A0A077ZLZ3_TRITR Loading...

PH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLZ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 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
1M79.8Confident84.1Confident81 Ų8167.8 Ų67.840%0.39937%0.366SS..  0-48.90-159.166.577.400112.2E3 L4 Q5 L15 I16 R20 F46M1-E3 PolarHBondContact O-N 3.41Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-Q5 PolarHBondContact O-N 3.1Å; M1-L15 HydrophobicContact CG-CG 4.36Å; M1-L15 HydrophobicContact SD-CD1 4.11Å; M1-L15 HydrophobicContact SD-CD2 4.42Å; M1-L15 HydrophobicContact SD-CG 3.87Å; M1-I16 HydrophobicContact CG-CG1 3.91Å; M1-R20 HydrophobicContact CE-CB 4.27Å; M1-R20 HydrophobicContact CE-CG 3.9Å; M1-F46 HydrophobicContact CE-CD1 3.89Å; M1-F46 HydrophobicContact CE-CE1 3.42Å; M1-F46 VanDerWaalsContact CE-CE1 3.42Å; M1-F46 HydrophobicContact CE-CZ 4.31Å; M1-F46 HydrophobicContact SD-CE1 3.67Å; M1-F46 HydrophobicContact SD-CZ 4.01Å
2V80.4Confident84.6Confident88 Ų8863.4 Ų63.453%0.53334%0.343SS..Hα-helixtrans-53.5-51.1179.1-179.90000112.4L4 Q5 E6 I16V2-L4 VanDerWaalsContact C-N 3.25Å; V2-L4 PolarHBondContact O-N 3.27Å; V2-Q5 WeakPolarHBondContact O-CA 3.31Å; V2-Q5 VanDerWaalsContact O-CB 3.3Å; V2-Q5 WeakPolarHBondContact O-CB 3.25Å; V2-Q5 PolarHBondContact O-N 3.27Å; V2-E6 PolarHBondContact O-N 3.49Å; V2-I16 HydrophobicContact CG2-CD1 4.1Å
3E83.8Confident84.5Confident131 Ų13166.8 Ų66.861%0.61237%0.37SS*.Hα-helixtrans-56.9-36.9175.8-174.9-170.1172.800112.9M1 E6 H7M1-E3 PolarHBondContact O-N 3.41Å; E3-E6 PolarHBondContact O-N 2.85Å; E3-H7 PolarHBondContact O-N 2.73Å; E3-H7 PolarHBondContact O-ND1 3.37Å; E3-H7 IonicContact OE1-CE1 3.39Å; E3-H7 PolarHBondContact OE1-CE1 3.49Å
4L84.6Confident84.5Confident18 Ų1870.8 Ų70.89%0.09439%0.39CS..Hα-helixtrans-71.3-34176.8-178.860.2000111.7M1 V2 E6 H7 L8 L15 F44 F46 Y63M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.19Å; V2-L4 VanDerWaalsContact C-N 3.25Å; V2-L4 PolarHBondContact O-N 3.27Å; L4-E6 VanDerWaalsContact C-N 3.33Å; L4-H7 PolarHBondContact O-N 2.79Å; L4-L8 HydrophobicContact CD1-CD1 3.9Å; L4-L8 HydrophobicContact CD1-CG 4.08Å; L4-L8 HydrophobicContact CD2-CD1 4.35Å; L4-L8 HydrophobicContact CG-CD1 3.82Å; L4-L8 HydrophobicContact CG-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 PolarHBondContact O-N 3.45Å; L4-L15 HydrophobicContact CB-CD2 4.43Å; L4-L15 HydrophobicContact CD2-CD2 4.34Å; L4-L15 HydrophobicContact CG-CD2 4.04Å; L4-F44 HydrophobicContact CD1-CD1 4.03Å; L4-F44 HydrophobicContact CD1-CD2 4.44Å; L4-F44 HydrophobicContact CD1-CE1 3.43Å; L4-F44 VanDerWaalsContact CD1-CE1 3.43Å; L4-F44 HydrophobicContact CD1-CE2 3.93Å; L4-F44 HydrophobicContact CD1-CG 4.49Å; L4-F44 HydrophobicContact CD1-CZ 3.39Å; L4-F44 HydrophobicContact CD2-CD1 3.63Å; L4-F44 HydrophobicContact CD2-CE1 3.87Å; L4-F44 HydrophobicContact CD2-CG 4.07Å; L4-F44 HydrophobicContact CG-CD1 4.49Å; L4-F44 HydrophobicContact CG-CE1 4.29Å; L4-F46 HydrophobicContact CD2-CE2 4.48Å; L4-F46 HydrophobicContact CD2-CZ 3.63Å; L4-Y63 HydrophobicContact CD1-CD2 4.18Å; L4-Y63 HydrophobicContact CD1-CE2 4.3Å
5Q84.8Confident84.7Confident72 Ų7266.1 Ų66.134%0.33637%0.365SS..Hα-helixtrans-63-41.3172.8-168.7-178.941.600110.9M1 V2 H7 L8 G9 L15 I16M1-Q5 PolarHBondContact O-N 3.1Å; V2-Q5 WeakPolarHBondContact O-CA 3.31Å; V2-Q5 VanDerWaalsContact O-CB 3.3Å; V2-Q5 WeakPolarHBondContact O-CB 3.25Å; V2-Q5 PolarHBondContact O-N 3.27Å; Q5-H7 PolarHBondContact O-N 3.28Å; Q5-L8 PolarHBondContact O-N 2.62Å; Q5-G9 WeakPolarHBondContact O-CA 3.35Å; Q5-G9 PolarHBondContact O-N 3.37Å; Q5-L15 HydrophobicContact CB-CD2 4.04Å; Q5-I16 HydrophobicContact CB-CD1 4.42Å
6E83.8Confident84.9Confident110 Ų11067.2 Ų67.251%0.51437%0.368SS..Hα-helixtrans-63.6-40.8174.2-66.1174.5170.400111.9V2 E3 L4 G9V2-E6 PolarHBondContact O-N 3.49Å; E3-E6 PolarHBondContact O-N 2.85Å; L4-E6 VanDerWaalsContact C-N 3.33Å; E6-G9 PolarHBondContact O-N 3.5Å
7H87Confident85.2Confident40 Ų4065.2 Ų65.219%0.18536%0.361CS..Hα-helixtrans-74-24.5177.9-69.5131.5000114.4E3 L4 Q5 N61 K62 Y63E3-H7 PolarHBondContact O-N 2.73Å; E3-H7 PolarHBondContact O-ND1 3.37Å; E3-H7 IonicContact OE1-CE1 3.39Å; E3-H7 PolarHBondContact OE1-CE1 3.49Å; L4-H7 PolarHBondContact O-N 2.79Å; Q5-H7 PolarHBondContact O-N 3.28Å; H7-N61 CarbonylContact O-C 3.6Å; H7-N61 WeakPolarHBondContact O-CA 3.39Å; H7-K62 HydrophobicContact CB-CB 4.26Å; H7-K62 PolarHBondContact O-N 3.43Å; H7-K62 VanDerWaalsContact O-N 3.1Å; H7-Y63 HydrophobicContact CB-CD2 3.73Å; H7-Y63 HydrophobicContact CB-CE2 4.04Å; H7-Y63 PolarHBondContact O-N 3.03Å
