A0A096M1I1_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A096M1I1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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
1M37.5Very low79.5Confident234 Ų23487.9 Ų87.9100%1.15348%0.475SS*.  0112.90-77.4179.3-71.800104.4D3M1-D3 PolarHBondContact O-N 3.23Å
2E42.2Very low80.9Confident189 Ų18988.2 Ų88.288%0.88348%0.476SS*.  trans-55.4126.9170.2-79.2168.4153.500107.2C4E2-C4 VanDerWaalsContact C-N 3.29Å; E2-C4 PolarHBondContact O-N 3.46Å
3D50.6Low82Confident164 Ų16482.2 Ų82.288%0.87744%0.443SS*.  trans-66.693.6178.7-145.86.3000106.1M1 S5M1-D3 PolarHBondContact O-N 3.23Å; D3-S5 VanDerWaalsContact C-N 3.33Å; D3-S5 PolarHBondContact O-N 3.44Å
4C69.5Low82.6Confident88 Ų8880.8 Ų80.860%0.59544%0.443SS*.  trans-82.684.4-168.7-139.10000108.9E2 Y40E2-C4 VanDerWaalsContact C-N 3.29Å; E2-C4 PolarHBondContact O-N 3.46Å; C4-Y40 HydrophobicContact CB-CE2 4.31Å; C4-Y40 WeakPolarHBondContact SG-CE2 3.27Å
5S93.1Very high83.2Confident48 Ų4878.5 Ų78.534%0.33644%0.435SS..  trans-60.6135.8174.657.80000110.9D3 V7 S8 N117D3-S5 VanDerWaalsContact C-N 3.33Å; D3-S5 PolarHBondContact O-N 3.44Å; S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.11Å; S5-S8 WeakPolarHBondContact OG-CA 3.38Å; S5-N117 VanDerWaalsContact CA-OD1 3.24Å; S5-N117 WeakPolarHBondContact CA-OD1 3.39Å; S5-N117 VanDerWaalsContact CB-OD1 3.22Å; S5-N117 WeakPolarHBondContact CB-OD1 3.35Å
6L97.8Very high83.4Confident6 Ų675.1 Ų75.13%0.03142%0.416CS..SBendtrans-63.1-33.7171.1-67.3179.9000112.5V39 Y40 F116 N117L6-V39 WeakPolarHBondContact O-CA 3.31Å; L6-Y40 HydrophobicContact CD2-CD1 3.94Å; L6-Y40 HydrophobicContact CD2-CG 4.17Å; L6-Y40 PolarHBondContact O-N 3.12Å; L6-F116 WeakPolarHBondContact CB-O 3.43Å; L6-F116 WeakPolarHBondContact CD1-O 3.47Å; L6-N117 PolarHBondContact N-OD1 3.18Å
7V98.1Very high83.3Confident1 Ų175.6 Ų75.61%0.00642%0.417CS..BIsolated β-bridgetrans-135.4118.6170-177.60000107.3S5 R48 F52 L113 F116 N117S5-V7 VanDerWaalsContact C-N 3.26Å; S5-V7 PolarHBondContact O-N 3.11Å; V7-R48 HydrophobicContact CG2-CG 4.08Å; V7-F52 HydrophobicContact CB-CD2 4.46Å; V7-F52 HydrophobicContact CG1-CD1 4.17Å; V7-F52 HydrophobicContact CG1-CD2 4.05Å; V7-F52 HydrophobicContact CG1-CE1 4.16Å; V7-F52 HydrophobicContact CG1-CE2 4.04Å; V7-F52 HydrophobicContact CG1-CG 4.11Å; V7-F52 HydrophobicContact CG1-CZ 4.1Å; V7-F52 HydrophobicContact CG2-CD2 4.26Å; V7-F52 HydrophobicContact CG2-CG 4.49Å; V7-L113 HydrophobicContact CB-CD1 4.18Å; V7-L113 HydrophobicContact CG1-CD1 4.12Å; V7-L113 WeakPolarHBondContact O-CD1 3.32Å; V7-F116 HydrophobicContact CG2-CB 4.17Å; V7-F116 HydrophobicContact CG2-CD1 4.33Å; V7-N117 PolarHBondContact N-OD1 2.82Å; V7-N117 PolarHBondContact O-ND2 3.3Å; V7-N117 PolarHBondContact O-OD1 3.01Å
8S97.4Very high82.7Confident13 Ų1374.4 Ų74.49%0.09141%0.414CS..PPolyproline II helixtrans-74161.4179.780.30000111.5S5 E11 R37 K38S5-S8 WeakPolarHBondContact OG-CA 3.38Å; S8-E11 PolarHBondContact OG-OE1 2.89Å; S8-R37 WeakPolarHBondContact O-CD 3.41Å; S8-R37 VanDerWaalsContact O-CG 3.3Å; S8-R37 WeakPolarHBondContact O-CG 3.45Å; S8-R37 PolarHBondContact O-NH1 2.81Å; S8-K38 PolarHBondContact N-O 2.87Å; S8-K38 WeakPolarHBondContact OG-CB 3.36Å; S8-K38 PolarHBondContact OG-N 3.18Å
9C96.8Very high81.7Confident80 Ų8081.1 Ų81.154%0.54144%0.441SS..PPolyproline II helixtrans-56.4160.2165.1-68.10000111.7E11 R37C9-E11 PolarHBondContact O-N 2.83Å; C9-R37 VanDerWaalsContact CA-NH1 3.31Å
10I96.1Very high80.7Confident88 Ų8881.3 Ų81.345%0.45146%0.463SS..PPolyproline II helixtrans-62129.5173.2-164.9166.3000110.6A35 R37 Y222I10-A35 HydrophobicContact CD1-CB 3.7Å; I10-A35 HydrophobicContact CG1-CB 3.61Å; I10-R37 HydrophobicContact CB-CG 4.38Å; I10-Y222 HydrophobicContact CD1-CD1 4.32Å; I10-Y222 HydrophobicContact CD1-CD2 3.83Å; I10-Y222 HydrophobicContact CD1-CE1 4.4Å; I10-Y222 HydrophobicContact CD1-CE2 3.93Å; I10-Y222 HydrophobicContact CD1-CG 4.03Å; I10-Y222 HydrophobicContact CG1-CD2 4.12Å; I10-Y222 HydrophobicContact CG1-CE2 4.05Å
11E95.9Very high79.9Confident56 Ų5680.7 Ų80.726%0.26246%0.461SS..EExtended strand (participates in β ladder)trans-120.4151.1178.5-66.9168.9-124.800109.4S8 C9 S15 A35 V36 K38S8-E11 PolarHBondContact OG-OE1 2.89Å; C9-E11 PolarHBondContact O-N 2.83Å; E11-S15 WeakPolarHBondContact CB-OG 3.23Å; E11-S15 WeakPolarHBondContact OE2-CB 3.5Å; E11-S15 PolarHBondContact OE2-OG 3.02Å; E11-A35 CarbonylContact O-C 3.59Å; E11-A35 WeakPolarHBondContact O-CA 3.15Å; E11-A35 WeakPolarHBondContact O-CB 3.31Å; E11-V36 HydrophobicContact CB-CG1 4.11Å; E11-V36 PolarHBondContact N-O 2.57Å; E11-V36 PolarHBondContact O-N 3.2Å; E11-K38 IonicContact OE1-NZ 3.6Å; E11-K38 IonicContact OE2-NZ 3.4Å; E11-K38 PolarHBondContact OE2-NZ 2.86Å
12D95.8Very high81.4Confident91 Ų9176.7 Ų76.749%0.48744%0.444SS..EExtended strand (participates in β ladder)trans-61.2143.5170.6-173.8-83.5000109.9S14 S15D12-S14 PolarHBondContact O-N 3Å; D12-S14 WeakPolarHBondContact OD1-CB 3.49Å; D12-S14 PolarHBondContact OD1-N 3.21Å; D12-S14 PolarHBondContact OD1-OG 3.1Å; D12-S15 WeakPolarHBondContact O-CB 3.36Å; D12-S15 PolarHBondContact O-N 3.3Å; D12-S15 PolarHBondContact O-OG 3.18Å
13I94.8Very high83.4Confident10 Ų1069.3 Ų69.35%0.05141%0.413CS..G310 helixtrans-56.5-25.3-178.8-164.565000112.7S15 L16 L29 F33 S34 V36 L221I13-S15 PolarHBondContact O-N 3.41Å; I13-L16 HydrophobicContact CD1-CD1 3.74Å; I13-L16 PolarHBondContact O-N 3.22Å; I13-L29 HydrophobicContact CD1-CD2 4.03Å; I13-L29 HydrophobicContact CD1-CG 4.12Å; I13-L29 HydrophobicContact CG1-CD2 4.28Å; I13-L29 HydrophobicContact CG1-CG 4.19Å; I13-F33 HydrophobicContact CD1-CB 4.13Å; I13-F33 HydrophobicContact CG1-CB 4.33Å; I13-S34 PolarHBondContact N-O 3.22Å; I13-V36 HydrophobicContact CD1-CB 4.17Å; I13-L221 HydrophobicContact CD1-CD2 3.65Å
14S91.4Very high85.3Confident63 Ų6364.2 Ų64.244%0.44139%0.389SS..G310 helixtrans-62.7-18.2174.161.60000113.8D12 L16 L17D12-S14 PolarHBondContact O-N 3Å; D12-S14 WeakPolarHBondContact OD1-CB 3.49Å; D12-S14 PolarHBondContact OD1-N 3.21Å; D12-S14 PolarHBondContact OD1-OG 3.1Å; S14-L16 PolarHBondContact O-N 3.01Å; S14-L17 VanDerWaalsContact O-CB 3.27Å; S14-L17 WeakPolarHBondContact O-CB 3.49Å; S14-L17 WeakPolarHBondContact O-CG 3.46Å; S14-L17 PolarHBondContact O-N 3.37Å
15S90.8Very high86.3Confident47 Ų4760.6 Ų60.633%0.32936%0.363SS..G310 helixtrans-67.6-12.3175.388.30000113.6E11 D12 I13 K38E11-S15 WeakPolarHBondContact CB-OG 3.23Å; E11-S15 WeakPolarHBondContact OE2-CB 3.5Å; E11-S15 PolarHBondContact OE2-OG 3.02Å; D12-S15 WeakPolarHBondContact O-CB 3.36Å; D12-S15 PolarHBondContact O-N 3.3Å; D12-S15 PolarHBondContact O-OG 3.18Å; I13-S15 PolarHBondContact O-N 3.41Å; S15-K38 PolarHBondContact OG-NZ 3.35Å
16L86.9Confident86.1Confident23 Ų2359.5 Ų59.512%0.1235%0.352CS..G310 helixtrans-87.5-11.4171.5-61.1177.9000113.3I13 S14 P18 Y26 L29 V36 L212I13-L16 HydrophobicContact CD1-CD1 3.74Å; I13-L16 PolarHBondContact O-N 3.22Å; S14-L16 PolarHBondContact O-N 3.01Å; L16-P18 VanDerWaalsContact O-CD 3.23Å; L16-P18 WeakPolarHBondContact O-CD 2.75Å; L16-Y26 HydrophobicContact CB-CE1 4.49Å; L16-L29 HydrophobicContact CD1-CD2 4.04Å; L16-V36 HydrophobicContact CD1-CB 4.21Å; L16-V36 HydrophobicContact CD1-CG1 4.28Å; L16-V36 HydrophobicContact CD1-CG2 4.04Å; L16-V36 HydrophobicContact CD2-CG1 4.26Å; L16-V36 HydrophobicContact CD2-CG2 4.28Å; L16-V36 HydrophobicContact CG-CB 4.46Å; L16-V36 HydrophobicContact CG-CG1 4Å; L16-V36 HydrophobicContact CG-CG2 4.4Å; L16-L212 HydrophobicContact CD1-CD2 3.48Å; L16-L212 VanDerWaalsContact CD1-CD2 3.48Å
17L80.9Confident85.7Confident84 Ų8463.7 Ų63.744%0.4437%0.371SS..PPolyproline II helixtrans-74116.7-176.7-63.1172.5000109.7S14 E19 Y26S14-L17 VanDerWaalsContact O-CB 3.27Å; S14-L17 WeakPolarHBondContact O-CB 3.49Å; S14-L17 WeakPolarHBondContact O-CG 3.46Å; S14-L17 PolarHBondContact O-N 3.37Å; L17-E19 PolarHBondContact O-N 3.28Å; L17-Y26 VanDerWaalsContact CD2-CB 3.47Å; L17-Y26 HydrophobicContact CD2-CD1 4.01Å; L17-Y26 HydrophobicContact CD2-CG 3.81Å
18P72.3Confident85.4Confident54 Ų5465.7 Ų65.735%0.35138%0.382SS..PPolyproline II helixtrans-65.1134.9170.6-10.324.9000108.9L16 G20 T21 Y26L16-P18 VanDerWaalsContact O-CD 3.23Å; L16-P18 WeakPolarHBondContact O-CD 2.75Å; P18-G20 PolarHBondContact O-N 3.49Å; P18-T21 WeakPolarHBondContact O-CB 3.28Å; P18-T21 PolarHBondContact O-N 2.83Å; P18-Y26 HydrophobicContact CG-CE2 3.93Å
19E64.3Low85.2Confident201 Ų20165.2 Ų65.294%0.93938%0.378SS*.THydrogen-bonded Turntrans-50.9127.3179.1-68.9-172173.500110.9L17 T21L17-E19 PolarHBondContact O-N 3.28Å; E19-T21 VanDerWaalsContact C-N 3.34Å; E19-T21 PolarHBondContact O-N 2.93Å
20G62Low85Confident85 Ų8562.3 Ų62.388%0.87636%0.362SS*.THydrogen-bonded Turntrans78.73.317800000116.5P18P18-G20 PolarHBondContact O-N 3.49Å
21T64.3Low84.8Confident70 Ų7066.5 Ų66.543%0.42937%0.372SS..  trans-93.8115.4-178.8-57.90000112.7P18 E19 S23 Y26P18-T21 WeakPolarHBondContact O-CB 3.28Å; P18-T21 PolarHBondContact O-N 2.83Å; E19-T21 VanDerWaalsContact C-N 3.34Å; E19-T21 PolarHBondContact O-N 2.93Å; T21-S23 PolarHBondContact O-N 3.48Å; T21-Y26 HydrophobicContact CG2-CD2 4.34Å; T21-Y26 HydrophobicContact CG2-CE2 4.43Å
22L68.2Low84.7Confident150 Ų15067 Ų6779%0.78538%0.375SS*.  trans-96.253.5173.8-73.3163.3000111.6P24L22-P24 WeakPolarHBondContact O-CD 3.37Å
23S85.2Confident84.7Confident33 Ų3362.8 Ų62.823%0.23135%0.352CS..  trans-72.7129.6176.2-174.70000110.6T21 K25 Y26 Q27T21-S23 PolarHBondContact O-N 3.48Å; S23-K25 PolarHBondContact O-N 3.27Å; S23-K25 PolarHBondContact OG-N 3.18Å; S23-Y26 VanDerWaalsContact CB-CD2 3.44Å; S23-Y26 PolarHBondContact O-N 3.17Å; S23-Y26 VanDerWaalsContact O-N 3.17Å; S23-Q27 PolarHBondContact O-N 3.26Å
24P89.2Confident84.8Confident58 Ų5864.1 Ų64.138%0.37736%0.362SS..Hα-helixtrans-55.4-35.5171.5-25.735.1000113L22 Y26 Q27 D28 Q194L22-P24 WeakPolarHBondContact O-CD 3.37Å; P24-Y26 PolarHBondContact O-N 3.48Å; P24-Q27 PolarHBondContact O-N 3.4Å; P24-D28 WeakPolarHBondContact O-CB 3.43Å; P24-D28 PolarHBondContact O-N 3.41Å; P24-Q194 HydrophobicContact CB-CB 4.38Å; P24-Q194 HydrophobicContact CG-CB 4.46Å
25K90.9Very high85Confident11 Ų1161.6 Ų61.65%0.04835%0.345CS..Hα-helixtrans-61-44.8176.4-67.7-163.2-170.4-175.80112.6S23 Q27 D28 L29 M189 E190 G191 E193 Q195 L196S23-K25 PolarHBondContact O-N 3.27Å; S23-K25 PolarHBondContact OG-N 3.18Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 3.45Å; K25-D28 PolarHBondContact O-N 3.38Å; K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 PolarHBondContact O-N 3.36Å; K25-M189 HydrophobicContact CB-CE 4.04Å; K25-M189 HydrophobicContact CB-SD 4.24Å; K25-M189 PolarHBondContact NZ-O 3.4Å; K25-E190 PolarHBondContact NZ-O 3.18Å; K25-G191 PolarHBondContact NZ-O 3.49Å; K25-E193 WeakPolarHBondContact CE-O 3.43Å; K25-Q195 VanDerWaalsContact CE-O 3.23Å; K25-Q195 WeakPolarHBondContact CE-O 3.44Å; K25-L196 HydrophobicContact CB-CD2 3.93Å; K25-L196 HydrophobicContact CB-CG 4.48Å; K25-L196 HydrophobicContact CD-CD2 4.31Å; K25-L196 HydrophobicContact CG-CD2 4.36Å
26Y90Very high85.4Confident25 Ų2559.4 Ų59.410%0.09833%0.33CS..Hα-helixtrans-66.7-36178.2-80.1-58.3000112.1L16 L17 P18 T21 S23 P24 L29 G30 M189 Q214L16-Y26 HydrophobicContact CB-CE1 4.49Å; L17-Y26 VanDerWaalsContact CD2-CB 3.47Å; L17-Y26 HydrophobicContact CD2-CD1 4.01Å; L17-Y26 HydrophobicContact CD2-CG 3.81Å; P18-Y26 HydrophobicContact CG-CE2 3.93Å; T21-Y26 HydrophobicContact CG2-CD2 4.34Å; T21-Y26 HydrophobicContact CG2-CE2 4.43Å; S23-Y26 VanDerWaalsContact CB-CD2 3.44Å; S23-Y26 PolarHBondContact O-N 3.17Å; S23-Y26 VanDerWaalsContact O-N 3.17Å; P24-Y26 PolarHBondContact O-N 3.48Å; Y26-L29 PolarHBondContact O-N 2.95Å; Y26-G30 PolarHBondContact O-N 2.84Å; Y26-M189 HydrophobicContact CD1-CE 3.58Å; Y26-M189 HydrophobicContact CD2-CE 4.17Å; Y26-M189 HydrophobicContact CE1-CE 3.33Å; Y26-M189 HydrophobicContact CE2-CE 3.91Å; Y26-M189 HydrophobicContact CG-CE 3.97Å; Y26-M189 VanDerWaalsContact CZ-CE 3.48Å; Y26-Q214 PolarHBondContact OH-NE2 3.17Å
27Q89.5Confident85.9Confident94 Ų9458.5 Ų58.544%0.43933%0.325SS..Hα-helixtrans-65.3-41.8173.7-65.9179.212.600111.6S23 P24 K25 R31S23-Q27 PolarHBondContact O-N 3.26Å; P24-Q27 PolarHBondContact O-N 3.4Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 3.45Å; Q27-R31 VanDerWaalsContact O-CG 3.31Å; Q27-R31 WeakPolarHBondContact O-CG 3.44Å; Q27-R31 PolarHBondContact O-N 3.36Å
28D91.1Very high86.6Confident44 Ų4458 Ų5824%0.23532%0.319CS..Hα-helixtrans-65.5-43.8176-168.323.3000111.5P24 K25 G30 R31 Q32 L196P24-D28 WeakPolarHBondContact O-CB 3.43Å; P24-D28 PolarHBondContact O-N 3.41Å; K25-D28 PolarHBondContact O-N 3.38Å; D28-G30 VanDerWaalsContact C-N 3.33Å; D28-G30 PolarHBondContact O-N 3.24Å; D28-R31 WeakPolarHBondContact O-CB 3.37Å; D28-R31 PolarHBondContact O-N 2.95Å; D28-Q32 VanDerWaalsContact CG-NE2 3.29Å; D28-Q32 WeakPolarHBondContact O-CG 3.35Å; D28-Q32 PolarHBondContact O-N 2.78Å; D28-Q32 VanDerWaalsContact O-N 3.1Å; D28-Q32 PolarHBondContact OD1-NE2 2.83Å; D28-Q32 PolarHBondContact OD2-NE2 3.01Å; D28-L196 HydrophobicContact CB-CD1 4.04Å; D28-L196 HydrophobicContact CB-CG 4.4Å
29L93.1Very high87.9Confident2 Ų255.8 Ų55.81%0.0130%0.304CS..Hα-helixtrans-56.3-47.5175.6-170.872000111I13 L16 K25 Y26 R31 Q32 F33 V187 M189 L196 L212 L221I13-L29 HydrophobicContact CD1-CD2 4.03Å; I13-L29 HydrophobicContact CD1-CG 4.12Å; I13-L29 HydrophobicContact CG1-CD2 4.28Å; I13-L29 HydrophobicContact CG1-CG 4.19Å; L16-L29 HydrophobicContact CD1-CD2 4.04Å; K25-L29 WeakPolarHBondContact O-CB 3.31Å; K25-L29 PolarHBondContact O-N 3.36Å; Y26-L29 PolarHBondContact O-N 2.95Å; L29-R31 VanDerWaalsContact C-N 3.25Å; L29-R31 PolarHBondContact O-N 3.02Å; L29-Q32 PolarHBondContact O-N 2.87Å; L29-F33 HydrophobicContact CD1-CD2 3.69Å; L29-F33 HydrophobicContact CD1-CE2 4.12Å; L29-F33 HydrophobicContact CG-CD2 4.4Å; L29-F33 PolarHBondContact O-N 2.84Å; L29-V187 HydrophobicContact CD1-CG1 3.92Å; L29-M189 HydrophobicContact CD2-SD 4.33Å; L29-L196 HydrophobicContact CB-CD1 4.03Å; L29-L196 HydrophobicContact CD1-CD1 4.14Å; L29-L212 HydrophobicContact CD1-CD1 3.94Å; L29-L212 HydrophobicContact CD2-CD1 4.04Å; L29-L212 HydrophobicContact CD2-CD2 4.49Å; L29-L221 HydrophobicContact CD1-CD1 4.15Å; L29-L221 HydrophobicContact CD1-CD2 4.44Å
30G92.1Very high89.4Confident20 Ų2051.2 Ų51.221%0.20628%0.28CS..Hα-helixtrans-67.8-19.9178.100000114.9Y26 D28 F33 R224Y26-G30 PolarHBondContact O-N 2.84Å; D28-G30 VanDerWaalsContact C-N 3.33Å; D28-G30 PolarHBondContact O-N 3.24Å; G30-F33 CarbonylContact C-O 3.48Å; G30-F33 VanDerWaalsContact O-O 3.09Å; G30-R224 PolarHBondContact O-NH2 3.08Å
31R92.1Very high91Very high176 Ų17649.8 Ų49.866%0.66426%0.264SS*.Hα-helixtrans-77.4-38.8172-72.9169.7-177.4174.53.4111.6Q27 D28 L29Q27-R31 VanDerWaalsContact O-CG 3.31Å; Q27-R31 WeakPolarHBondContact O-CG 3.44Å; Q27-R31 PolarHBondContact O-N 3.36Å; D28-R31 WeakPolarHBondContact O-CB 3.37Å; D28-R31 PolarHBondContact O-N 2.95Å; L29-R31 VanDerWaalsContact C-N 3.25Å; L29-R31 PolarHBondContact O-N 3.02Å
32Q94Very high92.5Very high66 Ų6648 Ų4831%0.30825%0.252SS..Hα-helixtrans-85.9-33.8-175.1-62.4-174.847.100113D28 L29 H198 R224D28-Q32 VanDerWaalsContact CG-NE2 3.29Å; D28-Q32 WeakPolarHBondContact O-CG 3.35Å; D28-Q32 PolarHBondContact O-N 2.78Å; D28-Q32 VanDerWaalsContact O-N 3.1Å; D28-Q32 PolarHBondContact OD1-NE2 2.83Å; D28-Q32 PolarHBondContact OD2-NE2 3.01Å; L29-Q32 PolarHBondContact O-N 2.87Å; Q32-H198 PolarHBondContact OE1-CE1 3.25Å; Q32-R224 PolarHBondContact O-N 3.08Å
33F96.1Very high93.7Very high2 Ų241.9 Ų41.91%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-120.6148.3-176-58.5-84.7000110.5I13 L29 G30 H185 V187 H210 L221 Y222 Q223I13-F33 HydrophobicContact CD1-CB 4.13Å; I13-F33 HydrophobicContact CG1-CB 4.33Å; L29-F33 HydrophobicContact CD1-CD2 3.69Å; L29-F33 HydrophobicContact CD1-CE2 4.12Å; L29-F33 HydrophobicContact CG-CD2 4.4Å; L29-F33 PolarHBondContact O-N 2.84Å; G30-F33 CarbonylContact C-O 3.48Å; G30-F33 VanDerWaalsContact O-O 3.09Å; F33-H185 AromaticContact CZ-CE1 3.88Å; F33-V187 HydrophobicContact CE2-CG2 3.74Å; F33-V187 HydrophobicContact CZ-CG2 3.6Å; F33-H210 HydrophobicContact CE1-CB 3.99Å; F33-L221 HydrophobicContact CB-CD2 4.43Å; F33-L221 HydrophobicContact CD1-CB 3.61Å; F33-L221 HydrophobicContact CD1-CD1 4.12Å; F33-L221 HydrophobicContact CD1-CG 4.32Å; F33-L221 HydrophobicContact CD2-CD1 4.13Å; F33-L221 HydrophobicContact CE1-CB 3.83Å; F33-L221 HydrophobicContact CE1-CD1 3.99Å; F33-L221 HydrophobicContact CE2-CD1 4.03Å; F33-L221 HydrophobicContact CG-CB 4.2Å; F33-L221 HydrophobicContact CG-CD1 4.18Å; F33-L221 HydrophobicContact CG-CD2 4.33Å; F33-L221 HydrophobicContact CG-CG 4.49Å; F33-L221 HydrophobicContact CZ-CD1 3.95Å; F33-Y222 WeakPolarHBondContact CA-O 3.29Å; F33-Y222 WeakPolarHBondContact CB-O 3.28Å; F33-Q223 HydrophobicContact CD1-CG 4.08Å; F33-Q223 HydrophobicContact CE1-CG 3.72Å
34S95.8Very high94.3Very high38 Ų3840.6 Ų40.627%0.26622%0.216SC..EExtended strand (participates in β ladder)trans-105.3-28.417950.60000112.8I13 Y222I13-S34 PolarHBondContact N-O 3.22Å; S34-Y222 PolarHBondContact N-O 3.3Å
35A97Very high94.7Very high11 Ų1138.2 Ų38.29%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-146.7165-174.300000112.4I10 E11 Y222I10-A35 HydrophobicContact CD1-CB 3.7Å; I10-A35 HydrophobicContact CG1-CB 3.61Å; E11-A35 CarbonylContact O-C 3.59Å; E11-A35 WeakPolarHBondContact O-CA 3.15Å; E11-A35 WeakPolarHBondContact O-CB 3.31Å; A35-Y222 HydrophobicContact CB-CD2 3.99Å; A35-Y222 HydrophobicContact CB-CG 4.32Å; A35-Y222 PolarHBondContact O-N 3.31Å
36V97.6Very high95.1Very high0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans-137.6147.8178640000109.8E11 I13 L16 N219 I220 L221E11-V36 HydrophobicContact CB-CG1 4.11Å; E11-V36 PolarHBondContact N-O 2.57Å; E11-V36 PolarHBondContact O-N 3.2Å; I13-V36 HydrophobicContact CD1-CB 4.17Å; L16-V36 HydrophobicContact CD1-CB 4.21Å; L16-V36 HydrophobicContact CD1-CG1 4.28Å; L16-V36 HydrophobicContact CD1-CG2 4.04Å; L16-V36 HydrophobicContact CD2-CG1 4.26Å; L16-V36 HydrophobicContact CD2-CG2 4.28Å; L16-V36 HydrophobicContact CG-CB 4.46Å; L16-V36 HydrophobicContact CG-CG1 4Å; L16-V36 HydrophobicContact CG-CG2 4.4Å; V36-N219 HydrophobicContact CG2-CB 3.95Å; V36-I220 CarbonylContact C-O 3.56Å; V36-I220 VanDerWaalsContact CA-O 3.25Å; V36-I220 WeakPolarHBondContact CA-O 3.5Å; V36-I220 WeakPolarHBondContact CG2-O 3.44Å; V36-L221 HydrophobicContact CG2-CD2 4.44Å
