A0A3Q0KIQ6_SCHMA Loading...

Curli production assembly/transport component CsgE

AlphaFold DB , UniProt , Accession A0A3Q0KIQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 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
1M41.2Very low58Low239 Ų239128.4 Ų128.4100%1.17770%0.702SS**  0103.30-68.3-165.1-89.400106.8V3M1-V3 PolarHBondContact O-N 3.15Å
2S51.2Low60.7Low120 Ų120122.5 Ų122.584%0.83967%0.673SS**  trans-80.9111.4173.5-58.50000106.6E4S2-E4 PolarHBondContact O-N 3.25Å; S2-E4 VanDerWaalsContact O-N 3.16Å
3V50.2Low63Low121 Ų121116.8 Ų116.873%0.73364%0.64SS**  trans-68.1109.8166.8-1780000104.7M1 L5M1-V3 PolarHBondContact O-N 3.15Å; V3-L5 VanDerWaalsContact C-N 3.26Å; V3-L5 PolarHBondContact O-N 3.32Å
4E53.7Low64.7Low185 Ų185119.6 Ų119.686%0.86465%0.647SS**  trans-60.199.2166.4-73.4-178.5171.700106.2S2S2-E4 PolarHBondContact O-N 3.25Å; S2-E4 VanDerWaalsContact O-N 3.16Å
5L51.4Low66.3Low148 Ų148116.5 Ų116.578%0.77563%0.626SS**PPolyproline II helixtrans-61.7128.5168.7-73.2165.8000105.4V3 E7V3-L5 VanDerWaalsContact C-N 3.26Å; V3-L5 PolarHBondContact O-N 3.32Å; L5-E7 PolarHBondContact O-N 3.18Å
6P52.7Low67.8Low113 Ų113109.2 Ų109.273%0.73459%0.587SS**PPolyproline II helixtrans-51.9133.5177.820.3-30.4000108.2A8P6-A8 PolarHBondContact O-N 3.29Å
7E55.5Low69.2Low188 Ų188103.6 Ų103.688%0.87956%0.557SS**PPolyproline II helixtrans-46.7119.2173.7-72.9-174.3156.300107.1L5 K9L5-E7 PolarHBondContact O-N 3.18Å; E7-K9 PolarHBondContact O-N 3.38Å
8A59.1Low70.2Confident65 Ų65101.7 Ų101.754%0.53755%0.552SS.*  trans-54.4110.4-178.300000106.9P6 W72P6-A8 PolarHBondContact O-N 3.29Å; A8-W72 HydrophobicContact CB-CH2 4.37Å; A8-W72 HydrophobicContact CB-CZ2 3.83Å; A8-W72 WeakPolarHBondContact O-CH2 3.22Å; A8-W72 WeakPolarHBondContact O-CZ2 3.37Å; A8-W72 WeakPolarHBondContact O-CZ3 3.46Å
9K66.9Low71Confident168 Ų168103.1 Ų103.173%0.7356%0.559SS**PPolyproline II helixtrans-71.6136.8-179.9-175.3-176.5173.3-169.10107.2E7 D11E7-K9 PolarHBondContact O-N 3.38Å; K9-D11 PolarHBondContact O-N 3.46Å
10A74Confident71.9Confident35 Ų3599.7 Ų99.729%0.28954%0.539SS..PPolyproline II helixtrans-57.8132.2172.300000111.6T12 W72 N74A10-T12 PolarHBondContact O-N 3.16Å; A10-W72 HydrophobicContact CB-CE3 3.47Å; A10-W72 VanDerWaalsContact CB-CE3 3.47Å; A10-W72 HydrophobicContact CB-CZ3 3.52Å; A10-W72 VanDerWaalsContact N-CZ3 3.31Å; A10-N74 VanDerWaalsContact CB-OD1 3.28Å; A10-N74 WeakPolarHBondContact CB-OD1 3.44Å
11D82Confident72.8Confident30 Ų3096 Ų9616%0.1652%0.518CS..PPolyproline II helixtrans-58.8129.4166.5-45.1-59.1000107.7K9 E15 V16 K20 W72 R80K9-D11 PolarHBondContact O-N 3.46Å; D11-E15 WeakPolarHBondContact CA-OE2 3.27Å; D11-E15 HydrophobicContact CB-CB 4.49Å; D11-V16 HydrophobicContact CB-CG2 4Å; D11-K20 IonicContact OD1-NZ 2.66Å; D11-K20 PolarHBondContact OD1-NZ 3.11Å; D11-K20 IonicContact OD2-NZ 3.52Å; D11-K20 PolarHBondContact OD2-NZ 3.49Å; D11-W72 WeakPolarHBondContact OD2-CB 3.05Å; D11-W72 PolarHBondContact OD2-N 3.28Å; D11-R80 PolarHBondContact O-NH2 2.82Å
12T90Very high75.2Confident58 Ų5887.9 Ų87.936%0.35648%0.477SS..PPolyproline II helixtrans-65.7156.816661.40000109.6A10 Q14 E15 V16A10-T12 PolarHBondContact O-N 3.16Å; T12-Q14 PolarHBondContact O-N 3.45Å; T12-E15 PolarHBondContact N-OE2 3.46Å; T12-E15 PolarHBondContact O-N 3.06Å; T12-E15 VanDerWaalsContact OG1-CD 3.25Å; T12-E15 VanDerWaalsContact OG1-CG 3.28Å; T12-E15 WeakPolarHBondContact OG1-CG 3.41Å; T12-E15 PolarHBondContact OG1-N 3.06Å; T12-E15 VanDerWaalsContact OG1-N 3.16Å; T12-E15 PolarHBondContact OG1-OE2 3.06Å; T12-V16 WeakPolarHBondContact O-CG2 3.21Å; T12-V16 PolarHBondContact O-N 3.04Å; T12-V16 VanDerWaalsContact O-N 3.08Å
13L90.5Very high77.1Confident48 Ų4883.2 Ų83.225%0.25144%0.441SS..Hα-helixtrans-59.4-34.2172.3-72.1168.1000110.8E15 V16 F17 I84 H87L13-E15 PolarHBondContact O-N 3.49Å; L13-V16 PolarHBondContact O-N 3.36Å; L13-F17 HydrophobicContact CD2-CE2 4.19Å; L13-F17 VanDerWaalsContact O-CD2 3.22Å; L13-F17 WeakPolarHBondContact O-CD2 3.42Å; L13-F17 PolarHBondContact O-N 3.38Å; L13-I84 HydrophobicContact CD2-CG1 4.24Å; L13-H87 HydrophobicContact CD1-CB 4.01Å; L13-H87 HydrophobicContact CD2-CB 4.37Å
14Q87.8Confident79Confident156 Ų15678.4 Ų78.473%0.72941%0.411SS*.Hα-helixtrans-58.2-47.5175.3-171.6174.32.500112.1T12 V16 F17 S18T12-Q14 PolarHBondContact O-N 3.45Å; Q14-V16 VanDerWaalsContact C-N 3.34Å; Q14-V16 PolarHBondContact O-N 3.2Å; Q14-F17 PolarHBondContact O-N 3.44Å; Q14-S18 WeakPolarHBondContact O-CB 3.2Å; Q14-S18 PolarHBondContact O-N 3.04Å; Q14-S18 PolarHBondContact O-OG 3.13Å; Q14-S18 VanDerWaalsContact O-OG 3.13Å
15E88.4Confident80.6Confident73 Ų7373.1 Ų73.134%0.34139%0.389SS..Hα-helixtrans-64.6-37.1176.6-73158.1157.600112.1D11 T12 L13 F17 S18 D19 K20D11-E15 WeakPolarHBondContact CA-OE2 3.27Å; D11-E15 HydrophobicContact CB-CB 4.49Å; T12-E15 PolarHBondContact N-OE2 3.46Å; T12-E15 PolarHBondContact O-N 3.06Å; T12-E15 VanDerWaalsContact OG1-CD 3.25Å; T12-E15 VanDerWaalsContact OG1-CG 3.28Å; T12-E15 WeakPolarHBondContact OG1-CG 3.41Å; T12-E15 PolarHBondContact OG1-N 3.06Å; T12-E15 VanDerWaalsContact OG1-N 3.16Å; T12-E15 PolarHBondContact OG1-OE2 3.06Å; L13-E15 PolarHBondContact O-N 3.49Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 3Å; E15-S18 PolarHBondContact O-N 3.09Å; E15-S18 PolarHBondContact O-OG 2.72Å; E15-D19 PolarHBondContact O-N 2.6Å; E15-K20 PolarHBondContact O-N 3.4Å
16V90.9Very high82.3Confident0 Ų068.1 Ų68.10%036%0.363CS..Hα-helixtrans-61.4-45.3175.3172.30000110.9D11 T12 L13 Q14 K20 F21 L68 V71D11-V16 HydrophobicContact CB-CG2 4Å; T12-V16 WeakPolarHBondContact O-CG2 3.21Å; T12-V16 PolarHBondContact O-N 3.04Å; T12-V16 VanDerWaalsContact O-N 3.08Å; L13-V16 PolarHBondContact O-N 3.36Å; Q14-V16 VanDerWaalsContact C-N 3.34Å; Q14-V16 PolarHBondContact O-N 3.2Å; V16-K20 CarbonylContact O-C 3.54Å; V16-K20 WeakPolarHBondContact O-CB 3.38Å; V16-K20 PolarHBondContact O-N 3.25Å; V16-F21 WeakPolarHBondContact O-CB 3.31Å; V16-F21 PolarHBondContact O-N 3.01Å; V16-L68 HydrophobicContact CG1-CD1 4.04Å; V16-L68 HydrophobicContact CG1-CD2 4.21Å; V16-L68 HydrophobicContact CG1-CG 4.5Å; V16-V71 HydrophobicContact CG1-CG2 3.93Å; V16-V71 HydrophobicContact CG2-CG1 3.96Å; V16-V71 HydrophobicContact CG2-CG2 4.35Å
17F91Very high83.8Confident15 Ų1569.6 Ų69.67%0.06637%0.365CS..Hα-helixtrans-87.5-4.7-175.7-72.2-79.1000114.5L13 Q14 E15 F21 I61 L68 I84 H87 I88 M91L13-F17 HydrophobicContact CD2-CE2 4.19Å; L13-F17 VanDerWaalsContact O-CD2 3.22Å; L13-F17 WeakPolarHBondContact O-CD2 3.42Å; L13-F17 PolarHBondContact O-N 3.38Å; Q14-F17 PolarHBondContact O-N 3.44Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 3Å; F17-F21 AromaticContact CD1-CD2 3.72Å; F17-F21 HydrophobicContact CD1-CD2 3.72Å; F17-F21 HydrophobicContact CD1-CE2 4.28Å; F17-F21 HydrophobicContact CD1-CG 4.47Å; F17-F21 HydrophobicContact CE1-CD2 4.2Å; F17-F21 WeakPolarHBondContact O-CB 3.5Å; F17-I61 HydrophobicContact CE1-CD1 4.09Å; F17-L68 HydrophobicContact CD1-CD2 4.39Å; F17-L68 HydrophobicContact CE1-CD1 4.46Å; F17-L68 HydrophobicContact CE1-CD2 4.16Å; F17-L68 HydrophobicContact CZ-CD1 4.34Å; F17-I84 HydrophobicContact CE2-CG2 4.47Å; F17-I84 HydrophobicContact CZ-CG2 3.88Å; F17-H87 AromaticContact CD2-CD2 3.22Å; F17-H87 WeakPolarHBondContact CD2-CD2 3.34Å; F17-H87 AromaticContact CD2-NE2 3.76Å; F17-H87 HydrophobicContact CE2-CB 4.1Å; F17-H87 AromaticContact CE2-CD2 3.28Å; F17-H87 WeakPolarHBondContact CE2-CD2 3.33Å; F17-H87 AromaticContact CE2-CG 3.97Å; F17-H87 AromaticContact CG-CD2 3.92Å; F17-H87 AromaticContact CZ-CD2 3.98Å; F17-I88 HydrophobicContact CE1-CD1 4.38Å; F17-I88 HydrophobicContact CE1-CG1 3.93Å; F17-I88 HydrophobicContact CZ-CD1 4.19Å; F17-I88 HydrophobicContact CZ-CG1 3.72Å; F17-M91 HydrophobicContact CD1-CE 3.58Å; F17-M91 HydrophobicContact CD1-SD 4.21Å; F17-M91 HydrophobicContact CE1-CE 3.43Å; F17-M91 VanDerWaalsContact CE1-CE 3.43Å; F17-M91 HydrophobicContact CE2-CE 4.44Å; F17-M91 HydrophobicContact CG-CE 4.14Å; F17-M91 HydrophobicContact CG-SD 4.39Å; F17-M91 HydrophobicContact CZ-CE 3.88Å