8L85.1Confident85.4Confident0 Ų069.5 Ų69.50%039%0.392CS..Hα-helixtrans-92.7-16.6173.7-77.6168.6000112.8L4 Q5 Q11 V12 L15 L51L4-L8 HydrophobicContact CD1-CD1 3.9Å; L4-L8 HydrophobicContact CD1-CG 4.08Å; L4-L8 HydrophobicContact CD2-CD1 4.35Å; L4-L8 HydrophobicContact CG-CD1 3.82Å; L4-L8 HydrophobicContact CG-CG 4.42Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 PolarHBondContact O-N 3.45Å; Q5-L8 PolarHBondContact O-N 2.62Å; L8-Q11 WeakPolarHBondContact O-CB 3.3Å; L8-Q11 WeakPolarHBondContact O-CG 3.45Å; L8-Q11 PolarHBondContact O-NE2 3.1Å; L8-V12 HydrophobicContact CD1-CG2 4.32Å; L8-L15 HydrophobicContact CD1-CD1 4.48Å; L8-L15 HydrophobicContact CD1-CD2 3.75Å; L8-L51 HydrophobicContact CD1-CD1 3.79Å
9G81.6Confident85.7Confident20 Ų2070.3 Ų70.321%0.20640%0.403CS..G310 helixtrans58.3-148-169.200000112Q5 E6 Q11 N61Q5-G9 WeakPolarHBondContact O-CA 3.35Å; Q5-G9 PolarHBondContact O-N 3.37Å; E6-G9 PolarHBondContact O-N 3.5Å; G9-Q11 PolarHBondContact O-N 2.99Å; G9-N61 VanDerWaalsContact CA-OD1 3.31Å; G9-N61 WeakPolarHBondContact CA-OD1 3.35Å; G9-N61 PolarHBondContact N-OD1 3.09Å
10S84Confident86.1Confident117 Ų11768.1 Ų68.182%0.81839%0.387SS*.G310 helixtrans-79.312.1-179.955.60000114.9V12S10-V12 PolarHBondContact O-N 2.86Å
11Q90.4Very high86.5Confident69 Ų6970.8 Ų70.832%0.32240%0.397SS..G310 helixtrans-68.9-19.7-175.5-68.9175.88700113.8L8 G9 Y63 L65L8-Q11 WeakPolarHBondContact O-CB 3.3Å; L8-Q11 WeakPolarHBondContact O-CG 3.45Å; L8-Q11 PolarHBondContact O-NE2 3.1Å; G9-Q11 PolarHBondContact O-N 2.99Å; Q11-Y63 PolarHBondContact NE2-O 2.98Å; Q11-L65 HydrophobicContact CB-CB 4.17Å
12V90Very high87.3Confident15 Ų1570.6 Ų70.69%0.09140%0.397CS..SBendtrans-128.292.8177.2-174.60000108.3L8 S10 D14 L15 L51 L65L8-V12 HydrophobicContact CD1-CG2 4.32Å; S10-V12 PolarHBondContact O-N 2.86Å; V12-D14 PolarHBondContact O-N 3.31Å; V12-D14 VanDerWaalsContact O-N 3.1Å; V12-L15 HydrophobicContact CB-CB 4.07Å; V12-L15 HydrophobicContact CG1-CB 3.87Å; V12-L15 HydrophobicContact CG1-CD1 4.12Å; V12-L15 PolarHBondContact O-N 3.03Å; V12-L51 HydrophobicContact CG2-CD1 4.04Å; V12-L51 HydrophobicContact CG2-CD2 4.26Å; V12-L65 HydrophobicContact CG2-CD2 3.94Å
13P82.9Confident88.1Confident107 Ų10769.3 Ų69.370%0.69539%0.386SS*.THydrogen-bonded Turntrans-54.2-32.7-170.8-30.436.5000114.9
14D84.4Confident88.8Confident123 Ų12365 Ų6566%0.65837%0.366SS*.THydrogen-bonded Turntrans-118.432.8-174.4-54.9-55.4000112.5V12 I16 R20V12-D14 PolarHBondContact O-N 3.31Å; V12-D14 VanDerWaalsContact O-N 3.1Å; D14-I16 PolarHBondContact O-N 3.04Å; D14-R20 PolarHBondContact O-NH1 3.4Å
15L88.7Confident89.4Confident1 Ų169 Ų691%0.00538%0.384CS..  trans-60.7-33-176.2-175.465.6000113.2M1 L4 Q5 L8 V12 S17 R20 F46 L51M1-L15 HydrophobicContact CG-CG 4.36Å; M1-L15 HydrophobicContact SD-CD1 4.11Å; M1-L15 HydrophobicContact SD-CD2 4.42Å; M1-L15 HydrophobicContact SD-CG 3.87Å; L4-L15 HydrophobicContact CB-CD2 4.43Å; L4-L15 HydrophobicContact CD2-CD2 4.34Å; L4-L15 HydrophobicContact CG-CD2 4.04Å; Q5-L15 HydrophobicContact CB-CD2 4.04Å; L8-L15 HydrophobicContact CD1-CD1 4.48Å; L8-L15 HydrophobicContact CD1-CD2 3.75Å; V12-L15 HydrophobicContact CB-CB 4.07Å; V12-L15 HydrophobicContact CG1-CB 3.87Å; V12-L15 HydrophobicContact CG1-CD1 4.12Å; V12-L15 PolarHBondContact O-N 3.03Å; L15-S17 PolarHBondContact O-N 2.96Å; L15-R20 PolarHBondContact O-NH1 3.39Å; L15-F46 HydrophobicContact CD1-CE2 4.08Å; L15-F46 HydrophobicContact CD1-CZ 4Å; L15-L51 HydrophobicContact CD1-CD1 3.98Å
16I86.9Confident90Very high83 Ų8366.4 Ų66.443%0.42638%0.376SS..  trans-89.7108.4176.2-58.1-175.3000108.5M1 V2 Q5 D14M1-I16 HydrophobicContact CG-CG1 3.91Å; V2-I16 HydrophobicContact CG2-CD1 4.1Å; Q5-I16 HydrophobicContact CB-CD1 4.42Å; D14-I16 PolarHBondContact O-N 3.04Å
17S89.8Confident90.7Very high34 Ų3467.5 Ų67.524%0.23838%0.376CS..  trans-132.7137.4168.8172.90000108.6L15 S19 R20L15-S17 PolarHBondContact O-N 2.96Å; S17-S19 PolarHBondContact O-N 2.97Å; S17-S19 PolarHBondContact OG-N 2.97Å; S17-S19 PolarHBondContact OG-OG 3.22Å; S17-R20 PolarHBondContact O-N 3.05Å
18P88.7Confident91.3Very high142 Ų14265.8 Ų65.892%0.92237%0.368SS*.THydrogen-bonded Turntrans-57.2-28.5176.4-24.934000113.8
19S91.2Very high91.9Very high85 Ų8567.4 Ų67.459%0.59438%0.376SS*.THydrogen-bonded Turntrans-90.2-0.5179.967.90000113.8S17 N47S17-S19 PolarHBondContact O-N 2.97Å; S17-S19 PolarHBondContact OG-N 2.97Å; S17-S19 PolarHBondContact OG-OG 3.22Å; S19-N47 PolarHBondContact O-ND2 2.85Å
20R94.7Very high92.7Very high26 Ų2668.5 Ų68.510%0.09838%0.375CS..  trans-92.8120.2-176.6-175.2172.1-63.8107.12.2111.4M1 D14 L15 S17 F46 N47 D48M1-R20 HydrophobicContact CE-CB 4.27Å; M1-R20 HydrophobicContact CE-CG 3.9Å; D14-R20 PolarHBondContact O-NH1 3.4Å; L15-R20 PolarHBondContact O-NH1 3.39Å; S17-R20 PolarHBondContact O-N 3.05Å; R20-F46 HydrophobicContact CG-CB 3.79Å; R20-F46 HydrophobicContact CG-CD1 3.55Å; R20-F46 HydrophobicContact CG-CE1 4.37Å; R20-F46 HydrophobicContact CG-CG 3.81Å; R20-N47 WeakPolarHBondContact CA-OD1 3.22Å; R20-D48 IonicContact CZ-OD1 3.85Å; R20-D48 IonicContact CZ-OD2 3.32Å; R20-D48 IonicContact NE-OD1 2.89Å; R20-D48 PolarHBondContact NE-OD1 3.43Å; R20-D48 IonicContact NE-OD2 3.13Å; R20-D48 PolarHBondContact NE-OD2 2.97Å; R20-D48 VanDerWaalsContact NE-OD2 3.13Å; R20-D48 IonicContact NH2-OD1 3.98Å; R20-D48 IonicContact NH2-OD2 2.74Å; R20-D48 PolarHBondContact NH2-OD2 2.74Å
