157 PolarHBondContact O-N 3.43Å
158L63.2Low85.5Confident103 Ų10378.9 Ų78.954%0.53943%0.43SS..  trans-132.351.1-174-62164.4000112E160 S161 F162L158-E160 PolarHBondContact O-N 3.06Å; L158-E160 VanDerWaalsContact O-N 3.11Å; L158-S161 WeakPolarHBondContact CB-OG 3.41Å; L158-S161 PolarHBondContact O-N 2.99Å; L158-S161 PolarHBondContact O-OG 3.47Å; L158-F162 PolarHBondContact O-N 3.21Å
159Q77.3Confident85.6Confident153 Ų15377.5 Ų77.572%0.71542%0.42SS*.Hα-helixtrans-53.6-35.2177.1-169.1170.88.700111.6L163Q159-L163 HydrophobicContact CG-CD1 4.22Å; Q159-L163 WeakPolarHBondContact O-CB 3.41Å; Q159-L163 WeakPolarHBondContact O-CD1 3.45Å; Q159-L163 WeakPolarHBondContact O-CG 3.47Å; Q159-L163 PolarHBondContact O-N 3.43Å
160E83.4Confident85.5Confident170 Ų17080.3 Ų80.379%0.79444%0.435SS*.Hα-helixtrans-66.3-41.2174.1-65.6-176.7173.400113.3L158 L163 A164L158-E160 PolarHBondContact O-N 3.06Å; L158-E160 VanDerWaalsContact O-N 3.11Å; E160-L163 PolarHBondContact O-N 3.45Å; E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.16Å
161S84.5Confident85.5Confident42 Ų4282.6 Ų82.629%0.29444%0.439SS..Hα-helixtrans-69.4-39.5178.584.20000111L158 A164 E165L158-S161 WeakPolarHBondContact CB-OG 3.41Å; L158-S161 PolarHBondContact O-N 2.99Å; L158-S161 PolarHBondContact O-OG 3.47Å; S161-A164 PolarHBondContact O-N 3.25Å; S161-E165 WeakPolarHBondContact O-CG 3.28Å; S161-E165 PolarHBondContact O-N 3.03Å
162F91Very high85.5Confident54 Ų5481.6 Ų81.624%0.23744%0.442CS..Hα-helixtrans-62.3-45174.1174.9-111.3000111.3W149 A152 L158 A164 E165 D166W149-F162 HydrophobicContact CD2-CE2 4.4Å; W149-F162 AromaticContact CE2-CE2 3.73Å; W149-F162 HydrophobicContact CH2-CE2 4.33Å; W149-F162 AromaticContact CZ2-CE2 3.71Å; W149-F162 HydrophobicContact CZ2-CE2 3.71Å; W149-F162 AromaticContact CZ2-CZ 3.88Å; W149-F162 HydrophobicContact CZ2-CZ 3.88Å; W149-F162 AromaticContact NE1-CE2 3.86Å; A152-F162 HydrophobicContact CB-CB 4.33Å; A152-F162 HydrophobicContact CB-CD2 4.25Å; L158-F162 PolarHBondContact O-N 3.21Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.02Å; F162-E165 PolarHBondContact O-N 3.32Å; F162-D166 HydrophobicContact CE2-CB 4.41Å; F162-D166 HydrophobicContact CZ-CB 4.28Å; F162-D166 WeakPolarHBondContact O-CB 3.46Å; F162-D166 PolarHBondContact O-N 3.07Å