18S87Confident85.1Confident69 Ų6967.9 Ų67.948%0.48336%0.356SS..Hα-helixtrans-100-57.4169.768.30000112.3Q14 E15Q14-S18 WeakPolarHBondContact O-CB 3.2Å; Q14-S18 PolarHBondContact O-N 3.04Å; Q14-S18 PolarHBondContact O-OG 3.13Å; Q14-S18 VanDerWaalsContact O-OG 3.13Å; E15-S18 PolarHBondContact O-N 3.09Å; E15-S18 PolarHBondContact O-OG 2.72Å
19D85.7Confident86Confident127 Ų12769.2 Ų69.268%0.67935%0.348SS*.THydrogen-bonded Turntrans-97.9-27.3-163-61.40000111.7E15E15-D19 PolarHBondContact O-N 2.6Å
20K88.6Confident86.6Confident36 Ų3666.3 Ų66.316%0.15734%0.341CS..SBendtrans-104.9-0.9-174.5-58.4-177.2-178-160.90112.8D11 E15 V16 L68 V69 S70D11-K20 IonicContact OD1-NZ 2.66Å; D11-K20 PolarHBondContact OD1-NZ 3.11Å; D11-K20 IonicContact OD2-NZ 3.52Å; D11-K20 PolarHBondContact OD2-NZ 3.49Å; E15-K20 PolarHBondContact O-N 3.4Å; V16-K20 CarbonylContact O-C 3.54Å; V16-K20 WeakPolarHBondContact O-CB 3.38Å; V16-K20 PolarHBondContact O-N 3.25Å; K20-L68 CarbonylContact O-C 3.53Å; K20-L68 VanDerWaalsContact O-CA 3.26Å; K20-L68 WeakPolarHBondContact O-CA 3.16Å; K20-V69 HydrophobicContact CB-CG2 4.44Å; K20-V69 VanDerWaalsContact CB-O 3.3Å; K20-V69 WeakPolarHBondContact CB-O 3.37Å; K20-V69 WeakPolarHBondContact CD-O 3.41Å; K20-V69 WeakPolarHBondContact CG-O 3.21Å; K20-V69 PolarHBondContact O-N 2.93Å; K20-S70 PolarHBondContact NZ-O 3.2Å
21F91.5Very high86.9Confident23 Ų2366 Ų6610%0.10133%0.333CS..EExtended strand (participates in β ladder)trans-98.2131.2-173.1175.8-85.4000112.6V16 F17 Y23 I61 V66 L68 P98V16-F21 WeakPolarHBondContact O-CB 3.31Å; V16-F21 PolarHBondContact O-N 3.01Å; F17-F21 AromaticContact CD1-CD2 3.72Å; F17-F21 HydrophobicContact CD1-CD2 3.72Å; F17-F21 HydrophobicContact CD1-CE2 4.28Å; F17-F21 HydrophobicContact CD1-CG 4.47Å; F17-F21 HydrophobicContact CE1-CD2 4.2Å; F17-F21 WeakPolarHBondContact O-CB 3.5Å; F21-Y23 AromaticContact CE1-CD2 3.73Å; F21-Y23 HydrophobicContact CE1-CD2 3.73Å; F21-Y23 AromaticContact CE1-CE2 3.48Å; F21-Y23 HydrophobicContact CE1-CE2 3.48Å; F21-Y23 VanDerWaalsContact CE1-CE2 3.48Å; F21-Y23 HydrophobicContact CE1-CG 4.41Å; F21-Y23 AromaticContact CE1-CZ 3.93Å; F21-Y23 HydrophobicContact CZ-CD1 4.48Å; F21-Y23 HydrophobicContact CZ-CD2 4.19Å; F21-Y23 HydrophobicContact CZ-CE1 4.08Å; F21-Y23 AromaticContact CZ-CE2 3.79Å; F21-Y23 HydrophobicContact CZ-CE2 3.79Å; F21-Y23 AromaticContact CZ-CZ 3.74Å; F21-I61 HydrophobicContact CE2-CD1 3.71Å; F21-I61 HydrophobicContact CZ-CD1 4.42Å; F21-V66 HydrophobicContact CE2-CB 3.73Å; F21-V66 HydrophobicContact CE2-CG1 3.59Å; F21-V66 HydrophobicContact CE2-CG2 4.15Å; F21-V66 HydrophobicContact CZ-CB 4.07Å; F21-V66 HydrophobicContact CZ-CG1 3.52Å; F21-L68 HydrophobicContact CB-CD2 4.13Å; F21-L68 HydrophobicContact CD2-CD2 3.59Å; F21-L68 HydrophobicContact CE2-CD2 4.47Å; F21-L68 HydrophobicContact CG-CD2 4.32Å; F21-P98 HydrophobicContact CD1-CB 3.91Å; F21-P98 HydrophobicContact CD1-CG 4.17Å; F21-P98 HydrophobicContact CE1-CB 3.65Å; F21-P98 HydrophobicContact CE1-CG 4.05Å; F21-P98 HydrophobicContact CE2-CG 4.5Å; F21-P98 HydrophobicContact CG-CG 4.47Å; F21-P98 HydrophobicContact CZ-CB 4.21Å; F21-P98 HydrophobicContact CZ-CG 4.22Å
22Q90.8Very high86.7Confident68 Ų6874.4 Ų74.432%0.31837%0.365SS..EExtended strand (participates in β ladder)trans-145.3132.9176.9-66.6-172.127.500111.6V66 L67Q22-V66 CarbonylContact O-C 3.52Å; Q22-V66 VanDerWaalsContact O-CA 3.3Å; Q22-V66 WeakPolarHBondContact O-CA 3.38Å; Q22-L67 PolarHBondContact N-O 3.12Å; Q22-L67 PolarHBondContact O-N 3Å
23Y91.4Very high86.4Confident21 Ų2178.6 Ų78.68%0.08238%0.38CS..EExtended strand (participates in β ladder)trans-67.1141.9160.2-70-77.2000111F21 R64 V66 I97 P98 D100 R102F21-Y23 AromaticContact CE1-CD2 3.73Å; F21-Y23 HydrophobicContact CE1-CD2 3.73Å; F21-Y23 AromaticContact CE1-CE2 3.48Å; F21-Y23 HydrophobicContact CE1-CE2 3.48Å; F21-Y23 VanDerWaalsContact CE1-CE2 3.48Å; F21-Y23 HydrophobicContact CE1-CG 4.41Å; F21-Y23 AromaticContact CE1-CZ 3.93Å; F21-Y23 HydrophobicContact CZ-CD1 4.48Å; F21-Y23 HydrophobicContact CZ-CD2 4.19Å; F21-Y23 HydrophobicContact CZ-CE1 4.08Å; F21-Y23 AromaticContact CZ-CE2 3.79Å; F21-Y23 HydrophobicContact CZ-CE2 3.79Å; F21-Y23 AromaticContact CZ-CZ 3.74Å; Y23-R64 HydrophobicContact CD1-CB 3.78Å; Y23-R64 HydrophobicContact CE1-CB 3.7Å; Y23-R64 HydrophobicContact CE1-CG 4.41Å; Y23-V66 HydrophobicContact CD1-CG1 3.72Å; Y23-V66 HydrophobicContact CE1-CG1 3.73Å; Y23-I97 WeakPolarHBondContact OH-CG2 3.23Å; Y23-P98 WeakPolarHBondContact CE2-O 3.43Å; Y23-P98 VanDerWaalsContact CZ-O 3.31Å; Y23-P98 PolarHBondContact OH-O 3.17Å; Y23-D100 VanDerWaalsContact CB-OD2 3.27Å; Y23-D100 WeakPolarHBondContact CB-OD2 3.28Å; Y23-D100 HydrophobicContact CD2-CB 3.25Å; Y23-D100 VanDerWaalsContact CD2-CG 3.44Å; Y23-D100 HydrophobicContact CE2-CB 3.61Å; Y23-D100 HydrophobicContact CG-CB 3.88Å; Y23-R102 PolarHBondContact O-NH2 3.23Å
24I89.8Confident86.6Confident20 Ų2078.2 Ų78.210%0.10338%0.376CS..  trans-136.4154179.758160.5000110.7L26 Y29 V58 A65 L67I24-L26 HydrophobicContact CD1-CD2 3.78Å; I24-Y29 HydrophobicContact CB-CD2 3.99Å; I24-Y29 HydrophobicContact CB-CE2 3.62Å; I24-Y29 HydrophobicContact CD1-CD2 4.21Å; I24-Y29 HydrophobicContact CD1-CG 4.28Å; I24-Y29 HydrophobicContact CG2-CD2 4.32Å; I24-Y29 HydrophobicContact CG2-CE1 4.27Å; I24-Y29 HydrophobicContact CG2-CE2 3.6Å; I24-V58 HydrophobicContact CD1-CG1 4.28Å; I24-V58 HydrophobicContact CD1-CG2 4.4Å; I24-A65 HydrophobicContact CG1-CB 4.08Å; I24-A65 PolarHBondContact N-O 3.06Å; I24-L67 HydrophobicContact CD1-CB 4.05Å; I24-L67 HydrophobicContact CG1-CB 4.26Å; I24-L67 HydrophobicContact CG2-CB 3.68Å; I24-L67 HydrophobicContact CG2-CD2 4.24Å
25N88.1Confident87Confident75 Ų7575.9 Ų75.940%0.40137%0.365SS..  trans-93.2115.6160.9-177.5-3.1000108D27 H28 Y29N25-D27 PolarHBondContact O-N 2.88Å; N25-D27 PolarHBondContact OD1-N 2.83Å; N25-D27 VanDerWaalsContact OD1-N 3.13Å; N25-D27 PolarHBondContact OD1-OD2 3.29Å; N25-H28 WeakPolarHBondContact O-CB 3.3Å; N25-H28 PolarHBondContact O-N 2.97Å; N25-Y29 VanDerWaalsContact O-CD2 3.31Å; N25-Y29 WeakPolarHBondContact O-CD2 3.49Å
26L86.2Confident87.3Confident42 Ų4277.4 Ų77.422%0.2237%0.372CS..G310 helixtrans-58.5-29.6-177.8-67.9170.4000112.9I24 H28 Y29 I31 V58 A65I24-L26 HydrophobicContact CD1-CD2 3.78Å; L26-H28 PolarHBondContact O-N 3.15Å; L26-H28 VanDerWaalsContact O-N 3.12Å; L26-Y29 PolarHBondContact O-N 2.77Å; L26-Y29 VanDerWaalsContact O-O 3.12Å; L26-I31 HydrophobicContact CD2-CD1 3.66Å; L26-V58 HydrophobicContact CD2-CG1 3.63Å; L26-A65 HydrophobicContact CD1-CB 3.75Å; L26-A65 HydrophobicContact CD2-CB 3.94Å; L26-A65 HydrophobicContact CG-CB 3.52Å
27D84.4Confident87.6Confident145 Ų14579.1 Ų79.178%0.77538%0.381SS*.G310 helixtrans-62.5-21.7178.1-60.6-27.3000112.6N25N25-D27 PolarHBondContact O-N 2.88Å; N25-D27 PolarHBondContact OD1-N 2.83Å; N25-D27 VanDerWaalsContact OD1-N 3.13Å; N25-D27 PolarHBondContact OD1-OD2 3.29Å
28H83.6Confident87.9Confident151 Ų15183.9 Ų83.970%0.69941%0.407SS*.G310 helixtrans-93.8-3.7178.8-60.1175.8000113.2N25 L26N25-H28 WeakPolarHBondContact O-CB 3.3Å; N25-H28 PolarHBondContact O-N 2.97Å; L26-H28 PolarHBondContact O-N 3.15Å; L26-H28 VanDerWaalsContact O-N 3.12Å
29Y78.3Confident88.4Confident93 Ų9381.4 Ų81.437%0.36539%0.388SS..  trans-120124.5-175.2-74.9-101.3000111.1I24 N25 L26 I31 L67I24-Y29 HydrophobicContact CB-CD2 3.99Å; I24-Y29 HydrophobicContact CB-CE2 3.62Å; I24-Y29 HydrophobicContact CD1-CD2 4.21Å; I24-Y29 HydrophobicContact CD1-CG 4.28Å; I24-Y29 HydrophobicContact CG2-CD2 4.32Å; I24-Y29 HydrophobicContact CG2-CE1 4.27Å; I24-Y29 HydrophobicContact CG2-CE2 3.6Å; N25-Y29 VanDerWaalsContact O-CD2 3.31Å; N25-Y29 WeakPolarHBondContact O-CD2 3.49Å; L26-Y29 PolarHBondContact O-N 2.77Å; L26-Y29 VanDerWaalsContact O-O 3.12Å; Y29-I31 PolarHBondContact O-N 2.88Å; Y29-L67 HydrophobicContact CE1-CD2 3.99Å
30N79.1Confident88.9Confident108 Ų10882 Ų8258%0.57839%0.391SS*.  trans-81.897.5168.9-175.5-25.7000109.6Y32N30-Y32 WeakPolarHBondContact OD1-CB 3.48Å; N30-Y32 WeakPolarHBondContact OD1-CD2 3.38Å; N30-Y32 PolarHBondContact OD1-N 2.93Å