21E95Very high93.3Very high125 Ų12563.5 Ų63.558%0.58434%0.339SS*.  trans-114.3132.6179.6-64.8-179.2177.200110.3I23 F46 N47E21-I23 PolarHBondContact O-N 2.73Å; E21-F46 CarbonylContact O-C 3.43Å; E21-F46 WeakPolarHBondContact O-CA 3.38Å; E21-F46 WeakPolarHBondContact O-CB 3.5Å; E21-N47 PolarHBondContact N-OD1 3.07Å; E21-N47 VanDerWaalsContact N-OD1 3.13Å; E21-N47 PolarHBondContact O-N 3.13Å
22L95.8Very high93.4Very high77 Ų7761.5 Ų61.540%0.40333%0.333SS..EExtended strand (participates in β ladder)trans-79113172-179.168.8000108.7Q25 F44 F46L22-Q25 HydrophobicContact CD1-CB 4.49Å; L22-Q25 HydrophobicContact CD2-CG 4.3Å; L22-F44 HydrophobicContact CD1-CB 4.13Å; L22-F44 HydrophobicContact CD1-CD1 4.29Å; L22-F46 HydrophobicContact CB-CD1 3.99Å; L22-F46 HydrophobicContact CB-CE1 3.82Å; L22-F46 HydrophobicContact CD1-CD1 3.97Å; L22-F46 HydrophobicContact CD1-CE1 3.59Å; L22-F46 HydrophobicContact CD1-CE2 4.46Å; L22-F46 HydrophobicContact CD1-CZ 3.88Å; L22-F46 HydrophobicContact CG-CE1 4.28Å
23I96.8Very high93.2Very high60 Ų6066 Ų6631%0.30837%0.365SS..EExtended strand (participates in β ladder)trans-84.8-48.4-179.3-64.9175.4000110.7E21 L45 N47 A117E21-I23 PolarHBondContact O-N 2.73Å; I23-L45 HydrophobicContact CB-CD2 4.42Å; I23-L45 HydrophobicContact CB-CG 4.28Å; I23-L45 HydrophobicContact CG2-CD2 4.22Å; I23-L45 PolarHBondContact N-O 2.79Å; I23-N47 HydrophobicContact CD1-CB 3.94Å; I23-N47 HydrophobicContact CG1-CB 4.5Å; I23-A117 HydrophobicContact CD1-CB 3.61Å
24K98.1Very high93.5Very high41 Ų4170.1 Ų70.118%0.17837%0.372CS..EExtended strand (participates in β ladder)trans-152146.2-179.4-170173176.182.90110.6L45 E109 W110 S113K24-L45 HydrophobicContact CB-CB 4.48Å; K24-L45 PolarHBondContact N-O 3.25Å; K24-L45 PolarHBondContact O-N 2.96Å; K24-E109 IonicContact NZ-OE2 3.27Å; K24-E109 PolarHBondContact NZ-OE2 3.37Å; K24-W110 HydrophobicContact CB-CH2 4.41Å; K24-W110 HydrophobicContact CB-CZ3 4.15Å; K24-W110 HydrophobicContact CD-CD2 3.82Å; K24-W110 HydrophobicContact CD-CE3 3.8Å; K24-W110 HydrophobicContact CD-CG 4.37Å; K24-W110 HydrophobicContact CD-CH2 4.31Å; K24-W110 HydrophobicContact CD-CZ2 4.34Å; K24-W110 HydrophobicContact CD-CZ3 4.04Å; K24-W110 HydrophobicContact CG-CE3 4.29Å; K24-W110 HydrophobicContact CG-CH2 3.98Å; K24-W110 HydrophobicContact CG-CZ2 4.23Å; K24-W110 HydrophobicContact CG-CZ3 4Å; K24-S113 WeakPolarHBondContact CD-OG 3.35Å
25Q98.1Very high93.8Very high103 Ų10366.4 Ų66.448%0.48136%0.355SS..EExtended strand (participates in β ladder)trans-135.6155.7166.460.6173.1-2300110.1L22 L43 F44L22-Q25 HydrophobicContact CD1-CB 4.49Å; L22-Q25 HydrophobicContact CD2-CG 4.3Å; Q25-L43 WeakPolarHBondContact CA-O 3.11Å; Q25-L43 WeakPolarHBondContact CB-O 3.45Å; Q25-F44 HydrophobicContact CB-CD1 3.92Å; Q25-F44 HydrophobicContact CB-CE1 4.3Å
26G98.1Very high93.7Very high17 Ų1774.5 Ų74.518%0.17540%0.399CS..EExtended strand (participates in β ladder)trans167.7179.8178.100000112.9H42 L43G26-H42 WeakPolarHBondContact O-CA 3.45Å; G26-L43 PolarHBondContact N-O 2.82Å; G26-L43 PolarHBondContact O-N 3.17Å
27R98.2Very high94Very high133 Ų13375.8 Ų75.850%0.50240%0.403SS..EExtended strand (participates in β ladder)trans-103.5131.9-177.4-67.7176.4176.3137.5-6.9110.4R41 E55R27-R41 VanDerWaalsContact CA-O 3.29Å; R27-R41 WeakPolarHBondContact CA-O 3.49Å; R27-E55 IonicContact CZ-OE1 3.06Å; R27-E55 IonicContact CZ-OE2 3.42Å; R27-E55 IonicContact NE-OE1 2.89Å; R27-E55 PolarHBondContact NE-OE1 3.18Å; R27-E55 IonicContact NE-OE2 2.69Å; R27-E55 IonicContact NH2-OE1 3.11Å; R27-E55 PolarHBondContact NH2-OE1 2.83Å; R27-E55 IonicContact NH2-OE2 3.44Å; R27-E55 PolarHBondContact NH2-OE2 2.77Å
28L98.6Very high94.3Very high4 Ų479.9 Ų79.92%0.02142%0.42CS..EExtended strand (participates in β ladder)trans-129.1162.2170.1-68.9178.8000110.1R41 L43 F88 F99 A101 E106 W110L28-R41 PolarHBondContact N-O 2.86Å; L28-R41 PolarHBondContact O-N 2.91Å; L28-L43 HydrophobicContact CB-CD1 4.34Å; L28-L43 HydrophobicContact CD1-CD2 3.83Å; L28-F88 HydrophobicContact CD1-CE1 3.98Å; L28-F88 HydrophobicContact CD1-CZ 3.65Å; L28-F99 HydrophobicContact CB-CB 4.32Å; L28-F99 HydrophobicContact CB-CD1 4.13Å; L28-F99 HydrophobicContact CD1-CB 3.84Å; L28-F99 HydrophobicContact CD1-CD1 4.36Å; L28-F99 HydrophobicContact CD1-CG 4.05Å; L28-A101 HydrophobicContact CD2-CB 3.74Å; L28-E106 HydrophobicContact CD2-CG 4.5Å; L28-W110 HydrophobicContact CD1-CD2 4.15Å; L28-W110 HydrophobicContact CD1-CG 4.1Å