37R97.4Very high95.5Very high4 Ų436.6 Ų36.62%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-112128.9156-85-176.1-175.2-92.9-7.7108.7S8 C9 I10 E56 E109 N219 I220 Y222S8-R37 WeakPolarHBondContact O-CD 3.41Å; S8-R37 VanDerWaalsContact O-CG 3.3Å; S8-R37 WeakPolarHBondContact O-CG 3.45Å; S8-R37 PolarHBondContact O-NH1 2.81Å; C9-R37 VanDerWaalsContact CA-NH1 3.31Å; I10-R37 HydrophobicContact CB-CG 4.38Å; R37-E56 IonicContact NE-OE1 3.53Å; R37-E56 PolarHBondContact NE-OE1 2.92Å; R37-E109 IonicContact CZ-OE1 3.8Å; R37-E109 IonicContact NH2-OE1 3.31Å; R37-E109 PolarHBondContact NH2-OE1 2.59Å; R37-N219 WeakPolarHBondContact O-CB 3.47Å; R37-I220 HydrophobicContact CB-CB 4.17Å; R37-I220 HydrophobicContact CB-CD1 4.36Å; R37-I220 PolarHBondContact N-O 2.89Å; R37-I220 PolarHBondContact O-N 2.78Å; R37-Y222 HydrophobicContact CB-CE2 4.19Å; R37-Y222 WeakPolarHBondContact CD-OH 3.4Å; R37-Y222 HydrophobicContact CG-CE2 3.92Å; R37-Y222 PolarHBondContact NE-OH 3.48Å
38K97.4Very high95.9Very high73 Ų7332.1 Ų32.132%0.31717%0.173SC..  trans-79.4139.1174.8-67.3169.9-179.7150.20109.4S8 E11 S15 N219S8-K38 PolarHBondContact N-O 2.87Å; S8-K38 WeakPolarHBondContact OG-CB 3.36Å; S8-K38 PolarHBondContact OG-N 3.18Å; E11-K38 IonicContact OE1-NZ 3.6Å; E11-K38 IonicContact OE2-NZ 3.4Å; E11-K38 PolarHBondContact OE2-NZ 2.86Å; S15-K38 PolarHBondContact OG-NZ 3.35Å; K38-N219 WeakPolarHBondContact CA-OD1 3.41Å
39V97.9Very high96.3Very high8 Ų830 Ų305%0.04816%0.162CC..BIsolated β-bridgetrans-112.2148175.2-176.20000108L6 G41 C45 R48 A49 H217 N219 I220L6-V39 WeakPolarHBondContact O-CA 3.31Å; V39-G41 PolarHBondContact O-N 2.81Å; V39-C45 HydrophobicContact CG1-CB 4.07Å; V39-R48 HydrophobicContact CG1-CB 3.96Å; V39-R48 HydrophobicContact CG1-CG 4.15Å; V39-A49 HydrophobicContact CG2-CB 3.99Å; V39-H217 PolarHBondContact O-CE1 2.81Å; V39-H217 PolarHBondContact O-NE2 2.81Å; V39-N219 PolarHBondContact N-OD1 2.76Å; V39-I220 HydrophobicContact CG2-CD1 4.32Å; V39-I220 HydrophobicContact CG2-CG1 4.16Å
40Y96.7Very high96.5Very high106 Ų10630 Ų3042%0.41616%0.161SC..  trans-69.2134.8-179.9-173.5-111.1000111.4C4 L6 D42C4-Y40 HydrophobicContact CB-CE2 4.31Å; C4-Y40 WeakPolarHBondContact SG-CE2 3.27Å; L6-Y40 HydrophobicContact CD2-CD1 3.94Å; L6-Y40 HydrophobicContact CD2-CG 4.17Å; L6-Y40 PolarHBondContact O-N 3.12Å; Y40-D42 HydrophobicContact CD1-CB 3.66Å; Y40-D42 HydrophobicContact CE1-CB 3.82Å; Y40-D42 PolarHBondContact O-N 3.06Å; Y40-D42 VanDerWaalsContact O-N 3.13Å
41G95.1Very high96.8Very high54 Ų5429.2 Ų29.256%0.55715%0.153SC*.  trans-84.973.1-176.900000112.8V39V39-G41 PolarHBondContact O-N 2.81Å
42D95.4Very high97.2Very high33 Ų3320.8 Ų20.818%0.17612%0.121CC..SBendtrans-113.517.6-17964.4-10.7000113.5Y40 N44 R48 A165Y40-D42 HydrophobicContact CD1-CB 3.66Å; Y40-D42 HydrophobicContact CE1-CB 3.82Å; Y40-D42 PolarHBondContact O-N 3.06Å; Y40-D42 VanDerWaalsContact O-N 3.13Å; D42-N44 PolarHBondContact O-N 3.22Å; D42-N44 WeakPolarHBondContact OD1-CA 3.34Å; D42-N44 VanDerWaalsContact OD1-CB 3.25Å; D42-N44 WeakPolarHBondContact OD1-CB 3.25Å; D42-N44 PolarHBondContact OD1-N 3.4Å; D42-N44 PolarHBondContact OD2-ND2 3.1Å; D42-N44 VanDerWaalsContact OD2-ND2 3.08Å; D42-R48 IonicContact OD2-CZ 3.61Å; D42-R48 IonicContact OD2-NH2 2.95Å; D42-R48 PolarHBondContact OD2-NH2 2.92Å; D42-A165 WeakPolarHBondContact O-CA 3.22Å; D42-A165 WeakPolarHBondContact O-CB 3.47Å
43G94.6Very high97.4Very high21 Ų2118 Ų1822%0.21611%0.11CC..SBendtrans73.6-3.6-171.700000114.4R130G43-R130 PolarHBondContact O-NH2 3.24Å; G43-R130 VanDerWaalsContact O-NH2 3.16Å
44N97.9Very high97.5Very high7 Ų718.5 Ų18.54%0.03711%0.112CC..  trans-103.21.7175.1-56.6-55.9000113.1D42 F46 Y47 R48 V126 R130 A165D42-N44 PolarHBondContact O-N 3.22Å; D42-N44 WeakPolarHBondContact OD1-CA 3.34Å; D42-N44 VanDerWaalsContact OD1-CB 3.25Å; D42-N44 WeakPolarHBondContact OD1-CB 3.25Å; D42-N44 PolarHBondContact OD1-N 3.4Å; D42-N44 PolarHBondContact OD2-ND2 3.1Å; D42-N44 VanDerWaalsContact OD2-ND2 3.08Å; N44-F46 VanDerWaalsContact C-N 3.28Å; N44-F46 PolarHBondContact O-N 3.16Å; N44-F46 VanDerWaalsContact O-N 3.16Å; N44-Y47 PolarHBondContact O-N 2.79Å; N44-Y47 VanDerWaalsContact O-N 3.16Å; N44-R48 PolarHBondContact O-N 2.8Å; N44-V126 HydrophobicContact CB-CG1 3.75Å; N44-V126 HydrophobicContact CB-CG2 4.15Å; N44-R130 PolarHBondContact OD1-NE 3.33Å; N44-R130 PolarHBondContact OD1-NH2 3.42Å; N44-A165 PolarHBondContact OD1-N 3.34Å
45C97.8Very high97.6Very high8 Ų816.8 Ų16.85%0.05410%0.1CC..Hα-helixtrans-52.2-40.5-170.959.50000113.8V39 R48 A49 H217 Y218V39-C45 HydrophobicContact CG1-CB 4.07Å; C45-R48 PolarHBondContact O-N 2.8Å; C45-A49 WeakPolarHBondContact O-CB 3.32Å; C45-A49 PolarHBondContact O-N 2.84Å; C45-H217 VanDerWaalsContact CB-CE1 3.45Å; C45-H217 WeakPolarHBondContact CB-CE1 3.47Å; C45-H217 WeakPolarHBondContact CB-ND1 3.16Å; C45-H217 PolarHBondContact SG-ND1 3.34Å; C45-Y218 PolarHBondContact SG-N 2.65Å; C45-Y218 VanDerWaalsContact SG-N 3.44Å
46F98.5Very high97.6Very high2 Ų217.5 Ų17.51%0.00910%0.101CC..Hα-helixtrans-60.3-56.9176.9172.5-103.8000112.4N44 R48 A49 I50 C168 I173 L176 I184 L211 Y218N44-F46 VanDerWaalsContact C-N 3.28Å; N44-F46 PolarHBondContact O-N 3.16Å; N44-F46 VanDerWaalsContact O-N 3.16Å; F46-R48 VanDerWaalsContact C-N 3.25Å; F46-R48 PolarHBondContact O-N 2.85Å; F46-A49 PolarHBondContact O-N 3.03Å; F46-I50 HydrophobicContact CE1-CG2 4.47Å; F46-I50 HydrophobicContact CZ-CD1 4.03Å; F46-I50 HydrophobicContact CZ-CG2 4.49Å; F46-I50 VanDerWaalsContact O-CG2 3.31Å; F46-I50 WeakPolarHBondContact O-CG2 3.25Å; F46-I50 PolarHBondContact O-N 2.97Å; F46-C168 HydrophobicContact CB-CB 3.85Å; F46-C168 HydrophobicContact CD1-CB 3.85Å; F46-C168 WeakPolarHBondContact CD1-SG 3.24Å; F46-C168 HydrophobicContact CG-CB 4.01Å; F46-I173 HydrophobicContact CD1-CG1 4.33Å; F46-I173 HydrophobicContact CD2-CD1 4.38Å; F46-I173 HydrophobicContact CD2-CG1 4.09Å; F46-I173 HydrophobicContact CE1-CB 4.41Å; F46-I173 HydrophobicContact CE1-CG1 3.94Å; F46-I173 HydrophobicContact CE2-CB 4.21Å; F46-I173 HydrophobicContact CE2-CD1 4.26Å; F46-I173 HydrophobicContact CE2-CG1 3.71Å; F46-I173 HydrophobicContact CE2-CG2 3.79Å; F46-I173 HydrophobicContact CG-CG1 4.39Å; F46-I173 HydrophobicContact CZ-CB 3.87Å; F46-I173 HydrophobicContact CZ-CG1 3.64Å; F46-I173 HydrophobicContact CZ-CG2 3.69Å; F46-L176 HydrophobicContact CD1-CD2 4.45Å; F46-L176 HydrophobicContact CE1-CB 4.45Å; F46-L176 HydrophobicContact CE1-CD2 3.64Å; F46-L176 HydrophobicContact CZ-CD2 4.28Å; F46-I184 HydrophobicContact CE2-CD1 4.25Å; F46-I184 HydrophobicContact CZ-CD1 4.06Å; F46-L211 HydrophobicContact CD2-CD1 3.93Å; F46-L211 HydrophobicContact CE2-CD1 3.93Å; F46-Y218 HydrophobicContact CB-CD2 3.74Å; F46-Y218 HydrophobicContact CB-CE2 4.06Å; F46-Y218 HydrophobicContact CB-CG 4.24Å; F46-Y218 HydrophobicContact CD2-CD1 4.44Å; F46-Y218 HydrophobicContact CD2-CD2 4.48Å; F46-Y218 HydrophobicContact CD2-CE1 4.43Å; F46-Y218 HydrophobicContact CD2-CE2 4.47Å; F46-Y218 HydrophobicContact CD2-CG 4.45Å
47Y98.7Very high97.5Very high0 Ų022.2 Ų22.20%013%0.126CC..Hα-helixtrans-59.2-38.2-179.6-67.2-80.5000112N44 I50 C51 V126 L129 R130 T133 C168 L176N44-Y47 PolarHBondContact O-N 2.79Å; N44-Y47 VanDerWaalsContact O-N 3.16Å; Y47-I50 WeakPolarHBondContact O-CG2 3.33Å; Y47-C51 WeakPolarHBondContact O-CB 3.19Å; Y47-C51 PolarHBondContact O-N 2.82Å; Y47-V126 HydrophobicContact CG-CG1 4.45Å; Y47-L129 HydrophobicContact CD1-CB 3.77Å; Y47-L129 HydrophobicContact CE1-CB 4.47Å; Y47-R130 HydrophobicContact CD1-CG 4.21Å; Y47-R130 HydrophobicContact CD2-CG 4.09Å; Y47-R130 HydrophobicContact CE1-CG 3.91Å; Y47-R130 HydrophobicContact CE2-CG 3.82Å; Y47-R130 HydrophobicContact CG-CG 4.29Å; Y47-T133 WeakPolarHBondContact CE1-OG1 3.48Å; Y47-C168 HydrophobicContact CE2-CB 4.1Å; Y47-L176 HydrophobicContact CD1-CD2 3.66Å; Y47-L176 HydrophobicContact CE1-CD2 3.84Å
48R98.7Very high97.5Very high0 Ų022.8 Ų22.80%013%0.129CC..Hα-helixtrans-68.5-46.5177.1-161.1176.6-47.9-77.18.8111.1V7 V39 D42 N44 C45 F46 F52 F116 S122 D123 V126V7-R48 HydrophobicContact CG2-CG 4.08Å; V39-R48 HydrophobicContact CG1-CB 3.96Å; V39-R48 HydrophobicContact CG1-CG 4.15Å; D42-R48 IonicContact OD2-CZ 3.61Å; D42-R48 IonicContact OD2-NH2 2.95Å; D42-R48 PolarHBondContact OD2-NH2 2.92Å; N44-R48 PolarHBondContact O-N 2.8Å; C45-R48 PolarHBondContact O-N 2.8Å; F46-R48 VanDerWaalsContact C-N 3.25Å; F46-R48 PolarHBondContact O-N 2.85Å; R48-F52 WeakPolarHBondContact O-CB 3.14Å; R48-F52 PolarHBondContact O-N 3.48Å; R48-F52 VanDerWaalsContact O-N 3.11Å; R48-F116 HydrophobicContact CG-CD1 4.08Å; R48-F116 HydrophobicContact CG-CE1 4.41Å; R48-S122 PolarHBondContact NH1-O 3.44Å; R48-S122 PolarHBondContact NH1-OG 3.13Å; R48-D123 IonicContact CZ-OD1 3.9Å; R48-D123 IonicContact NH1-OD1 2.59Å; R48-D123 PolarHBondContact NH1-OD1 2.95Å; R48-D123 IonicContact NH2-OD1 2.78Å; R48-D123 PolarHBondContact NH2-OD1 3.48Å; R48-V126 HydrophobicContact CB-CG2 4.12Å
49A98.6Very high97.5Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-63.4-49.9-179.100000112.3V39 C45 F46 C51 F52 A53 L211 I220V39-A49 HydrophobicContact CG2-CB 3.99Å; C45-A49 WeakPolarHBondContact O-CB 3.32Å; C45-A49 PolarHBondContact O-N 2.84Å; F46-A49 PolarHBondContact O-N 3.03Å; A49-C51 PolarHBondContact O-N 3.26Å; A49-F52 PolarHBondContact O-N 2.8Å; A49-A53 VanDerWaalsContact O-CB 3.23Å; A49-A53 WeakPolarHBondContact O-CB 3.22Å; A49-A53 PolarHBondContact O-N 2.86Å; A49-L211 HydrophobicContact CB-CD2 3.82Å; A49-I220 HydrophobicContact CB-CD1 4.45Å; A49-I220 HydrophobicContact CB-CG1 3.85Å
50I98.3Very high97.3Very high0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-63-42.9-177.1-168.9-178.8000111.7F46 Y47 H54 L176 L180 I184F46-I50 HydrophobicContact CE1-CG2 4.47Å; F46-I50 HydrophobicContact CZ-CD1 4.03Å; F46-I50 HydrophobicContact CZ-CG2 4.49Å; F46-I50 VanDerWaalsContact O-CG2 3.31Å; F46-I50 WeakPolarHBondContact O-CG2 3.25Å; F46-I50 PolarHBondContact O-N 2.97Å; Y47-I50 WeakPolarHBondContact O-CG2 3.33Å; I50-H54 VanDerWaalsContact O-CB 3.23Å; I50-H54 WeakPolarHBondContact O-CB 3.45Å; I50-H54 PolarHBondContact O-N 3.19Å; I50-L176 HydrophobicContact CD1-CD2 4.13Å; I50-L176 HydrophobicContact CD1-CG 4.38Å; I50-L176 HydrophobicContact CG2-CD2 3.8Å; I50-L180 HydrophobicContact CD1-CD1 4.39Å; I50-I184 HydrophobicContact CD1-CD1 3.4Å; I50-I184 VanDerWaalsContact CD1-CD1 3.4Å; I50-I184 HydrophobicContact CD1-CG1 4.05Å; I50-I184 HydrophobicContact CG1-CD1 4.34Å
51C98.4Very high97.2Very high4 Ų423.8 Ų23.83%0.02714%0.14CC..Hα-helixtrans-67.9-46.6-178.7-163.50000111.5Y47 A49 H54 L55 F116 V125 L129Y47-C51 WeakPolarHBondContact O-CB 3.19Å; Y47-C51 PolarHBondContact O-N 2.82Å; A49-C51 PolarHBondContact O-N 3.26Å; C51-H54 PolarHBondContact O-N 2.82Å; C51-L55 WeakPolarHBondContact O-CB 3.26Å; C51-L55 WeakPolarHBondContact O-CG 3.44Å; C51-L55 PolarHBondContact O-N 2.7Å; C51-F116 HydrophobicContact CB-CE1 4.12Å; C51-F116 HydrophobicContact CB-CZ 3.94Å; C51-V125 HydrophobicContact CB-CG1 4.23Å; C51-V125 VanDerWaalsContact SG-CG1 3.54Å; C51-L129 HydrophobicContact CB-CD1 3.55Å
52F98.7Very high97.1Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-59.4-53.1177.2-175.5-83.5000110.8V7 R48 A49 H54 L55 E56 L112 L113 F116 I220V7-F52 HydrophobicContact CB-CD2 4.46Å; V7-F52 HydrophobicContact CG1-CD1 4.17Å; V7-F52 HydrophobicContact CG1-CD2 4.05Å; V7-F52 HydrophobicContact CG1-CE1 4.16Å; V7-F52 HydrophobicContact CG1-CE2 4.04Å; V7-F52 HydrophobicContact CG1-CG 4.11Å; V7-F52 HydrophobicContact CG1-CZ 4.1Å; V7-F52 HydrophobicContact CG2-CD2 4.26Å; V7-F52 HydrophobicContact CG2-CG 4.49Å; R48-F52 WeakPolarHBondContact O-CB 3.14Å; R48-F52 PolarHBondContact O-N 3.48Å; R48-F52 VanDerWaalsContact O-N 3.11Å; A49-F52 PolarHBondContact O-N 2.8Å; F52-H54 VanDerWaalsContact C-N 3.32Å; F52-H54 PolarHBondContact O-N 2.97Å; F52-L55 PolarHBondContact O-N 2.95Å; F52-E56 HydrophobicContact CE1-CB 4.31Å; F52-E56 HydrophobicContact CE1-CG 4.48Å; F52-E56 WeakPolarHBondContact CE1-OE1 3.49Å; F52-E56 VanDerWaalsContact O-CB 3.31Å; F52-E56 WeakPolarHBondContact O-CB 3.22Å; F52-E56 PolarHBondContact O-N 3.42Å; F52-L112 HydrophobicContact CD2-CD2 4.23Å; F52-L112 HydrophobicContact CD2-CG 4Å; F52-L112 HydrophobicContact CE2-CD2 4.02Å; F52-L112 HydrophobicContact CE2-CG 3.74Å; F52-L112 HydrophobicContact CZ-CD2 4.25Å; F52-L112 HydrophobicContact CZ-CG 4.38Å; F52-L113 HydrophobicContact CE2-CB 4.45Å; F52-L113 HydrophobicContact CE2-CD1 4.05Å; F52-L113 HydrophobicContact CZ-CD1 4.1Å; F52-F116 HydrophobicContact CB-CD1 4.04Å; F52-F116 HydrophobicContact CB-CE1 3.91Å; F52-F116 HydrophobicContact CB-CZ 4.3Å; F52-F116 HydrophobicContact CD2-CB 3.9Å; F52-F116 HydrophobicContact CD2-CD1 4.01Å; F52-F116 AromaticContact CD2-CD2 3.98Å; F52-F116 HydrophobicContact CD2-CD2 3.98Å; F52-F116 AromaticContact CD2-CG 3.7Å; F52-F116 HydrophobicContact CD2-CG 3.7Å; F52-F116 HydrophobicContact CE2-CB 4.34Å; F52-I220 HydrophobicContact CB-CD1 4.13Å; F52-I220 HydrophobicContact CD1-CD1 3.54Å; F52-I220 HydrophobicContact CE1-CD1 4.4Å; F52-I220 HydrophobicContact CG-CD1 4.17Å
53A98.4Very high97.1Very high8 Ų832.2 Ų32.27%0.06616%0.161CC..Hα-helixtrans-61.3-39.7-17800000112.2A49 L57 V209 I220A49-A53 VanDerWaalsContact O-CB 3.23Å; A49-A53 WeakPolarHBondContact O-CB 3.22Å; A49-A53 PolarHBondContact O-N 2.86Å; A53-L57 WeakPolarHBondContact O-CB 3.32Å; A53-L57 PolarHBondContact O-N 3.03Å; A53-V209 HydrophobicContact CB-CG1 3.75Å; A53-V209 HydrophobicContact CB-CG2 4.21Å; A53-I220 HydrophobicContact CB-CD1 4.18Å; A53-I220 HydrophobicContact CB-CG1 4.36Å; A53-I220 HydrophobicContact CB-CG2 3.84Å
54H98.2Very high97.2Very high11 Ų1131.5 Ų31.55%0.05115%0.154CC..Hα-helixtrans-66.3-44.6177.1-174.766.8000112.2I50 C51 F52 L57 I58 F68 V182 V209I50-H54 VanDerWaalsContact O-CB 3.23Å; I50-H54 WeakPolarHBondContact O-CB 3.45Å; I50-H54 PolarHBondContact O-N 3.19Å; C51-H54 PolarHBondContact O-N 2.82Å; F52-H54 VanDerWaalsContact C-N 3.32Å; F52-H54 PolarHBondContact O-N 2.97Å; H54-L57 PolarHBondContact O-N 3Å; H54-I58 WeakPolarHBondContact O-CG1 3.35Å; H54-I58 PolarHBondContact O-N 3.19Å; H54-F68 AromaticContact CD2-CD2 3.54Å; H54-F68 AromaticContact CD2-CE2 3.59Å; H54-F68 AromaticContact NE2-CD2 3.51Å; H54-V182 VanDerWaalsContact CE1-CG2 3.42Å; H54-V182 WeakPolarHBondContact CE1-CG2 3.42Å; H54-V182 VanDerWaalsContact ND1-CG2 3.35Å; H54-V182 WeakPolarHBondContact ND1-CG2 3.34Å; H54-V209 HydrophobicContact CB-CG2 4.34Å
55L98.1Very high97.1Very high2 Ų231.2 Ų31.21%0.0115%0.152CC..Hα-helixtrans-65.9-41.1178-75172.9000112C51 F52 I58 L59 L65 F68 V99 V100 L112 F116C51-L55 WeakPolarHBondContact O-CB 3.26Å; C51-L55 WeakPolarHBondContact O-CG 3.44Å; C51-L55 PolarHBondContact O-N 2.7Å; F52-L55 PolarHBondContact O-N 2.95Å; L55-I58 HydrophobicContact CD2-CD1 4.44Å; L55-I58 WeakPolarHBondContact O-CG1 3.38Å; L55-I58 PolarHBondContact O-N 3.11Å; L55-L59 WeakPolarHBondContact O-CA 3.43Å; L55-L59 WeakPolarHBondContact O-CB 3.23Å; L55-L59 PolarHBondContact O-N 2.96Å; L55-L65 HydrophobicContact CD2-CD2 4.34Å; L55-F68 HydrophobicContact CD2-CD1 3.8Å; L55-F68 HydrophobicContact CD2-CE1 3.69Å; L55-F68 HydrophobicContact CD2-CG 4.45Å; L55-F68 HydrophobicContact CD2-CZ 4.26Å; L55-F68 HydrophobicContact CG-CE1 4.48Å; L55-V99 HydrophobicContact CD1-CG1 3.94Å; L55-V100 HydrophobicContact CD2-CG2 4.12Å; L55-L112 HydrophobicContact CB-CD1 3.95Å; L55-L112 HydrophobicContact CB-CD2 3.92Å; L55-L112 HydrophobicContact CD1-CD1 3.86Å; L55-F116 HydrophobicContact CD1-CE2 3.92Å; L55-F116 HydrophobicContact CD1-CZ 4.15Å
56E97.8Very high97.1Very high27 Ų2734.7 Ų34.713%0.12617%0.167CC..Hα-helixtrans-60.5-46.5176.1-173.7-178.8-122.300111R37 F52 I58 L59 L112 Y222R37-E56 IonicContact NE-OE1 3.53Å; R37-E56 PolarHBondContact NE-OE1 2.92Å; F52-E56 HydrophobicContact CE1-CB 4.31Å; F52-E56 HydrophobicContact CE1-CG 4.48Å; F52-E56 WeakPolarHBondContact CE1-OE1 3.49Å; F52-E56 VanDerWaalsContact O-CB 3.31Å; F52-E56 WeakPolarHBondContact O-CB 3.22Å; F52-E56 PolarHBondContact O-N 3.42Å; E56-I58 VanDerWaalsContact C-N 3.27Å; E56-I58 PolarHBondContact O-N 2.95Å; E56-L59 WeakPolarHBondContact O-CB 3.47Å; E56-L59 PolarHBondContact O-N 2.89Å; E56-L112 HydrophobicContact CB-CD2 3.92Å; E56-Y222 VanDerWaalsContact CD-OH 3.28Å; E56-Y222 PolarHBondContact OE1-OH 3.46Å; E56-Y222 WeakPolarHBondContact OE2-CE1 3.37Å; E56-Y222 VanDerWaalsContact OE2-CZ 3.29Å; E56-Y222 PolarHBondContact OE2-OH 3.15Å
57L96Very high97Very high99 Ų9941 Ų4152%0.51819%0.191SC..Hα-helixtrans-55.5-41.2177174.970.5000112.7A53 H54A53-L57 WeakPolarHBondContact O-CB 3.32Å; A53-L57 PolarHBondContact O-N 3.03Å; H54-L57 PolarHBondContact O-N 3Å
58I96.5Very high96.9Very high16 Ų1641.2 Ų41.28%0.08219%0.192CC..Hα-helixtrans-94.90.1-175.970.3178.8000113.5H54 L55 E56 H60 N61 A64 L65 F68H54-I58 WeakPolarHBondContact O-CG1 3.35Å; H54-I58 PolarHBondContact O-N 3.19Å; L55-I58 HydrophobicContact CD2-CD1 4.44Å; L55-I58 WeakPolarHBondContact O-CG1 3.38Å; L55-I58 PolarHBondContact O-N 3.11Å; E56-I58 VanDerWaalsContact C-N 3.27Å; E56-I58 PolarHBondContact O-N 2.95Å; I58-H60 VanDerWaalsContact C-N 3.27Å; I58-H60 PolarHBondContact O-N 2.91Å; I58-N61 WeakPolarHBondContact O-CA 3.48Å; I58-N61 PolarHBondContact O-N 3.18Å; I58-A64 HydrophobicContact CB-CB 3.77Å; I58-A64 HydrophobicContact CG2-CB 3.92Å; I58-L65 HydrophobicContact CD1-CD2 4.02Å; I58-L65 HydrophobicContact CD1-CG 4.46Å; I58-L65 HydrophobicContact CG1-CD2 3.85Å; I58-L65 HydrophobicContact CG1-CG 4.18Å; I58-F68 HydrophobicContact CD1-CB 3.76Å; I58-F68 HydrophobicContact CD1-CG 4.17Å
59L96.3Very high96.9Very high0 Ų043.1 Ų43.10%020%0.2CC..THydrogen-bonded Turntrans-56.3-38.9-169.2-173.862.9000113.4L55 E56 N61 L65 C103 E109L55-L59 WeakPolarHBondContact O-CA 3.43Å; L55-L59 WeakPolarHBondContact O-CB 3.23Å; L55-L59 PolarHBondContact O-N 2.96Å; E56-L59 WeakPolarHBondContact O-CB 3.47Å; E56-L59 PolarHBondContact O-N 2.89Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-L65 WeakPolarHBondContact O-CD1 3.36Å; L59-C103 HydrophobicContact CD1-CB 3.7Å; L59-E109 HydrophobicContact CD2-CB 4.15Å