31I80.8Confident89.1Confident27 Ų2783.7 Ų83.714%0.13842%0.419CS..  trans-106.317.2177.563.7-172.8000112.5L26 Y29 H33 F34 V58L26-I31 HydrophobicContact CD2-CD1 3.66Å; Y29-I31 PolarHBondContact O-N 2.88Å; I31-H33 PolarHBondContact O-N 3.21Å; I31-H33 VanDerWaalsContact O-N 3.11Å; I31-F34 HydrophobicContact CB-CD2 4.01Å; I31-F34 HydrophobicContact CB-CE2 4.42Å; I31-F34 HydrophobicContact CB-CG 4.22Å; I31-F34 HydrophobicContact CG2-CD2 4.4Å; I31-F34 HydrophobicContact CG2-CE2 4.32Å; I31-F34 WeakPolarHBondContact O-CB 3.5Å; I31-F34 PolarHBondContact O-N 2.78Å; I31-V58 HydrophobicContact CD1-CG1 4.2Å; I31-V58 HydrophobicContact CG2-CG2 4.2Å
32Y76.9Confident89.3Confident208 Ų20885.1 Ų85.182%0.81642%0.424SS*.THydrogen-bonded Turntrans-62.6-20.2-177.5-71.5-70.1000113.9N30N30-Y32 WeakPolarHBondContact OD1-CB 3.48Å; N30-Y32 WeakPolarHBondContact OD1-CD2 3.38Å; N30-Y32 PolarHBondContact OD1-N 2.93Å
33H84.8Confident89.6Confident145 Ų14586.9 Ų86.967%0.67143%0.428SS*.THydrogen-bonded Turntrans-95.410.2178.7-59.6-61000113.7I31I31-H33 PolarHBondContact O-N 3.21Å; I31-H33 VanDerWaalsContact O-N 3.11Å
34F94.3Very high89.9Confident40 Ų4085.9 Ų85.918%0.17542%0.424CS..  trans-86.4138.4177.8-77.4-129.5000109.2I31 Q45 F46 R47 T56 V58I31-F34 HydrophobicContact CB-CD2 4.01Å; I31-F34 HydrophobicContact CB-CE2 4.42Å; I31-F34 HydrophobicContact CB-CG 4.22Å; I31-F34 HydrophobicContact CG2-CD2 4.4Å; I31-F34 HydrophobicContact CG2-CE2 4.32Å; I31-F34 WeakPolarHBondContact O-CB 3.5Å; I31-F34 PolarHBondContact O-N 2.78Å; F34-Q45 HydrophobicContact CB-CB 3.99Å; F34-Q45 HydrophobicContact CD1-CB 4.31Å; F34-F46 CarbonylContact C-O 3.5Å; F34-F46 WeakPolarHBondContact CA-O 3.49Å; F34-F46 WeakPolarHBondContact CB-O 3.39Å; F34-F46 VanDerWaalsContact CD1-C 3.43Å; F34-R47 HydrophobicContact CD1-CB 4.1Å; F34-R47 HydrophobicContact CD2-CB 4.12Å; F34-R47 HydrophobicContact CE1-CB 4.04Å; F34-R47 HydrophobicContact CE2-CB 4.06Å; F34-R47 HydrophobicContact CG-CB 4.13Å; F34-R47 HydrophobicContact CZ-CB 4.01Å; F34-T56 HydrophobicContact CE1-CG2 3.88Å; F34-T56 HydrophobicContact CZ-CG2 3.89Å; F34-V58 HydrophobicContact CD1-CG2 4.41Å; F34-V58 HydrophobicContact CE1-CG2 4.05Å
35E95.5Very high90.2Very high107 Ų10786.2 Ų86.250%0.543%0.425SS..EExtended strand (participates in β ladder)trans-70.2161.7165.6-64.6177.4-120.900109.5Q45 F46E35-Q45 CarbonylContact O-C 3.51Å; E35-Q45 WeakPolarHBondContact O-CA 3.43Å; E35-F46 HydrophobicContact CB-CD1 4.42Å; E35-F46 HydrophobicContact CB-CD2 4.39Å; E35-F46 HydrophobicContact CB-CE1 3.94Å; E35-F46 HydrophobicContact CB-CE2 3.91Å; E35-F46 HydrophobicContact CB-CZ 3.66Å; E35-F46 PolarHBondContact N-O 3.29Å; E35-F46 PolarHBondContact O-N 3.49Å
36E95.5Very high90.6Very high105 Ų10582.9 Ų82.949%0.49141%0.407SS..EExtended strand (participates in β ladder)trans-130.3137.9-176.9-173.6174.4125.700111.3R43 Y44 Q45E36-R43 VanDerWaalsContact CD-CD 3.43Å; E36-R43 HydrophobicContact CG-CG 3.83Å; E36-R43 WeakPolarHBondContact OE2-CD 3.36Å; E36-R43 IonicContact OE2-NH1 3.21Å; E36-Y44 WeakPolarHBondContact CA-O 3.32Å; E36-Q45 HydrophobicContact CB-CG 4.49Å; E36-Q45 HydrophobicContact CG-CG 4.36Å
37I96.5Very high91Very high37 Ų3787.7 Ų87.719%0.1942%0.422CS..EExtended strand (participates in β ladder)trans-134.5142.9168.5-168.7170.9000110.2I39 Y44 F46 L81I37-I39 HydrophobicContact CG1-CG1 4.42Å; I37-Y44 PolarHBondContact N-O 3.45Å; I37-Y44 PolarHBondContact O-N 2.92Å; I37-F46 HydrophobicContact CB-CE1 4.09Å; I37-F46 HydrophobicContact CG2-CD1 4.1Å; I37-F46 HydrophobicContact CG2-CE1 3.85Å; I37-L81 HydrophobicContact CG2-CD1 3.79Å
38L97.1Very high91.5Very high114 Ų11483 Ų8360%0.59740%0.396SS*.EExtended strand (participates in β ladder)trans-103.4123.9173.6-67.2171.3000109.2R43L38-R43 HydrophobicContact CD2-CB 4Å; L38-R43 HydrophobicContact CD2-CG 4.37Å
39I97.4Very high91.9Very high17 Ų1777.7 Ų77.79%0.08738%0.376CS..EExtended strand (participates in β ladder)trans-123112.4175.1-53.7175000106.9I37 G41 R42 Y44 L81 R82 H85I37-I39 HydrophobicContact CG1-CG1 4.42Å; I39-G41 PolarHBondContact O-N 3.2Å; I39-R42 PolarHBondContact N-O 3.46Å; I39-R42 WeakPolarHBondContact O-CB 3.37Å; I39-R42 PolarHBondContact O-N 3.49Å; I39-Y44 HydrophobicContact CB-CD2 4.19Å; I39-Y44 HydrophobicContact CB-CE2 3.98Å; I39-Y44 HydrophobicContact CD1-CD2 3.97Å; I39-Y44 HydrophobicContact CD1-CE2 4.11Å; I39-Y44 HydrophobicContact CG1-CD2 4.09Å; I39-Y44 HydrophobicContact CG1-CE2 4.29Å; I39-L81 HydrophobicContact CD1-CB 4.03Å; I39-R82 HydrophobicContact CD1-CG 4.28Å; I39-H85 HydrophobicContact CD1-CB 4.45Å; I39-H85 HydrophobicContact CG2-CB 4.25Å
40D95.7Very high92.5Very high139 Ų13979.9 Ų79.974%0.74341%0.405SS*.THydrogen-bonded Turntrans5042.1-177.9-59.2-25.3000113.4R42 H85D40-R42 PolarHBondContact O-N 3.4Å; D40-H85 IonicContact OD2-NE2 3.49Å
41G94.3Very high93Very high73 Ų7383 Ų8375%0.75341%0.414SS*.THydrogen-bonded Turntrans77-6.1-178.500000115I39I39-G41 PolarHBondContact O-N 3.2Å
42R95.9Very high93.4Very high53 Ų5382.9 Ų82.920%0.242%0.419CS..EExtended strand (participates in β ladder)trans-85.3128171.8-173.2170.8-57-136.15.1110.6I39 D40 Y44 H60 E92I39-R42 PolarHBondContact N-O 3.46Å; I39-R42 WeakPolarHBondContact O-CB 3.37Å; I39-R42 PolarHBondContact O-N 3.49Å; D40-R42 PolarHBondContact O-N 3.4Å; R42-Y44 HydrophobicContact CB-CE2 3.86Å; R42-Y44 VanDerWaalsContact CD-OH 3.31Å; R42-Y44 WeakPolarHBondContact CD-OH 3.29Å; R42-Y44 HydrophobicContact CG-CD2 4.36Å; R42-Y44 HydrophobicContact CG-CE2 3.69Å; R42-Y44 WeakPolarHBondContact O-CD2 3.44Å; R42-H60 PolarHBondContact NH1-O 2.66Å; R42-E92 IonicContact CZ-OE1 2.83Å; R42-E92 IonicContact CZ-OE2 3.68Å; R42-E92 IonicContact NH1-OE1 3.97Å; R42-E92 PolarHBondContact NH1-OE1 2.86Å; R42-E92 IonicContact NH1-OE2 3.86Å; R42-E92 VanDerWaalsContact NH2-CD 3.33Å; R42-E92 IonicContact NH2-OE1 3.43Å; R42-E92 PolarHBondContact NH2-OE1 2.84Å; R42-E92 IonicContact NH2-OE2 3.47Å; R42-E92 PolarHBondContact NH2-OE2 3.47Å
43R95.9Very high94Very high105 Ų10575.1 Ų75.140%0.39639%0.392SS..EExtended strand (participates in β ladder)trans-80128.2176.1-172.6174.863.9162.91.7111.7E36 L38 Q45 T59E36-R43 VanDerWaalsContact CD-CD 3.43Å; E36-R43 HydrophobicContact CG-CG 3.83Å; E36-R43 WeakPolarHBondContact OE2-CD 3.36Å; E36-R43 IonicContact OE2-NH1 3.21Å; L38-R43 HydrophobicContact CD2-CB 4Å; L38-R43 HydrophobicContact CD2-CG 4.37Å; R43-Q45 HydrophobicContact CG-CG 4.37Å; R43-T59 PolarHBondContact O-OG1 2.91Å
44Y97.4Very high94.4Very high0 Ų071 Ų710%037%0.374CS..EExtended strand (participates in β ladder)trans-119.7119.9169.8-68-93.1000108.3E36 I37 I39 R42 V57 T59 L81 I84 H85 I88E36-Y44 WeakPolarHBondContact CA-O 3.32Å; I37-Y44 PolarHBondContact N-O 3.45Å; I37-Y44 PolarHBondContact O-N 2.92Å; I39-Y44 HydrophobicContact CB-CD2 4.19Å; I39-Y44 HydrophobicContact CB-CE2 3.98Å; I39-Y44 HydrophobicContact CD1-CD2 3.97Å; I39-Y44 HydrophobicContact CD1-CE2 4.11Å; I39-Y44 HydrophobicContact CG1-CD2 4.09Å; I39-Y44 HydrophobicContact CG1-CE2 4.29Å; R42-Y44 HydrophobicContact CB-CE2 3.86Å; R42-Y44 VanDerWaalsContact CD-OH 3.31Å; R42-Y44 WeakPolarHBondContact CD-OH 3.29Å; R42-Y44 HydrophobicContact CG-CD2 4.36Å; R42-Y44 HydrophobicContact CG-CE2 3.69Å; R42-Y44 WeakPolarHBondContact O-CD2 3.44Å; Y44-V57 HydrophobicContact CD1-CG1 3.93Å; Y44-T59 HydrophobicContact CD1-CG2 4.09Å; Y44-T59 HydrophobicContact CE1-CG2 3.78Å; Y44-L81 HydrophobicContact CD1-CD2 4.23Å; Y44-I84 HydrophobicContact CE1-CG2 4.48Å; Y44-H85 HydrophobicContact CE2-CB 4.32Å; Y44-H85 AromaticContact CE2-ND1 3.58Å; Y44-H85 AromaticContact CZ-ND1 3.59Å; Y44-H85 VanDerWaalsContact OH-CA 3.29Å; Y44-H85 WeakPolarHBondContact OH-CA 3.26Å; Y44-H85 WeakPolarHBondContact OH-CB 3.37Å; Y44-H85 PolarHBondContact OH-ND1 3.13Å; Y44-I88 HydrophobicContact CE1-CD1 4.22Å
45Q96.8Very high94.5Very high26 Ų2669.2 Ų69.212%0.12137%0.366CS..EExtended strand (participates in β ladder)trans-100.4133.3169.7-70.6176.4-44.700107.7F34 E35 E36 R43 V57 V58F34-Q45 HydrophobicContact CB-CB 3.99Å; F34-Q45 HydrophobicContact CD1-CB 4.31Å; E35-Q45 CarbonylContact O-C 3.51Å; E35-Q45 WeakPolarHBondContact O-CA 3.43Å; E36-Q45 HydrophobicContact CB-CG 4.49Å; E36-Q45 HydrophobicContact CG-CG 4.36Å; R43-Q45 HydrophobicContact CG-CG 4.37Å; Q45-V57 CarbonylContact O-C 3.43Å; Q45-V57 WeakPolarHBondContact O-CA 3.3Å; Q45-V58 HydrophobicContact CB-CB 4.24Å; Q45-V58 PolarHBondContact N-O 2.78Å; Q45-V58 PolarHBondContact O-N 2.93Å