29I98.2Very high94.7Very high33 Ų3375.5 Ų75.517%0.16939%0.387CS..EExtended strand (participates in β ladder)trans-85.6130.4164.4-61.3-53.2000108.1L31 M38 H40 F99 C100I29-L31 HydrophobicContact CG2-CD2 4.01Å; I29-M38 HydrophobicContact CG2-CB 3.66Å; I29-M38 HydrophobicContact CG2-CG 4.06Å; I29-M38 HydrophobicContact CG2-SD 4.2Å; I29-H40 WeakPolarHBondContact CD1-CE1 3.48Å; I29-H40 VanDerWaalsContact CD1-ND1 3.25Å; I29-H40 WeakPolarHBondContact CD1-ND1 3.45Å; I29-F99 CarbonylContact O-C 3.49Å; I29-F99 WeakPolarHBondContact O-CA 3.33Å; I29-C100 HydrophobicContact CB-CB 4.29Å; I29-C100 PolarHBondContact N-O 3.13Å; I29-C100 VanDerWaalsContact N-O 3.08Å; I29-C100 PolarHBondContact O-N 2.89Å
30K97.8Very high95Very high44 Ų4478.3 Ų78.319%0.19139%0.391CS..EExtended strand (participates in β ladder)trans-96.7126.3167.7178.1-95.7176.5-159.30108.5H39 R41 I97 E98 F99K30-H39 PolarHBondContact N-O 2.75Å; K30-H39 PolarHBondContact O-N 3.05Å; K30-R41 HydrophobicContact CB-CG 3.66Å; K30-I97 HydrophobicContact CG-CG2 3.62Å; K30-E98 WeakPolarHBondContact CA-O 3.35Å; K30-F99 HydrophobicContact CB-CD1 4.06Å; K30-F99 HydrophobicContact CB-CE1 4.04Å; K30-F99 HydrophobicContact CG-CE1 4.28Å
31L96.1Very high95.2Very high12 Ų1278.1 Ų78.16%0.06339%0.39CS..EExtended strand (participates in β ladder)trans-85142.1175.6-53.7175.3000109.8I29 M38 I84 E98 C100I29-L31 HydrophobicContact CG2-CD2 4.01Å; L31-M38 HydrophobicContact CD2-CE 4Å; L31-M38 HydrophobicContact CD2-CG 3.81Å; L31-M38 HydrophobicContact CD2-SD 4.23Å; L31-I84 HydrophobicContact CD1-CD1 3.68Å; L31-I84 HydrophobicContact CD1-CG2 4.03Å; L31-I84 HydrophobicContact CD2-CD1 4.46Å; L31-E98 HydrophobicContact CB-CB 4.21Å; L31-E98 HydrophobicContact CB-CG 4.43Å; L31-E98 HydrophobicContact CD1-CG 3.91Å; L31-E98 HydrophobicContact CG-CG 4.47Å; L31-E98 PolarHBondContact N-O 3.31Å; L31-C100 HydrophobicContact CD1-CB 4.45Å; L31-C100 HydrophobicContact CD2-CB 4.49Å
32S92.5Very high95.3Very high26 Ų2673 Ų7318%0.18237%0.366CS..PPolyproline II helixtrans-82.4134.2174.9-179.90000110.4K34 S35 E37S32-K34 PolarHBondContact O-N 3.17Å; S32-K34 PolarHBondContact OG-N 3.41Å; S32-S35 VanDerWaalsContact CB-O 3.26Å; S32-S35 WeakPolarHBondContact CB-O 3.46Å; S32-S35 VanDerWaalsContact CB-OG 3.25Å; S32-S35 WeakPolarHBondContact CB-OG 3.25Å; S32-S35 VanDerWaalsContact O-O 3.05Å; S32-S35 PolarHBondContact OG-N 3.18Å; S32-S35 PolarHBondContact OG-OG 3.22Å; S32-E37 VanDerWaalsContact CB-O 3.3Å; S32-E37 WeakPolarHBondContact CB-O 3.49Å; S32-E37 PolarHBondContact N-O 3.45Å
33S87.4Confident95.5Very high111 Ų11169.4 Ų69.478%0.77635%0.347SS*.SBendtrans-83.82.7175.467.20000112.7
34K88.9Confident95.5Very high193 Ų19366.7 Ų66.784%0.83933%0.333SS*.SBendtrans-128.4-7.8-173.3-61.9-172.5177.8-171.80113.4S32S32-K34 PolarHBondContact O-N 3.17Å; S32-K34 PolarHBondContact OG-N 3.41Å
35S89.9Confident95.5Very high44 Ų4464.8 Ų64.831%0.30833%0.325SS..SBendtrans-160.5165.1-173.553.20000108.4S32 E37S32-S35 VanDerWaalsContact CB-O 3.26Å; S32-S35 WeakPolarHBondContact CB-O 3.46Å; S32-S35 VanDerWaalsContact CB-OG 3.25Å; S32-S35 WeakPolarHBondContact CB-OG 3.25Å; S32-S35 VanDerWaalsContact O-O 3.05Å; S32-S35 PolarHBondContact OG-N 3.18Å; S32-S35 PolarHBondContact OG-OG 3.22Å; S35-E37 PolarHBondContact O-N 2.88Å; S35-E37 VanDerWaalsContact O-N 3.08Å; S35-E37 WeakPolarHBondContact OG-CG 3.25Å; S35-E37 PolarHBondContact OG-OE2 2.79Å
36D87.8Confident95.5Very high171 Ų17159.9 Ų59.991%0.91430%0.302SS*.SBendtrans-79.717.7174.7-53.9-33.4000112.2M38D36-M38 PolarHBondContact O-N 2.9Å
37E93.5Very high95.4Very high111 Ų11160.7 Ų60.752%0.51930%0.302SS..  trans-75.3125.7-178.3-68.1-176.2148.200111.5S32 S35 H39S32-E37 VanDerWaalsContact CB-O 3.3Å; S32-E37 WeakPolarHBondContact CB-O 3.49Å; S32-E37 PolarHBondContact N-O 3.45Å; S35-E37 PolarHBondContact O-N 2.88Å; S35-E37 VanDerWaalsContact O-N 3.08Å; S35-E37 WeakPolarHBondContact OG-CG 3.25Å; S35-E37 PolarHBondContact OG-OE2 2.79Å; E37-H39 IonicContact OE2-CE1 3.98Å; E37-H39 PolarHBondContact OE2-CE1 2.9Å; E37-H39 IonicContact OE2-NE2 2.92Å
38M94.9Very high95.3Very high119 Ų11956.3 Ų56.359%0.58629%0.288SS*.EExtended strand (participates in β ladder)trans-96.8135.1169.2-63.9-167.7-178.800109.8I29 L31 D36I29-M38 HydrophobicContact CG2-CB 3.66Å; I29-M38 HydrophobicContact CG2-CG 4.06Å; I29-M38 HydrophobicContact CG2-SD 4.2Å; L31-M38 HydrophobicContact CD2-CE 4Å; L31-M38 HydrophobicContact CD2-CG 3.81Å; L31-M38 HydrophobicContact CD2-SD 4.23Å; D36-M38 PolarHBondContact O-N 2.9Å
39H97.5Very high95.2Very high51 Ų5157.2 Ų57.224%0.23629%0.293CS..EExtended strand (participates in β ladder)trans-130.5127.6178.4-46.3-80.3000113.3K30 E37 R41K30-H39 PolarHBondContact N-O 2.75Å; K30-H39 PolarHBondContact O-N 3.05Å; E37-H39 IonicContact OE2-CE1 3.98Å; E37-H39 PolarHBondContact OE2-CE1 2.9Å; E37-H39 IonicContact OE2-NE2 2.92Å; H39-R41 VanDerWaalsContact CB-CZ 3.44Å; H39-R41 VanDerWaalsContact CB-NH1 3.27Å; H39-R41 VanDerWaalsContact CB-NH2 3.31Å; H39-R41 PolarHBondContact O-N 3.22Å
40H97.6Very high95.2Very high144 Ų14455.7 Ų55.767%0.66729%0.285SS*.EExtended strand (participates in β ladder)trans-61.8128.1170.8-65.3-81.5000111.3I29I29-H40 WeakPolarHBondContact CD1-CE1 3.48Å; I29-H40 VanDerWaalsContact CD1-ND1 3.25Å; I29-H40 WeakPolarHBondContact CD1-ND1 3.45Å