60H94Very high96.8Very high134 Ų13446.1 Ų46.162%0.6222%0.217SC*.THydrogen-bonded Turntrans-93.213.4179.7-57.3-57.4000113.4I58 Q107I58-H60 VanDerWaalsContact C-N 3.27Å; I58-H60 PolarHBondContact O-N 2.91Å; H60-Q107 PolarHBondContact CE1-O 3.2Å; H60-Q107 PolarHBondContact ND1-O 3.5Å
61N95.5Very high96.7Very high73 Ų7349.9 Ų49.939%0.3923%0.231SC..  trans-121.890.5178-173-22.6000110.2I58 L59 R63 A64 L65I58-N61 WeakPolarHBondContact O-CA 3.48Å; I58-N61 PolarHBondContact O-N 3.18Å; L59-N61 VanDerWaalsContact C-N 3.32Å; N61-R63 PolarHBondContact O-N 3.32Å; N61-R63 VanDerWaalsContact O-N 3.11Å; N61-R63 PolarHBondContact OD1-N 2.98Å; N61-A64 HydrophobicContact CB-CB 3.82Å; N61-A64 WeakPolarHBondContact O-CA 3.49Å; N61-A64 WeakPolarHBondContact O-CB 3.39Å; N61-A64 PolarHBondContact O-N 3.29Å; N61-A64 PolarHBondContact OD1-N 3.16Å; N61-A64 VanDerWaalsContact OD1-N 3.1Å; N61-L65 PolarHBondContact O-N 3.19Å
62P92.3Very high96.7Very high66 Ų6650 Ų5043%0.42923%0.231SC..Hα-helixtrans-56.7-33-176.6-27.735000113.8Q66P62-Q66 WeakPolarHBondContact O-CB 3.47Å; P62-Q66 PolarHBondContact O-N 3.36Å
63R95.6Very high96.6Very high198 Ų19854.1 Ų54.175%0.74725%0.252SS*.Hα-helixtrans-69-39.1176.4-66.7-177.3-179.5177.20.6111.5N61 R67N61-R63 PolarHBondContact O-N 3.32Å; N61-R63 VanDerWaalsContact O-N 3.11Å; N61-R63 PolarHBondContact OD1-N 2.98Å; R63-R67 WeakPolarHBondContact O-CG 3.49Å; R63-R67 PolarHBondContact O-N 2.98Å
64A96.3Very high96.5Very high7 Ų759.6 Ų59.66%0.05828%0.276CS..Hα-helixtrans-69.5-42.4176.700000111.6I58 N61 Q66 R67 F68I58-A64 HydrophobicContact CB-CB 3.77Å; I58-A64 HydrophobicContact CG2-CB 3.92Å; N61-A64 HydrophobicContact CB-CB 3.82Å; N61-A64 WeakPolarHBondContact O-CA 3.49Å; N61-A64 WeakPolarHBondContact O-CB 3.39Å; N61-A64 PolarHBondContact O-N 3.29Å; N61-A64 PolarHBondContact OD1-N 3.16Å; N61-A64 VanDerWaalsContact OD1-N 3.1Å; A64-Q66 VanDerWaalsContact C-N 3.35Å; A64-Q66 PolarHBondContact O-N 3.26Å; A64-R67 PolarHBondContact O-N 2.87Å; A64-F68 PolarHBondContact O-N 3.47Å
65L96.7Very high96.5Very high0 Ų059.7 Ų59.70%028%0.278CS..Hα-helixtrans-58.4-44.7172.2-79.1169.8000112L55 I58 L59 N61 R67 F68 K69 V100 C103 I104L55-L65 HydrophobicContact CD2-CD2 4.34Å; I58-L65 HydrophobicContact CD1-CD2 4.02Å; I58-L65 HydrophobicContact CD1-CG 4.46Å; I58-L65 HydrophobicContact CG1-CD2 3.85Å; I58-L65 HydrophobicContact CG1-CG 4.18Å; L59-L65 WeakPolarHBondContact O-CD1 3.36Å; N61-L65 PolarHBondContact O-N 3.19Å; L65-R67 PolarHBondContact O-N 3.24Å; L65-F68 PolarHBondContact O-N 2.99Å; L65-K69 PolarHBondContact O-N 2.87Å; L65-V100 HydrophobicContact CD2-CG1 4.44Å; L65-C103 HydrophobicContact CD1-CB 4.32Å; L65-C103 HydrophobicContact CD2-CB 4.01Å; L65-I104 HydrophobicContact CB-CD1 4.26Å; L65-I104 HydrophobicContact CB-CG1 3.74Å; L65-I104 HydrophobicContact CD1-CG1 3.92Å; L65-I104 HydrophobicContact CG-CG1 4.36Å
66Q96.8Very high96.4Very high82 Ų8259.9 Ų59.938%0.38328%0.281SS..Hα-helixtrans-62.7-42.8176.7-172.460.552.900111.8P62 A64 F68 K69 D70P62-Q66 WeakPolarHBondContact O-CB 3.47Å; P62-Q66 PolarHBondContact O-N 3.36Å; A64-Q66 VanDerWaalsContact C-N 3.35Å; A64-Q66 PolarHBondContact O-N 3.26Å; Q66-F68 VanDerWaalsContact C-N 3.32Å; Q66-F68 PolarHBondContact O-N 3.33Å; Q66-K69 WeakPolarHBondContact O-CB 3.4Å; Q66-K69 PolarHBondContact O-N 3.02Å; Q66-D70 PolarHBondContact NE2-OD1 3.43Å; Q66-D70 PolarHBondContact O-N 3.4Å
67R96.9Very high96.4Very high134 Ų13466.5 Ų66.551%0.50631%0.31SS..Hα-helixtrans-61.1-40.9174.4-74.5-171.5-56.5-105.53.8112.3R63 A64 L65 D70 R71R63-R67 WeakPolarHBondContact O-CG 3.49Å; R63-R67 PolarHBondContact O-N 2.98Å; A64-R67 PolarHBondContact O-N 2.87Å; L65-R67 PolarHBondContact O-N 3.24Å; R67-D70 PolarHBondContact O-N 3.4Å; R67-R71 WeakPolarHBondContact O-CG 3.46Å; R67-R71 PolarHBondContact O-N 3.39Å
68F97.1Very high96.4Very high5 Ų564.5 Ų64.52%0.02230%0.301CS..Hα-helixtrans-63.1-44.6175.2-177.5-94.4000111H54 L55 I58 A64 L65 Q66 D70 R71 V72 V96 V100 L180H54-F68 AromaticContact CD2-CD2 3.54Å; H54-F68 AromaticContact CD2-CE2 3.59Å; H54-F68 AromaticContact NE2-CD2 3.51Å; L55-F68 HydrophobicContact CD2-CD1 3.8Å; L55-F68 HydrophobicContact CD2-CE1 3.69Å; L55-F68 HydrophobicContact CD2-CG 4.45Å; L55-F68 HydrophobicContact CD2-CZ 4.26Å; L55-F68 HydrophobicContact CG-CE1 4.48Å; I58-F68 HydrophobicContact CD1-CB 3.76Å; I58-F68 HydrophobicContact CD1-CG 4.17Å; A64-F68 PolarHBondContact O-N 3.47Å; L65-F68 PolarHBondContact O-N 2.99Å; Q66-F68 VanDerWaalsContact C-N 3.32Å; Q66-F68 PolarHBondContact O-N 3.33Å; F68-D70 PolarHBondContact O-N 2.93Å; F68-R71 WeakPolarHBondContact O-CB 3.22Å; F68-R71 PolarHBondContact O-N 2.99Å; F68-V72 HydrophobicContact CD1-CG2 4.07Å; F68-V72 HydrophobicContact CE1-CG2 3.65Å; F68-V72 HydrophobicContact CZ-CG2 3.98Å; F68-V72 WeakPolarHBondContact O-CG2 3.37Å; F68-V72 PolarHBondContact O-N 2.6Å; F68-V96 HydrophobicContact CE1-CG1 4.29Å; F68-V100 HydrophobicContact CD1-CG1 4.44Å; F68-V100 HydrophobicContact CD1-CG2 3.49Å; F68-V100 VanDerWaalsContact CD1-CG2 3.49Å; F68-V100 HydrophobicContact CE1-CG2 3.52Å; F68-L180 HydrophobicContact CE2-CD2 4.46Å
69K97.8Very high96.5Very high40 Ų4063.8 Ų63.817%0.17430%0.297CS..Hα-helixtrans-55.6-48.8173.9-167.8177.8-179.6173.40111.9L65 Q66 R71 V72 I73 L97 V100 D101 I104L65-K69 PolarHBondContact O-N 2.87Å; Q66-K69 WeakPolarHBondContact O-CB 3.4Å; Q66-K69 PolarHBondContact O-N 3.02Å; K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 2.95Å; K69-V72 PolarHBondContact O-N 3.19Å; K69-V72 VanDerWaalsContact O-N 3.17Å; K69-I73 HydrophobicContact CG-CD1 4.35Å; K69-I73 WeakPolarHBondContact O-CG1 3.42Å; K69-I73 PolarHBondContact O-N 2.55Å; K69-L97 HydrophobicContact CG-CD2 3.71Å; K69-V100 HydrophobicContact CB-CG1 3.85Å; K69-V100 HydrophobicContact CG-CG1 4.3Å; K69-D101 WeakPolarHBondContact CE-OD1 3.37Å; K69-D101 IonicContact NZ-OD1 2.78Å; K69-D101 PolarHBondContact NZ-OD1 3.03Å; K69-D101 IonicContact NZ-OD2 3.17Å; K69-D101 PolarHBondContact NZ-OD2 3.31Å; K69-I104 HydrophobicContact CD-CD1 4.4Å
70D97.4Very high96.6Very high63 Ų6367.9 Ų67.934%0.33732%0.318SS..Hα-helixtrans-62.2-38.1-179.6-63.6-19.3000111.4Q66 R67 F68 I73 Q74Q66-D70 PolarHBondContact NE2-OD1 3.43Å; Q66-D70 PolarHBondContact O-N 3.4Å; R67-D70 PolarHBondContact O-N 3.4Å; F68-D70 PolarHBondContact O-N 2.93Å; D70-I73 PolarHBondContact O-N 3.26Å; D70-Q74 WeakPolarHBondContact O-CB 3.46Å; D70-Q74 VanDerWaalsContact O-CG 3.22Å; D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 2.91Å
71R96.6Very high96.7Very high79 Ų7965.5 Ų65.530%0.29832%0.317SS..Hα-helixtrans-63.6-44.5173-76.5-170.9-69.1-130.28.7112.5R67 F68 K69 I73 Q74 S75 D181R67-R71 WeakPolarHBondContact O-CG 3.46Å; R67-R71 PolarHBondContact O-N 3.39Å; F68-R71 WeakPolarHBondContact O-CB 3.22Å; F68-R71 PolarHBondContact O-N 2.99Å; K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 2.95Å; R71-I73 VanDerWaalsContact C-N 3.28Å; R71-I73 PolarHBondContact O-N 3.45Å; R71-Q74 PolarHBondContact O-N 3.36Å; R71-S75 WeakPolarHBondContact O-CB 3.47Å; R71-S75 PolarHBondContact O-N 2.92Å; R71-D181 IonicContact NH1-OD2 3.93Å
72V97.7Very high96.7Very high6 Ų663.1 Ų63.14%0.03631%0.307CS..Hα-helixtrans-60.4-38.7175.8174.10000110.9F68 K69 S75 Q93 V96 L97 F128F68-V72 HydrophobicContact CD1-CG2 4.07Å; F68-V72 HydrophobicContact CE1-CG2 3.65Å; F68-V72 HydrophobicContact CZ-CG2 3.98Å; F68-V72 WeakPolarHBondContact O-CG2 3.37Å; F68-V72 PolarHBondContact O-N 2.6Å; K69-V72 PolarHBondContact O-N 3.19Å; K69-V72 VanDerWaalsContact O-N 3.17Å; V72-S75 PolarHBondContact O-OG 3.31Å; V72-Q93 HydrophobicContact CG1-CG 4.02Å; V72-Q93 PolarHBondContact O-NE2 3.4Å; V72-V96 HydrophobicContact CB-CG1 4.42Å; V72-V96 HydrophobicContact CG1-CB 4.03Å; V72-V96 HydrophobicContact CG1-CG1 3.79Å; V72-V96 HydrophobicContact CG2-CG1 3.72Å; V72-L97 HydrophobicContact CB-CD2 3.93Å; V72-L97 HydrophobicContact CG1-CD2 3.63Å; V72-L97 HydrophobicContact CG1-CG 3.87Å; V72-F128 HydrophobicContact CG1-CE1 4.04Å; V72-F128 HydrophobicContact CG1-CZ 4.24Å
73I97.4Very high96.9Very high87 Ų8763 Ų6345%0.44632%0.318SS..Hα-helixtrans-65.8-47.3175-65.4168.8000110.6K69 D70 R71 S75 G76 Q93 L97K69-I73 HydrophobicContact CG-CD1 4.35Å; K69-I73 WeakPolarHBondContact O-CG1 3.42Å; K69-I73 PolarHBondContact O-N 2.55Å; D70-I73 PolarHBondContact O-N 3.26Å; R71-I73 VanDerWaalsContact C-N 3.28Å; R71-I73 PolarHBondContact O-N 3.45Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 3.23Å; I73-G76 PolarHBondContact O-N 3.09Å; I73-Q93 PolarHBondContact O-NE2 3.03Å; I73-L97 HydrophobicContact CD1-CD2 4.41Å; I73-L97 HydrophobicContact CG1-CD1 4.13Å; I73-L97 HydrophobicContact CG1-CD2 3.76Å
74Q96.6Very high97Very high122 Ų12255 Ų5557%0.5729%0.289SS*.Hα-helixtrans-64.7-30.8-178.2-73.3171.418.100112.7D70 R71 G76 K77D70-Q74 WeakPolarHBondContact O-CB 3.46Å; D70-Q74 VanDerWaalsContact O-CG 3.22Å; D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 2.91Å; R71-Q74 PolarHBondContact O-N 3.36Å; Q74-G76 PolarHBondContact O-N 3.16Å; Q74-K77 WeakPolarHBondContact O-CB 3.41Å; Q74-K77 PolarHBondContact O-N 3.4Å
75S96.6Very high97.1Very high13 Ų1362 Ų629%0.09132%0.32CS..Hα-helixtrans-65.3-19.1-179.474.40000113.5R71 V72 I73 K77 V78 L79 F128 L132R71-S75 WeakPolarHBondContact O-CB 3.47Å; R71-S75 PolarHBondContact O-N 2.92Å; V72-S75 PolarHBondContact O-OG 3.31Å; I73-S75 VanDerWaalsContact C-N 3.26Å; I73-S75 PolarHBondContact O-N 3.23Å; S75-K77 VanDerWaalsContact C-N 3.27Å; S75-K77 PolarHBondContact O-N 2.93Å; S75-V78 WeakPolarHBondContact O-CA 3.44Å; S75-V78 WeakPolarHBondContact O-CB 3.45Å; S75-V78 PolarHBondContact O-N 2.98Å; S75-L79 WeakPolarHBondContact O-CG 3.23Å; S75-L79 PolarHBondContact O-N 2.98Å; S75-F128 VanDerWaalsContact OG-CZ 3.32Å; S75-F128 WeakPolarHBondContact OG-CZ 3.31Å; S75-L132 VanDerWaalsContact CB-CD2 3.47Å
76G97.1Very high97.1Very high7 Ų768 Ų687%0.07235%0.349CS..Hα-helixtrans-59.1-37.8169.300000112.7I73 Q74 V78 L79 I80 F89I73-G76 PolarHBondContact O-N 3.09Å; Q74-G76 PolarHBondContact O-N 3.16Å; G76-V78 VanDerWaalsContact C-N 3.34Å; G76-L79 PolarHBondContact O-N 2.85Å; G76-I80 WeakPolarHBondContact O-CD1 3.23Å; G76-I80 WeakPolarHBondContact O-CG1 3.34Å; G76-I80 PolarHBondContact O-N 3.33Å; G76-F89 WeakPolarHBondContact O-CZ 3.35Å
77K97Very high97.1Very high166 Ų16668 Ų6872%0.72236%0.362SS*.Hα-helixtrans-68.8-35.2174.2-64.3-179.6-179.8176.90112Q74 S75 I80 S81Q74-K77 WeakPolarHBondContact O-CB 3.41Å; Q74-K77 PolarHBondContact O-N 3.4Å; S75-K77 VanDerWaalsContact C-N 3.27Å; S75-K77 PolarHBondContact O-N 2.93Å; K77-I80 PolarHBondContact O-N 2.85Å; K77-S81 WeakPolarHBondContact O-CB 3.15Å; K77-S81 PolarHBondContact O-N 3.26Å; K77-S81 PolarHBondContact O-OG 3.23Å
78V96.7Very high97Very high57 Ų5764.6 Ų64.635%0.34536%0.359SS..Hα-helixtrans-63.8-48.3176.71800000109.6S75 G76 I80 S81 A82 A135 I139S75-V78 WeakPolarHBondContact O-CA 3.44Å; S75-V78 WeakPolarHBondContact O-CB 3.45Å; S75-V78 PolarHBondContact O-N 2.98Å; G76-V78 VanDerWaalsContact C-N 3.34Å; V78-I80 PolarHBondContact O-N 3.45Å; V78-S81 WeakPolarHBondContact CA-OG 3.43Å; V78-S81 PolarHBondContact O-N 2.97Å; V78-S81 VanDerWaalsContact O-N 3.16Å; V78-S81 PolarHBondContact O-OG 3.06Å; V78-A82 PolarHBondContact O-N 2.91Å; V78-A135 HydrophobicContact CG1-CB 4.42Å; V78-I139 HydrophobicContact CG1-CD1 3.43Å; V78-I139 VanDerWaalsContact CG1-CD1 3.43Å
79L98.3Very high97.1Very high0 Ų064.4 Ų64.40%036%0.358CS..Hα-helixtrans-57.5-47.5175.1-70.4167.8000111.8S75 G76 S81 A82 G83 F84 F89 F128 L131 L132 A135S75-L79 WeakPolarHBondContact O-CG 3.23Å; S75-L79 PolarHBondContact O-N 2.98Å; G76-L79 PolarHBondContact O-N 2.85Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.12Å; L79-A82 PolarHBondContact O-N 3.47Å; L79-A82 VanDerWaalsContact O-N 3.16Å; L79-G83 PolarHBondContact O-N 2.9Å; L79-F84 HydrophobicContact CB-CB 4.23Å; L79-F84 HydrophobicContact CB-CD2 4.35Å; L79-F84 HydrophobicContact CD2-CD2 3.9Å; L79-F84 HydrophobicContact CD2-CE2 4.24Å; L79-F84 HydrophobicContact CD2-CG 4.33Å; L79-F84 WeakPolarHBondContact O-CB 3.4Å; L79-F84 WeakPolarHBondContact O-CD2 3.45Å; L79-F84 PolarHBondContact O-N 3.03Å; L79-F89 HydrophobicContact CB-CD1 3.91Å; L79-F89 HydrophobicContact CB-CE1 3.59Å; L79-F89 HydrophobicContact CB-CE2 4.41Å; L79-F89 HydrophobicContact CB-CG 4.43Å; L79-F89 HydrophobicContact CB-CZ 3.89Å; L79-F89 HydrophobicContact CD1-CB 4.04Å; L79-F89 HydrophobicContact CD1-CD1 3.91Å; L79-F89 HydrophobicContact CD1-CD2 3.57Å; L79-F89 HydrophobicContact CD1-CE1 4.22Å; L79-F89 HydrophobicContact CD1-CE2 3.95Å; L79-F89 HydrophobicContact CD1-CG 3.57Å; L79-F89 HydrophobicContact CD1-CZ 4.25Å; L79-F89 HydrophobicContact CG-CD1 4.47Å; L79-F128 HydrophobicContact CD1-CE2 3.75Å; L79-F128 HydrophobicContact CD1-CZ 4.35Å; L79-L131 HydrophobicContact CD2-CB 3.8Å; L79-L131 WeakPolarHBondContact CD2-O 3.4Å; L79-L132 HydrophobicContact CD1-CD2 3.97Å; L79-L132 HydrophobicContact CD2-CD2 4.08Å; L79-L132 HydrophobicContact CG-CD2 3.9Å; L79-A135 HydrophobicContact CD2-CB 3.89Å
80I98Very high97.1Very high86 Ų8666 Ų6644%0.44137%0.369SS..Hα-helixtrans-60.5-42.3176.5-68.3162.6000111.3G76 K77 V78 A82 G83 F89G76-I80 WeakPolarHBondContact O-CD1 3.23Å; G76-I80 WeakPolarHBondContact O-CG1 3.34Å; G76-I80 PolarHBondContact O-N 3.33Å; K77-I80 PolarHBondContact O-N 2.85Å; V78-I80 PolarHBondContact O-N 3.45Å; I80-A82 VanDerWaalsContact C-N 3.26Å; I80-A82 PolarHBondContact O-N 3.02Å; I80-G83 PolarHBondContact O-N 2.9Å; I80-F89 HydrophobicContact CD1-CZ 4.22Å; I80-F89 HydrophobicContact CG1-CE1 4.08Å; I80-F89 HydrophobicContact CG1-CZ 3.88Å
81S96.3Very high97.2Very high85 Ų8568.5 Ų68.559%0.59438%0.378SS*.Hα-helixtrans-66.2-27.7178.771.50000113.5K77 V78 L79 G83K77-S81 WeakPolarHBondContact O-CB 3.15Å; K77-S81 PolarHBondContact O-N 3.26Å; K77-S81 PolarHBondContact O-OG 3.23Å; V78-S81 WeakPolarHBondContact CA-OG 3.43Å; V78-S81 PolarHBondContact O-N 2.97Å; V78-S81 VanDerWaalsContact O-N 3.16Å; V78-S81 PolarHBondContact O-OG 3.06Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-S81 PolarHBondContact O-N 3.12Å; S81-G83 PolarHBondContact O-N 3.14Å
82A96.3Very high97.3Very high22 Ų2265.2 Ų65.218%0.18237%0.367CS..THydrogen-bonded Turntrans-81-1171.800000113.2V78 L79 I80 F84 A135 I139V78-A82 PolarHBondContact O-N 2.91Å; L79-A82 PolarHBondContact O-N 3.47Å; L79-A82 VanDerWaalsContact O-N 3.16Å; I80-A82 VanDerWaalsContact C-N 3.26Å; I80-A82 PolarHBondContact O-N 3.02Å; A82-F84 HydrophobicContact CB-CD2 4.01Å; A82-F84 HydrophobicContact CB-CE2 4.06Å; A82-A135 HydrophobicContact CB-CB 3.62Å; A82-I139 HydrophobicContact CB-CD1 4.25Å; A82-I139 HydrophobicContact CB-CG1 4.2Å
83G96.4Very high97.3Very high64 Ų6466.2 Ų66.266%0.6637%0.371SS*.THydrogen-bonded Turntrans9214.617500000115.3L79 I80 S81L79-G83 PolarHBondContact O-N 2.9Å; I80-G83 PolarHBondContact O-N 2.9Å; S81-G83 PolarHBondContact O-N 3.14Å
84F97.8Very high97.4Very high31 Ų3165.2 Ų65.214%0.13637%0.372CS..  trans-77.2140.9170-66-86.3000111L79 A82 F89 L131 S134 A135L79-F84 HydrophobicContact CB-CB 4.23Å; L79-F84 HydrophobicContact CB-CD2 4.35Å; L79-F84 HydrophobicContact CD2-CD2 3.9Å; L79-F84 HydrophobicContact CD2-CE2 4.24Å; L79-F84 HydrophobicContact CD2-CG 4.33Å; L79-F84 WeakPolarHBondContact O-CB 3.4Å; L79-F84 WeakPolarHBondContact O-CD2 3.45Å; L79-F84 PolarHBondContact O-N 3.03Å; A82-F84 HydrophobicContact CB-CD2 4.01Å; A82-F84 HydrophobicContact CB-CE2 4.06Å; F84-F89 HydrophobicContact CB-CD1 4.04Å; F84-F89 HydrophobicContact CB-CE1 4.17Å; F84-L131 HydrophobicContact CD1-CD2 4.34Å; F84-L131 HydrophobicContact CE1-CD2 3.77Å; F84-L131 HydrophobicContact CZ-CD2 4.35Å; F84-S134 WeakPolarHBondContact CZ-OG 3.38Å; F84-A135 HydrophobicContact CD2-CB 4.43Å; F84-A135 HydrophobicContact CE2-CB 3.99Å
85E97.5Very high97.5Very high152 Ų15260.1 Ų60.171%0.7135%0.349SS*.  trans-77.9137.3172.6-64.2-176.9-178.800109.7A87 S88 F89E85-A87 PolarHBondContact O-N 3.13Å; E85-S88 WeakPolarHBondContact O-CB 3.11Å; E85-S88 PolarHBondContact O-N 3.21Å; E85-S88 PolarHBondContact O-OG 3.4Å; E85-F89 VanDerWaalsContact O-CD1 3.29Å; E85-F89 WeakPolarHBondContact O-CD1 3.44Å
86E97.4Very high97.6Very high128 Ų12859.7 Ų59.760%0.59835%0.345SS*.G310 helixtrans-54.5-40.8-178.3-173.5173.3-166.400112.6S88 F89 D90E86-S88 PolarHBondContact O-N 3.07Å; E86-S88 VanDerWaalsContact O-N 3.08Å; E86-F89 HydrophobicContact CB-CE1 4.48Å; E86-F89 HydrophobicContact CB-CZ 4.31Å; E86-F89 HydrophobicContact CG-CZ 4.27Å; E86-F89 PolarHBondContact O-N 3.02Å; E86-F89 VanDerWaalsContact O-N 3.08Å; E86-D90 HydrophobicContact CG-CB 4.47Å; E86-D90 WeakPolarHBondContact O-CB 3.47Å; E86-D90 PolarHBondContact O-N 2.78Å
87A96.6Very high97.6Very high81 Ų8160.8 Ų60.867%0.66935%0.349SS*.G310 helixtrans-63.2-14177.300000114.4E85E85-A87 PolarHBondContact O-N 3.13Å
88S95.7Very high97.7Very high62 Ų6256.8 Ų56.843%0.43433%0.333SS..G310 helixtrans-85.6-15.8176.781.60000113E85 E86E85-S88 WeakPolarHBondContact O-CB 3.11Å; E85-S88 PolarHBondContact O-N 3.21Å; E85-S88 PolarHBondContact O-OG 3.4Å; E86-S88 PolarHBondContact O-N 3.07Å; E86-S88 VanDerWaalsContact O-N 3.08Å
89F98.2Very high97.8Very high1 Ų154.1 Ų54.10%0.00432%0.317CS..THydrogen-bonded Turntrans-134.4-10.4-174.969.1-103.6000115G76 L79 I80 F84 E85 E86 H91 L92 Q93 L131G76-F89 WeakPolarHBondContact O-CZ 3.35Å; L79-F89 HydrophobicContact CB-CD1 3.91Å; L79-F89 HydrophobicContact CB-CE1 3.59Å; L79-F89 HydrophobicContact CB-CE2 4.41Å; L79-F89 HydrophobicContact CB-CG 4.43Å; L79-F89 HydrophobicContact CB-CZ 3.89Å; L79-F89 HydrophobicContact CD1-CB 4.04Å; L79-F89 HydrophobicContact CD1-CD1 3.91Å; L79-F89 HydrophobicContact CD1-CD2 3.57Å; L79-F89 HydrophobicContact CD1-CE1 4.22Å; L79-F89 HydrophobicContact CD1-CE2 3.95Å; L79-F89 HydrophobicContact CD1-CG 3.57Å; L79-F89 HydrophobicContact CD1-CZ 4.25Å; L79-F89 HydrophobicContact CG-CD1 4.47Å; I80-F89 HydrophobicContact CD1-CZ 4.22Å; I80-F89 HydrophobicContact CG1-CE1 4.08Å; I80-F89 HydrophobicContact CG1-CZ 3.88Å; F84-F89 HydrophobicContact CB-CD1 4.04Å; F84-F89 HydrophobicContact CB-CE1 4.17Å; E85-F89 VanDerWaalsContact O-CD1 3.29Å; E85-F89 WeakPolarHBondContact O-CD1 3.44Å; E86-F89 HydrophobicContact CB-CE1 4.48Å; E86-F89 HydrophobicContact CB-CZ 4.31Å; E86-F89 HydrophobicContact CG-CZ 4.27Å; E86-F89 PolarHBondContact O-N 3.02Å; E86-F89 VanDerWaalsContact O-N 3.08Å; F89-H91 VanDerWaalsContact C-N 3.32Å; F89-H91 PolarHBondContact O-N 2.95Å; F89-L92 WeakPolarHBondContact O-CB 3.44Å; F89-L92 PolarHBondContact O-N 3.14Å; F89-Q93 HydrophobicContact CD2-CB 4.43Å; F89-Q93 WeakPolarHBondContact O-CB 3.3Å; F89-Q93 PolarHBondContact O-N 3.03Å; F89-L131 HydrophobicContact CB-CD1 3.81Å