46F96.6Very high94.5Very high5 Ų566 Ų662%0.02235%0.354CS..EExtended strand (participates in β ladder)trans-142.8159.1-177.766.5-83.5000112.5F34 E35 I37 L48 T56 V57 Y77 L81F34-F46 CarbonylContact C-O 3.5Å; F34-F46 WeakPolarHBondContact CA-O 3.49Å; F34-F46 WeakPolarHBondContact CB-O 3.39Å; F34-F46 VanDerWaalsContact CD1-C 3.43Å; E35-F46 HydrophobicContact CB-CD1 4.42Å; E35-F46 HydrophobicContact CB-CD2 4.39Å; E35-F46 HydrophobicContact CB-CE1 3.94Å; E35-F46 HydrophobicContact CB-CE2 3.91Å; E35-F46 HydrophobicContact CB-CZ 3.66Å; E35-F46 PolarHBondContact N-O 3.29Å; E35-F46 PolarHBondContact O-N 3.49Å; I37-F46 HydrophobicContact CB-CE1 4.09Å; I37-F46 HydrophobicContact CG2-CD1 4.1Å; I37-F46 HydrophobicContact CG2-CE1 3.85Å; F46-L48 HydrophobicContact CD2-CD2 4.49Å; F46-L48 HydrophobicContact CD2-CG 4.37Å; F46-L48 HydrophobicContact CE2-CG 4.38Å; F46-T56 CarbonylContact C-O 3.5Å; F46-T56 WeakPolarHBondContact CA-O 3.35Å; F46-T56 WeakPolarHBondContact CB-O 3.48Å; F46-V57 HydrophobicContact CB-CG2 4.37Å; F46-Y77 HydrophobicContact CD2-CD2 4.27Å; F46-Y77 HydrophobicContact CD2-CE2 4.49Å; F46-Y77 HydrophobicContact CE1-CE2 4.41Å; F46-Y77 AromaticContact CE2-CD2 3.73Å; F46-Y77 HydrophobicContact CE2-CD2 3.73Å; F46-Y77 AromaticContact CE2-CE2 3.55Å; F46-Y77 HydrophobicContact CE2-CE2 3.55Å; F46-Y77 HydrophobicContact CZ-CD2 4.03Å; F46-Y77 AromaticContact CZ-CE2 3.5Å; F46-Y77 HydrophobicContact CZ-CE2 3.5Å; F46-Y77 VanDerWaalsContact CZ-CE2 3.5Å; F46-L81 HydrophobicContact CD1-CD1 3.81Å; F46-L81 HydrophobicContact CE1-CD1 4.13Å; F46-L81 HydrophobicContact CG-CD1 4.09Å
47R95.2Very high94.5Very high143 Ų14361 Ų6154%0.5433%0.331SS..EExtended strand (participates in β ladder)trans-138.5127.4171.4-175.7179176-170.31.1109.4F34 M55 T56F34-R47 HydrophobicContact CD1-CB 4.1Å; F34-R47 HydrophobicContact CD2-CB 4.12Å; F34-R47 HydrophobicContact CE1-CB 4.04Å; F34-R47 HydrophobicContact CE2-CB 4.06Å; F34-R47 HydrophobicContact CG-CB 4.13Å; F34-R47 HydrophobicContact CZ-CB 4.01Å; R47-M55 WeakPolarHBondContact O-CA 3.27Å; R47-T56 PolarHBondContact N-O 3.48Å; R47-T56 PolarHBondContact O-N 2.84Å
48L94.4Very high94.5Very high46 Ų4659.3 Ų59.324%0.24132%0.322CS..EExtended strand (participates in β ladder)trans-80.5149.8175.4-61.9175.7000111.2F46 L54 M55 T73 Y77F46-L48 HydrophobicContact CD2-CD2 4.49Å; F46-L48 HydrophobicContact CD2-CG 4.37Å; F46-L48 HydrophobicContact CE2-CG 4.38Å; L48-L54 CarbonylContact C-O 3.59Å; L48-M55 HydrophobicContact CD2-CB 3.87Å; L48-T73 HydrophobicContact CD2-CG2 4.02Å; L48-Y77 HydrophobicContact CD1-CD1 3.97Å; L48-Y77 HydrophobicContact CD1-CE1 4.21Å; L48-Y77 HydrophobicContact CD1-CG 4.34Å; L48-Y77 HydrophobicContact CD2-CD1 4.3Å; L48-Y77 HydrophobicContact CD2-CG 3.97Å
49S92.2Very high94.4Very high40 Ų4054 Ų5428%0.2829%0.294SS..  trans-63.5162.7163.676.10000109.8K51 G52 D53 L54S49-K51 PolarHBondContact O-N 2.91Å; S49-K51 PolarHBondContact OG-N 3.42Å; S49-G52 PolarHBondContact O-N 2.85Å; S49-G52 PolarHBondContact OG-N 3.49Å; S49-G52 VanDerWaalsContact OG-N 3.12Å; S49-D53 PolarHBondContact OG-N 2.78Å; S49-D53 PolarHBondContact OG-OD1 2.94Å; S49-L54 PolarHBondContact N-O 3.07Å; S49-L54 PolarHBondContact OG-N 3.31Å
50S90.1Very high94.3Very high139 Ų13956.1 Ų56.197%0.97230%0.304SS*.THydrogen-bonded Turntrans-58.9-21.1175.4-54.20000113.8
51K89.3Confident94.1Very high175 Ų17549.5 Ų49.576%0.76127%0.268SS*.THydrogen-bonded Turntrans-94.7-10.7176.6-67.1-177.3179.4-1790113.2S49 D53S49-K51 PolarHBondContact O-N 2.91Å; S49-K51 PolarHBondContact OG-N 3.42Å; K51-D53 PolarHBondContact O-N 3.2Å
52G89.3Confident93.9Very high24 Ų2449 Ų4925%0.24726%0.258CS..SBendtrans72.23.8-175.300000115S49 T73S49-G52 PolarHBondContact O-N 2.85Å; S49-G52 PolarHBondContact OG-N 3.49Å; S49-G52 VanDerWaalsContact OG-N 3.12Å; G52-T73 WeakPolarHBondContact O-CG2 3.48Å; G52-T73 PolarHBondContact O-OG1 2.87Å
53D90.2Very high93.6Very high45 Ų4550 Ų5024%0.24128%0.284CS..SBendtrans-81.5-29-178.860.5-14.9000112.9S49 K51 W72 T73S49-D53 PolarHBondContact OG-N 2.78Å; S49-D53 PolarHBondContact OG-OD1 2.94Å; K51-D53 PolarHBondContact O-N 3.2Å; D53-W72 WeakPolarHBondContact O-CA 3.41Å; D53-T73 PolarHBondContact O-N 3.12Å; D53-T73 PolarHBondContact O-OG1 2.99Å
54L93.6Very high93.3Very high58 Ų5849.3 Ų49.330%0.30428%0.281SS..EExtended strand (participates in β ladder)trans-119.4149.4178.8-60.6171000110.1L48 S49 V71 W72L48-L54 CarbonylContact C-O 3.59Å; S49-L54 PolarHBondContact N-O 3.07Å; S49-L54 PolarHBondContact OG-N 3.31Å; L54-V71 CarbonylContact C-O 3.52Å; L54-V71 WeakPolarHBondContact CA-O 3.18Å; L54-W72 HydrophobicContact CD2-CB 4.39Å
55M95.2Very high93.1Very high2 Ų249.8 Ų49.81%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-132.3149.1170.672.5172.9147.800112.3R47 L48 V57 S70 V71 T73 R80 L81 I84R47-M55 WeakPolarHBondContact O-CA 3.27Å; L48-M55 HydrophobicContact CD2-CB 3.87Å; M55-V57 HydrophobicContact CE-CG2 4.23Å; M55-V57 HydrophobicContact CG-CG2 3.68Å; M55-V57 HydrophobicContact SD-CG2 3.44Å; M55-V57 WeakPolarHBondContact SD-CG2 3.22Å; M55-S70 PolarHBondContact O-N 2.95Å; M55-V71 HydrophobicContact CE-CB 4.48Å; M55-V71 HydrophobicContact CE-CG1 4.05Å; M55-V71 HydrophobicContact CG-CB 3.99Å; M55-V71 PolarHBondContact N-O 3.45Å; M55-V71 PolarHBondContact O-N 3.08Å; M55-T73 HydrophobicContact CB-CG2 3.99Å; M55-T73 HydrophobicContact CG-CG2 4.15Å; M55-R80 HydrophobicContact CE-CB 3.58Å; M55-R80 HydrophobicContact CE-CG 3.24Å; M55-L81 HydrophobicContact CE-CD2 4.26Å; M55-L81 HydrophobicContact CE-CG 4.15Å; M55-L81 HydrophobicContact SD-CD2 3.93Å; M55-L81 HydrophobicContact SD-CG 3.95Å; M55-I84 HydrophobicContact CE-CD1 3.87Å
56T95.1Very high93Very high39 Ų3948.6 Ų48.624%0.23928%0.28CS..EExtended strand (participates in β ladder)trans-104.5131.5163.7-57.60000108F34 F46 R47 L67 L68 V69F34-T56 HydrophobicContact CE1-CG2 3.88Å; F34-T56 HydrophobicContact CZ-CG2 3.89Å; F46-T56 CarbonylContact C-O 3.5Å; F46-T56 WeakPolarHBondContact CA-O 3.35Å; F46-T56 WeakPolarHBondContact CB-O 3.48Å; R47-T56 PolarHBondContact N-O 3.48Å; R47-T56 PolarHBondContact O-N 2.84Å; T56-L67 HydrophobicContact CG2-CD1 3.48Å; T56-L67 VanDerWaalsContact CG2-CD1 3.48Å; T56-L67 HydrophobicContact CG2-CG 4.36Å; T56-L68 CarbonylContact C-O 3.51Å; T56-L68 VanDerWaalsContact CA-O 3.29Å; T56-L68 WeakPolarHBondContact CA-O 3.49Å; T56-V69 HydrophobicContact CG2-CG1 4.35Å
57V96.3Very high92.9Very high0 Ų049.1 Ų49.10%028%0.282CS..EExtended strand (participates in β ladder)trans-123.8135-175.7-171.10000109.8Y44 Q45 F46 M55 L67 L68 L81Y44-V57 HydrophobicContact CD1-CG1 3.93Å; Q45-V57 CarbonylContact O-C 3.43Å; Q45-V57 WeakPolarHBondContact O-CA 3.3Å; F46-V57 HydrophobicContact CB-CG2 4.37Å; M55-V57 HydrophobicContact CE-CG2 4.23Å; M55-V57 HydrophobicContact CG-CG2 3.68Å; M55-V57 HydrophobicContact SD-CG2 3.44Å; M55-V57 WeakPolarHBondContact SD-CG2 3.22Å; V57-L67 CarbonylContact O-C 3.45Å; V57-L67 WeakPolarHBondContact O-CA 3.28Å; V57-L68 HydrophobicContact CB-CB 4.14Å; V57-L68 HydrophobicContact CB-CD1 4.32Å; V57-L68 HydrophobicContact CB-CG 4.45Å; V57-L68 PolarHBondContact N-O 3.49Å; V57-L68 PolarHBondContact O-N 3.15Å; V57-L81 HydrophobicContact CB-CD2 4.41Å; V57-L81 HydrophobicContact CG1-CD2 3.68Å; V57-L81 HydrophobicContact CG2-CD2 3.77Å
58V96Very high92.8Very high2 Ų242.3 Ų42.31%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-118.1127.3171.5175.50000108.3I24 L26 I31 F34 Q45 V66 L67I24-V58 HydrophobicContact CD1-CG1 4.28Å; I24-V58 HydrophobicContact CD1-CG2 4.4Å; L26-V58 HydrophobicContact CD2-CG1 3.63Å; I31-V58 HydrophobicContact CD1-CG1 4.2Å; I31-V58 HydrophobicContact CG2-CG2 4.2Å; F34-V58 HydrophobicContact CD1-CG2 4.41Å; F34-V58 HydrophobicContact CE1-CG2 4.05Å; Q45-V58 HydrophobicContact CB-CB 4.24Å; Q45-V58 PolarHBondContact N-O 2.78Å; Q45-V58 PolarHBondContact O-N 2.93Å; V58-V66 VanDerWaalsContact CA-O 3.32Å; V58-V66 WeakPolarHBondContact CA-O 3.28Å; V58-L67 HydrophobicContact CG2-CD1 3.41Å; V58-L67 VanDerWaalsContact CG2-CD1 3.41Å