41R98.2Very high95.2Very high22 Ų2253.6 Ų53.68%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-130.2140.8174.4-64.3-64.6177.3-96.8-5.1110.7R27 L28 K30 H39 L43 V52 C53R27-R41 VanDerWaalsContact CA-O 3.29Å; R27-R41 WeakPolarHBondContact CA-O 3.49Å; L28-R41 PolarHBondContact N-O 2.86Å; L28-R41 PolarHBondContact O-N 2.91Å; K30-R41 HydrophobicContact CB-CG 3.66Å; H39-R41 VanDerWaalsContact CB-CZ 3.44Å; H39-R41 VanDerWaalsContact CB-NH1 3.27Å; H39-R41 VanDerWaalsContact CB-NH2 3.31Å; H39-R41 PolarHBondContact O-N 3.22Å; R41-L43 HydrophobicContact CB-CD1 3.71Å; R41-V52 HydrophobicContact CB-CG1 3.86Å; R41-V52 HydrophobicContact CG-CG1 3.78Å; R41-C53 CarbonylContact C-O 3.54Å; R41-C53 WeakPolarHBondContact CA-O 3.14Å; R41-C53 VanDerWaalsContact CD-O 3.23Å; R41-C53 WeakPolarHBondContact CD-O 3.45Å
42H98.1Very high95.3Very high17 Ų1753.1 Ų53.18%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-95.4127.2165.9-150102.3000108.1G26 F44 C53 E55 Y63G26-H42 WeakPolarHBondContact O-CA 3.45Å; H42-F44 HydrophobicContact CB-CE2 4.44Å; H42-F44 AromaticContact CD2-CE1 3.99Å; H42-F44 AromaticContact CD2-CE2 3.63Å; H42-F44 AromaticContact CD2-CZ 3.45Å; H42-F44 VanDerWaalsContact CD2-CZ 3.45Å; H42-F44 WeakPolarHBondContact CD2-CZ 3.23Å; H42-C53 PolarHBondContact N-O 3.41Å; H42-C53 WeakPolarHBondContact O-CB 3.47Å; H42-C53 PolarHBondContact O-N 2.8Å; H42-E55 HydrophobicContact CB-CG 4.18Å; H42-E55 IonicContact CE1-OE1 3.61Å; H42-E55 IonicContact CG-OE1 3.56Å; H42-E55 IonicContact ND1-OE1 3.75Å; H42-E55 PolarHBondContact ND1-OE1 2.8Å; H42-Y63 HydrophobicContact CB-CD1 4Å; H42-Y63 HydrophobicContact CB-CE1 3.53Å; H42-Y63 AromaticContact CG-CE1 3.55Å; H42-Y63 AromaticContact ND1-CE1 3.89Å
43L98.6Very high95.6Very high2 Ų251.9 Ų51.91%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-108.2142.1-179.2-80.865.8000109.6Q25 G26 L28 R41 L50 L51 V52 F99 W110Q25-L43 WeakPolarHBondContact CA-O 3.11Å; Q25-L43 WeakPolarHBondContact CB-O 3.45Å; G26-L43 PolarHBondContact N-O 2.82Å; G26-L43 PolarHBondContact O-N 3.17Å; L28-L43 HydrophobicContact CB-CD1 4.34Å; L28-L43 HydrophobicContact CD1-CD2 3.83Å; R41-L43 HydrophobicContact CB-CD1 3.71Å; L43-L50 HydrophobicContact CB-CD1 4.18Å; L43-L50 HydrophobicContact CD2-CD1 4.16Å; L43-L50 HydrophobicContact CD2-CD2 4.4Å; L43-L50 HydrophobicContact CG-CD1 4.32Å; L43-L51 VanDerWaalsContact CA-O 3.26Å; L43-L51 WeakPolarHBondContact CA-O 3.26Å; L43-V52 HydrophobicContact CD1-CG1 4.26Å; L43-V52 HydrophobicContact CG-CG2 4.4Å; L43-F99 HydrophobicContact CD1-CD1 4.46Å; L43-F99 HydrophobicContact CD1-CE1 3.92Å; L43-F99 HydrophobicContact CD1-CZ 4.38Å; L43-F99 HydrophobicContact CD2-CD1 4.39Å; L43-F99 HydrophobicContact CD2-CD2 4.46Å; L43-F99 HydrophobicContact CD2-CE1 4.01Å; L43-F99 HydrophobicContact CD2-CE2 4.07Å; L43-F99 HydrophobicContact CD2-CZ 3.82Å; L43-F99 HydrophobicContact CG-CE1 4.39Å; L43-F99 HydrophobicContact CG-CZ 4.37Å; L43-W110 HydrophobicContact CB-CH2 3.61Å; L43-W110 HydrophobicContact CB-CZ2 4.19Å; L43-W110 HydrophobicContact CB-CZ3 4.19Å; L43-W110 HydrophobicContact CD2-CH2 4.41Å; L43-W110 HydrophobicContact CD2-CZ3 4.42Å
44F98.2Very high96Very high3 Ų347.1 Ų47.11%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-125.2107.1169.1-57.6-92.8000107.8L4 L22 Q25 H42 F46 L50 L51 Y63L4-F44 HydrophobicContact CD1-CD1 4.03Å; L4-F44 HydrophobicContact CD1-CD2 4.44Å; L4-F44 HydrophobicContact CD1-CE1 3.43Å; L4-F44 VanDerWaalsContact CD1-CE1 3.43Å; L4-F44 HydrophobicContact CD1-CE2 3.93Å; L4-F44 HydrophobicContact CD1-CG 4.49Å; L4-F44 HydrophobicContact CD1-CZ 3.39Å; L4-F44 HydrophobicContact CD2-CD1 3.63Å; L4-F44 HydrophobicContact CD2-CE1 3.87Å; L4-F44 HydrophobicContact CD2-CG 4.07Å; L4-F44 HydrophobicContact CG-CD1 4.49Å; L4-F44 HydrophobicContact CG-CE1 4.29Å; L22-F44 HydrophobicContact CD1-CB 4.13Å; L22-F44 HydrophobicContact CD1-CD1 4.29Å; Q25-F44 HydrophobicContact CB-CD1 3.92Å; Q25-F44 HydrophobicContact CB-CE1 4.3Å; H42-F44 HydrophobicContact CB-CE2 4.44Å; H42-F44 AromaticContact CD2-CE1 3.99Å; H42-F44 AromaticContact CD2-CE2 3.63Å; H42-F44 AromaticContact CD2-CZ 3.45Å; H42-F44 VanDerWaalsContact CD2-CZ 3.45Å; H42-F44 WeakPolarHBondContact CD2-CZ 3.23Å; F44-F46 HydrophobicContact CB-CD2 4.4Å; F44-F46 HydrophobicContact CB-CE2 3.62Å; F44-F46 HydrophobicContact CB-CZ 4Å; F44-L50 WeakPolarHBondContact O-CA 3.23Å; F44-L51 HydrophobicContact CB-CB 4.23Å; F44-L51 HydrophobicContact CD2-CB 4.43Å; F44-L51 PolarHBondContact N-O 2.81Å; F44-L51 PolarHBondContact O-N 3.21Å; F44-Y63 HydrophobicContact CE2-CD1 4.23Å; F44-Y63 HydrophobicContact CE2-CD2 4.23Å; F44-Y63 HydrophobicContact CE2-CE1 4.19Å; F44-Y63 HydrophobicContact CE2-CE2 4.27Å; F44-Y63 HydrophobicContact CE2-CG 4.25Å; F44-Y63 HydrophobicContact CZ-CD1 4.47Å; F44-Y63 HydrophobicContact CZ-CD2 4.03Å; F44-Y63 HydrophobicContact CZ-CE1 4.08Å; F44-Y63 AromaticContact CZ-CE2 3.67Å; F44-Y63 HydrophobicContact CZ-CE2 3.67Å; F44-Y63 HydrophobicContact CZ-CG 4.45Å; F44-Y63 AromaticContact CZ-CZ 3.69Å