90D98.1Very high97.8Very high74 Ų7454.1 Ų54.140%0.39632%0.317SS..Hα-helixtrans-53.4-44.5-176.667.6-21.2000113.4E86 S94E86-D90 HydrophobicContact CG-CB 4.47Å; E86-D90 WeakPolarHBondContact O-CB 3.47Å; E86-D90 PolarHBondContact O-N 2.78Å; D90-S94 VanDerWaalsContact O-CB 3.28Å; D90-S94 WeakPolarHBondContact O-CB 3.48Å; D90-S94 PolarHBondContact O-N 2.89Å; D90-S94 PolarHBondContact O-OG 3.48Å
91H98.4Very high97.8Very high115 Ų11553 Ų5353%0.53231%0.312SS..Hα-helixtrans-69.3-38.4178.1-179.759.2000111.8F89 S94 T95F89-H91 VanDerWaalsContact C-N 3.32Å; F89-H91 PolarHBondContact O-N 2.95Å; H91-S94 PolarHBondContact O-N 3.42Å; H91-T95 WeakPolarHBondContact O-CB 3.07Å; H91-T95 PolarHBondContact O-N 3.24Å; H91-T95 PolarHBondContact O-OG1 3.23Å
92L98.6Very high97.8Very high11 Ų1152.1 Ų52.16%0.05830%0.299CS..Hα-helixtrans-65.8-46.9177.9-55.7-179.8000110.3F89 S94 T95 V96 Q127 F128 L131F89-L92 WeakPolarHBondContact O-CB 3.44Å; F89-L92 PolarHBondContact O-N 3.14Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 3.4Å; L92-T95 WeakPolarHBondContact O-CB 3.09Å; L92-T95 PolarHBondContact O-N 3.4Å; L92-T95 VanDerWaalsContact O-N 3.15Å; L92-V96 PolarHBondContact O-N 3.24Å; L92-V96 VanDerWaalsContact O-N 3.08Å; L92-Q127 HydrophobicContact CD1-CB 4.09Å; L92-Q127 HydrophobicContact CD1-CG 3.74Å; L92-Q127 HydrophobicContact CD2-CB 4.31Å; L92-F128 HydrophobicContact CB-CB 3.94Å; L92-F128 HydrophobicContact CB-CD2 3.94Å; L92-F128 HydrophobicContact CB-CG 4.38Å; L92-L131 HydrophobicContact CD1-CD1 3.84Å
93Q98.5Very high97.8Very high27 Ų2751.1 Ų51.113%0.12629%0.29CS..Hα-helixtrans-59.5-46.5174.6-169.5-178.341.500111.1V72 I73 F89 T95 V96 L97 F128V72-Q93 HydrophobicContact CG1-CG 4.02Å; V72-Q93 PolarHBondContact O-NE2 3.4Å; I73-Q93 PolarHBondContact O-NE2 3.03Å; F89-Q93 HydrophobicContact CD2-CB 4.43Å; F89-Q93 WeakPolarHBondContact O-CB 3.3Å; F89-Q93 PolarHBondContact O-N 3.03Å; Q93-T95 PolarHBondContact O-N 3.41Å; Q93-V96 PolarHBondContact O-N 2.91Å; Q93-L97 HydrophobicContact CG-CD1 4.37Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.46Å; Q93-F128 HydrophobicContact CB-CD2 4.13Å; Q93-F128 HydrophobicContact CB-CE2 3.51Å; Q93-F128 HydrophobicContact CB-CZ 3.97Å; Q93-F128 HydrophobicContact CG-CE2 3.86Å; Q93-F128 HydrophobicContact CG-CZ 3.79Å
94S98.6Very high97.7Very high66 Ų6650.3 Ų50.346%0.46227%0.27SS..Hα-helixtrans-59.4-35.6177-63.40000112.2D90 H91 L92 L97 H98D90-S94 VanDerWaalsContact O-CB 3.28Å; D90-S94 WeakPolarHBondContact O-CB 3.48Å; D90-S94 PolarHBondContact O-N 2.89Å; D90-S94 PolarHBondContact O-OG 3.48Å; H91-S94 PolarHBondContact O-N 3.42Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 3.4Å; S94-L97 PolarHBondContact O-N 3.38Å; S94-H98 WeakPolarHBondContact O-CB 3.39Å; S94-H98 PolarHBondContact O-N 3.16Å
95T98.8Very high97.6Very high15 Ų1552.8 Ų52.89%0.09230%0.296CS..Hα-helixtrans-68-43.3176.5-59.10000111.7H91 L92 Q93 L97 H98 V99 I121H91-T95 WeakPolarHBondContact O-CB 3.07Å; H91-T95 PolarHBondContact O-N 3.24Å; H91-T95 PolarHBondContact O-OG1 3.23Å; L92-T95 WeakPolarHBondContact O-CB 3.09Å; L92-T95 PolarHBondContact O-N 3.4Å; L92-T95 VanDerWaalsContact O-N 3.15Å; Q93-T95 PolarHBondContact O-N 3.41Å; T95-L97 VanDerWaalsContact C-N 3.34Å; T95-L97 PolarHBondContact O-N 2.9Å; T95-H98 WeakPolarHBondContact O-CB 3.36Å; T95-H98 PolarHBondContact O-N 2.87Å; T95-V99 WeakPolarHBondContact O-CG2 3.2Å; T95-V99 PolarHBondContact O-N 3.38Å; T95-I121 HydrophobicContact CG2-CB 4.43Å; T95-I121 HydrophobicContact CG2-CG2 4.02Å
96V98.6Very high97.3Very high3 Ų347.8 Ų47.82%0.01828%0.281CS..Hα-helixtrans-61.9-44.1173.7-179.90000110.8F68 V72 L92 Q93 H98 V99 V100 V125 F128F68-V96 HydrophobicContact CE1-CG1 4.29Å; V72-V96 HydrophobicContact CB-CG1 4.42Å; V72-V96 HydrophobicContact CG1-CB 4.03Å; V72-V96 HydrophobicContact CG1-CG1 3.79Å; V72-V96 HydrophobicContact CG2-CG1 3.72Å; L92-V96 PolarHBondContact O-N 3.24Å; L92-V96 VanDerWaalsContact O-N 3.08Å; Q93-V96 PolarHBondContact O-N 2.91Å; V96-H98 VanDerWaalsContact C-N 3.3Å; V96-H98 PolarHBondContact O-N 3.2Å; V96-V99 PolarHBondContact O-N 3.44Å; V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 2.94Å; V96-V125 HydrophobicContact CG2-CB 4.39Å; V96-V125 HydrophobicContact CG2-CG1 4.38Å; V96-V125 HydrophobicContact CG2-CG2 4.08Å; V96-F128 HydrophobicContact CB-CD1 4.4Å; V96-F128 HydrophobicContact CG2-CB 3.93Å; V96-F128 HydrophobicContact CG2-CD1 3.61Å; V96-F128 HydrophobicContact CG2-CE1 4.3Å; V96-F128 HydrophobicContact CG2-CG 3.91Å
97L98.6Very high96.9Very high30 Ų3045.5 Ų45.516%0.15727%0.27CS..Hα-helixtrans-61.2-39.8176.4-67.2173.9000112K69 V72 I73 Q93 S94 T95 V100 D101K69-L97 HydrophobicContact CG-CD2 3.71Å; V72-L97 HydrophobicContact CB-CD2 3.93Å; V72-L97 HydrophobicContact CG1-CD2 3.63Å; V72-L97 HydrophobicContact CG1-CG 3.87Å; I73-L97 HydrophobicContact CD1-CD2 4.41Å; I73-L97 HydrophobicContact CG1-CD1 4.13Å; I73-L97 HydrophobicContact CG1-CD2 3.76Å; Q93-L97 HydrophobicContact CG-CD1 4.37Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.46Å; S94-L97 PolarHBondContact O-N 3.38Å; T95-L97 VanDerWaalsContact C-N 3.34Å; T95-L97 PolarHBondContact O-N 2.9Å; L97-V100 PolarHBondContact O-N 3.44Å; L97-D101 WeakPolarHBondContact O-CB 3.32Å; L97-D101 PolarHBondContact O-N 2.85Å
98H98.5Very high96.7Very high83 Ų8346.2 Ų46.238%0.38426%0.26SS..Hα-helixtrans-58.7-47.8174.2174.872.6000111.6S94 T95 V96 V100 D101 Q102S94-H98 WeakPolarHBondContact O-CB 3.39Å; S94-H98 PolarHBondContact O-N 3.16Å; T95-H98 WeakPolarHBondContact O-CB 3.36Å; T95-H98 PolarHBondContact O-N 2.87Å; V96-H98 VanDerWaalsContact C-N 3.3Å; V96-H98 PolarHBondContact O-N 3.2Å; H98-V100 VanDerWaalsContact C-N 3.33Å; H98-V100 PolarHBondContact O-N 3.35Å; H98-D101 PolarHBondContact O-N 2.96Å; H98-Q102 WeakPolarHBondContact O-CG 3.26Å; H98-Q102 PolarHBondContact O-N 3.38Å
99V98.4Very high96.5Very high1 Ų146.2 Ų46.21%0.00625%0.253CS..Hα-helixtrans-58.3-46.2177.2172.40000111.2L55 T95 V96 D101 Q102 C103 L112 L115 F116 I121 V125L55-V99 HydrophobicContact CD1-CG1 3.94Å; T95-V99 WeakPolarHBondContact O-CG2 3.2Å; T95-V99 PolarHBondContact O-N 3.38Å; V96-V99 PolarHBondContact O-N 3.44Å; V99-D101 VanDerWaalsContact C-N 3.35Å; V99-D101 PolarHBondContact O-N 3.17Å; V99-Q102 PolarHBondContact O-N 2.86Å; V99-C103 PolarHBondContact O-N 3.23Å; V99-C103 PolarHBondContact O-SG 3.08Å; V99-L112 HydrophobicContact CG1-CD1 4.13Å; V99-L115 HydrophobicContact CG1-CD1 4.35Å; V99-L115 HydrophobicContact CG2-CB 4.46Å; V99-L115 HydrophobicContact CG2-CD1 4.43Å; V99-F116 HydrophobicContact CG1-CE2 4.03Å; V99-I121 HydrophobicContact CG2-CG2 3.55Å; V99-V125 HydrophobicContact CG2-CG2 4.18Å
100V97.8Very high96.4Very high0 Ų050.9 Ų50.90%028%0.278CS..Hα-helixtrans-64-40.3179.1179.50000111.4L55 L65 F68 K69 V96 L97 H98 C103 I104L55-V100 HydrophobicContact CD2-CG2 4.12Å; L65-V100 HydrophobicContact CD2-CG1 4.44Å; F68-V100 HydrophobicContact CD1-CG1 4.44Å; F68-V100 HydrophobicContact CD1-CG2 3.49Å; F68-V100 VanDerWaalsContact CD1-CG2 3.49Å; F68-V100 HydrophobicContact CE1-CG2 3.52Å; K69-V100 HydrophobicContact CB-CG1 3.85Å; K69-V100 HydrophobicContact CG-CG1 4.3Å; V96-V100 WeakPolarHBondContact O-CG2 3.49Å; V96-V100 PolarHBondContact O-N 2.94Å; L97-V100 PolarHBondContact O-N 3.44Å; H98-V100 VanDerWaalsContact C-N 3.33Å; H98-V100 PolarHBondContact O-N 3.35Å; V100-C103 WeakPolarHBondContact O-CB 3.22Å; V100-C103 PolarHBondContact O-N 3.19Å; V100-I104 HydrophobicContact CG1-CD1 4.02Å; V100-I104 HydrophobicContact CG1-CG1 4.47Å; V100-I104 WeakPolarHBondContact O-CG1 3.47Å; V100-I104 PolarHBondContact O-N 3.36Å
101D97.9Very high96.3Very high63 Ų6348.3 Ų48.334%0.33726%0.264SS..Hα-helixtrans-65.3-38.8177.6-80.6-25.3000112.7K69 L97 H98 V99 C103 I104 A105K69-D101 WeakPolarHBondContact CE-OD1 3.37Å; K69-D101 IonicContact NZ-OD1 2.78Å; K69-D101 PolarHBondContact NZ-OD1 3.03Å; K69-D101 IonicContact NZ-OD2 3.17Å; K69-D101 PolarHBondContact NZ-OD2 3.31Å; L97-D101 WeakPolarHBondContact O-CB 3.32Å; L97-D101 PolarHBondContact O-N 2.85Å; H98-D101 PolarHBondContact O-N 2.96Å; V99-D101 VanDerWaalsContact C-N 3.35Å; V99-D101 PolarHBondContact O-N 3.17Å; D101-C103 VanDerWaalsContact C-N 3.33Å; D101-I104 PolarHBondContact O-N 3.17Å; D101-A105 WeakPolarHBondContact O-CB 3.38Å; D101-A105 PolarHBondContact O-N 3.2Å
102Q97.7Very high96.3Very high66 Ų6642.8 Ų42.831%0.30824%0.239SC..Hα-helixtrans-64.1-39.1172.1-66.2-56.4-58.700111.7H98 V99 A105 A106 V111 L115H98-Q102 WeakPolarHBondContact O-CG 3.26Å; H98-Q102 PolarHBondContact O-N 3.38Å; V99-Q102 PolarHBondContact O-N 2.86Å; Q102-A105 PolarHBondContact O-N 3.28Å; Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 2.99Å; Q102-V111 HydrophobicContact CB-CG1 3.85Å; Q102-L115 HydrophobicContact CB-CD1 3.65Å; Q102-L115 HydrophobicContact CG-CD1 3.97Å
103C96.2Very high96.3Very high0 Ų043.3 Ų43.30%024%0.242CC..Hα-helixtrans-63.9-42.9175.3-66.90000112L59 L65 V99 V100 D101 A105 Q107L59-C103 HydrophobicContact CD1-CB 3.7Å; L65-C103 HydrophobicContact CD1-CB 4.32Å; L65-C103 HydrophobicContact CD2-CB 4.01Å; V99-C103 PolarHBondContact O-N 3.23Å; V99-C103 PolarHBondContact O-SG 3.08Å; V100-C103 WeakPolarHBondContact O-CB 3.22Å; V100-C103 PolarHBondContact O-N 3.19Å; D101-C103 VanDerWaalsContact C-N 3.33Å; C103-A105 VanDerWaalsContact C-N 3.35Å; C103-A105 PolarHBondContact O-N 2.84Å; C103-Q107 VanDerWaalsContact O-CA 3.32Å; C103-Q107 WeakPolarHBondContact O-CA 3.47Å; C103-Q107 PolarHBondContact O-N 2.88Å
104I94.6Very high96.2Very high47 Ų4747.9 Ų47.924%0.24126%0.258CS..Hα-helixtrans-62.9-42.3176.7-70.2168.5000111.2L65 K69 V100 D101 Q107L65-I104 HydrophobicContact CB-CD1 4.26Å; L65-I104 HydrophobicContact CB-CG1 3.74Å; L65-I104 HydrophobicContact CD1-CG1 3.92Å; L65-I104 HydrophobicContact CG-CG1 4.36Å; K69-I104 HydrophobicContact CD-CD1 4.4Å; V100-I104 HydrophobicContact CG1-CD1 4.02Å; V100-I104 HydrophobicContact CG1-CG1 4.47Å; V100-I104 WeakPolarHBondContact O-CG1 3.47Å; V100-I104 PolarHBondContact O-N 3.36Å; D101-I104 PolarHBondContact O-N 3.17Å; I104-Q107 PolarHBondContact O-NE2 2.93Å
105A94.7Very high96.2Very high83 Ų8344.9 Ų44.969%0.68624%0.237SC*.Hα-helixtrans-71.8-42.7-17700000112.9D101 Q102 C103D101-A105 WeakPolarHBondContact O-CB 3.38Å; D101-A105 PolarHBondContact O-N 3.2Å; Q102-A105 PolarHBondContact O-N 3.28Å; C103-A105 VanDerWaalsContact C-N 3.35Å; C103-A105 PolarHBondContact O-N 2.84Å
106A92.5Very high96.2Very high47 Ų4744.2 Ų44.239%0.38823%0.233SC..Hα-helixtrans-93.6-37-17400000113.9Q102 H108 V111Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 2.99Å; A106-H108 HydrophobicContact CB-CB 4.45Å; A106-H108 PolarHBondContact O-N 3.07Å; A106-H108 VanDerWaalsContact O-N 3.16Å; A106-V111 HydrophobicContact CB-CB 4.05Å; A106-V111 HydrophobicContact CB-CG1 4.22Å; A106-V111 HydrophobicContact CB-CG2 3.58Å
107Q87.8Confident96.2Very high80 Ų8046.5 Ų46.537%0.37425%0.245SC..  trans48.536.9-172.1-60.3177.220.400113H60 C103 I104H60-Q107 PolarHBondContact CE1-O 3.2Å; H60-Q107 PolarHBondContact ND1-O 3.5Å; C103-Q107 VanDerWaalsContact O-CA 3.32Å; C103-Q107 WeakPolarHBondContact O-CA 3.47Å; C103-Q107 PolarHBondContact O-N 2.88Å; I104-Q107 PolarHBondContact O-NE2 2.93Å
108H91.9Very high96.2Very high97 Ų9749 Ų4945%0.44926%0.255SS..  trans-132.4131.7-175.4-161.3-68.3000110.5A106 D110 V111A106-H108 HydrophobicContact CB-CB 4.45Å; A106-H108 PolarHBondContact O-N 3.07Å; A106-H108 VanDerWaalsContact O-N 3.16Å; H108-D110 VanDerWaalsContact C-N 3.33Å; H108-D110 IonicContact CE1-OD1 2.55Å; H108-D110 IonicContact CE1-OD2 2.78Å; H108-D110 PolarHBondContact CE1-OD2 3.11Å; H108-D110 WeakPolarHBondContact ND1-CB 3.41Å; H108-D110 PolarHBondContact ND1-N 3.45Å; H108-D110 IonicContact ND1-OD1 3.85Å; H108-D110 IonicContact ND1-OD2 3.72Å; H108-D110 PolarHBondContact O-N 3.43Å; H108-V111 WeakPolarHBondContact O-CB 3.44Å; H108-V111 PolarHBondContact O-N 3.37Å; H108-V111 VanDerWaalsContact O-N 3.08Å
109E92.8Very high96.1Very high61 Ų6149.6 Ų49.629%0.28526%0.259SS..Hα-helixtrans-60.7-40.4-172.7-168-178.8126.300112.3R37 L59 V111 L112 L113R37-E109 IonicContact CZ-OE1 3.8Å; R37-E109 IonicContact NH2-OE1 3.31Å; R37-E109 PolarHBondContact NH2-OE1 2.59Å; L59-E109 HydrophobicContact CD2-CB 4.15Å; E109-V111 PolarHBondContact O-N 3.48Å; E109-V111 VanDerWaalsContact O-N 3.07Å; E109-L112 WeakPolarHBondContact O-CB 3.39Å; E109-L112 PolarHBondContact O-N 3.29Å; E109-L113 PolarHBondContact O-N 3.45Å
110D95.1Very high96.1Very high100 Ų10056 Ų5654%0.53529%0.291SS..Hα-helixtrans-52.3-31.3174.7-62.8-4.5000114.3H108 R114H108-D110 VanDerWaalsContact C-N 3.33Å; H108-D110 IonicContact CE1-OD1 2.55Å; H108-D110 IonicContact CE1-OD2 2.78Å; H108-D110 PolarHBondContact CE1-OD2 3.11Å; H108-D110 WeakPolarHBondContact ND1-CB 3.41Å; H108-D110 PolarHBondContact ND1-N 3.45Å; H108-D110 IonicContact ND1-OD1 3.85Å; H108-D110 IonicContact ND1-OD2 3.72Å; H108-D110 PolarHBondContact O-N 3.43Å; D110-R114 VanDerWaalsContact O-CB 3.25Å; D110-R114 WeakPolarHBondContact O-CB 3.38Å; D110-R114 PolarHBondContact O-N 3.29Å
111V96.8Very high96.1Very high19 Ų1957.1 Ų57.112%0.11530%0.297CS..Hα-helixtrans-71.7-46.1176.8171.20000110.6Q102 A106 H108 E109 L113 R114 L115Q102-V111 HydrophobicContact CB-CG1 3.85Å; A106-V111 HydrophobicContact CB-CB 4.05Å; A106-V111 HydrophobicContact CB-CG1 4.22Å; A106-V111 HydrophobicContact CB-CG2 3.58Å; H108-V111 WeakPolarHBondContact O-CB 3.44Å; H108-V111 PolarHBondContact O-N 3.37Å; H108-V111 VanDerWaalsContact O-N 3.08Å; E109-V111 PolarHBondContact O-N 3.48Å; E109-V111 VanDerWaalsContact O-N 3.07Å; V111-L113 VanDerWaalsContact C-N 3.34Å; V111-R114 PolarHBondContact O-N 3.48Å; V111-L115 HydrophobicContact CG1-CD1 3.96Å; V111-L115 WeakPolarHBondContact O-CD1 3.39Å; V111-L115 VanDerWaalsContact O-CG 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.44Å; V111-L115 PolarHBondContact O-N 3.45Å; V111-L115 VanDerWaalsContact O-N 3.09Å
112L97.9Very high96.2Very high0 Ų054.1 Ų54.10%028%0.281CS..Hα-helixtrans-61.1-46.2175.3178.664.3000110.6F52 L55 E56 V99 E109 R114 L115 F116F52-L112 HydrophobicContact CD2-CD2 4.23Å; F52-L112 HydrophobicContact CD2-CG 4Å; F52-L112 HydrophobicContact CE2-CD2 4.02Å; F52-L112 HydrophobicContact CE2-CG 3.74Å; F52-L112 HydrophobicContact CZ-CD2 4.25Å; F52-L112 HydrophobicContact CZ-CG 4.38Å; L55-L112 HydrophobicContact CB-CD1 3.95Å; L55-L112 HydrophobicContact CB-CD2 3.92Å; L55-L112 HydrophobicContact CD1-CD1 3.86Å; E56-L112 HydrophobicContact CB-CD2 3.92Å; V99-L112 HydrophobicContact CG1-CD1 4.13Å; E109-L112 WeakPolarHBondContact O-CB 3.39Å; E109-L112 PolarHBondContact O-N 3.29Å; L112-R114 PolarHBondContact O-N 3.26Å; L112-L115 PolarHBondContact O-N 3.4Å; L112-F116 HydrophobicContact CD1-CD2 3.62Å; L112-F116 HydrophobicContact CD1-CE2 3.52Å; L112-F116 HydrophobicContact CG-CD2 4.32Å; L112-F116 PolarHBondContact O-N 2.72Å
113L98.1Very high96.2Very high21 Ų2153 Ų5311%0.1128%0.277CS..Hα-helixtrans-61-44.5178.8-173.259.2000112.5V7 F52 E109 V111 N117V7-L113 HydrophobicContact CB-CD1 4.18Å; V7-L113 HydrophobicContact CG1-CD1 4.12Å; V7-L113 WeakPolarHBondContact O-CD1 3.32Å; F52-L113 HydrophobicContact CE2-CB 4.45Å; F52-L113 HydrophobicContact CE2-CD1 4.05Å; F52-L113 HydrophobicContact CZ-CD1 4.1Å; E109-L113 PolarHBondContact O-N 3.45Å; V111-L113 VanDerWaalsContact C-N 3.34Å; L113-N117 WeakPolarHBondContact CD1-ND2 3.49Å; L113-N117 WeakPolarHBondContact O-CB 3.47Å; L113-N117 PolarHBondContact O-N 3.48Å; L113-N117 VanDerWaalsContact O-N 3.13Å; L113-N117 PolarHBondContact O-ND2 3.01Å
114R98Very high96.4Very high123 Ų12353.5 Ų53.546%0.46428%0.281SS..Hα-helixtrans-60.2-50.1176.1-177.5-174.764.5-113.8-0.6111D110 V111 L112 F116 N117 E118D110-R114 VanDerWaalsContact O-CB 3.25Å; D110-R114 WeakPolarHBondContact O-CB 3.38Å; D110-R114 PolarHBondContact O-N 3.29Å; V111-R114 PolarHBondContact O-N 3.48Å; L112-R114 PolarHBondContact O-N 3.26Å; R114-F116 VanDerWaalsContact C-N 3.34Å; R114-F116 PolarHBondContact O-N 3.31Å; R114-N117 CarbonylContact O-C 3.53Å; R114-N117 WeakPolarHBondContact O-CA 3.42Å; R114-N117 PolarHBondContact O-N 3Å; R114-E118 IonicContact NE-OE1 4Å; R114-E118 PolarHBondContact O-N 2.95Å; R114-E118 VanDerWaalsContact O-N 3.13Å
115L98.4Very high96.6Very high4 Ų451.4 Ų51.42%0.02127%0.27CS..Hα-helixtrans-61.5-41.3-178-69.2166.6000112.2V99 Q102 V111 L112 N117 E118 I121V99-L115 HydrophobicContact CG1-CD1 4.35Å; V99-L115 HydrophobicContact CG2-CB 4.46Å; V99-L115 HydrophobicContact CG2-CD1 4.43Å; Q102-L115 HydrophobicContact CB-CD1 3.65Å; Q102-L115 HydrophobicContact CG-CD1 3.97Å; V111-L115 HydrophobicContact CG1-CD1 3.96Å; V111-L115 WeakPolarHBondContact O-CD1 3.39Å; V111-L115 VanDerWaalsContact O-CG 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.44Å; V111-L115 PolarHBondContact O-N 3.45Å; V111-L115 VanDerWaalsContact O-N 3.09Å; L112-L115 PolarHBondContact O-N 3.4Å; L115-N117 PolarHBondContact O-N 3.16Å; L115-E118 PolarHBondContact O-N 2.83Å; L115-E118 VanDerWaalsContact O-N 3.16Å; L115-I121 HydrophobicContact CB-CG2 4.42Å; L115-I121 HydrophobicContact CD2-CD1 3.62Å