163L90.9Very high85.6Confident75 Ų7587.1 Ų87.139%0.39346%0.463SS..Hα-helixtrans-61-40.9176.6-74.6169000111.9Q159 E160 D166 Q167Q159-L163 HydrophobicContact CG-CD1 4.22Å; Q159-L163 WeakPolarHBondContact O-CB 3.41Å; Q159-L163 WeakPolarHBondContact O-CD1 3.45Å; Q159-L163 WeakPolarHBondContact O-CG 3.47Å; Q159-L163 PolarHBondContact O-N 3.43Å; E160-L163 PolarHBondContact O-N 3.45Å; L163-D166 PolarHBondContact O-N 2.82Å; L163-Q167 VanDerWaalsContact O-CB 3.22Å; L163-Q167 WeakPolarHBondContact O-CB 3.49Å; L163-Q167 WeakPolarHBondContact O-CG 3.43Å; L163-Q167 PolarHBondContact O-N 3.25Å
164A91.3Very high85.8Confident56 Ų5688.2 Ų88.246%0.46347%0.465SS..Hα-helixtrans-63.4-47176.500000112E160 S161 F162 Q167 S168E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.16Å; S161-A164 PolarHBondContact O-N 3.25Å; F162-A164 VanDerWaalsContact C-N 3.32Å; F162-A164 PolarHBondContact O-N 3.02Å; A164-Q167 PolarHBondContact O-N 2.83Å; A164-S168 WeakPolarHBondContact O-CB 3.32Å; A164-S168 PolarHBondContact O-N 3.49Å
165E92.1Very high86.3Confident65 Ų6586.6 Ų86.630%0.30445%0.45SS..Hα-helixtrans-63.8-41.9176-72.2-59.4149.100111.7A152 S161 F162 S168 W169A152-E165 HydrophobicContact CB-CB 4.3Å; A152-E165 HydrophobicContact CB-CG 4.08Å; S161-E165 WeakPolarHBondContact O-CG 3.28Å; S161-E165 PolarHBondContact O-N 3.03Å; F162-E165 PolarHBondContact O-N 3.32Å; E165-S168 WeakPolarHBondContact O-CB 3.39Å; E165-S168 PolarHBondContact O-N 3.14Å; E165-S168 PolarHBondContact O-OG 3.39Å; E165-W169 VanDerWaalsContact O-CD1 3.29Å
166D93.1Very high87.2Confident37 Ų3790.5 Ų90.520%0.19846%0.459CS..Hα-helixtrans-67.1-39179.4-168.464000112.6W149 F162 L163 S168 W169 R171W149-D166 PolarHBondContact NE1-OD1 2.91Å; F162-D166 HydrophobicContact CE2-CB 4.41Å; F162-D166 HydrophobicContact CZ-CB 4.28Å; F162-D166 WeakPolarHBondContact O-CB 3.46Å; F162-D166 PolarHBondContact O-N 3.07Å; L163-D166 PolarHBondContact O-N 2.82Å; D166-S168 VanDerWaalsContact C-N 3.31Å; D166-W169 PolarHBondContact O-N 2.95Å; D166-R171 PolarHBondContact O-NH1 2.71Å; D166-R171 IonicContact OD1-CZ 3.4Å; D166-R171 IonicContact OD1-NH2 3.12Å; D166-R171 PolarHBondContact OD1-NH2 3.47Å; D166-R171 IonicContact OD2-CZ 2.6Å; D166-R171 IonicContact OD2-NH1 3.56Å; D166-R171 IonicContact OD2-NH2 2.71Å; D166-R171 PolarHBondContact OD2-NH2 2.87Å
167Q92.9Very high88.6Confident149 Ų14983.7 Ų83.770%0.69642%0.423SS*.Hα-helixtrans-73.1-22.8175.1-73174.9300112.9L163 A164 W169L163-Q167 VanDerWaalsContact O-CB 3.22Å; L163-Q167 WeakPolarHBondContact O-CB 3.49Å; L163-Q167 WeakPolarHBondContact O-CG 3.43Å; L163-Q167 PolarHBondContact O-N 3.25Å; A164-Q167 PolarHBondContact O-N 2.83Å; Q167-W169 PolarHBondContact O-N 3.18Å