45L98.4Very high96.3Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-92.7114173.7177.662.7000108.8I23 K24 L50 V71 W110 L114 A117I23-L45 HydrophobicContact CB-CD2 4.42Å; I23-L45 HydrophobicContact CB-CG 4.28Å; I23-L45 HydrophobicContact CG2-CD2 4.22Å; I23-L45 PolarHBondContact N-O 2.79Å; K24-L45 HydrophobicContact CB-CB 4.48Å; K24-L45 PolarHBondContact N-O 3.25Å; K24-L45 PolarHBondContact O-N 2.96Å; L45-L50 HydrophobicContact CB-CD1 3.9Å; L45-L50 HydrophobicContact CD1-CB 4.28Å; L45-L50 HydrophobicContact CD1-CD1 4.19Å; L45-V71 HydrophobicContact CD1-CG2 4.29Å; L45-W110 HydrophobicContact CB-CZ3 4.14Å; L45-L114 HydrophobicContact CD1-CD2 3.81Å; L45-L114 HydrophobicContact CD2-CD2 3.97Å; L45-L114 HydrophobicContact CD2-CG 4.16Å; L45-L114 HydrophobicContact CG-CD2 4.48Å; L45-A117 HydrophobicContact CD1-CB 4.22Å; L45-A117 HydrophobicContact CD2-CB 4.37Å; L45-A117 HydrophobicContact CG-CB 4.49Å
46F97.5Very high96.3Very high0 Ų044.2 Ų44.20%021%0.212CC..EExtended strand (participates in β ladder)trans-99168.7167-57.2-82.9000110.3M1 L4 L15 R20 E21 L22 F44 D48 M49 L51M1-F46 HydrophobicContact CE-CD1 3.89Å; M1-F46 HydrophobicContact CE-CE1 3.42Å; M1-F46 VanDerWaalsContact CE-CE1 3.42Å; M1-F46 HydrophobicContact CE-CZ 4.31Å; M1-F46 HydrophobicContact SD-CE1 3.67Å; M1-F46 HydrophobicContact SD-CZ 4.01Å; L4-F46 HydrophobicContact CD2-CE2 4.48Å; L4-F46 HydrophobicContact CD2-CZ 3.63Å; L15-F46 HydrophobicContact CD1-CE2 4.08Å; L15-F46 HydrophobicContact CD1-CZ 4Å; R20-F46 HydrophobicContact CG-CB 3.79Å; R20-F46 HydrophobicContact CG-CD1 3.55Å; R20-F46 HydrophobicContact CG-CE1 4.37Å; R20-F46 HydrophobicContact CG-CG 3.81Å; E21-F46 CarbonylContact O-C 3.43Å; E21-F46 WeakPolarHBondContact O-CA 3.38Å; E21-F46 WeakPolarHBondContact O-CB 3.5Å; L22-F46 HydrophobicContact CB-CD1 3.99Å; L22-F46 HydrophobicContact CB-CE1 3.82Å; L22-F46 HydrophobicContact CD1-CD1 3.97Å; L22-F46 HydrophobicContact CD1-CE1 3.59Å; L22-F46 HydrophobicContact CD1-CE2 4.46Å; L22-F46 HydrophobicContact CD1-CZ 3.88Å; L22-F46 HydrophobicContact CG-CE1 4.28Å; F44-F46 HydrophobicContact CB-CD2 4.4Å; F44-F46 HydrophobicContact CB-CE2 3.62Å; F44-F46 HydrophobicContact CB-CZ 4Å; F46-D48 PolarHBondContact O-N 2.84Å; F46-M49 WeakPolarHBondContact CA-O 3.48Å; F46-M49 HydrophobicContact CB-CG 4.28Å; F46-M49 WeakPolarHBondContact CB-O 3.39Å; F46-M49 HydrophobicContact CD2-CG 3.87Å; F46-M49 HydrophobicContact CG-CG 4.47Å; F46-M49 PolarHBondContact N-O 2.85Å; F46-L51 HydrophobicContact CD2-CG 4.47Å; F46-L51 HydrophobicContact CE2-CD1 3.82Å; F46-L51 HydrophobicContact CE2-CG 4.07Å
47N96.3Very high96.3Very high35 Ų3543.5 Ų43.519%0.18721%0.213CC..SBendtrans-61.3-22.1174.161.2-18.7000114.3S19 R20 E21 I23S19-N47 PolarHBondContact O-ND2 2.85Å; R20-N47 WeakPolarHBondContact CA-OD1 3.22Å; E21-N47 PolarHBondContact N-OD1 3.07Å; E21-N47 VanDerWaalsContact N-OD1 3.13Å; E21-N47 PolarHBondContact O-N 3.13Å; I23-N47 HydrophobicContact CD1-CB 3.94Å; I23-N47 HydrophobicContact CG1-CB 4.5Å
48D95.8Very high95.7Very high40 Ų4042.4 Ų42.421%0.21421%0.209CC..SBendtrans-114.2-19.2-17969.4-28.6000114.8R20 F46 V71R20-D48 IonicContact CZ-OD1 3.85Å; R20-D48 IonicContact CZ-OD2 3.32Å; R20-D48 IonicContact NE-OD1 2.89Å; R20-D48 PolarHBondContact NE-OD1 3.43Å; R20-D48 IonicContact NE-OD2 3.13Å; R20-D48 PolarHBondContact NE-OD2 2.97Å; R20-D48 VanDerWaalsContact NE-OD2 3.13Å; R20-D48 IonicContact NH2-OD1 3.98Å; R20-D48 IonicContact NH2-OD2 2.74Å; R20-D48 PolarHBondContact NH2-OD2 2.74Å; F46-D48 PolarHBondContact O-N 2.84Å; D48-V71 PolarHBondContact O-N 2.99Å
49M96.6Very high94.9Very high24 Ų2442.8 Ų42.812%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-153157.1-177.670.7-178.272.300114.4F46 L51 L69F46-M49 WeakPolarHBondContact CA-O 3.48Å; F46-M49 HydrophobicContact CB-CG 4.28Å; F46-M49 WeakPolarHBondContact CB-O 3.39Å; F46-M49 HydrophobicContact CD2-CG 3.87Å; F46-M49 HydrophobicContact CG-CG 4.47Å; F46-M49 PolarHBondContact N-O 2.85Å; M49-L51 HydrophobicContact CG-CD2 4.27Å; M49-L51 HydrophobicContact SD-CD2 3.72Å; M49-L51 HydrophobicContact SD-CG 4.33Å; M49-L69 CarbonylContact C-O 3.53Å; M49-L69 VanDerWaalsContact CA-O 3.23Å; M49-L69 WeakPolarHBondContact CA-O 3.25Å; M49-L69 WeakPolarHBondContact CB-O 3.29Å