116F98.3Very high96.8Very high1 Ų147.5 Ų47.50%0.00424%0.237CC..Hα-helixtrans-72.5-14.1176.2-91.6-104.7000114L6 V7 R48 C51 F52 L55 V99 L112 R114 S122 V125L6-F116 WeakPolarHBondContact CB-O 3.43Å; L6-F116 WeakPolarHBondContact CD1-O 3.47Å; V7-F116 HydrophobicContact CG2-CB 4.17Å; V7-F116 HydrophobicContact CG2-CD1 4.33Å; R48-F116 HydrophobicContact CG-CD1 4.08Å; R48-F116 HydrophobicContact CG-CE1 4.41Å; C51-F116 HydrophobicContact CB-CE1 4.12Å; C51-F116 HydrophobicContact CB-CZ 3.94Å; F52-F116 HydrophobicContact CB-CD1 4.04Å; F52-F116 HydrophobicContact CB-CE1 3.91Å; F52-F116 HydrophobicContact CB-CZ 4.3Å; F52-F116 HydrophobicContact CD2-CB 3.9Å; F52-F116 HydrophobicContact CD2-CD1 4.01Å; F52-F116 AromaticContact CD2-CD2 3.98Å; F52-F116 HydrophobicContact CD2-CD2 3.98Å; F52-F116 AromaticContact CD2-CG 3.7Å; F52-F116 HydrophobicContact CD2-CG 3.7Å; F52-F116 HydrophobicContact CE2-CB 4.34Å; L55-F116 HydrophobicContact CD1-CE2 3.92Å; L55-F116 HydrophobicContact CD1-CZ 4.15Å; V99-F116 HydrophobicContact CG1-CE2 4.03Å; L112-F116 HydrophobicContact CD1-CD2 3.62Å; L112-F116 HydrophobicContact CD1-CE2 3.52Å; L112-F116 HydrophobicContact CG-CD2 4.32Å; L112-F116 PolarHBondContact O-N 2.72Å; R114-F116 VanDerWaalsContact C-N 3.34Å; R114-F116 PolarHBondContact O-N 3.31Å; F116-S122 WeakPolarHBondContact O-CB 3.17Å; F116-S122 PolarHBondContact O-OG 2.93Å; F116-V125 HydrophobicContact CE1-CG1 4.44Å; F116-V125 HydrophobicContact CZ-CG1 4.13Å
117N98.4Very high97.1Very high51 Ų5149 Ų4927%0.27324%0.237SC..THydrogen-bonded Turntrans-96.2-0.2171.2-78.7-68.2000113.2S5 L6 V7 L113 R114 L115S5-N117 VanDerWaalsContact CA-OD1 3.24Å; S5-N117 WeakPolarHBondContact CA-OD1 3.39Å; S5-N117 VanDerWaalsContact CB-OD1 3.22Å; S5-N117 WeakPolarHBondContact CB-OD1 3.35Å; L6-N117 PolarHBondContact N-OD1 3.18Å; V7-N117 PolarHBondContact N-OD1 2.82Å; V7-N117 PolarHBondContact O-ND2 3.3Å; V7-N117 PolarHBondContact O-OD1 3.01Å; L113-N117 WeakPolarHBondContact CD1-ND2 3.49Å; L113-N117 WeakPolarHBondContact O-CB 3.47Å; L113-N117 PolarHBondContact O-N 3.48Å; L113-N117 VanDerWaalsContact O-N 3.13Å; L113-N117 PolarHBondContact O-ND2 3.01Å; R114-N117 CarbonylContact O-C 3.53Å; R114-N117 WeakPolarHBondContact O-CA 3.42Å; R114-N117 PolarHBondContact O-N 3Å; L115-N117 PolarHBondContact O-N 3.16Å
118E98.2Very high97.6Very high82 Ų8245.3 Ų45.338%0.38322%0.219SC..SBendtrans-85.9108.5166.1-69.4176.2-137.300109R114 L115 I120 I121 S122R114-E118 IonicContact NE-OE1 4Å; R114-E118 PolarHBondContact O-N 2.95Å; R114-E118 VanDerWaalsContact O-N 3.13Å; L115-E118 PolarHBondContact O-N 2.83Å; L115-E118 VanDerWaalsContact O-N 3.16Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 2.88Å; E118-I120 VanDerWaalsContact O-N 3.17Å; E118-I121 HydrophobicContact CB-CB 4.17Å; E118-I121 HydrophobicContact CB-CD1 4.11Å; E118-I121 HydrophobicContact CB-CG1 4.16Å; E118-I121 PolarHBondContact O-N 3.41Å; E118-I121 WeakPolarHBondContact OE2-CD1 3.35Å; E118-S122 WeakPolarHBondContact O-CB 3.37Å; E118-S122 PolarHBondContact O-N 3.16Å
119Q97.3Very high97.9Very high96 Ų9640.8 Ų40.845%0.44920%0.199SC..Hα-helixtrans-47.9-50.2-171.1-170.173.242.300113.5I121 S122 D123Q119-I121 PolarHBondContact O-N 2.99Å; Q119-S122 PolarHBondContact O-N 3.49Å; Q119-D123 VanDerWaalsContact NE2-CG 3.31Å; Q119-D123 PolarHBondContact NE2-OD1 3.32Å; Q119-D123 PolarHBondContact NE2-OD2 3.4Å; Q119-D123 VanDerWaalsContact O-CB 3.32Å; Q119-D123 WeakPolarHBondContact O-CB 3.38Å; Q119-D123 VanDerWaalsContact O-CG 3.31Å; Q119-D123 PolarHBondContact O-N 2.97Å
120I98Very high98.2Very high135 Ų13538 Ų3869%0.69219%0.185SC*.Hα-helixtrans-62.9-43.4-177-63173.7000111E118 S124E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 2.88Å; E118-I120 VanDerWaalsContact O-N 3.17Å; I120-S124 VanDerWaalsContact O-CB 3.27Å; I120-S124 WeakPolarHBondContact O-CB 3.34Å; I120-S124 PolarHBondContact O-N 2.59Å; I120-S124 PolarHBondContact O-OG 2.92Å
121I98.6Very high98.4Very high23 Ų2334 Ų3412%0.11816%0.164CC..Hα-helixtrans-66.2-51.8179.3-64.1-175.9000109.3T95 V99 L115 E118 Q119 D123 S124 V125T95-I121 HydrophobicContact CG2-CB 4.43Å; T95-I121 HydrophobicContact CG2-CG2 4.02Å; V99-I121 HydrophobicContact CG2-CG2 3.55Å; L115-I121 HydrophobicContact CB-CG2 4.42Å; L115-I121 HydrophobicContact CD2-CD1 3.62Å; E118-I121 HydrophobicContact CB-CB 4.17Å; E118-I121 HydrophobicContact CB-CD1 4.11Å; E118-I121 HydrophobicContact CB-CG1 4.16Å; E118-I121 PolarHBondContact O-N 3.41Å; E118-I121 WeakPolarHBondContact OE2-CD1 3.35Å; Q119-I121 PolarHBondContact O-N 2.99Å; I121-D123 PolarHBondContact O-N 3.16Å; I121-S124 PolarHBondContact O-N 2.95Å; I121-V125 WeakPolarHBondContact O-CG2 3.48Å; I121-V125 PolarHBondContact O-N 2.95Å
122S98.7Very high98.4Very high0 Ų033.7 Ų33.70%016%0.161CC..Hα-helixtrans-60.2-44.3-176-148.90000111.7R48 F116 E118 Q119 V125 V126R48-S122 PolarHBondContact NH1-O 3.44Å; R48-S122 PolarHBondContact NH1-OG 3.13Å; F116-S122 WeakPolarHBondContact O-CB 3.17Å; F116-S122 PolarHBondContact O-OG 2.93Å; E118-S122 WeakPolarHBondContact O-CB 3.37Å; E118-S122 PolarHBondContact O-N 3.16Å; Q119-S122 PolarHBondContact O-N 3.49Å; S122-V125 PolarHBondContact O-N 3.4Å; S122-V126 WeakPolarHBondContact O-CG2 3.47Å; S122-V126 PolarHBondContact O-N 3.36Å
123D98.7Very high98.5Very high42 Ų4233.7 Ų33.723%0.22516%0.161CC..Hα-helixtrans-70.4-34.7177.7-70.1-8000112.7R48 Q119 I121 V125 V126 Q127 M164R48-D123 IonicContact CZ-OD1 3.9Å; R48-D123 IonicContact NH1-OD1 2.59Å; R48-D123 PolarHBondContact NH1-OD1 2.95Å; R48-D123 IonicContact NH2-OD1 2.78Å; R48-D123 PolarHBondContact NH2-OD1 3.48Å; Q119-D123 VanDerWaalsContact NE2-CG 3.31Å; Q119-D123 PolarHBondContact NE2-OD1 3.32Å; Q119-D123 PolarHBondContact NE2-OD2 3.4Å; Q119-D123 VanDerWaalsContact O-CB 3.32Å; Q119-D123 WeakPolarHBondContact O-CB 3.38Å; Q119-D123 VanDerWaalsContact O-CG 3.31Å; Q119-D123 PolarHBondContact O-N 2.97Å; I121-D123 PolarHBondContact O-N 3.16Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V126 PolarHBondContact O-N 3.19Å; D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 3.35Å; D123-M164 HydrophobicContact CB-CE 4.1Å
124S98.8Very high98.5Very high12 Ų1232.7 Ų32.78%0.08416%0.156CC..Hα-helixtrans-65.5-38.4174.4-610000111.7I120 I121 Q127 F128I120-S124 VanDerWaalsContact O-CB 3.27Å; I120-S124 WeakPolarHBondContact O-CB 3.34Å; I120-S124 PolarHBondContact O-N 2.59Å; I120-S124 PolarHBondContact O-OG 2.92Å; I121-S124 PolarHBondContact O-N 2.95Å; S124-Q127 PolarHBondContact O-N 2.99Å; S124-F128 WeakPolarHBondContact O-CB 3.31Å; S124-F128 PolarHBondContact O-N 3.24Å
125V98.8Very high98.5Very high3 Ų326.8 Ų26.82%0.01813%0.134CC..Hα-helixtrans-62-49172.2172.70000110.1C51 V96 V99 F116 I121 S122 D123 Q127 F128 L129C51-V125 HydrophobicContact CB-CG1 4.23Å; C51-V125 VanDerWaalsContact SG-CG1 3.54Å; V96-V125 HydrophobicContact CG2-CB 4.39Å; V96-V125 HydrophobicContact CG2-CG1 4.38Å; V96-V125 HydrophobicContact CG2-CG2 4.08Å; V99-V125 HydrophobicContact CG2-CG2 4.18Å; F116-V125 HydrophobicContact CE1-CG1 4.44Å; F116-V125 HydrophobicContact CZ-CG1 4.13Å; I121-V125 WeakPolarHBondContact O-CG2 3.48Å; I121-V125 PolarHBondContact O-N 2.95Å; S122-V125 PolarHBondContact O-N 3.4Å; D123-V125 VanDerWaalsContact C-N 3.33Å; V125-Q127 PolarHBondContact O-N 3.5Å; V125-F128 WeakPolarHBondContact O-CB 3.48Å; V125-F128 PolarHBondContact O-N 3.02Å; V125-L129 HydrophobicContact CG1-CD1 4.28Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 2.98Å; V125-L129 VanDerWaalsContact O-N 3.09Å
126V98.8Very high98.5Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-56.9-49.5176.9165.40000111.1N44 Y47 R48 S122 D123 F128 L129 R130 M164N44-V126 HydrophobicContact CB-CG1 3.75Å; N44-V126 HydrophobicContact CB-CG2 4.15Å; Y47-V126 HydrophobicContact CG-CG1 4.45Å; R48-V126 HydrophobicContact CB-CG2 4.12Å; S122-V126 WeakPolarHBondContact O-CG2 3.47Å; S122-V126 PolarHBondContact O-N 3.36Å; D123-V126 PolarHBondContact O-N 3.19Å; V126-F128 VanDerWaalsContact C-N 3.3Å; V126-F128 PolarHBondContact O-N 3.3Å; V126-L129 PolarHBondContact O-N 2.88Å; V126-L129 VanDerWaalsContact O-N 3.11Å; V126-R130 PolarHBondContact O-N 3.18Å; V126-M164 HydrophobicContact CB-CE 4.13Å; V126-M164 HydrophobicContact CG1-CE 3.66Å; V126-M164 HydrophobicContact CG1-SD 3.87Å
127Q98.8Very high98.5Very high80 Ų8027.6 Ų27.637%0.37414%0.138SC..Hα-helixtrans-61.5-40.6-177.9-167.5177.316.100111.2L92 D123 S124 V125 L129 R130 L131 M164L92-Q127 HydrophobicContact CD1-CB 4.09Å; L92-Q127 HydrophobicContact CD1-CG 3.74Å; L92-Q127 HydrophobicContact CD2-CB 4.31Å; D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 3.35Å; S124-Q127 PolarHBondContact O-N 2.99Å; V125-Q127 PolarHBondContact O-N 3.5Å; Q127-L129 VanDerWaalsContact C-N 3.35Å; Q127-L129 PolarHBondContact O-N 3.32Å; Q127-R130 PolarHBondContact O-N 3.02Å; Q127-L131 WeakPolarHBondContact O-CG 3.32Å; Q127-L131 PolarHBondContact O-N 2.7Å; Q127-L131 VanDerWaalsContact O-N 3.08Å; Q127-M164 HydrophobicContact CB-SD 3.84Å; Q127-M164 HydrophobicContact CG-SD 4.17Å
128F98.8Very high98.4Very high1 Ų127 Ų270%0.00413%0.133CC..Hα-helixtrans-58.6-46173.7-172.9-110.2000112.2V72 S75 L79 L92 Q93 V96 S124 V125 V126 R130 L131 L132V72-F128 HydrophobicContact CG1-CE1 4.04Å; V72-F128 HydrophobicContact CG1-CZ 4.24Å; S75-F128 VanDerWaalsContact OG-CZ 3.32Å; S75-F128 WeakPolarHBondContact OG-CZ 3.31Å; L79-F128 HydrophobicContact CD1-CE2 3.75Å; L79-F128 HydrophobicContact CD1-CZ 4.35Å; L92-F128 HydrophobicContact CB-CB 3.94Å; L92-F128 HydrophobicContact CB-CD2 3.94Å; L92-F128 HydrophobicContact CB-CG 4.38Å; Q93-F128 HydrophobicContact CB-CD2 4.13Å; Q93-F128 HydrophobicContact CB-CE2 3.51Å; Q93-F128 HydrophobicContact CB-CZ 3.97Å; Q93-F128 HydrophobicContact CG-CE2 3.86Å; Q93-F128 HydrophobicContact CG-CZ 3.79Å; V96-F128 HydrophobicContact CB-CD1 4.4Å; V96-F128 HydrophobicContact CG2-CB 3.93Å; V96-F128 HydrophobicContact CG2-CD1 3.61Å; V96-F128 HydrophobicContact CG2-CE1 4.3Å; V96-F128 HydrophobicContact CG2-CG 3.91Å; S124-F128 WeakPolarHBondContact O-CB 3.31Å; S124-F128 PolarHBondContact O-N 3.24Å; V125-F128 WeakPolarHBondContact O-CB 3.48Å; V125-F128 PolarHBondContact O-N 3.02Å; V126-F128 VanDerWaalsContact C-N 3.3Å; V126-F128 PolarHBondContact O-N 3.3Å; F128-R130 VanDerWaalsContact C-N 3.33Å; F128-R130 PolarHBondContact O-N 2.71Å; F128-L131 PolarHBondContact O-N 2.83Å; F128-L132 HydrophobicContact CD1-CD1 3.92Å; F128-L132 HydrophobicContact CD1-CG 4.17Å; F128-L132 HydrophobicContact CE1-CD1 3.51Å; F128-L132 HydrophobicContact CE1-CD2 4.3Å; F128-L132 HydrophobicContact CE1-CG 3.92Å; F128-L132 HydrophobicContact CZ-CD1 4.17Å; F128-L132 HydrophobicContact CZ-CD2 4.14Å; F128-L132 HydrophobicContact CZ-CG 4.22Å; F128-L132 WeakPolarHBondContact O-CG 3.31Å; F128-L132 PolarHBondContact O-N 3.45Å
129L98.8Very high98.4Very high3 Ų326.6 Ų26.62%0.01613%0.133CC..Hα-helixtrans-66.7-34-180-63177.6000112.4Y47 C51 V125 V126 Q127 L132 T133 L176 L180Y47-L129 HydrophobicContact CD1-CB 3.77Å; Y47-L129 HydrophobicContact CE1-CB 4.47Å; C51-L129 HydrophobicContact CB-CD1 3.55Å; V125-L129 HydrophobicContact CG1-CD1 4.28Å; V125-L129 WeakPolarHBondContact O-CG 3.45Å; V125-L129 PolarHBondContact O-N 2.98Å; V125-L129 VanDerWaalsContact O-N 3.09Å; V126-L129 PolarHBondContact O-N 2.88Å; V126-L129 VanDerWaalsContact O-N 3.11Å; Q127-L129 VanDerWaalsContact C-N 3.35Å; Q127-L129 PolarHBondContact O-N 3.32Å; L129-L132 HydrophobicContact CD2-CD1 4.25Å; L129-L132 PolarHBondContact O-N 3.16Å; L129-T133 WeakPolarHBondContact O-CB 3.21Å; L129-T133 PolarHBondContact O-N 3.46Å; L129-T133 PolarHBondContact O-OG1 3.05Å; L129-L176 HydrophobicContact CB-CD1 4.27Å; L129-L176 HydrophobicContact CD2-CD1 4.31Å; L129-L180 HydrophobicContact CD2-CD1 4.36Å; L129-L180 HydrophobicContact CD2-CD2 4.31Å
130R98.8Very high98.4Very high1 Ų126 Ų260%0.00413%0.13CC..Hα-helixtrans-61-44.7170.7-73.8-180177.2-78.61.1111.6G43 N44 Y47 V126 Q127 F128 L132 T133 S134 V161 V163 M166G43-R130 PolarHBondContact O-NH2 3.24Å; G43-R130 VanDerWaalsContact O-NH2 3.16Å; N44-R130 PolarHBondContact OD1-NE 3.33Å; N44-R130 PolarHBondContact OD1-NH2 3.42Å; Y47-R130 HydrophobicContact CD1-CG 4.21Å; Y47-R130 HydrophobicContact CD2-CG 4.09Å; Y47-R130 HydrophobicContact CE1-CG 3.91Å; Y47-R130 HydrophobicContact CE2-CG 3.82Å; Y47-R130 HydrophobicContact CG-CG 4.29Å; V126-R130 PolarHBondContact O-N 3.18Å; Q127-R130 PolarHBondContact O-N 3.02Å; F128-R130 VanDerWaalsContact C-N 3.33Å; F128-R130 PolarHBondContact O-N 2.71Å; R130-L132 PolarHBondContact O-N 2.99Å; R130-T133 WeakPolarHBondContact O-CB 3.45Å; R130-T133 PolarHBondContact O-N 2.93Å; R130-S134 WeakPolarHBondContact O-CB 3.34Å; R130-S134 PolarHBondContact O-N 3.09Å; R130-V161 WeakPolarHBondContact CB-O 3.39Å; R130-V161 VanDerWaalsContact CD-O 3.26Å; R130-V161 WeakPolarHBondContact CD-O 3.33Å; R130-V161 WeakPolarHBondContact CG-O 3.24Å; R130-V161 PolarHBondContact NH1-O 2.83Å; R130-V163 VanDerWaalsContact CZ-O 3.3Å; R130-V163 PolarHBondContact NH1-O 2.98Å; R130-V163 VanDerWaalsContact NH1-O 3.15Å; R130-M166 PolarHBondContact NH1-O 3.46Å; R130-M166 PolarHBondContact NH2-O 3.03Å
131L98.7Very high98.2Very high16 Ų1623.8 Ų23.88%0.08412%0.117CC..Hα-helixtrans-63.7-39.9175.2-62.8-174000112.2L79 F84 F89 L92 Q127 F128 T133 S134 A135 E162L79-L131 HydrophobicContact CD2-CB 3.8Å; L79-L131 WeakPolarHBondContact CD2-O 3.4Å; F84-L131 HydrophobicContact CD1-CD2 4.34Å; F84-L131 HydrophobicContact CE1-CD2 3.77Å; F84-L131 HydrophobicContact CZ-CD2 4.35Å; F89-L131 HydrophobicContact CB-CD1 3.81Å; L92-L131 HydrophobicContact CD1-CD1 3.84Å; Q127-L131 WeakPolarHBondContact O-CG 3.32Å; Q127-L131 PolarHBondContact O-N 2.7Å; Q127-L131 VanDerWaalsContact O-N 3.08Å; F128-L131 PolarHBondContact O-N 2.83Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.39Å; L131-S134 PolarHBondContact O-N 2.89Å; L131-A135 WeakPolarHBondContact O-CB 3.45Å; L131-A135 PolarHBondContact O-N 3.48Å; L131-E162 HydrophobicContact CD2-CG 4.2Å
132L98.4Very high98.1Very high13 Ų1330 Ų307%0.06815%0.15CC..Hα-helixtrans-62.9-40.2174.6-70.4-171.3000112.6S75 L79 F128 L129 R130 A135 H136 L180S75-L132 VanDerWaalsContact CB-CD2 3.47Å; L79-L132 HydrophobicContact CD1-CD2 3.97Å; L79-L132 HydrophobicContact CD2-CD2 4.08Å; L79-L132 HydrophobicContact CG-CD2 3.9Å; F128-L132 HydrophobicContact CD1-CD1 3.92Å; F128-L132 HydrophobicContact CD1-CG 4.17Å; F128-L132 HydrophobicContact CE1-CD1 3.51Å; F128-L132 HydrophobicContact CE1-CD2 4.3Å; F128-L132 HydrophobicContact CE1-CG 3.92Å; F128-L132 HydrophobicContact CZ-CD1 4.17Å; F128-L132 HydrophobicContact CZ-CD2 4.14Å; F128-L132 HydrophobicContact CZ-CG 4.22Å; F128-L132 WeakPolarHBondContact O-CG 3.31Å; F128-L132 PolarHBondContact O-N 3.45Å; L129-L132 HydrophobicContact CD2-CD1 4.25Å; L129-L132 PolarHBondContact O-N 3.16Å; R130-L132 PolarHBondContact O-N 2.99Å; L132-A135 PolarHBondContact O-N 3.07Å; L132-H136 WeakPolarHBondContact O-CB 3.42Å; L132-H136 PolarHBondContact O-N 3.16Å; L132-L180 HydrophobicContact CD1-CD2 4.48Å
133T98.7Very high97.9Very high0 Ų034.6 Ų34.60%017%0.17CC..Hα-helixtrans-63.1-49.5176.5-53.30000110.1Y47 L129 R130 L131 A135 H136 L137 V161 D172 A175 L176Y47-T133 WeakPolarHBondContact CE1-OG1 3.48Å; L129-T133 WeakPolarHBondContact O-CB 3.21Å; L129-T133 PolarHBondContact O-N 3.46Å; L129-T133 PolarHBondContact O-OG1 3.05Å; R130-T133 WeakPolarHBondContact O-CB 3.45Å; R130-T133 PolarHBondContact O-N 2.93Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.39Å; T133-A135 VanDerWaalsContact C-N 3.35Å; T133-A135 PolarHBondContact O-N 3.21Å; T133-H136 PolarHBondContact O-N 3.49Å; T133-L137 HydrophobicContact CG2-CD1 4.25Å; T133-L137 WeakPolarHBondContact O-CG 3.36Å; T133-L137 PolarHBondContact O-N 3.33Å; T133-V161 HydrophobicContact CG2-CG1 3.79Å; T133-D172 HydrophobicContact CG2-CB 4.08Å; T133-D172 WeakPolarHBondContact CG2-O 3.25Å; T133-A175 HydrophobicContact CG2-CB 3.98Å; T133-L176 HydrophobicContact CG2-CB 4.38Å; T133-L176 WeakPolarHBondContact OG1-CD1 3.08Å
134S98.5Very high97.8Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-56.5-45.8175.4171.60000112.3F84 R130 L131 H136 L137 Q138 C157 E162F84-S134 WeakPolarHBondContact CZ-OG 3.38Å; R130-S134 WeakPolarHBondContact O-CB 3.34Å; R130-S134 PolarHBondContact O-N 3.09Å; L131-S134 PolarHBondContact O-N 2.89Å; S134-H136 PolarHBondContact O-N 2.93Å; S134-L137 PolarHBondContact O-N 2.95Å; S134-Q138 WeakPolarHBondContact O-CB 3.5Å; S134-Q138 WeakPolarHBondContact O-CG 3.43Å; S134-Q138 PolarHBondContact O-N 3.41Å; S134-Q138 PolarHBondContact O-NE2 3.49Å; S134-Q138 PolarHBondContact OG-NE2 2.88Å; S134-C157 VanDerWaalsContact OG-CB 3.28Å; S134-C157 WeakPolarHBondContact OG-CB 3.4Å; S134-E162 PolarHBondContact OG-OE1 3.32Å
135A98.4Very high97.6Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-64.1-41.9177.300000112.5V78 L79 A82 F84 L131 L132 T133 Q138 I139V78-A135 HydrophobicContact CG1-CB 4.42Å; L79-A135 HydrophobicContact CD2-CB 3.89Å; A82-A135 HydrophobicContact CB-CB 3.62Å; F84-A135 HydrophobicContact CD2-CB 4.43Å; F84-A135 HydrophobicContact CE2-CB 3.99Å; L131-A135 WeakPolarHBondContact O-CB 3.45Å; L131-A135 PolarHBondContact O-N 3.48Å; L132-A135 PolarHBondContact O-N 3.07Å; T133-A135 VanDerWaalsContact C-N 3.35Å; T133-A135 PolarHBondContact O-N 3.21Å; A135-Q138 PolarHBondContact O-N 3.45Å; A135-I139 WeakPolarHBondContact O-CB 3.34Å; A135-I139 WeakPolarHBondContact O-CD1 3.43Å; A135-I139 WeakPolarHBondContact O-CG1 3.48Å; A135-I139 PolarHBondContact O-N 2.95Å
136H98.3Very high97.3Very high22 Ų2240.3 Ų40.310%0.10220%0.204CC..Hα-helixtrans-65.4-41.3179-169.486.3000112.1L132 T133 S134 H140 F144 A175 Q178 A179L132-H136 WeakPolarHBondContact O-CB 3.42Å; L132-H136 PolarHBondContact O-N 3.16Å; T133-H136 PolarHBondContact O-N 3.49Å; S134-H136 PolarHBondContact O-N 2.93Å; H136-H140 AromaticContact CD2-ND1 3.81Å; H136-H140 AromaticContact CE1-CE1 3.31Å; H136-H140 PolarHBondContact CE1-CE1 3.48Å; H136-H140 AromaticContact CE1-ND1 3.53Å; H136-H140 AromaticContact CG-ND1 3.89Å; H136-H140 AromaticContact ND1-CE1 3.54Å; H136-H140 AromaticContact ND1-ND1 3.71Å; H136-H140 AromaticContact NE2-CE1 3.81Å; H136-H140 AromaticContact NE2-ND1 3.59Å; H136-H140 PolarHBondContact O-N 3.11Å; H136-H140 PolarHBondContact O-ND1 3.45Å; H136-F144 AromaticContact CD2-CE2 3.73Å; H136-F144 AromaticContact CD2-CZ 3.97Å; H136-F144 AromaticContact NE2-CE2 3.97Å; H136-A175 PolarHBondContact CD2-O 3.39Å; H136-Q178 WeakPolarHBondContact NE2-CB 3.32Å; H136-Q178 PolarHBondContact NE2-OE1 2.86Å; H136-A179 HydrophobicContact CB-CB 4.02Å