59T96Very high92.7Very high2 Ų242.1 Ų42.11%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-151.2-173.9174.8-166.40000109.9R43 Y44 A65 V66 I88R43-T59 PolarHBondContact O-OG1 2.91Å; Y44-T59 HydrophobicContact CD1-CG2 4.09Å; Y44-T59 HydrophobicContact CE1-CG2 3.78Å; T59-A65 WeakPolarHBondContact O-CA 3.26Å; T59-V66 HydrophobicContact CG2-CG2 3.63Å; T59-V66 PolarHBondContact N-O 2.66Å; T59-V66 VanDerWaalsContact N-O 3.12Å; T59-V66 PolarHBondContact O-N 3.37Å; T59-I88 HydrophobicContact CG2-CD1 3.86Å
60H94.1Very high92.7Very high62 Ų6243.1 Ų43.129%0.28727%0.265SS..EExtended strand (participates in β ladder)trans-110.3145.2171.8-67.568.7000109.9R42 R64R42-H60 PolarHBondContact NH1-O 2.66Å; H60-R64 CarbonylContact C-O 3.58Å; H60-R64 VanDerWaalsContact CA-O 3.23Å; H60-R64 WeakPolarHBondContact CA-O 3.22Å
61I92.9Very high92.8Very high0 Ų036.5 Ų36.50%022%0.218CC..EExtended strand (participates in β ladder)trans-131.8125.4167-55.5-177.2000107.3F17 F21 G63 R64 V66 I88 M91 E92 I97F17-I61 HydrophobicContact CE1-CD1 4.09Å; F21-I61 HydrophobicContact CE2-CD1 3.71Å; F21-I61 HydrophobicContact CZ-CD1 4.42Å; I61-G63 PolarHBondContact O-N 3.21Å; I61-G63 VanDerWaalsContact O-N 3.15Å; I61-R64 PolarHBondContact N-O 3.25Å; I61-R64 PolarHBondContact O-N 2.97Å; I61-V66 HydrophobicContact CB-CG1 4.24Å; I61-V66 HydrophobicContact CD1-CG1 4.21Å; I61-V66 HydrophobicContact CD1-CG2 3.94Å; I61-V66 HydrophobicContact CG1-CG1 4.11Å; I61-V66 HydrophobicContact CG1-CG2 3.84Å; I61-I88 HydrophobicContact CD1-CD1 3.91Å; I61-I88 HydrophobicContact CD1-CG1 3.75Å; I61-I88 HydrophobicContact CD1-CG2 4.27Å; I61-I88 HydrophobicContact CG1-CD1 4.02Å; I61-I88 HydrophobicContact CG1-CG1 4.13Å; I61-I88 HydrophobicContact CG1-CG2 3.87Å; I61-I88 HydrophobicContact CG2-CG2 4.27Å; I61-M91 HydrophobicContact CD1-CE 4.12Å; I61-E92 WeakPolarHBondContact CA-OE1 3.4Å; I61-E92 HydrophobicContact CG2-CG 4.02Å; I61-I97 HydrophobicContact CG2-CD1 4.29Å; I61-I97 HydrophobicContact CG2-CG1 4.03Å; I61-I97 HydrophobicContact CG2-CG2 3.73Å
62A89.4Confident93Very high64 Ų6430.9 Ų30.953%0.52919%0.192SC..THydrogen-bonded Turntrans45.444.7-175.200000113.7R64 E92 I97A62-R64 VanDerWaalsContact C-N 3.26Å; A62-R64 PolarHBondContact O-N 3.34Å; A62-E92 PolarHBondContact N-OE1 3.35Å; A62-I97 HydrophobicContact CB-CD1 3.57Å
63G88.6Confident93.1Very high72 Ų7229.8 Ų29.874%0.74218%0.181SC*.THydrogen-bonded Turntrans76.40.2178.100000115.7I61I61-G63 PolarHBondContact O-N 3.21Å; I61-G63 VanDerWaalsContact O-N 3.15Å
64R91.4Very high92.9Very high92 Ų9230.2 Ų30.235%0.34718%0.183SC..EExtended strand (participates in β ladder)trans-105137177.2-64.4-177.4175.4-155.2-7.6110.6Y23 H60 I61 A62 D103Y23-R64 HydrophobicContact CD1-CB 3.78Å; Y23-R64 HydrophobicContact CE1-CB 3.7Å; Y23-R64 HydrophobicContact CE1-CG 4.41Å; H60-R64 CarbonylContact C-O 3.58Å; H60-R64 VanDerWaalsContact CA-O 3.23Å; H60-R64 WeakPolarHBondContact CA-O 3.22Å; I61-R64 PolarHBondContact N-O 3.25Å; I61-R64 PolarHBondContact O-N 2.97Å; A62-R64 VanDerWaalsContact C-N 3.26Å; A62-R64 PolarHBondContact O-N 3.34Å; R64-D103 IonicContact NH1-OD2 2.74Å; R64-D103 IonicContact NH2-OD2 3.8Å
65A93.1Very high92.5Very high10 Ų1034.4 Ų34.48%0.08320%0.203CC..EExtended strand (participates in β ladder)trans-70.613717500000111I24 L26 T59I24-A65 HydrophobicContact CG1-CB 4.08Å; I24-A65 PolarHBondContact N-O 3.06Å; L26-A65 HydrophobicContact CD1-CB 3.75Å; L26-A65 HydrophobicContact CD2-CB 3.94Å; L26-A65 HydrophobicContact CG-CB 3.52Å; T59-A65 WeakPolarHBondContact O-CA 3.26Å
66V94.2Very high92.4Very high1 Ų137.7 Ų37.71%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-131150.3-179.7-55.20000110.2F21 Q22 Y23 V58 T59 I61F21-V66 HydrophobicContact CE2-CB 3.73Å; F21-V66 HydrophobicContact CE2-CG1 3.59Å; F21-V66 HydrophobicContact CE2-CG2 4.15Å; F21-V66 HydrophobicContact CZ-CB 4.07Å; F21-V66 HydrophobicContact CZ-CG1 3.52Å; Q22-V66 CarbonylContact O-C 3.52Å; Q22-V66 VanDerWaalsContact O-CA 3.3Å; Q22-V66 WeakPolarHBondContact O-CA 3.38Å; Y23-V66 HydrophobicContact CD1-CG1 3.72Å; Y23-V66 HydrophobicContact CE1-CG1 3.73Å; V58-V66 VanDerWaalsContact CA-O 3.32Å; V58-V66 WeakPolarHBondContact CA-O 3.28Å; T59-V66 HydrophobicContact CG2-CG2 3.63Å; T59-V66 PolarHBondContact N-O 2.66Å; T59-V66 VanDerWaalsContact N-O 3.12Å; T59-V66 PolarHBondContact O-N 3.37Å; I61-V66 HydrophobicContact CB-CG1 4.24Å; I61-V66 HydrophobicContact CD1-CG1 4.21Å; I61-V66 HydrophobicContact CD1-CG2 3.94Å; I61-V66 HydrophobicContact CG1-CG1 4.11Å; I61-V66 HydrophobicContact CG1-CG2 3.84Å
67L93.7Very high92.4Very high15 Ų1539.2 Ų39.28%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-119.8126175.2-176.771.2000108.5Q22 I24 Y29 T56 V57 V58 V69Q22-L67 PolarHBondContact N-O 3.12Å; Q22-L67 PolarHBondContact O-N 3Å; I24-L67 HydrophobicContact CD1-CB 4.05Å; I24-L67 HydrophobicContact CG1-CB 4.26Å; I24-L67 HydrophobicContact CG2-CB 3.68Å; I24-L67 HydrophobicContact CG2-CD2 4.24Å; Y29-L67 HydrophobicContact CE1-CD2 3.99Å; T56-L67 HydrophobicContact CG2-CD1 3.48Å; T56-L67 VanDerWaalsContact CG2-CD1 3.48Å; T56-L67 HydrophobicContact CG2-CG 4.36Å; V57-L67 CarbonylContact O-C 3.45Å; V57-L67 WeakPolarHBondContact O-CA 3.28Å; V58-L67 HydrophobicContact CG2-CD1 3.41Å; V58-L67 VanDerWaalsContact CG2-CD1 3.41Å; L67-V69 HydrophobicContact CD1-CG1 4.45Å; L67-V69 HydrophobicContact CD2-CG1 3.57Å; L67-V69 HydrophobicContact CG-CG1 3.69Å
68L94.2Very high92.4Very high0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-106.4115.1168.3-49.5178.3000107.9V16 F17 K20 F21 T56 V57 V71 I84V16-L68 HydrophobicContact CG1-CD1 4.04Å; V16-L68 HydrophobicContact CG1-CD2 4.21Å; V16-L68 HydrophobicContact CG1-CG 4.5Å; F17-L68 HydrophobicContact CD1-CD2 4.39Å; F17-L68 HydrophobicContact CE1-CD1 4.46Å; F17-L68 HydrophobicContact CE1-CD2 4.16Å; F17-L68 HydrophobicContact CZ-CD1 4.34Å; K20-L68 CarbonylContact O-C 3.53Å; K20-L68 VanDerWaalsContact O-CA 3.26Å; K20-L68 WeakPolarHBondContact O-CA 3.16Å; F21-L68 HydrophobicContact CB-CD2 4.13Å; F21-L68 HydrophobicContact CD2-CD2 3.59Å; F21-L68 HydrophobicContact CE2-CD2 4.47Å; F21-L68 HydrophobicContact CG-CD2 4.32Å; T56-L68 CarbonylContact C-O 3.51Å; T56-L68 VanDerWaalsContact CA-O 3.29Å; T56-L68 WeakPolarHBondContact CA-O 3.49Å; V57-L68 HydrophobicContact CB-CB 4.14Å; V57-L68 HydrophobicContact CB-CD1 4.32Å; V57-L68 HydrophobicContact CB-CG 4.45Å; V57-L68 PolarHBondContact N-O 3.49Å; V57-L68 PolarHBondContact O-N 3.15Å; L68-V71 HydrophobicContact CB-CG2 3.67Å; L68-I84 HydrophobicContact CD1-CD1 4.13Å; L68-I84 HydrophobicContact CD1-CG2 3.65Å
69V92.1Very high92.3Very high42 Ų4248.1 Ų48.126%0.25526%0.262SS..EExtended strand (participates in β ladder)trans-101.8141.5-176-65.40000112.2K20 T56 L67 V71K20-V69 HydrophobicContact CB-CG2 4.44Å; K20-V69 VanDerWaalsContact CB-O 3.3Å; K20-V69 WeakPolarHBondContact CB-O 3.37Å; K20-V69 WeakPolarHBondContact CD-O 3.41Å; K20-V69 WeakPolarHBondContact CG-O 3.21Å; K20-V69 PolarHBondContact O-N 2.93Å; T56-V69 HydrophobicContact CG2-CG1 4.35Å; L67-V69 HydrophobicContact CD1-CG1 4.45Å; L67-V69 HydrophobicContact CD2-CG1 3.57Å; L67-V69 HydrophobicContact CG-CG1 3.69Å; V69-V71 VanDerWaalsContact C-N 3.27Å; V69-V71 PolarHBondContact O-N 3.49Å
70S91.3Very high92.3Very high62 Ų6248.5 Ų48.543%0.43426%0.263SS..EExtended strand (participates in β ladder)trans52.941.2173.3-55.80000113.9K20 M55K20-S70 PolarHBondContact NZ-O 3.2Å; M55-S70 PolarHBondContact O-N 2.95Å
71V93.2Very high92.4Very high0 Ų045.5 Ų45.50%025%0.25CC..EExtended strand (participates in β ladder)trans-75.9125.3176.1-179.70000109.1V16 L54 M55 L68 V69 T73 R80 I84V16-V71 HydrophobicContact CG1-CG2 3.93Å; V16-V71 HydrophobicContact CG2-CG1 3.96Å; V16-V71 HydrophobicContact CG2-CG2 4.35Å; L54-V71 CarbonylContact C-O 3.52Å; L54-V71 WeakPolarHBondContact CA-O 3.18Å; M55-V71 HydrophobicContact CE-CB 4.48Å; M55-V71 HydrophobicContact CE-CG1 4.05Å; M55-V71 HydrophobicContact CG-CB 3.99Å; M55-V71 PolarHBondContact N-O 3.45Å; M55-V71 PolarHBondContact O-N 3.08Å; L68-V71 HydrophobicContact CB-CG2 3.67Å; V69-V71 VanDerWaalsContact C-N 3.27Å; V69-V71 PolarHBondContact O-N 3.49Å; V71-T73 PolarHBondContact O-N 2.92Å; V71-R80 HydrophobicContact CG1-CG 4.26Å; V71-I84 HydrophobicContact CG1-CD1 4.1Å