168S93.6Very high90.2Very high53 Ų5377.1 Ų77.137%0.37140%0.397SS..THydrogen-bonded Turntrans-63.5-21.6175.683.50000112.1K145 A164 E165 D166 D170K145-S168 WeakPolarHBondContact CE-OG 3.39Å; K145-S168 VanDerWaalsContact NZ-C 3.32Å; K145-S168 PolarHBondContact NZ-O 3.09Å; A164-S168 WeakPolarHBondContact O-CB 3.32Å; A164-S168 PolarHBondContact O-N 3.49Å; E165-S168 WeakPolarHBondContact O-CB 3.39Å; E165-S168 PolarHBondContact O-N 3.14Å; E165-S168 PolarHBondContact O-OG 3.39Å; D166-S168 VanDerWaalsContact C-N 3.31Å; S168-D170 PolarHBondContact O-N 2.97Å
169W94.8Very high91.3Very high10 Ų1076.1 Ų76.14%0.03840%0.399CS..SBendtrans-85.8106177.6-73.797.9000112.3L42 I67 L142 K145 L146 W149 E165 D166 Q167 R171L42-W169 HydrophobicContact CB-CD2 3.77Å; L42-W169 HydrophobicContact CB-CE3 3.76Å; L42-W169 HydrophobicContact CB-CG 4.17Å; L42-W169 HydrophobicContact CB-CZ3 4.17Å; L42-W169 HydrophobicContact CD1-CD2 4.27Å; L42-W169 HydrophobicContact CD1-CH2 4.34Å; L42-W169 HydrophobicContact CD1-CZ2 3.85Å; L42-W169 HydrophobicContact CD2-CG 4.28Å; L42-W169 HydrophobicContact CG-CD2 4.43Å; L42-W169 WeakPolarHBondContact O-CB 3.45Å; I67-W169 HydrophobicContact CD1-CH2 4.35Å; I67-W169 HydrophobicContact CD1-CZ3 3.95Å; L142-W169 HydrophobicContact CB-CH2 4.48Å; L142-W169 HydrophobicContact CD2-CH2 4.33Å; L142-W169 HydrophobicContact CD2-CZ3 4.26Å; K145-W169 HydrophobicContact CB-CH2 4.29Å; K145-W169 HydrophobicContact CB-CZ2 3.7Å; K145-W169 HydrophobicContact CD-CD2 4.02Å; K145-W169 HydrophobicContact CD-CE3 4.4Å; K145-W169 HydrophobicContact CD-CH2 4.02Å; K145-W169 HydrophobicContact CD-CZ2 3.59Å; K145-W169 HydrophobicContact CD-CZ3 4.4Å; K145-W169 HydrophobicContact CG-CH2 4.34Å; K145-W169 HydrophobicContact CG-CZ2 3.53Å; L146-W169 HydrophobicContact CB-CZ2 4.35Å; W149-W169 AromaticContact CD1-CD1 3.78Å; W149-W169 AromaticContact CD1-NE1 3.86Å; E165-W169 VanDerWaalsContact O-CD1 3.29Å; D166-W169 PolarHBondContact O-N 2.95Å; Q167-W169 PolarHBondContact O-N 3.18Å; W169-R171 PolarHBondContact O-N 3Å; W169-R171 VanDerWaalsContact O-N 3.12Å; W169-R171 PolarHBondContact O-NH1 3.05Å
170D93.1Very high91.9Very high60 Ų6076.3 Ų76.332%0.32140%0.4SS..  trans-79.192.7172.6-170.1-21.3000110.9S168 T172 K173S168-D170 PolarHBondContact O-N 2.97Å; D170-T172 PolarHBondContact O-N 2.68Å; D170-T172 WeakPolarHBondContact OD1-CB 3.36Å; D170-T172 PolarHBondContact OD1-N 2.94Å; D170-T172 PolarHBondContact OD1-OG1 3.13Å; D170-K173 HydrophobicContact CB-CB 4.29Å; D170-K173 HydrophobicContact CB-CD 4.25Å; D170-K173 HydrophobicContact CB-CG 4.36Å; D170-K173 PolarHBondContact O-N 3.09Å; D170-K173 PolarHBondContact OD1-N 2.96Å; D170-K173 WeakPolarHBondContact OD2-CD 3.44Å; D170-K173 WeakPolarHBondContact OD2-CE 3.39Å; D170-K173 VanDerWaalsContact OD2-CG 3.25Å; D170-K173 WeakPolarHBondContact OD2-CG 3.23Å; D170-K173 IonicContact OD2-NZ 3.09Å; D170-K173 PolarHBondContact OD2-NZ 2.8Å