137L98.1Very high97.1Very high0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-58.5-52173.2-72.2169.9000110.9T133 S134 I139 H140 E141 F144 L153 Y156 V161 V171 A175T133-L137 HydrophobicContact CG2-CD1 4.25Å; T133-L137 WeakPolarHBondContact O-CG 3.36Å; T133-L137 PolarHBondContact O-N 3.33Å; S134-L137 PolarHBondContact O-N 2.95Å; L137-I139 PolarHBondContact O-N 3.46Å; L137-H140 CarbonylContact O-C 3.5Å; L137-H140 PolarHBondContact O-N 3.09Å; L137-E141 PolarHBondContact O-N 3.03Å; L137-F144 HydrophobicContact CD2-CB 3.94Å; L137-F144 HydrophobicContact CD2-CD1 3.57Å; L137-F144 HydrophobicContact CD2-CD2 3.99Å; L137-F144 HydrophobicContact CD2-CE1 3.98Å; L137-F144 HydrophobicContact CD2-CE2 4.39Å; L137-F144 HydrophobicContact CD2-CG 3.57Å; L137-F144 HydrophobicContact CD2-CZ 4.38Å; L137-L153 HydrophobicContact CB-CD1 4.34Å; L137-L153 WeakPolarHBondContact O-CD1 3.32Å; L137-Y156 HydrophobicContact CD1-CD1 4.35Å; L137-Y156 HydrophobicContact CD1-CE1 4.19Å; L137-V161 HydrophobicContact CD1-CG2 3.86Å; L137-V171 HydrophobicContact CD2-CG2 3.93Å; L137-A175 HydrophobicContact CD2-CB 3.57Å; L137-A175 HydrophobicContact CG-CB 3.68Å
138Q97.4Very high96.9Very high37 Ų3743.5 Ų43.517%0.17322%0.218CC..Hα-helixtrans-65.8-35.5-177.7-71.8179.677.400113.3S134 A135 H140S134-Q138 WeakPolarHBondContact O-CB 3.5Å; S134-Q138 WeakPolarHBondContact O-CG 3.43Å; S134-Q138 PolarHBondContact O-N 3.41Å; S134-Q138 PolarHBondContact O-NE2 3.49Å; S134-Q138 PolarHBondContact OG-NE2 2.88Å; A135-Q138 PolarHBondContact O-N 3.45Å; Q138-H140 VanDerWaalsContact C-N 3.31Å; Q138-H140 PolarHBondContact O-N 3.46Å
139I97.1Very high96.5Very high74 Ų7453.2 Ų53.238%0.37926%0.263SS..Hα-helixtrans-68.9-32178.1-72.7166000111.8V78 A82 A135 L137V78-I139 HydrophobicContact CG1-CD1 3.43Å; V78-I139 VanDerWaalsContact CG1-CD1 3.43Å; A82-I139 HydrophobicContact CB-CD1 4.25Å; A82-I139 HydrophobicContact CB-CG1 4.2Å; A135-I139 WeakPolarHBondContact O-CB 3.34Å; A135-I139 WeakPolarHBondContact O-CD1 3.43Å; A135-I139 WeakPolarHBondContact O-CG1 3.48Å; A135-I139 PolarHBondContact O-N 2.95Å; L137-I139 PolarHBondContact O-N 3.46Å
140H96.4Very high96.2Very high83 Ų8354.7 Ų54.738%0.38428%0.276SS..THydrogen-bonded Turntrans-10938.4-178.2-54.693.1000111.3H136 L137 Q138 D142 F143 F144H136-H140 AromaticContact CD2-ND1 3.81Å; H136-H140 AromaticContact CE1-CE1 3.31Å; H136-H140 PolarHBondContact CE1-CE1 3.48Å; H136-H140 AromaticContact CE1-ND1 3.53Å; H136-H140 AromaticContact CG-ND1 3.89Å; H136-H140 AromaticContact ND1-CE1 3.54Å; H136-H140 AromaticContact ND1-ND1 3.71Å; H136-H140 AromaticContact NE2-CE1 3.81Å; H136-H140 AromaticContact NE2-ND1 3.59Å; H136-H140 PolarHBondContact O-N 3.11Å; H136-H140 PolarHBondContact O-ND1 3.45Å; L137-H140 CarbonylContact O-C 3.5Å; L137-H140 PolarHBondContact O-N 3.09Å; Q138-H140 VanDerWaalsContact C-N 3.31Å; Q138-H140 PolarHBondContact O-N 3.46Å; H140-D142 VanDerWaalsContact C-N 3.3Å; H140-D142 PolarHBondContact O-N 3.2Å; H140-F143 PolarHBondContact O-N 3.13Å; H140-F144 HydrophobicContact CB-CD2 3.71Å; H140-F144 HydrophobicContact CB-CE2 3.75Å; H140-F144 WeakPolarHBondContact O-CD2 3.32Å; H140-F144 PolarHBondContact O-N 3.31Å; H140-F144 VanDerWaalsContact O-N 3.16Å
141E95.7Very high95.9Very high90 Ų9060.2 Ų60.242%0.42131%0.312SS..Hα-helixtrans-54.9-42.1-171.2178.5171.8-156.900113.5L137 F143 F144 C145 L153L137-E141 PolarHBondContact O-N 3.03Å; E141-F143 PolarHBondContact O-N 3.35Å; E141-F143 VanDerWaalsContact O-N 3.09Å; E141-F144 PolarHBondContact O-N 3.4Å; E141-C145 HydrophobicContact CG-CB 4.4Å; E141-C145 VanDerWaalsContact O-CB 3.24Å; E141-C145 WeakPolarHBondContact O-CB 3.48Å; E141-C145 PolarHBondContact O-N 3.13Å; E141-C145 PolarHBondContact O-SG 3.48Å; E141-L153 HydrophobicContact CB-CD1 4Å; E141-L153 HydrophobicContact CG-CB 4.36Å; E141-L153 HydrophobicContact CG-CD1 3.95Å; E141-L153 HydrophobicContact CG-CG 4.05Å
142D95.4Very high95.6Very high152 Ų15262.6 Ų62.681%0.81333%0.325SS*.Hα-helixtrans-54.8-31.7179.3-69.3-21.7000113.3H140 N146H140-D142 VanDerWaalsContact C-N 3.3Å; H140-D142 PolarHBondContact O-N 3.2Å; D142-N146 PolarHBondContact O-ND2 3.42Å; D142-N146 VanDerWaalsContact O-ND2 3.12Å
143F95.3Very high95.4Very high97 Ų9762 Ų6243%0.42532%0.322SS..Hα-helixtrans-83.9-54.3176.4176.2-102.9000110.6H140 E141 C145 N146 F147 L174H140-F143 PolarHBondContact O-N 3.13Å; E141-F143 PolarHBondContact O-N 3.35Å; E141-F143 VanDerWaalsContact O-N 3.09Å; F143-C145 PolarHBondContact O-N 2.84Å; F143-N146 PolarHBondContact O-ND2 2.65Å; F143-N146 VanDerWaalsContact O-ND2 3.14Å; F143-F147 HydrophobicContact CD1-CE2 4.13Å; F143-F147 HydrophobicContact CD2-CE2 4.22Å; F143-F147 HydrophobicContact CE1-CD2 4.47Å; F143-F147 AromaticContact CE1-CE2 3.79Å; F143-F147 HydrophobicContact CE1-CE2 3.79Å; F143-F147 AromaticContact CE2-CE2 3.89Å; F143-F147 HydrophobicContact CE2-CE2 3.89Å; F143-F147 HydrophobicContact CE2-CZ 4.13Å; F143-F147 HydrophobicContact CG-CE2 4.34Å; F143-F147 AromaticContact CZ-CE2 3.65Å; F143-F147 HydrophobicContact CZ-CE2 3.65Å; F143-F147 AromaticContact CZ-CZ 3.98Å; F143-F147 HydrophobicContact CZ-CZ 3.98Å; F143-F147 WeakPolarHBondContact O-CD2 3.47Å; F143-F147 VanDerWaalsContact O-CE2 3.22Å; F143-F147 WeakPolarHBondContact O-CE2 3.25Å; F143-L174 HydrophobicContact CE1-CD2 4.11Å; F143-L174 HydrophobicContact CZ-CD2 4.47Å
144F96.3Very high95.2Very high1 Ų166.9 Ų66.90%0.00434%0.343CS..Hα-helixtrans-74.7-25.1-167.8-74.7-70000114.5H136 L137 H140 E141 N146 F147 L153 V171 L174 A175H136-F144 AromaticContact CD2-CE2 3.73Å; H136-F144 AromaticContact CD2-CZ 3.97Å; H136-F144 AromaticContact NE2-CE2 3.97Å; L137-F144 HydrophobicContact CD2-CB 3.94Å; L137-F144 HydrophobicContact CD2-CD1 3.57Å; L137-F144 HydrophobicContact CD2-CD2 3.99Å; L137-F144 HydrophobicContact CD2-CE1 3.98Å; L137-F144 HydrophobicContact CD2-CE2 4.39Å; L137-F144 HydrophobicContact CD2-CG 3.57Å; L137-F144 HydrophobicContact CD2-CZ 4.38Å; H140-F144 HydrophobicContact CB-CD2 3.71Å; H140-F144 HydrophobicContact CB-CE2 3.75Å; H140-F144 WeakPolarHBondContact O-CD2 3.32Å; H140-F144 PolarHBondContact O-N 3.31Å; H140-F144 VanDerWaalsContact O-N 3.16Å; E141-F144 PolarHBondContact O-N 3.4Å; F144-N146 PolarHBondContact O-N 2.86Å; F144-F147 PolarHBondContact O-N 2.98Å; F144-L153 HydrophobicContact CB-CD1 3.56Å; F144-L153 HydrophobicContact CB-CD2 4.4Å; F144-V171 HydrophobicContact CD1-CG2 3.65Å; F144-V171 HydrophobicContact CE1-CG2 4.27Å; F144-L174 HydrophobicContact CE1-CD2 4.05Å; F144-L174 HydrophobicContact CE1-CG 4.22Å; F144-A175 HydrophobicContact CE1-CB 4.24Å; F144-A175 HydrophobicContact CZ-CB 4.03Å
145C94.1Very high95.2Very high54 Ų5468.8 Ų68.837%0.36536%0.355SS..G310 helixtrans-59.5-23-179.267.50000113.4E141 F143 F147 L153E141-C145 HydrophobicContact CG-CB 4.4Å; E141-C145 VanDerWaalsContact O-CB 3.24Å; E141-C145 WeakPolarHBondContact O-CB 3.48Å; E141-C145 PolarHBondContact O-N 3.13Å; E141-C145 PolarHBondContact O-SG 3.48Å; F143-C145 PolarHBondContact O-N 2.84Å; C145-F147 VanDerWaalsContact C-N 3.26Å; C145-F147 PolarHBondContact O-N 2.91Å; C145-L153 HydrophobicContact CB-CG 4.32Å
146N93.7Very high95.1Very high123 Ų12369.9 Ų69.966%0.65836%0.359SS*.G310 helixtrans-78-8.5179.6-55.9-70.1000113.9D142 F143 F144D142-N146 PolarHBondContact O-ND2 3.42Å; D142-N146 VanDerWaalsContact O-ND2 3.12Å; F143-N146 PolarHBondContact O-ND2 2.65Å; F143-N146 VanDerWaalsContact O-ND2 3.14Å; F144-N146 PolarHBondContact O-N 2.86Å
147F93.7Very high95.1Very high123 Ų12368.8 Ų68.854%0.53935%0.354SS..G310 helixtrans-113.61.5-173.2-56.4-76.1000113.9F143 F144 C145 V171F143-F147 HydrophobicContact CD1-CE2 4.13Å; F143-F147 HydrophobicContact CD2-CE2 4.22Å; F143-F147 HydrophobicContact CE1-CD2 4.47Å; F143-F147 AromaticContact CE1-CE2 3.79Å; F143-F147 HydrophobicContact CE1-CE2 3.79Å; F143-F147 AromaticContact CE2-CE2 3.89Å; F143-F147 HydrophobicContact CE2-CE2 3.89Å; F143-F147 HydrophobicContact CE2-CZ 4.13Å; F143-F147 HydrophobicContact CG-CE2 4.34Å; F143-F147 AromaticContact CZ-CE2 3.65Å; F143-F147 HydrophobicContact CZ-CE2 3.65Å; F143-F147 AromaticContact CZ-CZ 3.98Å; F143-F147 HydrophobicContact CZ-CZ 3.98Å; F143-F147 WeakPolarHBondContact O-CD2 3.47Å; F143-F147 VanDerWaalsContact O-CE2 3.22Å; F143-F147 WeakPolarHBondContact O-CE2 3.25Å; F144-F147 PolarHBondContact O-N 2.98Å; C145-F147 VanDerWaalsContact C-N 3.26Å; C145-F147 PolarHBondContact O-N 2.91Å; F147-V171 HydrophobicContact CB-CG2 4.1Å
148V93.8Very high95Very high23 Ų2375.8 Ų75.814%0.13938%0.38CS..  trans-123.4147.5-178.3-53.50000111.9A150 L153 Y156 V171V148-A150 HydrophobicContact CG2-CB 4.33Å; V148-A150 PolarHBondContact O-N 3.25Å; V148-L153 HydrophobicContact CB-CD2 4.41Å; V148-L153 HydrophobicContact CG1-CD2 4.13Å; V148-L153 HydrophobicContact CG2-CD2 3.38Å; V148-Y156 HydrophobicContact CB-CD1 4.47Å; V148-Y156 HydrophobicContact CB-CD2 3.9Å; V148-Y156 HydrophobicContact CB-CE2 4.19Å; V148-Y156 HydrophobicContact CB-CG 4.05Å; V148-Y156 HydrophobicContact CG1-CD1 3.88Å; V148-Y156 HydrophobicContact CG1-CD2 4.04Å; V148-Y156 HydrophobicContact CG1-CE1 3.86Å; V148-Y156 HydrophobicContact CG1-CE2 4.03Å; V148-Y156 HydrophobicContact CG1-CG 3.97Å; V148-Y156 HydrophobicContact CG2-CG 4.29Å; V148-V171 HydrophobicContact CG1-CB 4.46Å; V148-V171 HydrophobicContact CG1-CG1 4Å; V148-V171 HydrophobicContact CG1-CG2 4.04Å
149E91.3Very high95Very high205 Ų20579.4 Ų79.496%0.95840%0.397SS*.  trans-96.773173.7-64.3-170.7173.900110.4
150A92.2Very high94.9Very high34 Ų3479.4 Ų79.428%0.28140%0.396SS..SBendtrans-143.7160177.300000111.2V148 D152V148-A150 HydrophobicContact CG2-CB 4.33Å; V148-A150 PolarHBondContact O-N 3.25Å; A150-D152 PolarHBondContact O-N 2.9Å
151P92.3Very high95Very high117 Ų11775.4 Ų75.476%0.7638%0.377SS*.SBendtrans-57.6-36.9175.6-25.234.7000113.6
152D92.9Very high95.1Very high67 Ų6773.4 Ų73.436%0.35837%0.368SS..SBendtrans-157.8168.5174.461.357.1000109.9A150 K154 V155 Y156A150-D152 PolarHBondContact O-N 2.9Å; D152-K154 VanDerWaalsContact C-N 3.25Å; D152-K154 PolarHBondContact O-N 3.29Å; D152-K154 WeakPolarHBondContact OD1-CA 3.41Å; D152-K154 VanDerWaalsContact OD1-CB 3.25Å; D152-K154 WeakPolarHBondContact OD1-CB 3.25Å; D152-K154 PolarHBondContact OD1-N 3.26Å; D152-V155 PolarHBondContact O-N 2.66Å; D152-V155 WeakPolarHBondContact OD1-CG2 3.42Å; D152-V155 PolarHBondContact OD1-N 3.31Å; D152-Y156 PolarHBondContact O-N 3.08Å
153L94.4Very high95.2Very high1 Ų169.2 Ų69.21%0.00535%0.348CS..Hα-helixtrans-66.9-26.6-179.4-76.5-162.9000113.6L137 E141 F144 C145 V148 V155 Y156 C157L137-L153 HydrophobicContact CB-CD1 4.34Å; L137-L153 WeakPolarHBondContact O-CD1 3.32Å; E141-L153 HydrophobicContact CB-CD1 4Å; E141-L153 HydrophobicContact CG-CB 4.36Å; E141-L153 HydrophobicContact CG-CD1 3.95Å; E141-L153 HydrophobicContact CG-CG 4.05Å; F144-L153 HydrophobicContact CB-CD1 3.56Å; F144-L153 HydrophobicContact CB-CD2 4.4Å; C145-L153 HydrophobicContact CB-CG 4.32Å; V148-L153 HydrophobicContact CB-CD2 4.41Å; V148-L153 HydrophobicContact CG1-CD2 4.13Å; V148-L153 HydrophobicContact CG2-CD2 3.38Å; L153-V155 VanDerWaalsContact C-N 3.34Å; L153-Y156 PolarHBondContact O-N 2.95Å; L153-C157 VanDerWaalsContact O-CB 3.29Å; L153-C157 WeakPolarHBondContact O-CB 3.2Å; L153-C157 PolarHBondContact O-N 3.31Å; L153-C157 PolarHBondContact O-SG 3.02Å
154K95.3Very high95.4Very high102 Ų10267.4 Ų67.444%0.44334%0.341SS..Hα-helixtrans-69.5-37.3-179.9-172.3172.5-173.4162.50111D152 R158D152-K154 VanDerWaalsContact C-N 3.25Å; D152-K154 PolarHBondContact O-N 3.29Å; D152-K154 WeakPolarHBondContact OD1-CA 3.41Å; D152-K154 VanDerWaalsContact OD1-CB 3.25Å; D152-K154 WeakPolarHBondContact OD1-CB 3.25Å; D152-K154 PolarHBondContact OD1-N 3.26Å; K154-R158 VanDerWaalsContact CE-NH2 3.27Å; K154-R158 WeakPolarHBondContact O-CB 3.5Å; K154-R158 WeakPolarHBondContact O-CD 3.36Å; K154-R158 VanDerWaalsContact O-CG 3.26Å; K154-R158 WeakPolarHBondContact O-CG 3.44Å; K154-R158 PolarHBondContact O-N 2.69Å
155V96.6Very high95.4Very high40 Ų4070 Ų7024%0.24236%0.363CS..Hα-helixtrans-65-49.4171.9174.30000110.2D152 L153 C157 R158 Q159D152-V155 PolarHBondContact O-N 2.66Å; D152-V155 WeakPolarHBondContact OD1-CG2 3.42Å; D152-V155 PolarHBondContact OD1-N 3.31Å; L153-V155 VanDerWaalsContact C-N 3.34Å; V155-C157 PolarHBondContact O-N 3.45Å; V155-R158 PolarHBondContact O-N 3.35Å; V155-Q159 WeakPolarHBondContact O-CB 3.46Å; V155-Q159 WeakPolarHBondContact O-CG 3.48Å; V155-Q159 PolarHBondContact O-N 3.09Å; V155-Q159 VanDerWaalsContact O-N 3.15Å
156Y97.3Very high95.4Very high22 Ų2270.2 Ų70.29%0.08636%0.359CS..Hα-helixtrans-55.1-52.1176.9179.7-101.5000111.7L137 V148 D152 L153 R158 Q159 E160 V161 V171 D172L137-Y156 HydrophobicContact CD1-CD1 4.35Å; L137-Y156 HydrophobicContact CD1-CE1 4.19Å; V148-Y156 HydrophobicContact CB-CD1 4.47Å; V148-Y156 HydrophobicContact CB-CD2 3.9Å; V148-Y156 HydrophobicContact CB-CE2 4.19Å; V148-Y156 HydrophobicContact CB-CG 4.05Å; V148-Y156 HydrophobicContact CG1-CD1 3.88Å; V148-Y156 HydrophobicContact CG1-CD2 4.04Å; V148-Y156 HydrophobicContact CG1-CE1 3.86Å; V148-Y156 HydrophobicContact CG1-CE2 4.03Å; V148-Y156 HydrophobicContact CG1-CG 3.97Å; V148-Y156 HydrophobicContact CG2-CG 4.29Å; D152-Y156 PolarHBondContact O-N 3.08Å; L153-Y156 PolarHBondContact O-N 2.95Å; Y156-R158 VanDerWaalsContact C-N 3.32Å; Y156-R158 PolarHBondContact O-N 3.4Å; Y156-Q159 PolarHBondContact O-N 3.19Å; Y156-E160 HydrophobicContact CD2-CB 4.12Å; Y156-E160 HydrophobicContact CD2-CG 3.8Å; Y156-E160 HydrophobicContact CE2-CB 3.8Å; Y156-E160 HydrophobicContact CE2-CG 3.72Å; Y156-E160 WeakPolarHBondContact O-CB 3.37Å; Y156-E160 PolarHBondContact O-N 2.76Å; Y156-V161 HydrophobicContact CD1-CG2 3.93Å; Y156-V161 HydrophobicContact CE1-CG2 3.57Å; Y156-V171 HydrophobicContact CE1-CG1 3.78Å; Y156-V171 WeakPolarHBondContact OH-CG1 3.36Å; Y156-D172 WeakPolarHBondContact CE1-OD1 3.48Å; Y156-D172 PolarHBondContact OH-OD1 2.78Å
157C97.7Very high95.4Very high0 Ų070.2 Ų70.20%036%0.356CS..Iπ-helixtrans-57-44.5-179.1-72.60000112.4S134 L153 V155 Q159 V161 E162S134-C157 VanDerWaalsContact OG-CB 3.28Å; S134-C157 WeakPolarHBondContact OG-CB 3.4Å; L153-C157 VanDerWaalsContact O-CB 3.29Å; L153-C157 WeakPolarHBondContact O-CB 3.2Å; L153-C157 PolarHBondContact O-N 3.31Å; L153-C157 PolarHBondContact O-SG 3.02Å; V155-C157 PolarHBondContact O-N 3.45Å; C157-Q159 VanDerWaalsContact C-N 3.33Å; C157-Q159 PolarHBondContact O-N 2.79Å; C157-V161 WeakPolarHBondContact O-CB 3.49Å; C157-V161 PolarHBondContact O-N 3.37Å; C157-V161 VanDerWaalsContact O-N 3.14Å; C157-E162 WeakPolarHBondContact O-CB 3.45Å; C157-E162 WeakPolarHBondContact O-CG 3.33Å; C157-E162 PolarHBondContact O-N 2.92Å
158R97Very high95.3Very high146 Ų14665.1 Ų65.155%0.55134%0.335SS*.Iπ-helixtrans-69.8-27.2-178.7-75.5172.1173.1-171.6-7114.3K154 V155 Y156 V163K154-R158 VanDerWaalsContact CE-NH2 3.27Å; K154-R158 WeakPolarHBondContact O-CB 3.5Å; K154-R158 WeakPolarHBondContact O-CD 3.36Å; K154-R158 VanDerWaalsContact O-CG 3.26Å; K154-R158 WeakPolarHBondContact O-CG 3.44Å; K154-R158 PolarHBondContact O-N 2.69Å; V155-R158 PolarHBondContact O-N 3.35Å; Y156-R158 VanDerWaalsContact C-N 3.32Å; Y156-R158 PolarHBondContact O-N 3.4Å; R158-V163 VanDerWaalsContact O-CG2 3.29Å; R158-V163 WeakPolarHBondContact O-CG2 3.42Å
159Q96.1Very high95.2Very high113 Ų11369 Ų6953%0.52836%0.355SS..Iπ-helixtrans-97.9-40.4-173.5-68.9-179-19.800112V155 Y156 C157 V163V155-Q159 WeakPolarHBondContact O-CB 3.46Å; V155-Q159 WeakPolarHBondContact O-CG 3.48Å; V155-Q159 PolarHBondContact O-N 3.09Å; V155-Q159 VanDerWaalsContact O-N 3.15Å; Y156-Q159 PolarHBondContact O-N 3.19Å; C157-Q159 VanDerWaalsContact C-N 3.33Å; C157-Q159 PolarHBondContact O-N 2.79Å; Q159-V163 WeakPolarHBondContact O-CG2 3.17Å
160E96.7Very high95.3Very high74 Ų7464.2 Ų64.235%0.34633%0.332SS..Iπ-helixtrans-107.3-32.7-170.6-53.9-55.6142.500112.3Y156 M166Y156-E160 HydrophobicContact CD2-CB 4.12Å; Y156-E160 HydrophobicContact CD2-CG 3.8Å; Y156-E160 HydrophobicContact CE2-CB 3.8Å; Y156-E160 HydrophobicContact CE2-CG 3.72Å; Y156-E160 WeakPolarHBondContact O-CB 3.37Å; Y156-E160 PolarHBondContact O-N 2.76Å; E160-M166 WeakPolarHBondContact O-CB 3.28Å; E160-M166 WeakPolarHBondContact OE2-CE 3.49Å
161V97.9Very high95.5Very high0 Ų063 Ų630%032%0.322CS..Iπ-helixtrans-98-54-170.9-173.40000112.4R130 T133 L137 Y156 C157 V163 D172R130-V161 WeakPolarHBondContact CB-O 3.39Å; R130-V161 VanDerWaalsContact CD-O 3.26Å; R130-V161 WeakPolarHBondContact CD-O 3.33Å; R130-V161 WeakPolarHBondContact CG-O 3.24Å; R130-V161 PolarHBondContact NH1-O 2.83Å; T133-V161 HydrophobicContact CG2-CG1 3.79Å; L137-V161 HydrophobicContact CD1-CG2 3.86Å; Y156-V161 HydrophobicContact CD1-CG2 3.93Å; Y156-V161 HydrophobicContact CE1-CG2 3.57Å; C157-V161 WeakPolarHBondContact O-CB 3.49Å; C157-V161 PolarHBondContact O-N 3.37Å; C157-V161 VanDerWaalsContact O-N 3.14Å; V161-V163 VanDerWaalsContact C-N 3.3Å; V161-V163 PolarHBondContact O-N 3.43Å; V161-D172 VanDerWaalsContact CG2-OD1 3.32Å; V161-D172 WeakPolarHBondContact CG2-OD1 3.32Å
162E98.1Very high95.8Very high47 Ų4757.5 Ų57.522%0.2229%0.286CS..SBendtrans-71.5-24.3-173.5-68.3171.4-158.100112.8L131 S134 C157 M164L131-E162 HydrophobicContact CD2-CG 4.2Å; S134-E162 PolarHBondContact OG-OE1 3.32Å; C157-E162 WeakPolarHBondContact O-CB 3.45Å; C157-E162 WeakPolarHBondContact O-CG 3.33Å; C157-E162 PolarHBondContact O-N 2.92Å; E162-M164 PolarHBondContact O-N 2.81Å
163V97.8Very high96.1Very high65 Ų6554.5 Ų54.539%0.39427%0.269SS..SBendtrans-74.8125-179.5-178.50000109.7R130 R158 Q159 V161 M166R130-V163 VanDerWaalsContact CZ-O 3.3Å; R130-V163 PolarHBondContact NH1-O 2.98Å; R130-V163 VanDerWaalsContact NH1-O 3.15Å; R158-V163 VanDerWaalsContact O-CG2 3.29Å; R158-V163 WeakPolarHBondContact O-CG2 3.42Å; Q159-V163 WeakPolarHBondContact O-CG2 3.17Å; V161-V163 VanDerWaalsContact C-N 3.3Å; V161-V163 PolarHBondContact O-N 3.43Å; V163-M166 HydrophobicContact CB-CG 3.57Å; V163-M166 HydrophobicContact CG1-CG 3.69Å; V163-M166 HydrophobicContact CG1-SD 4.42Å; V163-M166 WeakPolarHBondContact O-CB 3.44Å; V163-M166 PolarHBondContact O-N 3.14Å