72W93Very high92.6Very high57 Ų5751.3 Ų51.322%0.21627%0.271CS..EExtended strand (participates in β ladder)trans-66.7132.9175-156.850.7000111.1A8 A10 D11 D53 L54 N74 R80A8-W72 HydrophobicContact CB-CH2 4.37Å; A8-W72 HydrophobicContact CB-CZ2 3.83Å; A8-W72 WeakPolarHBondContact O-CH2 3.22Å; A8-W72 WeakPolarHBondContact O-CZ2 3.37Å; A8-W72 WeakPolarHBondContact O-CZ3 3.46Å; A10-W72 HydrophobicContact CB-CE3 3.47Å; A10-W72 VanDerWaalsContact CB-CE3 3.47Å; A10-W72 HydrophobicContact CB-CZ3 3.52Å; A10-W72 VanDerWaalsContact N-CZ3 3.31Å; D11-W72 WeakPolarHBondContact OD2-CB 3.05Å; D11-W72 PolarHBondContact OD2-N 3.28Å; D53-W72 WeakPolarHBondContact O-CA 3.41Å; L54-W72 HydrophobicContact CD2-CB 4.39Å; W72-N74 VanDerWaalsContact C-N 3.32Å; W72-R80 WeakPolarHBondContact O-CG 3.47Å; W72-R80 PolarHBondContact O-NE 2.88Å
73T90.2Very high92.9Very high0 Ų050.9 Ų50.90%026%0.259CS..  trans-82.1-12.6-17561.80000112.7L48 G52 D53 M55 V71 M75 D76L48-T73 HydrophobicContact CD2-CG2 4.02Å; G52-T73 WeakPolarHBondContact O-CG2 3.48Å; G52-T73 PolarHBondContact O-OG1 2.87Å; D53-T73 PolarHBondContact O-N 3.12Å; D53-T73 PolarHBondContact O-OG1 2.99Å; M55-T73 HydrophobicContact CB-CG2 3.99Å; M55-T73 HydrophobicContact CG-CG2 4.15Å; V71-T73 PolarHBondContact O-N 2.92Å; T73-M75 PolarHBondContact O-N 3Å; T73-M75 PolarHBondContact OG1-N 3.16Å; T73-D76 CarbonylContact O-C 3.17Å; T73-D76 PolarHBondContact O-N 2.72Å
74N87Confident93.3Very high54 Ų5447.5 Ų47.529%0.28922%0.223SC..THydrogen-bonded Turntrans5528.9-167.9-53.8-26.4000112.3A10 W72 D76A10-N74 VanDerWaalsContact CB-OD1 3.28Å; A10-N74 WeakPolarHBondContact CB-OD1 3.44Å; W72-N74 VanDerWaalsContact C-N 3.32Å; N74-D76 PolarHBondContact O-N 3.2Å; N74-D76 VanDerWaalsContact O-N 3.16Å
75M86.2Confident93.6Very high146 Ų14643.2 Ų43.272%0.71921%0.207SC*.THydrogen-bonded Turntrans62.59.4-172.6-52.4-60.2-65.700115T73T73-M75 PolarHBondContact O-N 3Å; T73-M75 PolarHBondContact OG1-N 3.16Å
76D93Very high93.8Very high72 Ų7248.1 Ų48.139%0.38523%0.228SC..  trans-143.686.6175.6-176.8-14000109.6T73 N74 E78 K79 R80T73-D76 CarbonylContact O-C 3.17Å; T73-D76 PolarHBondContact O-N 2.72Å; N74-D76 PolarHBondContact O-N 3.2Å; N74-D76 VanDerWaalsContact O-N 3.16Å; D76-E78 VanDerWaalsContact C-N 3.29Å; D76-E78 PolarHBondContact O-N 2.83Å; D76-E78 PolarHBondContact OD1-N 2.73Å; D76-K79 HydrophobicContact CB-CB 4.09Å; D76-K79 PolarHBondContact O-N 3.29Å; D76-K79 WeakPolarHBondContact OD1-CB 3.31Å; D76-K79 PolarHBondContact OD1-N 3.21Å; D76-K79 VanDerWaalsContact OD2-CB 3.27Å; D76-K79 WeakPolarHBondContact OD2-CB 3.33Å; D76-R80 WeakPolarHBondContact O-CB 3.36Å; D76-R80 PolarHBondContact O-N 2.9Å
77Y94.3Very high93.8Very high70 Ų7050.2 Ų50.228%0.27524%0.238SC..Hα-helixtrans-64.8-32-175.373.6-89.8000112.7F46 L48 R80 L81F46-Y77 HydrophobicContact CD2-CD2 4.27Å; F46-Y77 HydrophobicContact CD2-CE2 4.49Å; F46-Y77 HydrophobicContact CE1-CE2 4.41Å; F46-Y77 AromaticContact CE2-CD2 3.73Å; F46-Y77 HydrophobicContact CE2-CD2 3.73Å; F46-Y77 AromaticContact CE2-CE2 3.55Å; F46-Y77 HydrophobicContact CE2-CE2 3.55Å; F46-Y77 HydrophobicContact CZ-CD2 4.03Å; F46-Y77 AromaticContact CZ-CE2 3.5Å; F46-Y77 HydrophobicContact CZ-CE2 3.5Å; F46-Y77 VanDerWaalsContact CZ-CE2 3.5Å; L48-Y77 HydrophobicContact CD1-CD1 3.97Å; L48-Y77 HydrophobicContact CD1-CE1 4.21Å; L48-Y77 HydrophobicContact CD1-CG 4.34Å; L48-Y77 HydrophobicContact CD2-CD1 4.3Å; L48-Y77 HydrophobicContact CD2-CG 3.97Å; Y77-R80 PolarHBondContact O-N 3.11Å; Y77-L81 HydrophobicContact CD2-CD1 4.13Å; Y77-L81 WeakPolarHBondContact O-CB 3.29Å; Y77-L81 WeakPolarHBondContact O-CG 3.43Å; Y77-L81 PolarHBondContact O-N 3.06Å
78E95.8Very high93.9Very high71 Ų7149.5 Ų49.533%0.33223%0.234SC..Hα-helixtrans-69.1-46.2179.5-67.9-167.3-176.600111.1D76 R80 L81 R82D76-E78 VanDerWaalsContact C-N 3.29Å; D76-E78 PolarHBondContact O-N 2.83Å; D76-E78 PolarHBondContact OD1-N 2.73Å; E78-R80 PolarHBondContact O-N 2.84Å; E78-L81 PolarHBondContact O-N 2.8Å; E78-R82 WeakPolarHBondContact O-CG 3.42Å; E78-R82 PolarHBondContact O-N 2.75Å; E78-R82 IonicContact OE2-CZ 3.77Å; E78-R82 IonicContact OE2-NH1 2.65Å; E78-R82 PolarHBondContact OE2-NH1 3.41Å; E78-R82 IonicContact OE2-NH2 3.15Å; E78-R82 PolarHBondContact OE2-NH2 2.87Å; E78-R82 VanDerWaalsContact OE2-NH2 3.15Å
79K95.1Very high94Very high118 Ų11852.5 Ų52.551%0.51325%0.25SC..Hα-helixtrans-58.4-43.3173.4-179.3-177175-174.40110.3D76 L81 R82 E83D76-K79 HydrophobicContact CB-CB 4.09Å; D76-K79 PolarHBondContact O-N 3.29Å; D76-K79 WeakPolarHBondContact OD1-CB 3.31Å; D76-K79 PolarHBondContact OD1-N 3.21Å; D76-K79 VanDerWaalsContact OD2-CB 3.27Å; D76-K79 WeakPolarHBondContact OD2-CB 3.33Å; K79-L81 PolarHBondContact O-N 3.46Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 PolarHBondContact O-N 3.35Å; K79-R82 VanDerWaalsContact O-N 3.14Å; K79-E83 PolarHBondContact O-N 3.28Å
80R94.9Very high94.1Very high10 Ų1055.1 Ų55.14%0.03826%0.259CS..Hα-helixtrans-63.2-40.1178.3-171.560.2167.9172.9-0.6112.8D11 M55 V71 W72 D76 Y77 E78 R82 E83 I84D11-R80 PolarHBondContact O-NH2 2.82Å; M55-R80 HydrophobicContact CE-CB 3.58Å; M55-R80 HydrophobicContact CE-CG 3.24Å; V71-R80 HydrophobicContact CG1-CG 4.26Å; W72-R80 WeakPolarHBondContact O-CG 3.47Å; W72-R80 PolarHBondContact O-NE 2.88Å; D76-R80 WeakPolarHBondContact O-CB 3.36Å; D76-R80 PolarHBondContact O-N 2.9Å; Y77-R80 PolarHBondContact O-N 3.11Å; E78-R80 PolarHBondContact O-N 2.84Å; R80-R82 VanDerWaalsContact C-N 3.31Å; R80-R82 PolarHBondContact O-N 2.86Å; R80-E83 VanDerWaalsContact CD-OE2 3.28Å; R80-E83 WeakPolarHBondContact CD-OE2 3.47Å; R80-E83 IonicContact CZ-OE2 3.89Å; R80-E83 IonicContact NE-OE2 3.5Å; R80-E83 IonicContact NH1-OE2 3.9Å; R80-E83 PolarHBondContact NH1-OE2 2.91Å; R80-E83 WeakPolarHBondContact O-CB 3.29Å; R80-E83 PolarHBondContact O-N 2.98Å; R80-I84 HydrophobicContact CG-CD1 4.28Å; R80-I84 VanDerWaalsContact O-CG1 3.29Å; R80-I84 WeakPolarHBondContact O-CG1 3.34Å; R80-I84 PolarHBondContact O-N 3.23Å
81L97Very high94.1Very high0 Ų052.5 Ų52.50%024%0.241CC..Hα-helixtrans-63-37.5173.6-76.5171.3000111.9I37 I39 Y44 F46 M55 V57 Y77 E78 K79 I84 H85I37-L81 HydrophobicContact CG2-CD1 3.79Å; I39-L81 HydrophobicContact CD1-CB 4.03Å; Y44-L81 HydrophobicContact CD1-CD2 4.23Å; F46-L81 HydrophobicContact CD1-CD1 3.81Å; F46-L81 HydrophobicContact CE1-CD1 4.13Å; F46-L81 HydrophobicContact CG-CD1 4.09Å; M55-L81 HydrophobicContact CE-CD2 4.26Å; M55-L81 HydrophobicContact CE-CG 4.15Å; M55-L81 HydrophobicContact SD-CD2 3.93Å; M55-L81 HydrophobicContact SD-CG 3.95Å; V57-L81 HydrophobicContact CB-CD2 4.41Å; V57-L81 HydrophobicContact CG1-CD2 3.68Å; V57-L81 HydrophobicContact CG2-CD2 3.77Å; Y77-L81 HydrophobicContact CD2-CD1 4.13Å; Y77-L81 WeakPolarHBondContact O-CB 3.29Å; Y77-L81 WeakPolarHBondContact O-CG 3.43Å; Y77-L81 PolarHBondContact O-N 3.06Å; E78-L81 PolarHBondContact O-N 2.8Å; K79-L81 PolarHBondContact O-N 3.46Å; L81-I84 PolarHBondContact O-N 2.86Å; L81-H85 VanDerWaalsContact O-CB 3.32Å; L81-H85 WeakPolarHBondContact O-CB 3.34Å; L81-H85 PolarHBondContact O-N 3.36Å
82R97.1Very high94.1Very high121 Ų12155.1 Ų55.146%0.45725%0.253SS..Hα-helixtrans-65.7-39.5173.6-67.4179.6-171.11003.2112.2I39 E78 K79 R80 H85 Q86I39-R82 HydrophobicContact CD1-CG 4.28Å; E78-R82 WeakPolarHBondContact O-CG 3.42Å; E78-R82 PolarHBondContact O-N 2.75Å; E78-R82 IonicContact OE2-CZ 3.77Å; E78-R82 IonicContact OE2-NH1 2.65Å; E78-R82 PolarHBondContact OE2-NH1 3.41Å; E78-R82 IonicContact OE2-NH2 3.15Å; E78-R82 PolarHBondContact OE2-NH2 2.87Å; E78-R82 VanDerWaalsContact OE2-NH2 3.15Å; K79-R82 WeakPolarHBondContact O-CB 3.32Å; K79-R82 PolarHBondContact O-N 3.35Å; K79-R82 VanDerWaalsContact O-N 3.14Å; R80-R82 VanDerWaalsContact C-N 3.31Å; R80-R82 PolarHBondContact O-N 2.86Å; R82-H85 WeakPolarHBondContact O-CB 3.14Å; R82-H85 PolarHBondContact O-N 3.36Å; R82-Q86 WeakPolarHBondContact O-CG 3.42Å; R82-Q86 PolarHBondContact O-N 2.74Å
83E96.1Very high94.1Very high56 Ų5661.6 Ų61.626%0.26228%0.277SS..Hα-helixtrans-61.3-47.8173.9-69.6171.3-173.900111.6K79 R80 H85 Q86 H87K79-E83 PolarHBondContact O-N 3.28Å; R80-E83 VanDerWaalsContact CD-OE2 3.28Å; R80-E83 WeakPolarHBondContact CD-OE2 3.47Å; R80-E83 IonicContact CZ-OE2 3.89Å; R80-E83 IonicContact NE-OE2 3.5Å; R80-E83 IonicContact NH1-OE2 3.9Å; R80-E83 PolarHBondContact NH1-OE2 2.91Å; R80-E83 WeakPolarHBondContact O-CB 3.29Å; R80-E83 PolarHBondContact O-N 2.98Å; E83-H85 VanDerWaalsContact C-N 3.28Å; E83-H85 PolarHBondContact O-N 2.91Å; E83-Q86 PolarHBondContact O-N 2.69Å; E83-H87 PolarHBondContact O-N 3.33Å