171R93.6Very high92Very high70 Ų7069.2 Ų69.226%0.26437%0.367SS..THydrogen-bonded Turntrans-66.2-16.6-179.9-70.5165.3179.889.1-7.9113.8F41 L42 R44 D166 W169F41-R171 HydrophobicContact CD1-CB 4.29Å; F41-R171 HydrophobicContact CD1-CG 4.1Å; F41-R171 HydrophobicContact CE1-CB 3.77Å; F41-R171 HydrophobicContact CE1-CG 4.03Å; F41-R171 PolarHBondContact O-NE 3.02Å; L42-R171 WeakPolarHBondContact O-CG 3.29Å; R44-R171 PolarHBondContact NH2-O 3.16Å; D166-R171 PolarHBondContact O-NH1 2.71Å; D166-R171 IonicContact OD1-CZ 3.4Å; D166-R171 IonicContact OD1-NH2 3.12Å; D166-R171 PolarHBondContact OD1-NH2 3.47Å; D166-R171 IonicContact OD2-CZ 2.6Å; D166-R171 IonicContact OD2-NH1 3.56Å; D166-R171 IonicContact OD2-NH2 2.71Å; D166-R171 PolarHBondContact OD2-NH2 2.87Å; W169-R171 PolarHBondContact O-N 3Å; W169-R171 VanDerWaalsContact O-N 3.12Å; W169-R171 PolarHBondContact O-NH1 3.05Å
172T92.5Very high92Very high112 Ų11267.6 Ų67.669%0.68736%0.356SS*.THydrogen-bonded Turntrans-84.7-28.6179.973.80000111.9R44 D170R44-T172 PolarHBondContact NH2-O 2.95Å; D170-T172 PolarHBondContact O-N 2.68Å; D170-T172 WeakPolarHBondContact OD1-CB 3.36Å; D170-T172 PolarHBondContact OD1-N 2.94Å; D170-T172 PolarHBondContact OD1-OG1 3.13Å
173K93.8Very high91.4Very high130 Ų13072.3 Ų72.357%0.56538%0.376SS*.SBendtrans-79.3148.6179.1-75.9-178-175.3124.90112.5D170D170-K173 HydrophobicContact CB-CB 4.29Å; D170-K173 HydrophobicContact CB-CD 4.25Å; D170-K173 HydrophobicContact CB-CG 4.36Å; D170-K173 PolarHBondContact O-N 3.09Å; D170-K173 PolarHBondContact OD1-N 2.96Å; D170-K173 WeakPolarHBondContact OD2-CD 3.44Å; D170-K173 WeakPolarHBondContact OD2-CE 3.39Å; D170-K173 VanDerWaalsContact OD2-CG 3.25Å; D170-K173 WeakPolarHBondContact OD2-CG 3.23Å; D170-K173 IonicContact OD2-NZ 3.09Å; D170-K173 PolarHBondContact OD2-NZ 2.8Å
174I95.7Very high91.4Very high67 Ų6772.2 Ų72.234%0.34438%0.375SS..EExtended strand (participates in β ladder)trans-101.5124.3167.6-60.7173.7000107R44 L46 L64 H176R44-I174 HydrophobicContact CB-CG1 4.42Å; L46-I174 HydrophobicContact CB-CG2 3.64Å; L64-I174 HydrophobicContact CD1-CD1 4.01Å; L64-I174 HydrophobicContact CD1-CG1 4.12Å; L64-I174 HydrophobicContact CD1-CG2 3.64Å; L64-I174 HydrophobicContact CD2-CD1 4.4Å; I174-H176 PolarHBondContact O-CD2 2.88Å