164M98.1Very high96.2Very high58 Ų5855.7 Ų55.729%0.28628%0.276SS..THydrogen-bonded Turntrans-62150.2174.9-67-66.2-71.800111D123 V126 Q127 E162 M166D123-M164 HydrophobicContact CB-CE 4.1Å; V126-M164 HydrophobicContact CB-CE 4.13Å; V126-M164 HydrophobicContact CG1-CE 3.66Å; V126-M164 HydrophobicContact CG1-SD 3.87Å; Q127-M164 HydrophobicContact CB-SD 3.84Å; Q127-M164 HydrophobicContact CG-SD 4.17Å; E162-M164 PolarHBondContact O-N 2.81Å; M164-M166 PolarHBondContact O-N 3.45Å
165A96.2Very high96.4Very high56 Ų5650.9 Ų50.946%0.46326%0.255SS..THydrogen-bonded Turntrans63.87.9-177.900000115.8D42 N44D42-A165 WeakPolarHBondContact O-CA 3.22Å; D42-A165 WeakPolarHBondContact O-CB 3.47Å; N44-A165 PolarHBondContact OD1-N 3.34Å
166M95.6Very high96.4Very high59 Ų5949 Ų4929%0.29124%0.243SC..PPolyproline II helixtrans-77.2134.8167.1-68.1-56.5-68.700110.9R130 E160 V163 M164R130-M166 PolarHBondContact NH1-O 3.46Å; R130-M166 PolarHBondContact NH2-O 3.03Å; E160-M166 WeakPolarHBondContact O-CB 3.28Å; E160-M166 WeakPolarHBondContact OE2-CE 3.49Å; V163-M166 HydrophobicContact CB-CG 3.57Å; V163-M166 HydrophobicContact CG1-CG 3.69Å; V163-M166 HydrophobicContact CG1-SD 4.42Å; V163-M166 WeakPolarHBondContact O-CB 3.44Å; V163-M166 PolarHBondContact O-N 3.14Å; M164-M166 PolarHBondContact O-N 3.45Å
167E92.1Very high96.5Very high123 Ų12348 Ų4858%0.57524%0.239SC*.PPolyproline II helixtrans-60.1147.7175.8-66.2-174.9-177.900110.8
168C91.2Very high96.4Very high16 Ų1651.6 Ų51.611%0.10826%0.257CS..PPolyproline II helixtrans-98120.2-176.9-167.40000109.1F46 Y47 D172F46-C168 HydrophobicContact CB-CB 3.85Å; F46-C168 HydrophobicContact CD1-CB 3.85Å; F46-C168 WeakPolarHBondContact CD1-SG 3.24Å; F46-C168 HydrophobicContact CG-CB 4.01Å; Y47-C168 HydrophobicContact CE2-CB 4.1Å; C168-D172 WeakPolarHBondContact SG-CB 3.29Å
169D92.4Very high96.3Very high104 Ų10446.5 Ų46.556%0.55625%0.245SC*.PPolyproline II helixtrans-91.4168.5178.4-158.6-3.4000111.1V171 D172 I173D169-V171 PolarHBondContact O-N 3.41Å; D169-V171 VanDerWaalsContact O-N 3.13Å; D169-D172 PolarHBondContact N-OD2 2.94Å; D169-D172 WeakPolarHBondContact O-CB 3.41Å; D169-D172 PolarHBondContact O-N 2.9Å; D169-I173 WeakPolarHBondContact O-CG1 3.47Å; D169-I173 PolarHBondContact O-N 3.16Å; D169-I173 VanDerWaalsContact O-N 3.07Å
170H94.3Very high96.2Very high104 Ų10441.7 Ų41.748%0.48122%0.223SC..Hα-helixtrans-53.5-36.9-177.1-178.5-91.2000113.3D172 I173 L174H170-D172 VanDerWaalsContact C-N 3.35Å; H170-I173 PolarHBondContact O-N 3.15Å; H170-L174 WeakPolarHBondContact O-CB 3.41Å; H170-L174 PolarHBondContact O-N 3.36Å
171V96.8Very high96.1Very high10 Ų1044.2 Ų44.26%0.06124%0.239CC..Hα-helixtrans-64.1-39.8178.971.10000111.9L137 F144 F147 V148 Y156 D169 A175L137-V171 HydrophobicContact CD2-CG2 3.93Å; F144-V171 HydrophobicContact CD1-CG2 3.65Å; F144-V171 HydrophobicContact CE1-CG2 4.27Å; F147-V171 HydrophobicContact CB-CG2 4.1Å; V148-V171 HydrophobicContact CG1-CB 4.46Å; V148-V171 HydrophobicContact CG1-CG1 4Å; V148-V171 HydrophobicContact CG1-CG2 4.04Å; Y156-V171 HydrophobicContact CE1-CG1 3.78Å; Y156-V171 WeakPolarHBondContact OH-CG1 3.36Å; D169-V171 PolarHBondContact O-N 3.41Å; D169-V171 VanDerWaalsContact O-N 3.13Å; V171-A175 WeakPolarHBondContact O-CB 3.26Å; V171-A175 PolarHBondContact O-N 2.9Å
172D97.6Very high96Very high1 Ų144.4 Ų44.41%0.00524%0.24CC..Hα-helixtrans-69-43.3177.5-54.2-26.8000110.8T133 Y156 V161 C168 D169 H170 L174 A175 L176T133-D172 HydrophobicContact CG2-CB 4.08Å; T133-D172 WeakPolarHBondContact CG2-O 3.25Å; Y156-D172 WeakPolarHBondContact CE1-OD1 3.48Å; Y156-D172 PolarHBondContact OH-OD1 2.78Å; V161-D172 VanDerWaalsContact CG2-OD1 3.32Å; V161-D172 WeakPolarHBondContact CG2-OD1 3.32Å; C168-D172 WeakPolarHBondContact SG-CB 3.29Å; D169-D172 PolarHBondContact N-OD2 2.94Å; D169-D172 WeakPolarHBondContact O-CB 3.41Å; D169-D172 PolarHBondContact O-N 2.9Å; H170-D172 VanDerWaalsContact C-N 3.35Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 PolarHBondContact O-N 3.41Å; D172-A175 PolarHBondContact O-N 3.08Å; D172-L176 WeakPolarHBondContact O-CB 3.46Å; D172-L176 PolarHBondContact O-N 3.22Å
173I98.1Very high95.9Very high3 Ų342.7 Ų42.72%0.01524%0.235CC..Hα-helixtrans-59.9-46.2178.3-63.4172.5000109.8F46 D169 H170 S177 I184 I186 I201 Y218F46-I173 HydrophobicContact CD1-CG1 4.33Å; F46-I173 HydrophobicContact CD2-CD1 4.38Å; F46-I173 HydrophobicContact CD2-CG1 4.09Å; F46-I173 HydrophobicContact CE1-CB 4.41Å; F46-I173 HydrophobicContact CE1-CG1 3.94Å; F46-I173 HydrophobicContact CE2-CB 4.21Å; F46-I173 HydrophobicContact CE2-CD1 4.26Å; F46-I173 HydrophobicContact CE2-CG1 3.71Å; F46-I173 HydrophobicContact CE2-CG2 3.79Å; F46-I173 HydrophobicContact CG-CG1 4.39Å; F46-I173 HydrophobicContact CZ-CB 3.87Å; F46-I173 HydrophobicContact CZ-CG1 3.64Å; F46-I173 HydrophobicContact CZ-CG2 3.69Å; D169-I173 WeakPolarHBondContact O-CG1 3.47Å; D169-I173 PolarHBondContact O-N 3.16Å; D169-I173 VanDerWaalsContact O-N 3.07Å; H170-I173 PolarHBondContact O-N 3.15Å; I173-S177 WeakPolarHBondContact O-CB 3.16Å; I173-S177 PolarHBondContact O-N 2.86Å; I173-I184 HydrophobicContact CG2-CD1 3.96Å; I173-I186 HydrophobicContact CD1-CD1 3.9Å; I173-I186 HydrophobicContact CG2-CD1 4.01Å; I173-I201 HydrophobicContact CB-CD1 4.45Å; I173-I201 HydrophobicContact CG2-CD1 3.62Å; I173-I201 HydrophobicContact CG2-CG2 4.33Å; I173-Y218 VanDerWaalsContact CD1-OH 3.26Å; I173-Y218 WeakPolarHBondContact CD1-OH 3.43Å
174L98.1Very high96Very high27 Ų2739.6 Ų39.614%0.14122%0.216CC..Hα-helixtrans-63.2-46176.5177.161.2000111.5F143 F144 H170 D172 S177 Q178 I201 P202F143-L174 HydrophobicContact CE1-CD2 4.11Å; F143-L174 HydrophobicContact CZ-CD2 4.47Å; F144-L174 HydrophobicContact CE1-CD2 4.05Å; F144-L174 HydrophobicContact CE1-CG 4.22Å; H170-L174 WeakPolarHBondContact O-CB 3.41Å; H170-L174 PolarHBondContact O-N 3.36Å; D172-L174 VanDerWaalsContact C-N 3.32Å; D172-L174 PolarHBondContact O-N 3.41Å; L174-S177 PolarHBondContact O-N 2.78Å; L174-Q178 HydrophobicContact CD1-CG 4.21Å; L174-Q178 WeakPolarHBondContact O-CG 3.1Å; L174-Q178 PolarHBondContact O-N 3.26Å; L174-I201 HydrophobicContact CB-CG2 4.11Å; L174-I201 HydrophobicContact CD1-CG2 3.8Å; L174-P202 HydrophobicContact CD1-CB 4.21Å; L174-P202 HydrophobicContact CD1-CG 4.34Å
175A98.1Very high96Very high0 Ų037.6 Ų37.60%021%0.206CC..Hα-helixtrans-62.4-46.5179.900000112T133 H136 L137 F144 V171 D172 Q178 A179T133-A175 HydrophobicContact CG2-CB 3.98Å; H136-A175 PolarHBondContact CD2-O 3.39Å; L137-A175 HydrophobicContact CD2-CB 3.57Å; L137-A175 HydrophobicContact CG-CB 3.68Å; F144-A175 HydrophobicContact CE1-CB 4.24Å; F144-A175 HydrophobicContact CZ-CB 4.03Å; V171-A175 WeakPolarHBondContact O-CB 3.26Å; V171-A175 PolarHBondContact O-N 2.9Å; D172-A175 PolarHBondContact O-N 3.08Å; A175-Q178 PolarHBondContact O-N 3.24Å; A175-A179 WeakPolarHBondContact O-CB 3.25Å; A175-A179 PolarHBondContact O-N 3.19Å
176L98.1Very high96.1Very high0 Ų035.4 Ų35.40%019%0.187CC..Hα-helixtrans-66.4-41.1177.7-175.461.6000112F46 Y47 I50 L129 T133 D172 Q178 A179 L180F46-L176 HydrophobicContact CD1-CD2 4.45Å; F46-L176 HydrophobicContact CE1-CB 4.45Å; F46-L176 HydrophobicContact CE1-CD2 3.64Å; F46-L176 HydrophobicContact CZ-CD2 4.28Å; Y47-L176 HydrophobicContact CD1-CD2 3.66Å; Y47-L176 HydrophobicContact CE1-CD2 3.84Å; I50-L176 HydrophobicContact CD1-CD2 4.13Å; I50-L176 HydrophobicContact CD1-CG 4.38Å; I50-L176 HydrophobicContact CG2-CD2 3.8Å; L129-L176 HydrophobicContact CB-CD1 4.27Å; L129-L176 HydrophobicContact CD2-CD1 4.31Å; T133-L176 HydrophobicContact CG2-CB 4.38Å; T133-L176 WeakPolarHBondContact OG1-CD1 3.08Å; D172-L176 WeakPolarHBondContact O-CB 3.46Å; D172-L176 PolarHBondContact O-N 3.22Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.17Å; L176-A179 PolarHBondContact O-N 2.87Å; L176-L180 HydrophobicContact CD1-CD1 3.76Å; L176-L180 HydrophobicContact CD1-CG 3.85Å; L176-L180 HydrophobicContact CD2-CD1 4.44Å; L176-L180 HydrophobicContact CG-CD1 3.9Å; L176-L180 HydrophobicContact CG-CG 4.29Å; L176-L180 WeakPolarHBondContact O-CB 3.39Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.25Å
177S97.7Very high96.1Very high1 Ų132.6 Ų32.61%0.00717%0.173CC..Hα-helixtrans-55.9-46.8175.5170.50000111.6I173 L174 D181 V182 I201 P202I173-S177 WeakPolarHBondContact O-CB 3.16Å; I173-S177 PolarHBondContact O-N 2.86Å; L174-S177 PolarHBondContact O-N 2.78Å; S177-D181 WeakPolarHBondContact O-CA 3.43Å; S177-D181 PolarHBondContact O-N 3.43Å; S177-V182 PolarHBondContact O-N 2.93Å; S177-V182 PolarHBondContact OG-O 2.96Å; S177-I201 PolarHBondContact OG-O 2.88Å; S177-P202 VanDerWaalsContact OG-CD 3.25Å; S177-P202 WeakPolarHBondContact OG-CD 3.46Å
178Q96.2Very high96.3Very high77 Ų7727.2 Ų27.236%0.3615%0.149SC..Hα-helixtrans-67.5-42.2176.4-71.6179.1-5.800112.3H136 L174 A175 L176 L180 D181 P202H136-Q178 WeakPolarHBondContact NE2-CB 3.32Å; H136-Q178 PolarHBondContact NE2-OE1 2.86Å; L174-Q178 HydrophobicContact CD1-CG 4.21Å; L174-Q178 WeakPolarHBondContact O-CG 3.1Å; L174-Q178 PolarHBondContact O-N 3.26Å; A175-Q178 PolarHBondContact O-N 3.24Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.17Å; Q178-L180 VanDerWaalsContact C-N 3.3Å; Q178-L180 PolarHBondContact O-N 3.41Å; Q178-D181 PolarHBondContact O-N 3.48Å; Q178-P202 HydrophobicContact CG-CG 4.35Å
179A95.6Very high96.3Very high38 Ų3827.4 Ų27.431%0.31415%0.148SC..Hα-helixtrans-63.5-35.1179.500000112.8H136 A175 L176H136-A179 HydrophobicContact CB-CB 4.02Å; A175-A179 WeakPolarHBondContact O-CB 3.25Å; A175-A179 PolarHBondContact O-N 3.19Å; L176-A179 PolarHBondContact O-N 2.87Å
180L93.9Very high96.1Very high12 Ų1226.3 Ų26.36%0.06314%0.14CC..Hα-helixtrans-91-12.9179-64.4-178.4000113.9I50 F68 L129 L132 L176 Q178 V182I50-L180 HydrophobicContact CD1-CD1 4.39Å; F68-L180 HydrophobicContact CE2-CD2 4.46Å; L129-L180 HydrophobicContact CD2-CD1 4.36Å; L129-L180 HydrophobicContact CD2-CD2 4.31Å; L132-L180 HydrophobicContact CD1-CD2 4.48Å; L176-L180 HydrophobicContact CD1-CD1 3.76Å; L176-L180 HydrophobicContact CD1-CG 3.85Å; L176-L180 HydrophobicContact CD2-CD1 4.44Å; L176-L180 HydrophobicContact CG-CD1 3.9Å; L176-L180 HydrophobicContact CG-CG 4.29Å; L176-L180 WeakPolarHBondContact O-CB 3.39Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.25Å; Q178-L180 VanDerWaalsContact C-N 3.3Å; Q178-L180 PolarHBondContact O-N 3.41Å; L180-V182 HydrophobicContact CB-CB 4.38Å; L180-V182 HydrophobicContact CB-CG2 3.79Å
181D93.9Very high95.5Very high127 Ų12723.8 Ų23.868%0.67914%0.142SC*.THydrogen-bonded Turntrans56.853.6-170.7-17439.8000111.3R71 S177 Q178R71-D181 IonicContact NH1-OD2 3.93Å; S177-D181 WeakPolarHBondContact O-CA 3.43Å; S177-D181 PolarHBondContact O-N 3.43Å; Q178-D181 PolarHBondContact O-N 3.48Å
182V95.6Very high94.4Very high4 Ų431.6 Ų31.62%0.02418%0.183CC..  trans-128.1120.7-177178.40000110.4H54 S177 L180 I184 V209H54-V182 VanDerWaalsContact CE1-CG2 3.42Å; H54-V182 WeakPolarHBondContact CE1-CG2 3.42Å; H54-V182 VanDerWaalsContact ND1-CG2 3.35Å; H54-V182 WeakPolarHBondContact ND1-CG2 3.34Å; S177-V182 PolarHBondContact O-N 2.93Å; S177-V182 PolarHBondContact OG-O 2.96Å; L180-V182 HydrophobicContact CB-CB 4.38Å; L180-V182 HydrophobicContact CB-CG2 3.79Å; V182-I184 HydrophobicContact CG1-CG1 4.44Å; V182-V209 HydrophobicContact CG1-CB 4.29Å; V182-V209 HydrophobicContact CG1-CG2 3.75Å
183G97.7Very high93.4Very high11 Ų1137.6 Ų37.611%0.11321%0.211CC..  trans-77126.5170.300000111.6P207 S208 V209G183-P207 WeakPolarHBondContact O-CA 3.27Å; G183-S208 PolarHBondContact O-N 3.5Å; G183-V209 PolarHBondContact O-N 3.38Å; G183-V209 VanDerWaalsContact O-N 3.16Å
184I98.3Very high92.6Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-115134.2-175.7-48.2171.6000109.1F46 I50 I173 V182 I186 V200 I201 V209 L211F46-I184 HydrophobicContact CE2-CD1 4.25Å; F46-I184 HydrophobicContact CZ-CD1 4.06Å; I50-I184 HydrophobicContact CD1-CD1 3.4Å; I50-I184 VanDerWaalsContact CD1-CD1 3.4Å; I50-I184 HydrophobicContact CD1-CG1 4.05Å; I50-I184 HydrophobicContact CG1-CD1 4.34Å; I173-I184 HydrophobicContact CG2-CD1 3.96Å; V182-I184 HydrophobicContact CG1-CG1 4.44Å; I184-I186 HydrophobicContact CG2-CD1 4.49Å; I184-I186 HydrophobicContact CG2-CG1 3.92Å; I184-V200 CarbonylContact O-C 3.55Å; I184-V200 WeakPolarHBondContact O-CA 3.36Å; I184-I201 PolarHBondContact N-O 3.39Å; I184-I201 PolarHBondContact O-N 2.99Å; I184-V209 CarbonylContact C-O 3.49Å; I184-V209 WeakPolarHBondContact CA-O 3.37Å; I184-L211 HydrophobicContact CG2-CD1 3.97Å; I184-L211 HydrophobicContact CG2-CG 4.26Å
185H98.3Very high92Very high17 Ų1750.2 Ų50.28%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-111.3114169.4176.1-147.2000109.3F33 V187 H198 H199 P207 V209 H210 L211F33-H185 AromaticContact CZ-CE1 3.88Å; H185-V187 VanDerWaalsContact CE1-CG2 3.43Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.32Å; H185-H198 AromaticContact CE1-ND1 3.36Å; H185-H198 PolarHBondContact CE1-ND1 2.97Å; H185-H198 AromaticContact NE2-CE1 3.88Å; H185-H198 AromaticContact NE2-CG 3.67Å; H185-H198 AromaticContact NE2-ND1 2.83Å; H185-H198 PolarHBondContact NE2-ND1 2.92Å; H185-H199 CarbonylContact C-O 3.6Å; H185-H199 WeakPolarHBondContact CA-O 3.4Å; H185-P207 HydrophobicContact CB-CB 3.69Å; H185-P207 HydrophobicContact CB-CG 3.74Å; H185-V209 PolarHBondContact N-O 3.2Å; H185-H210 HydrophobicContact CB-CB 4.43Å; H185-H210 VanDerWaalsContact CB-ND1 3.31Å; H185-H210 WeakPolarHBondContact CB-ND1 3.44Å; H185-H210 AromaticContact CG-ND1 3.66Å; H185-H210 AromaticContact ND1-ND1 3.24Å; H185-H210 PolarHBondContact ND1-ND1 3.05Å; H185-H210 CarbonylContact O-C 3.58Å; H185-H210 VanDerWaalsContact O-CA 3.32Å; H185-H210 WeakPolarHBondContact O-CA 3.49Å; H185-L211 PolarHBondContact O-N 3.41Å
186I98.1Very high91.8Very high9 Ų950.8 Ų50.85%0.04627%0.273CS..EExtended strand (participates in β ladder)trans-101.8120.3176-58173.3000108.5I173 I184 H199 I201 L211 Y218I173-I186 HydrophobicContact CD1-CD1 3.9Å; I173-I186 HydrophobicContact CG2-CD1 4.01Å; I184-I186 HydrophobicContact CG2-CD1 4.49Å; I184-I186 HydrophobicContact CG2-CG1 3.92Å; I186-H199 HydrophobicContact CB-CB 4.32Å; I186-H199 PolarHBondContact N-O 3.38Å; I186-H199 PolarHBondContact O-N 3.05Å; I186-I201 HydrophobicContact CD1-CD1 3.96Å; I186-L211 WeakPolarHBondContact CA-O 3.36Å; I186-Y218 HydrophobicContact CD1-CE1 4.08Å; I186-Y218 HydrophobicContact CG1-CE1 4.43Å; I186-Y218 HydrophobicContact CG2-CE1 4.04Å
187V97.2Very high91.6Very high0 Ų053 Ų530%029%0.286CS..EExtended strand (participates in β ladder)trans-99.7111.9173-176.80000107.7L29 F33 H185 L196 L211 L212 Y213 L221L29-V187 HydrophobicContact CD1-CG1 3.92Å; F33-V187 HydrophobicContact CE2-CG2 3.74Å; F33-V187 HydrophobicContact CZ-CG2 3.6Å; H185-V187 VanDerWaalsContact CE1-CG2 3.43Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.32Å; V187-L196 HydrophobicContact CG1-CB 4.15Å; V187-L196 HydrophobicContact CG1-CD1 3.9Å; V187-L196 HydrophobicContact CG1-CD2 3.99Å; V187-L196 HydrophobicContact CG1-CG 4.24Å; V187-L211 PolarHBondContact N-O 3.36Å; V187-L212 CarbonylContact O-C 3.49Å; V187-L212 WeakPolarHBondContact O-CA 3.32Å; V187-Y213 PolarHBondContact O-N 3.05Å; V187-L221 HydrophobicContact CB-CD1 3.91Å; V187-L221 HydrophobicContact CG2-CD1 3.88Å
188S95.4Very high91.5Very high11 Ų1156.5 Ų56.58%0.07730%0.302CS..EExtended strand (participates in β ladder)trans-95.1126.7-177.8-178.60000111.6E190 V197S188-E190 VanDerWaalsContact C-N 3.3Å; S188-E190 WeakPolarHBondContact OG-CB 3.45Å; S188-E190 PolarHBondContact OG-N 3.47Å; S188-V197 PolarHBondContact N-O 3.06Å; S188-V197 PolarHBondContact O-N 3.15Å
189M92.1Very high91.5Very high19 Ų1956.9 Ų56.99%0.09430%0.304CS..  trans-82.3-12.1169.4-68.6-67.2-67.600112.1K25 Y26 L29 L196 L212 Y213 Q214K25-M189 HydrophobicContact CB-CE 4.04Å; K25-M189 HydrophobicContact CB-SD 4.24Å; K25-M189 PolarHBondContact NZ-O 3.4Å; Y26-M189 HydrophobicContact CD1-CE 3.58Å; Y26-M189 HydrophobicContact CD2-CE 4.17Å; Y26-M189 HydrophobicContact CE1-CE 3.33Å; Y26-M189 HydrophobicContact CE2-CE 3.91Å; Y26-M189 HydrophobicContact CG-CE 3.97Å; Y26-M189 VanDerWaalsContact CZ-CE 3.48Å; L29-M189 HydrophobicContact CD2-SD 4.33Å; M189-L196 HydrophobicContact SD-CD2 3.45Å; M189-L196 WeakPolarHBondContact SD-CD2 3.49Å; M189-L212 HydrophobicContact CG-CD1 3.59Å; M189-L212 HydrophobicContact CG-CG 4.37Å; M189-L212 HydrophobicContact SD-CD1 4.29Å; M189-Y213 PolarHBondContact N-O 2.9Å; M189-Q214 HydrophobicContact CB-CB 3.95Å; M189-Q214 HydrophobicContact CB-CG 3.97Å; M189-Q214 HydrophobicContact CG-CB 4.16Å; M189-Q214 HydrophobicContact CG-CG 4.38Å
190E88Confident91.6Very high82 Ų8257.5 Ų57.538%0.38330%0.303SS..  trans-70.2160.5-177.5-63.9-55.2136.500112.9K25 S188 Y213 A215K25-E190 PolarHBondContact NZ-O 3.18Å; S188-E190 VanDerWaalsContact C-N 3.3Å; S188-E190 WeakPolarHBondContact OG-CB 3.45Å; S188-E190 PolarHBondContact OG-N 3.47Å; E190-Y213 HydrophobicContact CG-CD1 3.91Å; E190-Y213 HydrophobicContact CG-CE1 3.67Å; E190-A215 WeakPolarHBondContact OE1-CA 3.48Å; E190-A215 PolarHBondContact OE1-N 3.3Å
191G81.6Confident91.8Very high50 Ų5057.1 Ų57.152%0.51530%0.301SS..SBendtrans88.6159.4-179.900000114.3K25 E193K25-G191 PolarHBondContact NZ-O 3.49Å; G191-E193 VanDerWaalsContact C-N 3.29Å; G191-E193 PolarHBondContact O-N 2.84Å
192N73.8Confident91.8Very high175 Ų17552.7 Ų52.794%0.93628%0.28SS*.SBendtrans-85.20.7-173.2-65.9-25.1000114.2
193E75.4Confident91.8Very high127 Ų12761.3 Ų61.359%0.59332%0.319SS*.SBendtrans-69.3154.9179.8-60.8-174.5173.400110.9K25 G191 Q195K25-E193 WeakPolarHBondContact CE-O 3.43Å; G191-E193 VanDerWaalsContact C-N 3.29Å; G191-E193 PolarHBondContact O-N 2.84Å; E193-Q195 PolarHBondContact O-N 3.08Å
194Q81.9Confident91.5Very high153 Ų15365 Ų6572%0.71536%0.357SS*.SBendtrans-81.7-5.2174.9-67.4-175.2-10.900112.6P24P24-Q194 HydrophobicContact CB-CB 4.38Å; P24-Q194 HydrophobicContact CG-CB 4.46Å
195Q86.1Confident91.3Very high141 Ų14167.8 Ų67.866%0.65938%0.375SS*.SBendtrans-109.7154.1-176.3-66-179.6-10.500111K25 E193K25-Q195 VanDerWaalsContact CE-O 3.23Å; K25-Q195 WeakPolarHBondContact CE-O 3.44Å; E193-Q195 PolarHBondContact O-N 3.08Å