84I96.3Very high94.2Very high0 Ų065.1 Ų65.10%030%0.299CS..Hα-helixtrans-58.2-43.9174.8-68.3166.9000110L13 F17 Y44 M55 L68 V71 R80 L81 H87 I88L13-I84 HydrophobicContact CD2-CG1 4.24Å; F17-I84 HydrophobicContact CE2-CG2 4.47Å; F17-I84 HydrophobicContact CZ-CG2 3.88Å; Y44-I84 HydrophobicContact CE1-CG2 4.48Å; M55-I84 HydrophobicContact CE-CD1 3.87Å; L68-I84 HydrophobicContact CD1-CD1 4.13Å; L68-I84 HydrophobicContact CD1-CG2 3.65Å; V71-I84 HydrophobicContact CG1-CD1 4.1Å; R80-I84 HydrophobicContact CG-CD1 4.28Å; R80-I84 VanDerWaalsContact O-CG1 3.29Å; R80-I84 WeakPolarHBondContact O-CG1 3.34Å; R80-I84 PolarHBondContact O-N 3.23Å; L81-I84 PolarHBondContact O-N 2.86Å; I84-H87 PolarHBondContact O-N 2.97Å; I84-I88 HydrophobicContact CG2-CD1 3.82Å; I84-I88 HydrophobicContact CG2-CG1 4.46Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 3.23Å
85H97.3Very high94.2Very high3 Ų365.3 Ų65.31%0.01431%0.314CS..Hα-helixtrans-59.6-50.5178.4177.577.1000112.5I39 D40 Y44 L81 R82 E83 H87 I88 L89I39-H85 HydrophobicContact CD1-CB 4.45Å; I39-H85 HydrophobicContact CG2-CB 4.25Å; D40-H85 IonicContact OD2-NE2 3.49Å; Y44-H85 HydrophobicContact CE2-CB 4.32Å; Y44-H85 AromaticContact CE2-ND1 3.58Å; Y44-H85 AromaticContact CZ-ND1 3.59Å; Y44-H85 VanDerWaalsContact OH-CA 3.29Å; Y44-H85 WeakPolarHBondContact OH-CA 3.26Å; Y44-H85 WeakPolarHBondContact OH-CB 3.37Å; Y44-H85 PolarHBondContact OH-ND1 3.13Å; L81-H85 VanDerWaalsContact O-CB 3.32Å; L81-H85 WeakPolarHBondContact O-CB 3.34Å; L81-H85 PolarHBondContact O-N 3.36Å; R82-H85 WeakPolarHBondContact O-CB 3.14Å; R82-H85 PolarHBondContact O-N 3.36Å; E83-H85 VanDerWaalsContact C-N 3.28Å; E83-H85 PolarHBondContact O-N 2.91Å; H85-H87 VanDerWaalsContact C-N 3.28Å; H85-H87 PolarHBondContact O-N 2.65Å; H85-I88 PolarHBondContact O-N 3.04Å; H85-I88 VanDerWaalsContact O-N 3.15Å; H85-L89 WeakPolarHBondContact NE2-CD1 3.41Å; H85-L89 WeakPolarHBondContact O-CG 3.4Å; H85-L89 PolarHBondContact O-N 2.79Å
86Q97Very high94.3Very high112 Ų11262.8 Ų62.852%0.52331%0.307SS..Hα-helixtrans-60.3-40.1177.9-68.2-57.7-39.400111.7R82 E83 I88 L89 E90R82-Q86 WeakPolarHBondContact O-CG 3.42Å; R82-Q86 PolarHBondContact O-N 2.74Å; E83-Q86 PolarHBondContact O-N 2.69Å; Q86-I88 PolarHBondContact O-N 3.31Å; Q86-L89 PolarHBondContact O-N 2.88Å; Q86-E90 PolarHBondContact O-N 3.19Å
87H95.6Very high93.8Very high45 Ų4561.3 Ų61.321%0.20830%0.298CS..Hα-helixtrans-64.9-39.9176.3-164.368.8000112.6L13 F17 E83 I84 H85 E90 M91L13-H87 HydrophobicContact CD1-CB 4.01Å; L13-H87 HydrophobicContact CD2-CB 4.37Å; F17-H87 AromaticContact CD2-CD2 3.22Å; F17-H87 WeakPolarHBondContact CD2-CD2 3.34Å; F17-H87 AromaticContact CD2-NE2 3.76Å; F17-H87 HydrophobicContact CE2-CB 4.1Å; F17-H87 AromaticContact CE2-CD2 3.28Å; F17-H87 WeakPolarHBondContact CE2-CD2 3.33Å; F17-H87 AromaticContact CE2-CG 3.97Å; F17-H87 AromaticContact CG-CD2 3.92Å; F17-H87 AromaticContact CZ-CD2 3.98Å; E83-H87 PolarHBondContact O-N 3.33Å; I84-H87 PolarHBondContact O-N 2.97Å; H85-H87 VanDerWaalsContact C-N 3.28Å; H85-H87 PolarHBondContact O-N 2.65Å; H87-E90 PolarHBondContact O-N 2.83Å; H87-M91 WeakPolarHBondContact O-CG 3.47Å; H87-M91 PolarHBondContact O-N 3.32Å
88I95.4Very high93Very high0 Ų059.5 Ų59.50%030%0.295CS..Hα-helixtrans-61.8-46.2174.9-70.5170.6000111F17 Y44 T59 I61 I84 H85 Q86 E90 M91 E92F17-I88 HydrophobicContact CE1-CD1 4.38Å; F17-I88 HydrophobicContact CE1-CG1 3.93Å; F17-I88 HydrophobicContact CZ-CD1 4.19Å; F17-I88 HydrophobicContact CZ-CG1 3.72Å; Y44-I88 HydrophobicContact CE1-CD1 4.22Å; T59-I88 HydrophobicContact CG2-CD1 3.86Å; I61-I88 HydrophobicContact CD1-CD1 3.91Å; I61-I88 HydrophobicContact CD1-CG1 3.75Å; I61-I88 HydrophobicContact CD1-CG2 4.27Å; I61-I88 HydrophobicContact CG1-CD1 4.02Å; I61-I88 HydrophobicContact CG1-CG1 4.13Å; I61-I88 HydrophobicContact CG1-CG2 3.87Å; I61-I88 HydrophobicContact CG2-CG2 4.27Å; I84-I88 HydrophobicContact CG2-CD1 3.82Å; I84-I88 HydrophobicContact CG2-CG1 4.46Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.36Å; I84-I88 PolarHBondContact O-N 3.23Å; H85-I88 PolarHBondContact O-N 3.04Å; H85-I88 VanDerWaalsContact O-N 3.15Å; Q86-I88 PolarHBondContact O-N 3.31Å; I88-E90 VanDerWaalsContact C-N 3.27Å; I88-E90 PolarHBondContact O-N 3.27Å; I88-M91 HydrophobicContact CB-CE 4.37Å; I88-M91 HydrophobicContact CG1-CE 3.89Å; I88-M91 PolarHBondContact O-N 2.91Å; I88-E92 HydrophobicContact CG2-CG 4.37Å; I88-E92 WeakPolarHBondContact O-CB 3.48Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.59Å
89L95.3Very high91.8Very high63 Ų6359.9 Ų59.933%0.3330%0.299SS..Hα-helixtrans-58.8-41176.5-68.4-178000111.6H85 Q86 E92 R93H85-L89 WeakPolarHBondContact NE2-CD1 3.41Å; H85-L89 WeakPolarHBondContact O-CG 3.4Å; H85-L89 PolarHBondContact O-N 2.79Å; Q86-L89 PolarHBondContact O-N 2.88Å; L89-E92 PolarHBondContact O-N 2.81Å; L89-R93 VanDerWaalsContact O-CB 3.26Å; L89-R93 WeakPolarHBondContact O-CB 3.46Å; L89-R93 PolarHBondContact O-N 3.47Å
90E94.9Very high90.4Very high97 Ų9755.7 Ų55.745%0.45328%0.282SS..Hα-helixtrans-65-44.8176.7-177.1169.5-150.100112.4Q86 H87 I88 E92 R93 T94Q86-E90 PolarHBondContact O-N 3.19Å; H87-E90 PolarHBondContact O-N 2.83Å; I88-E90 VanDerWaalsContact C-N 3.27Å; I88-E90 PolarHBondContact O-N 3.27Å; E90-E92 VanDerWaalsContact C-N 3.33Å; E90-E92 PolarHBondContact O-N 3.17Å; E90-R93 PolarHBondContact O-N 3.02Å; E90-R93 IonicContact OE1-NH2 2.78Å; E90-T94 HydrophobicContact CG-CG2 4.38Å; E90-T94 WeakPolarHBondContact O-CB 3.28Å; E90-T94 WeakPolarHBondContact O-CG2 3.44Å; E90-T94 PolarHBondContact O-N 3.14Å; E90-T94 PolarHBondContact O-OG1 3.45Å
91M92.6Very high88.5Confident8 Ų861.9 Ų61.94%0.03931%0.309CS..Hα-helixtrans-61.5-41.9176-72-171.3-64.500111.9F17 I61 H87 I88 T94 G95 T96 I97 P98F17-M91 HydrophobicContact CD1-CE 3.58Å; F17-M91 HydrophobicContact CD1-SD 4.21Å; F17-M91 HydrophobicContact CE1-CE 3.43Å; F17-M91 VanDerWaalsContact CE1-CE 3.43Å; F17-M91 HydrophobicContact CE2-CE 4.44Å; F17-M91 HydrophobicContact CG-CE 4.14Å; F17-M91 HydrophobicContact CG-SD 4.39Å; F17-M91 HydrophobicContact CZ-CE 3.88Å; I61-M91 HydrophobicContact CD1-CE 4.12Å; H87-M91 WeakPolarHBondContact O-CG 3.47Å; H87-M91 PolarHBondContact O-N 3.32Å; I88-M91 HydrophobicContact CB-CE 4.37Å; I88-M91 HydrophobicContact CG1-CE 3.89Å; I88-M91 PolarHBondContact O-N 2.91Å; M91-T94 PolarHBondContact O-N 3.4Å; M91-T94 PolarHBondContact O-OG1 3.12Å; M91-G95 CarbonylContact O-C 3.59Å; M91-G95 WeakPolarHBondContact O-CA 3.46Å; M91-G95 PolarHBondContact O-N 3.41Å; M91-T96 PolarHBondContact O-N 3.28Å; M91-T96 VanDerWaalsContact O-N 3.11Å; M91-I97 HydrophobicContact CB-CG1 4.24Å; M91-P98 HydrophobicContact SD-CG 4.42Å
92E92.9Very high86.4Confident54 Ų5468.5 Ų68.525%0.25233%0.334SS..Hα-helixtrans-66.7-40.4177.4-73178.3158.100111.8R42 I61 A62 I88 L89 E90 I97R42-E92 IonicContact CZ-OE1 2.83Å; R42-E92 IonicContact CZ-OE2 3.68Å; R42-E92 IonicContact NH1-OE1 3.97Å; R42-E92 PolarHBondContact NH1-OE1 2.86Å; R42-E92 IonicContact NH1-OE2 3.86Å; R42-E92 VanDerWaalsContact NH2-CD 3.33Å; R42-E92 IonicContact NH2-OE1 3.43Å; R42-E92 PolarHBondContact NH2-OE1 2.84Å; R42-E92 IonicContact NH2-OE2 3.47Å; R42-E92 PolarHBondContact NH2-OE2 3.47Å; I61-E92 WeakPolarHBondContact CA-OE1 3.4Å; I61-E92 HydrophobicContact CG2-CG 4.02Å; A62-E92 PolarHBondContact N-OE1 3.35Å; I88-E92 HydrophobicContact CG2-CG 4.37Å; I88-E92 WeakPolarHBondContact O-CB 3.48Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.59Å; L89-E92 PolarHBondContact O-N 2.81Å; E90-E92 VanDerWaalsContact C-N 3.33Å; E90-E92 PolarHBondContact O-N 3.17Å; E92-I97 HydrophobicContact CG-CD1 4.12Å; E92-I97 HydrophobicContact CG-CG1 4.39Å
93R92.6Very high84.1Confident193 Ų19365 Ų6573%0.72832%0.324SS*.Hα-helixtrans-64.6-40.8176.6-176.3-173.567.3151.1-1.5112.5L89 E90L89-R93 VanDerWaalsContact O-CB 3.26Å; L89-R93 WeakPolarHBondContact O-CB 3.46Å; L89-R93 PolarHBondContact O-N 3.47Å; E90-R93 PolarHBondContact O-N 3.02Å; E90-R93 IonicContact OE1-NH2 2.78Å