50L98.2Very high94.2Very high0 Ų045.6 Ų45.60%024%0.237CC..EExtended strand (participates in β ladder)trans-110.6123.8166.4179.967.1000109.4L43 F44 L45 V52 S68 L69 M74 V90 L114L43-L50 HydrophobicContact CB-CD1 4.18Å; L43-L50 HydrophobicContact CD2-CD1 4.16Å; L43-L50 HydrophobicContact CD2-CD2 4.4Å; L43-L50 HydrophobicContact CG-CD1 4.32Å; F44-L50 WeakPolarHBondContact O-CA 3.23Å; L45-L50 HydrophobicContact CB-CD1 3.9Å; L45-L50 HydrophobicContact CD1-CB 4.28Å; L45-L50 HydrophobicContact CD1-CD1 4.19Å; L50-V52 HydrophobicContact CD2-CG2 4.39Å; L50-V52 HydrophobicContact CG-CG2 4.34Å; L50-S68 WeakPolarHBondContact O-CA 3.48Å; L50-L69 HydrophobicContact CD2-CD1 4.3Å; L50-L69 PolarHBondContact N-O 2.88Å; L50-L69 PolarHBondContact O-N 3.34Å; L50-M74 HydrophobicContact CB-CE 3.24Å; L50-M74 HydrophobicContact CB-SD 4.42Å; L50-M74 HydrophobicContact CD2-CE 4.39Å; L50-M74 HydrophobicContact CG-CE 4.45Å; L50-V90 HydrophobicContact CD2-CG1 4.19Å; L50-V90 HydrophobicContact CD2-CG2 4.28Å; L50-L114 HydrophobicContact CD2-CD2 4.29Å
51L97.9Very high93.6Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-98134.6169.6-53.7-176.3000110L8 V12 L15 L43 F44 F46 M49 L65L8-L51 HydrophobicContact CD1-CD1 3.79Å; V12-L51 HydrophobicContact CG2-CD1 4.04Å; V12-L51 HydrophobicContact CG2-CD2 4.26Å; L15-L51 HydrophobicContact CD1-CD1 3.98Å; L43-L51 VanDerWaalsContact CA-O 3.26Å; L43-L51 WeakPolarHBondContact CA-O 3.26Å; F44-L51 HydrophobicContact CB-CB 4.23Å; F44-L51 HydrophobicContact CD2-CB 4.43Å; F44-L51 PolarHBondContact N-O 2.81Å; F44-L51 PolarHBondContact O-N 3.21Å; F46-L51 HydrophobicContact CD2-CG 4.47Å; F46-L51 HydrophobicContact CE2-CD1 3.82Å; F46-L51 HydrophobicContact CE2-CG 4.07Å; M49-L51 HydrophobicContact CG-CD2 4.27Å; M49-L51 HydrophobicContact SD-CD2 3.72Å; M49-L51 HydrophobicContact SD-CG 4.33Å; L51-L65 HydrophobicContact CB-CD1 4.06Å; L51-L65 HydrophobicContact CD2-CD1 3.97Å; L51-L65 HydrophobicContact CG-CD1 4.48Å
52V98.2Very high93.3Very high3 Ų343.6 Ų43.62%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-118.3114.9175.8-173.40000108.1R41 L43 L50 R66 A67 L69 I97 F99R41-V52 HydrophobicContact CB-CG1 3.86Å; R41-V52 HydrophobicContact CG-CG1 3.78Å; L43-V52 HydrophobicContact CD1-CG1 4.26Å; L43-V52 HydrophobicContact CG-CG2 4.4Å; L50-V52 HydrophobicContact CD2-CG2 4.39Å; L50-V52 HydrophobicContact CG-CG2 4.34Å; V52-R66 WeakPolarHBondContact O-CA 3.46Å; V52-R66 WeakPolarHBondContact O-CB 3.45Å; V52-R66 PolarHBondContact O-N 3.44Å; V52-A67 HydrophobicContact CB-CB 4.01Å; V52-A67 HydrophobicContact CG2-CB 4.14Å; V52-A67 PolarHBondContact N-O 2.81Å; V52-A67 PolarHBondContact O-N 3.35Å; V52-A67 VanDerWaalsContact O-N 3.17Å; V52-L69 HydrophobicContact CG2-CD1 4.07Å; V52-I97 HydrophobicContact CG2-CD1 4.13Å; V52-F99 HydrophobicContact CG1-CE1 4.04Å; V52-F99 HydrophobicContact CG1-CZ 4.11Å; V52-F99 HydrophobicContact CG2-CZ 3.81Å
53C97.9Very high93.2Very high0 Ų043.4 Ų43.40%023%0.228CC..EExtended strand (participates in β ladder)trans-122.2146.5-170.4-61.90000111.5R41 H42 Y63 K64R41-C53 CarbonylContact C-O 3.54Å; R41-C53 WeakPolarHBondContact CA-O 3.14Å; R41-C53 VanDerWaalsContact CD-O 3.23Å; R41-C53 WeakPolarHBondContact CD-O 3.45Å; H42-C53 PolarHBondContact N-O 3.41Å; H42-C53 WeakPolarHBondContact O-CB 3.47Å; H42-C53 PolarHBondContact O-N 2.8Å; C53-Y63 HydrophobicContact CB-CD1 3.98Å; C53-Y63 HydrophobicContact CB-CG 4.29Å; C53-K64 CarbonylContact C-O 3.19Å; C53-K64 VanDerWaalsContact CA-O 3.25Å; C53-K64 WeakPolarHBondContact CA-O 3.43Å
54S97Very high93Very high10 Ų1048.3 Ų48.37%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-90140.9159.256.40000109.7Y63 K64 R66S54-Y63 WeakPolarHBondContact O-CA 3.18Å; S54-K64 PolarHBondContact N-O 3.22Å; S54-K64 PolarHBondContact O-N 2.84Å; S54-R66 PolarHBondContact OG-NE 3.13Å; S54-R66 PolarHBondContact OG-NH2 3.46Å
55E94.2Very high92.9Very high71 Ų7150.1 Ų50.133%0.33226%0.259SS..EExtended strand (participates in β ladder)trans-78.8142.1171-73.4179-138.300110.5R27 H42 K62 Y63R27-E55 IonicContact CZ-OE1 3.06Å; R27-E55 IonicContact CZ-OE2 3.42Å; R27-E55 IonicContact NE-OE1 2.89Å; R27-E55 PolarHBondContact NE-OE1 3.18Å; R27-E55 IonicContact NE-OE2 2.69Å; R27-E55 IonicContact NH2-OE1 3.11Å; R27-E55 PolarHBondContact NH2-OE1 2.83Å; R27-E55 IonicContact NH2-OE2 3.44Å; R27-E55 PolarHBondContact NH2-OE2 2.77Å; H42-E55 HydrophobicContact CB-CG 4.18Å; H42-E55 IonicContact CE1-OE1 3.61Å; H42-E55 IonicContact CG-OE1 3.56Å; H42-E55 IonicContact ND1-OE1 3.75Å; H42-E55 PolarHBondContact ND1-OE1 2.8Å; E55-K62 CarbonylContact C-O 3.44Å; E55-K62 WeakPolarHBondContact CA-O 3.49Å; E55-Y63 HydrophobicContact CG-CD1 3.85Å; E55-Y63 HydrophobicContact CG-CE1 3.48Å; E55-Y63 VanDerWaalsContact CG-CE1 3.48Å
56R91Very high92.8Very high106 Ų10656 Ų5640%0.428%0.281SS..  trans-117.9150.7175.1-59.2175.776.6-177.63.7108.5M58 K62 K64R56-M58 HydrophobicContact CB-CG 4.41Å; R56-M58 PolarHBondContact NH2-SD 3.41Å; R56-M58 VanDerWaalsContact NH2-SD 3.41Å; R56-M58 PolarHBondContact O-N 2.78Å; R56-K62 PolarHBondContact N-O 3.14Å; R56-K64 HydrophobicContact CG-CB 4.49Å
57V86.3Confident92.8Very high155 Ų15556.3 Ų56.394%0.93928%0.283SS*.SBendtrans-82.861.7172.2-167.40000108.9
58M81.9Confident92.8Very high88 Ų8857.7 Ų57.743%0.43330%0.296SS..  trans-137.3134.9177.4-64.4-177.3-178.700109R56 L60R56-M58 HydrophobicContact CB-CG 4.41Å; R56-M58 PolarHBondContact NH2-SD 3.41Å; R56-M58 VanDerWaalsContact NH2-SD 3.41Å; R56-M58 PolarHBondContact O-N 2.78Å; M58-L60 VanDerWaalsContact CB-O 3.25Å; M58-L60 WeakPolarHBondContact CB-O 3.2Å