175I96Very high91.4Very high44 Ų4473 Ų7323%0.22637%0.37CS..EExtended strand (participates in β ladder)trans-90.7115.1178.7-56.4165.3000108.1R44 V45 L46 L142 L177R44-I175 PolarHBondContact O-N 3.26Å; V45-I175 CarbonylContact C-O 3.52Å; V45-I175 VanDerWaalsContact CA-O 3.23Å; V45-I175 WeakPolarHBondContact CA-O 3.05Å; V45-I175 HydrophobicContact CG1-CB 4.1Å; L46-I175 PolarHBondContact N-O 2.96Å; L142-I175 HydrophobicContact CD1-CD1 4.07Å; L142-I175 HydrophobicContact CD1-CG2 4.06Å; L142-I175 HydrophobicContact CD2-CD1 3.77Å; I175-L177 PolarHBondContact O-N 3.31Å
176H96.3Very high91.4Very high115 Ų11573.4 Ų73.453%0.53237%0.374SS..EExtended strand (participates in β ladder)trans-84.3115.3179.5-67.7-103.1000110.3R140 I174R140-H176 PolarHBondContact NH2-O 2.85Å; I174-H176 PolarHBondContact O-CD2 2.88Å
177L94.6Very high91.3Very high12 Ų1275.6 Ų75.66%0.06339%0.385CS..  trans-83.6118.2168.7-53-178.7000107.8V45 L46 Y47 R140 L142 I175 D181 V182V45-L177 HydrophobicContact CB-CD1 4.23Å; V45-L177 HydrophobicContact CB-CG 4.31Å; L46-L177 PolarHBondContact O-N 3.16Å; Y47-L177 HydrophobicContact CG-CD1 4.46Å; R140-L177 HydrophobicContact CG-CD2 3.85Å; L142-L177 HydrophobicContact CD1-CD2 4.4Å; I175-L177 PolarHBondContact O-N 3.31Å; L177-D181 HydrophobicContact CB-CB 4.43Å; L177-V182 HydrophobicContact CB-CG1 3.99Å
178S90.6Very high91.2Very high43 Ų4371 Ų7130%0.30137%0.365SS..  trans-73163.4177.871.60000110.7E180 D181 V182S178-E180 PolarHBondContact O-N 3.47Å; S178-E180 VanDerWaalsContact O-N 3.1Å; S178-E180 PolarHBondContact OG-N 2.66Å; S178-D181 VanDerWaalsContact CB-OD2 3.29Å; S178-D181 WeakPolarHBondContact CB-OD2 3.29Å; S178-D181 PolarHBondContact N-OD2 3.04Å; S178-D181 WeakPolarHBondContact O-CB 3.42Å; S178-D181 PolarHBondContact O-N 2.78Å; S178-D181 PolarHBondContact OG-N 2.72Å; S178-D181 VanDerWaalsContact OG-N 3.17Å; S178-D181 PolarHBondContact OG-OD2 3.28Å; S178-V182 PolarHBondContact O-N 3.1Å
179S87.2Confident91Very high82 Ų8272.2 Ų72.257%0.57337%0.365SS*.THydrogen-bonded Turntrans-61-16.8171.4-51.90000113.5K183S179-K183 VanDerWaalsContact O-CD 3.22Å; S179-K183 WeakPolarHBondContact O-CD 3.18Å; S179-K183 WeakPolarHBondContact O-CE 3.33Å; S179-K183 WeakPolarHBondContact O-CG 3.22Å
180E88.2Confident90.8Very high156 Ų15676.6 Ų76.673%0.72939%0.388SS*.THydrogen-bonded Turntrans-82.9-34.9173.6-65.6178.7177.800111.8S178 V182S178-E180 PolarHBondContact O-N 3.47Å; S178-E180 VanDerWaalsContact O-N 3.1Å; S178-E180 PolarHBondContact OG-N 2.66Å; E180-V182 VanDerWaalsContact C-N 3.32Å; E180-V182 PolarHBondContact O-N 3.07Å