196L92.6Very high91.1Very high13 Ų1374.5 Ų74.57%0.06841%0.411CS..  trans-71.3140.6171.3-66.6171.5000109.8K25 D28 L29 V187 M189 H198K25-L196 HydrophobicContact CB-CD2 3.93Å; K25-L196 HydrophobicContact CB-CG 4.48Å; K25-L196 HydrophobicContact CD-CD2 4.31Å; K25-L196 HydrophobicContact CG-CD2 4.36Å; D28-L196 HydrophobicContact CB-CD1 4.04Å; D28-L196 HydrophobicContact CB-CG 4.4Å; L29-L196 HydrophobicContact CB-CD1 4.03Å; L29-L196 HydrophobicContact CD1-CD1 4.14Å; V187-L196 HydrophobicContact CG1-CB 4.15Å; V187-L196 HydrophobicContact CG1-CD1 3.9Å; V187-L196 HydrophobicContact CG1-CD2 3.99Å; V187-L196 HydrophobicContact CG1-CG 4.24Å; M189-L196 HydrophobicContact SD-CD2 3.45Å; M189-L196 WeakPolarHBondContact SD-CD2 3.49Å; L196-H198 PolarHBondContact O-CD2 3.28Å
197V94.3Very high91Very high46 Ų4675.1 Ų75.128%0.27942%0.416SS..EExtended strand (participates in β ladder)trans-95.5132.2171.1-174.90000108.2S188 H199S188-V197 PolarHBondContact N-O 3.06Å; S188-V197 PolarHBondContact O-N 3.15Å; V197-H199 VanDerWaalsContact CG1-NE2 3.31Å; V197-H199 WeakPolarHBondContact CG1-NE2 3.19Å
198H95.4Very high90.9Very high74 Ų7477.5 Ų77.534%0.34343%0.432SS..EExtended strand (participates in β ladder)trans-116.6126.1-176-67.2-93.9000110Q32 H185 L196Q32-H198 PolarHBondContact OE1-CE1 3.25Å; H185-H198 AromaticContact CE1-ND1 3.36Å; H185-H198 PolarHBondContact CE1-ND1 2.97Å; H185-H198 AromaticContact NE2-CE1 3.88Å; H185-H198 AromaticContact NE2-CG 3.67Å; H185-H198 AromaticContact NE2-ND1 2.83Å; H185-H198 PolarHBondContact NE2-ND1 2.92Å; L196-H198 PolarHBondContact O-CD2 3.28Å
199H96.4Very high91Very high86 Ų8677.1 Ų77.140%0.39843%0.429SS..EExtended strand (participates in β ladder)trans-119.4129.5174.3-57.7-81000109.4H185 I186 V197H185-H199 CarbonylContact C-O 3.6Å; H185-H199 WeakPolarHBondContact CA-O 3.4Å; I186-H199 HydrophobicContact CB-CB 4.32Å; I186-H199 PolarHBondContact N-O 3.38Å; I186-H199 PolarHBondContact O-N 3.05Å; V197-H199 VanDerWaalsContact CG1-NE2 3.31Å; V197-H199 WeakPolarHBondContact CG1-NE2 3.19Å
200V97.6Very high91.3Very high50 Ų5077.1 Ų77.130%0.30343%0.429SS..EExtended strand (participates in β ladder)trans-113.8124.2174.4178.70000108.1I184 P202 V205 P207I184-V200 CarbonylContact O-C 3.55Å; I184-V200 WeakPolarHBondContact O-CA 3.36Å; V200-P202 CarbonylContact O-C 3.52Å; V200-V205 HydrophobicContact CG1-CG2 4.01Å; V200-P207 HydrophobicContact CG1-CB 4.29Å; V200-P207 HydrophobicContact CG1-CG 4.18Å; V200-P207 HydrophobicContact CG2-CG 4.35Å
201I97.4Very high91.8Very high5 Ų573.2 Ų73.23%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-128.7122.5-173.3-57.9173.5000108.9I173 L174 S177 I184 I186I173-I201 HydrophobicContact CB-CD1 4.45Å; I173-I201 HydrophobicContact CG2-CD1 3.62Å; I173-I201 HydrophobicContact CG2-CG2 4.33Å; L174-I201 HydrophobicContact CB-CG2 4.11Å; L174-I201 HydrophobicContact CD1-CG2 3.8Å; S177-I201 PolarHBondContact OG-O 2.88Å; I184-I201 PolarHBondContact N-O 3.39Å; I184-I201 PolarHBondContact O-N 2.99Å; I186-I201 HydrophobicContact CD1-CD1 3.96Å
202P95.9Very high92.6Very high34 Ų3470.8 Ų70.822%0.22139%0.386CS..SBendcis-69163.1-6.7-15.434000111.6L174 S177 Q178 V200 V205L174-P202 HydrophobicContact CD1-CB 4.21Å; L174-P202 HydrophobicContact CD1-CG 4.34Å; S177-P202 VanDerWaalsContact OG-CD 3.25Å; S177-P202 WeakPolarHBondContact OG-CD 3.46Å; Q178-P202 HydrophobicContact CG-CG 4.35Å; V200-P202 CarbonylContact O-C 3.52Å; P202-V205 HydrophobicContact CB-CG1 4.27Å; P202-V205 HydrophobicContact CG-CG1 4.38Å; P202-V205 VanDerWaalsContact O-CG2 3.28Å; P202-V205 WeakPolarHBondContact O-CG2 3.47Å
203E94.3Very high93.7Very high184 Ų18465.2 Ų65.286%0.8635%0.352SS*.THydrogen-bonded Turntrans-60.8141.4178.2-67-176.3-17800112.1V205E203-V205 VanDerWaalsContact C-N 3.3Å; E203-V205 PolarHBondContact O-N 2.94Å
204G91.8Very high94.6Very high88 Ų8861.9 Ų61.991%0.90734%0.337SS*.THydrogen-bonded Turntrans79.51.7174.500000115.9
205V93.8Very high95Very high60 Ų6058.2 Ų58.236%0.36433%0.333SS..SBendtrans-86159.8172.7-48.80000111.7V200 P202 E203 P207V200-V205 HydrophobicContact CG1-CG2 4.01Å; P202-V205 HydrophobicContact CB-CG1 4.27Å; P202-V205 HydrophobicContact CG-CG1 4.38Å; P202-V205 VanDerWaalsContact O-CG2 3.28Å; P202-V205 WeakPolarHBondContact O-CG2 3.47Å; E203-V205 VanDerWaalsContact C-N 3.3Å; E203-V205 PolarHBondContact O-N 2.94Å; V205-P207 WeakPolarHBondContact O-CD 3.29Å
206D94.9Very high95.2Very high158 Ų15854.1 Ų54.185%0.84532%0.32SS*.  trans-85.7110.2165.8-170.628.2000108.8
207P96.3Very high95.3Very high22 Ų2255.2 Ų55.214%0.14332%0.324CS..  trans-76.1133-172.629.7-33.4000111.4G183 H185 V200 V205 H210G183-P207 WeakPolarHBondContact O-CA 3.27Å; H185-P207 HydrophobicContact CB-CB 3.69Å; H185-P207 HydrophobicContact CB-CG 3.74Å; V200-P207 HydrophobicContact CG1-CB 4.29Å; V200-P207 HydrophobicContact CG1-CG 4.18Å; V200-P207 HydrophobicContact CG2-CG 4.35Å; V205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-H210 PolarHBondContact O-CE1 2.9Å
208S94.8Very high95.5Very high50 Ų5054 Ų5435%0.3532%0.315SS..SBendtrans-100.5-18.3179.164.60000113.6G183G183-S208 PolarHBondContact O-N 3.5Å
209V97.9Very high95.6Very high3 Ų351.1 Ų51.12%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-114.7133.9176.8172.20000108.5A53 H54 V182 G183 I184 H185 L211A53-V209 HydrophobicContact CB-CG1 3.75Å; A53-V209 HydrophobicContact CB-CG2 4.21Å; H54-V209 HydrophobicContact CB-CG2 4.34Å; V182-V209 HydrophobicContact CG1-CB 4.29Å; V182-V209 HydrophobicContact CG1-CG2 3.75Å; G183-V209 PolarHBondContact O-N 3.38Å; G183-V209 VanDerWaalsContact O-N 3.16Å; I184-V209 CarbonylContact C-O 3.49Å; I184-V209 WeakPolarHBondContact CA-O 3.37Å; H185-V209 PolarHBondContact N-O 3.2Å; V209-L211 HydrophobicContact CG1-CD2 3.95Å; V209-L211 HydrophobicContact CG1-CG 4.12Å
210H98.4Very high95.7Very high18 Ų1847.1 Ų47.18%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-121.1128.7178.3-46.7-75.7000110F33 H185 P207 L221 Q223F33-H210 HydrophobicContact CE1-CB 3.99Å; H185-H210 HydrophobicContact CB-CB 4.43Å; H185-H210 VanDerWaalsContact CB-ND1 3.31Å; H185-H210 WeakPolarHBondContact CB-ND1 3.44Å; H185-H210 AromaticContact CG-ND1 3.66Å; H185-H210 AromaticContact ND1-ND1 3.24Å; H185-H210 PolarHBondContact ND1-ND1 3.05Å; H185-H210 CarbonylContact O-C 3.58Å; H185-H210 VanDerWaalsContact O-CA 3.32Å; H185-H210 WeakPolarHBondContact O-CA 3.49Å; P207-H210 PolarHBondContact O-CE1 2.9Å; H210-L221 HydrophobicContact CB-CB 4.02Å; H210-L221 PolarHBondContact O-N 3.18Å; H210-Q223 VanDerWaalsContact CE1-CD 3.41Å; H210-Q223 PolarHBondContact CE1-NE2 2.74Å; H210-Q223 PolarHBondContact NE2-NE2 2.89Å; H210-Q223 PolarHBondContact NE2-OE1 3.18Å
211L98.5Very high95.8Very high0 Ų045 Ų450%027%0.27CS..EExtended strand (participates in β ladder)trans-123.9143.4-178-56.1-179.6000110F46 A49 I184 H185 I186 V187 V209 Y218 N219 I220F46-L211 HydrophobicContact CD2-CD1 3.93Å; F46-L211 HydrophobicContact CE2-CD1 3.93Å; A49-L211 HydrophobicContact CB-CD2 3.82Å; I184-L211 HydrophobicContact CG2-CD1 3.97Å; I184-L211 HydrophobicContact CG2-CG 4.26Å; H185-L211 PolarHBondContact O-N 3.41Å; I186-L211 WeakPolarHBondContact CA-O 3.36Å; V187-L211 PolarHBondContact N-O 3.36Å; V209-L211 HydrophobicContact CG1-CD2 3.95Å; V209-L211 HydrophobicContact CG1-CG 4.12Å; L211-Y218 HydrophobicContact CB-CD1 4.16Å; L211-Y218 HydrophobicContact CD1-CD1 4.2Å; L211-N219 CarbonylContact C-O 3.4Å; L211-N219 WeakPolarHBondContact CA-O 3.45Å; L211-I220 HydrophobicContact CD2-CG1 4.26Å
212L97.9Very high95.8Very high0 Ų046.9 Ų46.90%028%0.277CS..EExtended strand (participates in β ladder)trans-94.7128.6168.1-178.270.5000108.5L16 L29 V187 M189 Y218 N219 L221L16-L212 HydrophobicContact CD1-CD2 3.48Å; L16-L212 VanDerWaalsContact CD1-CD2 3.48Å; L29-L212 HydrophobicContact CD1-CD1 3.94Å; L29-L212 HydrophobicContact CD2-CD1 4.04Å; L29-L212 HydrophobicContact CD2-CD2 4.49Å; V187-L212 CarbonylContact O-C 3.49Å; V187-L212 WeakPolarHBondContact O-CA 3.32Å; M189-L212 HydrophobicContact CG-CD1 3.59Å; M189-L212 HydrophobicContact CG-CG 4.37Å; M189-L212 HydrophobicContact SD-CD1 4.29Å; L212-Y218 CarbonylContact O-C 3.58Å; L212-Y218 VanDerWaalsContact O-CA 3.26Å; L212-Y218 WeakPolarHBondContact O-CA 3.45Å; L212-N219 HydrophobicContact CB-CB 4.26Å; L212-N219 PolarHBondContact N-O 3.4Å; L212-N219 PolarHBondContact O-N 3.03Å; L212-L221 HydrophobicContact CB-CD1 3.8Å; L212-L221 HydrophobicContact CB-CD2 3.97Å; L212-L221 HydrophobicContact CB-CG 3.74Å; L212-L221 HydrophobicContact CD1-CD1 4.26Å
213Y96.9Very high95.7Very high58 Ų5850.4 Ų50.423%0.22729%0.291CS..EExtended strand (participates in β ladder)trans-107.3120.7169.8-179.1-109000110.4V187 M189 E190 H217 Y218V187-Y213 PolarHBondContact O-N 3.05Å; M189-Y213 PolarHBondContact N-O 2.9Å; E190-Y213 HydrophobicContact CG-CD1 3.91Å; E190-Y213 HydrophobicContact CG-CE1 3.67Å; Y213-H217 WeakPolarHBondContact CA-O 3.26Å; Y213-Y218 HydrophobicContact CD2-CD1 4.11Å; Y213-Y218 HydrophobicContact CD2-CD2 4.15Å; Y213-Y218 AromaticContact CD2-CE1 3.62Å; Y213-Y218 HydrophobicContact CD2-CE1 3.62Å; Y213-Y218 AromaticContact CD2-CE2 3.67Å; Y213-Y218 HydrophobicContact CD2-CE2 3.67Å; Y213-Y218 HydrophobicContact CD2-CG 4.36Å; Y213-Y218 AromaticContact CD2-CZ 3.38Å; Y213-Y218 AromaticContact CE2-CE2 3.89Å; Y213-Y218 HydrophobicContact CE2-CE2 3.89Å; Y213-Y218 AromaticContact CE2-CZ 3.88Å; Y213-Y218 HydrophobicContact CG-CE1 4.13Å
214Q93.1Very high95.5Very high56 Ų5647.6 Ų47.626%0.26227%0.273SS..EExtended strand (participates in β ladder)trans-152.3130.2178.9-178.9176.6-5.800109.9Y26 M189 S216 H217Y26-Q214 PolarHBondContact OH-NE2 3.17Å; M189-Q214 HydrophobicContact CB-CB 3.95Å; M189-Q214 HydrophobicContact CB-CG 3.97Å; M189-Q214 HydrophobicContact CG-CB 4.16Å; M189-Q214 HydrophobicContact CG-CG 4.38Å; Q214-S216 PolarHBondContact O-N 2.69Å; Q214-H217 PolarHBondContact N-O 3.44Å; Q214-H217 VanDerWaalsContact O-CB 3.32Å; Q214-H217 WeakPolarHBondContact O-CB 3.45Å; Q214-H217 PolarHBondContact O-N 3.16Å
215A90Very high95Very high77 Ų7749.4 Ų49.464%0.63627%0.266SS*.THydrogen-bonded Turntrans48.953.2178.900000113.3E190 H217E190-A215 WeakPolarHBondContact OE1-CA 3.48Å; E190-A215 PolarHBondContact OE1-N 3.3Å; A215-H217 PolarHBondContact O-N 2.82Å
216S91.2Very high93.2Very high54 Ų5458.1 Ų58.138%0.37829%0.292SS..THydrogen-bonded Turntrans58.826.3-176.6-60.30000114.8Q214Q214-S216 PolarHBondContact O-N 2.69Å
217H95.2Very high90.5Very high36 Ų3662.1 Ų62.117%0.16731%0.313CS..EExtended strand (participates in β ladder)trans-134.5144.7-175-177.167.1000113V39 C45 Y213 Q214 A215 N219V39-H217 PolarHBondContact O-CE1 2.81Å; V39-H217 PolarHBondContact O-NE2 2.81Å; C45-H217 VanDerWaalsContact CB-CE1 3.45Å; C45-H217 WeakPolarHBondContact CB-CE1 3.47Å; C45-H217 WeakPolarHBondContact CB-ND1 3.16Å; C45-H217 PolarHBondContact SG-ND1 3.34Å; Y213-H217 WeakPolarHBondContact CA-O 3.26Å; Q214-H217 PolarHBondContact N-O 3.44Å; Q214-H217 VanDerWaalsContact O-CB 3.32Å; Q214-H217 WeakPolarHBondContact O-CB 3.45Å; Q214-H217 PolarHBondContact O-N 3.16Å; A215-H217 PolarHBondContact O-N 2.82Å; H217-N219 PolarHBondContact NE2-OD1 3.24Å; H217-N219 VanDerWaalsContact NE2-OD1 3.14Å
218Y97.7Very high90.2Very high20 Ų2064.2 Ų64.28%0.07832%0.321CS..EExtended strand (participates in β ladder)trans-110.7127-178.6-70-84.8000112.3C45 F46 I173 I186 L211 L212 Y213C45-Y218 PolarHBondContact SG-N 2.65Å; C45-Y218 VanDerWaalsContact SG-N 3.44Å; F46-Y218 HydrophobicContact CB-CD2 3.74Å; F46-Y218 HydrophobicContact CB-CE2 4.06Å; F46-Y218 HydrophobicContact CB-CG 4.24Å; F46-Y218 HydrophobicContact CD2-CD1 4.44Å; F46-Y218 HydrophobicContact CD2-CD2 4.48Å; F46-Y218 HydrophobicContact CD2-CE1 4.43Å; F46-Y218 HydrophobicContact CD2-CE2 4.47Å; F46-Y218 HydrophobicContact CD2-CG 4.45Å; I173-Y218 VanDerWaalsContact CD1-OH 3.26Å; I173-Y218 WeakPolarHBondContact CD1-OH 3.43Å; I186-Y218 HydrophobicContact CD1-CE1 4.08Å; I186-Y218 HydrophobicContact CG1-CE1 4.43Å; I186-Y218 HydrophobicContact CG2-CE1 4.04Å; L211-Y218 HydrophobicContact CB-CD1 4.16Å; L211-Y218 HydrophobicContact CD1-CD1 4.2Å; L212-Y218 CarbonylContact O-C 3.58Å; L212-Y218 VanDerWaalsContact O-CA 3.26Å; L212-Y218 WeakPolarHBondContact O-CA 3.45Å; Y213-Y218 HydrophobicContact CD2-CD1 4.11Å; Y213-Y218 HydrophobicContact CD2-CD2 4.15Å; Y213-Y218 AromaticContact CD2-CE1 3.62Å; Y213-Y218 HydrophobicContact CD2-CE1 3.62Å; Y213-Y218 AromaticContact CD2-CE2 3.67Å; Y213-Y218 HydrophobicContact CD2-CE2 3.67Å; Y213-Y218 HydrophobicContact CD2-CG 4.36Å; Y213-Y218 AromaticContact CD2-CZ 3.38Å; Y213-Y218 AromaticContact CE2-CE2 3.89Å; Y213-Y218 HydrophobicContact CE2-CE2 3.89Å; Y213-Y218 AromaticContact CE2-CZ 3.88Å; Y213-Y218 HydrophobicContact CG-CE1 4.13Å
219N97.9Very high89.9Confident14 Ų1464.9 Ų64.98%0.07532%0.32CS..EExtended strand (participates in β ladder)trans-117.1161.9168.3-67.6-55.2000110.6V36 R37 K38 V39 L211 L212 H217V36-N219 HydrophobicContact CG2-CB 3.95Å; R37-N219 WeakPolarHBondContact O-CB 3.47Å; K38-N219 WeakPolarHBondContact CA-OD1 3.41Å; V39-N219 PolarHBondContact N-OD1 2.76Å; L211-N219 CarbonylContact C-O 3.4Å; L211-N219 WeakPolarHBondContact CA-O 3.45Å; L212-N219 HydrophobicContact CB-CB 4.26Å; L212-N219 PolarHBondContact N-O 3.4Å; L212-N219 PolarHBondContact O-N 3.03Å; H217-N219 PolarHBondContact NE2-OD1 3.24Å; H217-N219 VanDerWaalsContact NE2-OD1 3.14Å
220I98.6Very high89.5Confident3 Ų368.3 Ų68.32%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-91.4131.9178.5-53.8168.9000109V36 R37 V39 A49 F52 A53 L211 Y222V36-I220 CarbonylContact C-O 3.56Å; V36-I220 VanDerWaalsContact CA-O 3.25Å; V36-I220 WeakPolarHBondContact CA-O 3.5Å; V36-I220 WeakPolarHBondContact CG2-O 3.44Å; R37-I220 HydrophobicContact CB-CB 4.17Å; R37-I220 HydrophobicContact CB-CD1 4.36Å; R37-I220 PolarHBondContact N-O 2.89Å; R37-I220 PolarHBondContact O-N 2.78Å; V39-I220 HydrophobicContact CG2-CD1 4.32Å; V39-I220 HydrophobicContact CG2-CG1 4.16Å; A49-I220 HydrophobicContact CB-CD1 4.45Å; A49-I220 HydrophobicContact CB-CG1 3.85Å; F52-I220 HydrophobicContact CB-CD1 4.13Å; F52-I220 HydrophobicContact CD1-CD1 3.54Å; F52-I220 HydrophobicContact CE1-CD1 4.4Å; F52-I220 HydrophobicContact CG-CD1 4.17Å; A53-I220 HydrophobicContact CB-CD1 4.18Å; A53-I220 HydrophobicContact CB-CG1 4.36Å; A53-I220 HydrophobicContact CB-CG2 3.84Å; L211-I220 HydrophobicContact CD2-CG1 4.26Å; I220-Y222 HydrophobicContact CG2-CE2 4.1Å
221L98.4Very high89Confident4 Ų471.3 Ų71.32%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-107.8142.7177.3-70.6175.7000111.7I13 L29 F33 V36 V187 H210 L212I13-L221 HydrophobicContact CD1-CD2 3.65Å; L29-L221 HydrophobicContact CD1-CD1 4.15Å; L29-L221 HydrophobicContact CD1-CD2 4.44Å; F33-L221 HydrophobicContact CB-CD2 4.43Å; F33-L221 HydrophobicContact CD1-CB 3.61Å; F33-L221 HydrophobicContact CD1-CD1 4.12Å; F33-L221 HydrophobicContact CD1-CG 4.32Å; F33-L221 HydrophobicContact CD2-CD1 4.13Å; F33-L221 HydrophobicContact CE1-CB 3.83Å; F33-L221 HydrophobicContact CE1-CD1 3.99Å; F33-L221 HydrophobicContact CE2-CD1 4.03Å; F33-L221 HydrophobicContact CG-CB 4.2Å; F33-L221 HydrophobicContact CG-CD1 4.18Å; F33-L221 HydrophobicContact CG-CD2 4.33Å; F33-L221 HydrophobicContact CG-CG 4.49Å; F33-L221 HydrophobicContact CZ-CD1 3.95Å; V36-L221 HydrophobicContact CG2-CD2 4.44Å; V187-L221 HydrophobicContact CB-CD1 3.91Å; V187-L221 HydrophobicContact CG2-CD1 3.88Å; H210-L221 HydrophobicContact CB-CB 4.02Å; H210-L221 PolarHBondContact O-N 3.18Å; L212-L221 HydrophobicContact CB-CD1 3.8Å; L212-L221 HydrophobicContact CB-CD2 3.97Å; L212-L221 HydrophobicContact CB-CG 3.74Å; L212-L221 HydrophobicContact CD1-CD1 4.26Å
222Y97.4Very high88.4Confident45 Ų4575.8 Ų75.818%0.17637%0.373CS..EExtended strand (participates in β ladder)trans-113.9117.5174.1-60.6-88.1000109.7I10 F33 S34 A35 R37 E56 I220I10-Y222 HydrophobicContact CD1-CD1 4.32Å; I10-Y222 HydrophobicContact CD1-CD2 3.83Å; I10-Y222 HydrophobicContact CD1-CE1 4.4Å; I10-Y222 HydrophobicContact CD1-CE2 3.93Å; I10-Y222 HydrophobicContact CD1-CG 4.03Å; I10-Y222 HydrophobicContact CG1-CD2 4.12Å; I10-Y222 HydrophobicContact CG1-CE2 4.05Å; F33-Y222 WeakPolarHBondContact CA-O 3.29Å; F33-Y222 WeakPolarHBondContact CB-O 3.28Å; S34-Y222 PolarHBondContact N-O 3.3Å; A35-Y222 HydrophobicContact CB-CD2 3.99Å; A35-Y222 HydrophobicContact CB-CG 4.32Å; A35-Y222 PolarHBondContact O-N 3.31Å; R37-Y222 HydrophobicContact CB-CE2 4.19Å; R37-Y222 WeakPolarHBondContact CD-OH 3.4Å; R37-Y222 HydrophobicContact CG-CE2 3.92Å; R37-Y222 PolarHBondContact NE-OH 3.48Å; E56-Y222 VanDerWaalsContact CD-OH 3.28Å; E56-Y222 PolarHBondContact OE1-OH 3.46Å; E56-Y222 WeakPolarHBondContact OE2-CE1 3.37Å; E56-Y222 VanDerWaalsContact OE2-CZ 3.29Å; E56-Y222 PolarHBondContact OE2-OH 3.15Å; I220-Y222 HydrophobicContact CG2-CE2 4.1Å
223Q94.5Very high87.7Confident108 Ų10880.8 Ų80.851%0.50540%0.398SS..EExtended strand (participates in β ladder)trans-60.2141.5179.2-74.1-175.2-2700110.7F33 H210 T225F33-Q223 HydrophobicContact CD1-CG 4.08Å; F33-Q223 HydrophobicContact CE1-CG 3.72Å; H210-Q223 VanDerWaalsContact CE1-CD 3.41Å; H210-Q223 PolarHBondContact CE1-NE2 2.74Å; H210-Q223 PolarHBondContact NE2-NE2 2.89Å; H210-Q223 PolarHBondContact NE2-OE1 3.18Å; Q223-T225 PolarHBondContact O-N 2.84Å
224R91.3Very high87.1Confident126 Ų12682.4 Ų82.448%0.47541%0.41SS..PPolyproline II helixtrans-70.6119.8169.3-174.1178.4-68.1-100.6-0.8107.9G30 Q32 R226G30-R224 PolarHBondContact O-NH2 3.08Å; Q32-R224 PolarHBondContact O-N 3.08Å; R224-R226 PolarHBondContact O-N 2.88Å; R224-R226 VanDerWaalsContact O-N 3.11Å
225T80.3Confident86.6Confident125 Ų12584.5 Ų84.577%0.76742%0.422SS*.PPolyproline II helixtrans-57.7119.5174.2-340000108.8Q223 L227Q223-T225 PolarHBondContact O-N 2.84Å; T225-L227 PolarHBondContact O-N 2.89Å
226R55.8Low86.3Confident243 Ų24385.1 Ų85.192%0.91740%0.404SS*.  trans-69.7115.9172-71.2-175.9179.1175.71.4107.4R224R224-R226 PolarHBondContact O-N 2.88Å; R224-R226 VanDerWaalsContact O-N 3.11Å
227L37.7Very low85.9Confident243 Ų24387.9 Ų87.9100%1.27241%0.406SS*.  trans-62.40168.5-71.7167.9000110.7T225T225-L227 PolarHBondContact O-N 2.89Å

Retrieved 227 of 227 residues in 156.2 ms (Link to these results)

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