94T92.8Very high81.9Confident74 Ų7467.2 Ų67.245%0.45434%0.344SS..Hα-helixtrans-91.1-13.5-175.457.30000113.5E90 M91 T96E90-T94 HydrophobicContact CG-CG2 4.38Å; E90-T94 WeakPolarHBondContact O-CB 3.28Å; E90-T94 WeakPolarHBondContact O-CG2 3.44Å; E90-T94 PolarHBondContact O-N 3.14Å; E90-T94 PolarHBondContact O-OG1 3.45Å; M91-T94 PolarHBondContact O-N 3.4Å; M91-T94 PolarHBondContact O-OG1 3.12Å; T94-T96 VanDerWaalsContact C-N 3.31Å; T94-T96 PolarHBondContact OG1-OG1 3.46Å; T94-T96 VanDerWaalsContact OG1-OG1 3.07Å
95G86.7Confident79.8Confident59 Ų5969.7 Ų69.761%0.60837%0.369SS*.THydrogen-bonded Turntrans7614.9-17600000114.2M91 I97M91-G95 CarbonylContact O-C 3.59Å; M91-G95 WeakPolarHBondContact O-CA 3.46Å; M91-G95 PolarHBondContact O-N 3.41Å; G95-I97 PolarHBondContact O-N 3.26Å
96T87.1Confident77.4Confident93 Ų9374.3 Ų74.357%0.57139%0.389SS*.  trans-8725.8-179.362.90000113.4M91 T94M91-T96 PolarHBondContact O-N 3.28Å; M91-T96 VanDerWaalsContact O-N 3.11Å; T94-T96 VanDerWaalsContact C-N 3.31Å; T94-T96 PolarHBondContact OG1-OG1 3.46Å; T94-T96 VanDerWaalsContact OG1-OG1 3.07Å
97I82.4Confident75Confident41 Ų4173 Ų7321%0.2139%0.386CS..PPolyproline II helixtrans-62.9133.4-178.7-60.1158.1000109.6Y23 I61 A62 M91 E92 G95 I99Y23-I97 WeakPolarHBondContact OH-CG2 3.23Å; I61-I97 HydrophobicContact CG2-CD1 4.29Å; I61-I97 HydrophobicContact CG2-CG1 4.03Å; I61-I97 HydrophobicContact CG2-CG2 3.73Å; A62-I97 HydrophobicContact CB-CD1 3.57Å; M91-I97 HydrophobicContact CB-CG1 4.24Å; E92-I97 HydrophobicContact CG-CD1 4.12Å; E92-I97 HydrophobicContact CG-CG1 4.39Å; G95-I97 PolarHBondContact O-N 3.26Å; I97-I99 PolarHBondContact O-N 2.99Å
98P77.6Confident72.7Confident31 Ų3178.6 Ų78.620%0.20141%0.409CS..PPolyproline II helixtrans-53.9135.6178.1-25.633.1000111.7F21 Y23 M91F21-P98 HydrophobicContact CD1-CB 3.91Å; F21-P98 HydrophobicContact CD1-CG 4.17Å; F21-P98 HydrophobicContact CE1-CB 3.65Å; F21-P98 HydrophobicContact CE1-CG 4.05Å; F21-P98 HydrophobicContact CE2-CG 4.5Å; F21-P98 HydrophobicContact CG-CG 4.47Å; F21-P98 HydrophobicContact CZ-CB 4.21Å; F21-P98 HydrophobicContact CZ-CG 4.22Å; Y23-P98 WeakPolarHBondContact CE2-O 3.43Å; Y23-P98 VanDerWaalsContact CZ-O 3.31Å; Y23-P98 PolarHBondContact OH-O 3.17Å; M91-P98 HydrophobicContact SD-CG 4.42Å
99I71.6Confident70.5Confident80 Ų8080.5 Ų80.541%0.4143%0.429SS..PPolyproline II helixtrans-80.9132.7-179.7-59.4168.8000108.9I97 F101 K106I97-I99 PolarHBondContact O-N 2.99Å; I99-F101 WeakPolarHBondContact O-CD2 3.45Å; I99-F101 PolarHBondContact O-N 3.41Å; I99-F101 VanDerWaalsContact O-N 3.09Å; I99-K106 HydrophobicContact CG2-CD 4.18Å
100D65.2Low68.4Low29 Ų2980.8 Ų80.816%0.15543%0.43CS..  trans-71.5101.5171.2-164-2.9000110.3Y23 R102 D103Y23-D100 VanDerWaalsContact CB-OD2 3.27Å; Y23-D100 WeakPolarHBondContact CB-OD2 3.28Å; Y23-D100 HydrophobicContact CD2-CB 3.25Å; Y23-D100 VanDerWaalsContact CD2-CG 3.44Å; Y23-D100 HydrophobicContact CE2-CB 3.61Å; Y23-D100 HydrophobicContact CG-CB 3.88Å; D100-R102 PolarHBondContact O-N 3.01Å; D100-R102 WeakPolarHBondContact OD1-CB 3.33Å; D100-R102 PolarHBondContact OD1-N 3Å; D100-R102 IonicContact OD1-NE 3.86Å; D100-D103 HydrophobicContact CB-CB 4.3Å; D100-D103 PolarHBondContact O-N 2.97Å
101F54.4Low66.1Low141 Ų14184.9 Ų84.962%0.61844%0.441SS*.THydrogen-bonded Turntrans-72.9-12.5175.5-64.9-74.9000113.1I99 D103I99-F101 WeakPolarHBondContact O-CD2 3.45Å; I99-F101 PolarHBondContact O-N 3.41Å; I99-F101 VanDerWaalsContact O-N 3.09Å; F101-D103 VanDerWaalsContact C-N 3.29Å
102R53.5Low64.2Low139 Ų13990.8 Ų90.853%0.52547%0.469SS..THydrogen-bonded Turntrans-84.1-3.6175-68.2174.1-70.8-177.90.8112.9Y23 D100 P104Y23-R102 PolarHBondContact O-NH2 3.23Å; D100-R102 PolarHBondContact O-N 3.01Å; D100-R102 WeakPolarHBondContact OD1-CB 3.33Å; D100-R102 PolarHBondContact OD1-N 3Å; D100-R102 IonicContact OD1-NE 3.86Å; R102-P104 WeakPolarHBondContact O-CD 2.87Å
103D49.1Very low62.2Low47 Ų4796.6 Ų96.625%0.25149%0.493SS..  trans-84.999.7169.6-174.2-12.1000109.5R64 D100 F101 G105 K106R64-D103 IonicContact NH1-OD2 2.74Å; R64-D103 IonicContact NH2-OD2 3.8Å; D100-D103 HydrophobicContact CB-CB 4.3Å; D100-D103 PolarHBondContact O-N 2.97Å; F101-D103 VanDerWaalsContact C-N 3.29Å; D103-G105 PolarHBondContact O-N 2.86Å; D103-G105 PolarHBondContact OD1-N 2.84Å; D103-K106 PolarHBondContact O-N 2.99Å
104P48.8Very low60.3Low103 Ų10393.3 Ų93.367%0.66949%0.489SS*.Hα-helixtrans-59.4-20.3-179.924.3-33.9000112.7R102 K106R102-P104 WeakPolarHBondContact O-CD 2.87Å; P104-K106 VanDerWaalsContact C-N 3.32Å; P104-K106 PolarHBondContact O-N 3.16Å
105G52.7Low58.4Low52 Ų5297.9 Ų97.954%0.53650%0.503SS..Hα-helixtrans-65.4-31.8176.200000113.4D103D103-G105 PolarHBondContact O-N 2.86Å; D103-G105 PolarHBondContact OD1-N 2.84Å
106K46.3Very low56.5Low99 Ų99108.2 Ų108.243%0.4352%0.523SS..Hα-helixtrans-87.9-25.8-178.5-73.7-163.9175.8-173.80114.2I99 D103 P104 K108 G109 I110I99-K106 HydrophobicContact CG2-CD 4.18Å; D103-K106 PolarHBondContact O-N 2.99Å; P104-K106 VanDerWaalsContact C-N 3.32Å; P104-K106 PolarHBondContact O-N 3.16Å; K106-K108 PolarHBondContact O-N 3.23Å; K106-G109 PolarHBondContact O-N 3.05Å; K106-I110 PolarHBondContact O-N 3.28Å
107L47.1Very low55Low85 Ų85109 Ų10945%0.44552%0.521SS..Hα-helixtrans-61.2-30.3173.1-78.3167.9000112.2R111L107-R111 PolarHBondContact O-N 3.2Å; L107-R111 VanDerWaalsContact O-N 3.16Å
108K48.4Very low53.5Low162 Ų162112.5 Ų112.570%0.70454%0.537SS*.Hα-helixtrans-60.8-44.8175-116-178.1177-1760112.2K106 I110 R111 E112K106-K108 PolarHBondContact O-N 3.23Å; K108-I110 PolarHBondContact O-N 2.75Å; K108-R111 PolarHBondContact O-N 3.34Å; K108-E112 PolarHBondContact O-N 3.42Å
109G49.1Very low52.2Low40 Ų40117.1 Ų117.141%0.41256%0.556SS.*Hα-helixtrans-70-31.2-177.600000114.4K106 K113K106-G109 PolarHBondContact O-N 3.05Å; G109-K113 PolarHBondContact O-N 2.94Å
110I50Low51.1Low69 Ų69119.2 Ų119.235%0.35456%0.564SS.*Hα-helixtrans-76.7-39.3176.3-64.6174.8000110.9K106 K108 E112 K113 I114K106-I110 PolarHBondContact O-N 3.28Å; K108-I110 PolarHBondContact O-N 2.75Å; I110-E112 VanDerWaalsContact C-N 3.29Å; I110-E112 PolarHBondContact O-N 3.43Å; I110-K113 PolarHBondContact O-N 3.15Å; I110-I114 HydrophobicContact CG2-CD1 3.78Å; I110-I114 HydrophobicContact CG2-CG1 4.31Å; I110-I114 PolarHBondContact O-N 3.16Å
111R46.5Very low50.2Low184 Ų184124.9 Ų124.969%0.69459%0.59SS**Hα-helixtrans-57.8-42.8173.3-82.4-173.7164.6-171.4-3.3111.3L107 K108 K113 I114 F115L107-R111 PolarHBondContact O-N 3.2Å; L107-R111 VanDerWaalsContact O-N 3.16Å; K108-R111 PolarHBondContact O-N 3.34Å; R111-K113 PolarHBondContact O-N 3.36Å; R111-I114 PolarHBondContact O-N 2.97Å; R111-F115 HydrophobicContact CB-CD2 4.48Å; R111-F115 VanDerWaalsContact O-CD2 3.22Å; R111-F115 WeakPolarHBondContact O-CD2 3.43Å; R111-F115 PolarHBondContact O-N 3.41Å; R111-F115 VanDerWaalsContact O-N 3.15Å
112E53.5Low49.9Very low131 Ų131123.8 Ų123.861%0.61259%0.588SS**Hα-helixtrans-63.8-25.7176.7-75.5-178.816900114.1K108 I110 R116K108-E112 PolarHBondContact O-N 3.42Å; I110-E112 VanDerWaalsContact C-N 3.29Å; I110-E112 PolarHBondContact O-N 3.43Å; E112-R116 WeakPolarHBondContact O-CG 3.27Å
113K49.7Very low49.6Very low177 Ų177122.7 Ų122.777%0.7759%0.593SS**Hα-helixtrans-84.6-28.4177.3-108.5-177.4178.8-175.70114.3G109 I110 R111G109-K113 PolarHBondContact O-N 2.94Å; I110-K113 PolarHBondContact O-N 3.15Å; R111-K113 PolarHBondContact O-N 3.36Å
114I53.6Low49.7Very low123 Ų123128.5 Ų128.563%0.63162%0.619SS**Hα-helixtrans-82.3-27.7178.1-65.9174.3000111.1I110 R111I110-I114 HydrophobicContact CG2-CD1 3.78Å; I110-I114 HydrophobicContact CG2-CG1 4.31Å; I110-I114 PolarHBondContact O-N 3.16Å; R111-I114 PolarHBondContact O-N 2.97Å
115F53.4Low49.8Very low171 Ų171130.7 Ų130.775%0.7562%0.615SS**  trans-9921.1179.5-67.1-73.3000114R111R111-F115 HydrophobicContact CB-CD2 4.48Å; R111-F115 VanDerWaalsContact O-CD2 3.22Å; R111-F115 WeakPolarHBondContact O-CD2 3.43Å; R111-F115 PolarHBondContact O-N 3.41Å; R111-F115 VanDerWaalsContact O-N 3.15Å
116R46.8Very low49.5Very low275 Ų275137.8 Ų137.8100%1.03862%0.622SS**  trans-118.40164.9-78.2-170.5-175.5-154.73.9109.4E112E112-R116 WeakPolarHBondContact O-CG 3.27Å

Retrieved 116 of 116 residues in 158.9 ms (Link to these results)

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