181D86.7Confident90.6Very high21 Ų2177.9 Ų77.911%0.11239%0.393CS..THydrogen-bonded Turntrans-65.7-37.1178.7-63.3-61.1000111.7R135 G136 A139 R140 L177 S178R135-D181 CarbonylContact C-O 3.56Å; G136-D181 VanDerWaalsContact CA-O 3.32Å; G136-D181 WeakPolarHBondContact CA-O 3.35Å; G136-D181 PolarHBondContact N-O 2.62Å; A139-D181 HydrophobicContact CB-CB 4.29Å; R140-D181 IonicContact CZ-OD1 3.93Å; R140-D181 IonicContact CZ-OD2 3.23Å; R140-D181 VanDerWaalsContact CZ-OD2 3.23Å; R140-D181 IonicContact NE-OD1 2.95Å; R140-D181 PolarHBondContact NE-OD1 2.9Å; R140-D181 IonicContact NE-OD2 2.9Å; R140-D181 PolarHBondContact NE-OD2 2.95Å; R140-D181 IonicContact NH2-OD2 2.72Å; R140-D181 PolarHBondContact NH2-OD2 3.17Å; L177-D181 HydrophobicContact CB-CB 4.43Å; S178-D181 VanDerWaalsContact CB-OD2 3.29Å; S178-D181 WeakPolarHBondContact CB-OD2 3.29Å; S178-D181 PolarHBondContact N-OD2 3.04Å; S178-D181 WeakPolarHBondContact O-CB 3.42Å; S178-D181 PolarHBondContact O-N 2.78Å; S178-D181 PolarHBondContact OG-N 2.72Å; S178-D181 VanDerWaalsContact OG-N 3.17Å; S178-D181 PolarHBondContact OG-OD2 3.28Å
182V83.3Confident90.4Very high9 Ų978.6 Ų78.66%0.05540%0.404CS..THydrogen-bonded Turntrans-88.5-4.7-174.9-56.70000114.3A49 P132 L177 S178 E180A49-V182 HydrophobicContact CB-CG2 4.3Å; P132-V182 WeakPolarHBondContact CA-O 3.15Å; P132-V182 HydrophobicContact CB-CB 3.89Å; P132-V182 WeakPolarHBondContact CB-O 3.49Å; P132-V182 WeakPolarHBondContact O-CA 3.46Å; P132-V182 WeakPolarHBondContact O-CB 3.12Å; L177-V182 HydrophobicContact CB-CG1 3.99Å; S178-V182 PolarHBondContact O-N 3.1Å; E180-V182 VanDerWaalsContact C-N 3.32Å; E180-V182 PolarHBondContact O-N 3.07Å
183K79.5Confident90.2Very high152 Ų15275.5 Ų75.566%0.66138%0.378SS*.  trans-80.40175.8-81.7170.5-172.6176.90111.5R127 R135 S179R127-K183 VanDerWaalsContact CZ-OXT 3.31Å; R127-K183 PolarHBondContact NE-OXT 3.43Å; R127-K183 PolarHBondContact NH2-OXT 2.78Å; R135-K183 VanDerWaalsContact CD-O 3.29Å; R135-K183 WeakPolarHBondContact CD-O 3.48Å; R135-K183 PolarHBondContact NH1-O 2.79Å; S179-K183 VanDerWaalsContact O-CD 3.22Å; S179-K183 WeakPolarHBondContact O-CD 3.18Å; S179-K183 WeakPolarHBondContact O-CE 3.33Å; S179-K183 WeakPolarHBondContact O-CG 3.22Å

Retrieved 183 of 183 residues in 64.7 ms (Link to these results)

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