59P77.8Confident92.8Very high127 Ų12756.2 Ų56.283%0.82529%0.288SS*.SBendtrans-66.6-43.8179.123.1-30000111.4
60L82.8Confident92.8Very high111 Ų11162.8 Ų62.858%0.58131%0.311SS*.SBendtrans-94146.7170.5-15275.8000109.8M58 K62M58-L60 VanDerWaalsContact CB-O 3.25Å; M58-L60 WeakPolarHBondContact CB-O 3.2Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.25Å
61N84.8Confident92.8Very high57 Ų5762.8 Ų62.831%0.30531%0.311SS..SBendtrans56.639.1-176.7-56.9-55.7000113.6H7 G9 Y63H7-N61 CarbonylContact O-C 3.6Å; H7-N61 WeakPolarHBondContact O-CA 3.39Å; G9-N61 VanDerWaalsContact CA-OD1 3.31Å; G9-N61 WeakPolarHBondContact CA-OD1 3.35Å; G9-N61 PolarHBondContact N-OD1 3.09Å; N61-Y63 PolarHBondContact O-N 3.49Å; N61-Y63 VanDerWaalsContact O-N 3.09Å
62K91.7Very high92.7Very high66 Ų6664.4 Ų64.429%0.28732%0.323SS..  trans-51-30.5178.2-179-178.2177.7-172.40113.1H7 E55 R56 L60H7-K62 HydrophobicContact CB-CB 4.26Å; H7-K62 PolarHBondContact O-N 3.43Å; H7-K62 VanDerWaalsContact O-N 3.1Å; E55-K62 CarbonylContact C-O 3.44Å; E55-K62 WeakPolarHBondContact CA-O 3.49Å; R56-K62 PolarHBondContact N-O 3.14Å; L60-K62 VanDerWaalsContact C-N 3.27Å; L60-K62 PolarHBondContact O-N 3.25Å
63Y95.7Very high92.6Very high13 Ų1367.8 Ų67.85%0.05134%0.338CS..EExtended strand (participates in β ladder)trans-110.9134.6-178.3-62.3-69.6000111.6L4 H7 Q11 H42 F44 C53 S54 E55 N61L4-Y63 HydrophobicContact CD1-CD2 4.18Å; L4-Y63 HydrophobicContact CD1-CE2 4.3Å; H7-Y63 HydrophobicContact CB-CD2 3.73Å; H7-Y63 HydrophobicContact CB-CE2 4.04Å; H7-Y63 PolarHBondContact O-N 3.03Å; Q11-Y63 PolarHBondContact NE2-O 2.98Å; H42-Y63 HydrophobicContact CB-CD1 4Å; H42-Y63 HydrophobicContact CB-CE1 3.53Å; H42-Y63 AromaticContact CG-CE1 3.55Å; H42-Y63 AromaticContact ND1-CE1 3.89Å; F44-Y63 HydrophobicContact CE2-CD1 4.23Å; F44-Y63 HydrophobicContact CE2-CD2 4.23Å; F44-Y63 HydrophobicContact CE2-CE1 4.19Å; F44-Y63 HydrophobicContact CE2-CE2 4.27Å; F44-Y63 HydrophobicContact CE2-CG 4.25Å; F44-Y63 HydrophobicContact CZ-CD1 4.47Å; F44-Y63 HydrophobicContact CZ-CD2 4.03Å; F44-Y63 HydrophobicContact CZ-CE1 4.08Å; F44-Y63 AromaticContact CZ-CE2 3.67Å; F44-Y63 HydrophobicContact CZ-CE2 3.67Å; F44-Y63 HydrophobicContact CZ-CG 4.45Å; F44-Y63 AromaticContact CZ-CZ 3.69Å; C53-Y63 HydrophobicContact CB-CD1 3.98Å; C53-Y63 HydrophobicContact CB-CG 4.29Å; S54-Y63 WeakPolarHBondContact O-CA 3.18Å; E55-Y63 HydrophobicContact CG-CD1 3.85Å; E55-Y63 HydrophobicContact CG-CE1 3.48Å; E55-Y63 VanDerWaalsContact CG-CE1 3.48Å; N61-Y63 PolarHBondContact O-N 3.49Å; N61-Y63 VanDerWaalsContact O-N 3.09Å
64K95.4Very high92.5Very high105 Ų10567.8 Ų67.846%0.45734%0.338SS..EExtended strand (participates in β ladder)trans-107121.1164.7177173.4-175.6173.40109.6C53 S54 R56 R66C53-K64 CarbonylContact C-O 3.19Å; C53-K64 VanDerWaalsContact CA-O 3.25Å; C53-K64 WeakPolarHBondContact CA-O 3.43Å; S54-K64 PolarHBondContact N-O 3.22Å; S54-K64 PolarHBondContact O-N 2.84Å; R56-K64 HydrophobicContact CG-CB 4.49Å; K64-R66 PolarHBondContact O-N 3.02Å
65L96.2Very high92.5Very high41 Ų4171.2 Ų71.222%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-64.7128.9177.2-171.567.9000109.8Q11 V12 L51 A67Q11-L65 HydrophobicContact CB-CB 4.17Å; V12-L65 HydrophobicContact CG2-CD2 3.94Å; L51-L65 HydrophobicContact CB-CD1 4.06Å; L51-L65 HydrophobicContact CD2-CD1 3.97Å; L51-L65 HydrophobicContact CG-CD1 4.48Å; L65-A67 VanDerWaalsContact CD1-O 3.25Å; L65-A67 WeakPolarHBondContact CD1-O 3.44Å
66R96.4Very high92.6Very high124 Ų12467.9 Ų67.947%0.46834%0.337SS..EExtended strand (participates in β ladder)trans-113.4-31.6177-57.2-57.7-162.1105.13.8111.9V52 S54 K64 R95V52-R66 WeakPolarHBondContact O-CA 3.46Å; V52-R66 WeakPolarHBondContact O-CB 3.45Å; V52-R66 PolarHBondContact O-N 3.44Å; S54-R66 PolarHBondContact OG-NE 3.13Å; S54-R66 PolarHBondContact OG-NH2 3.46Å; K64-R66 PolarHBondContact O-N 3.02Å; R66-R95 PolarHBondContact O-NH1 3.26Å
67A96.1Very high92.7Very high6 Ų665.5 Ų65.55%0.0533%0.332CS..EExtended strand (participates in β ladder)trans-151.8147.9172.500000110V52 L65 L69 I97V52-A67 HydrophobicContact CB-CB 4.01Å; V52-A67 HydrophobicContact CG2-CB 4.14Å; V52-A67 PolarHBondContact N-O 2.81Å; V52-A67 PolarHBondContact O-N 3.35Å; V52-A67 VanDerWaalsContact O-N 3.17Å; L65-A67 VanDerWaalsContact CD1-O 3.25Å; L65-A67 WeakPolarHBondContact CD1-O 3.44Å; A67-L69 HydrophobicContact CB-CD1 4.11Å; A67-I97 HydrophobicContact CB-CD1 3.56Å
68S96.5Very high93Very high65 Ų6561.7 Ų61.746%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-125.4134160175.20000106.9L50L50-S68 WeakPolarHBondContact O-CA 3.48Å
69L97.2Very high93.5Very high8 Ų858.2 Ų58.24%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-126.5134.9177.3-54.499.2000107.8M49 L50 V52 A67 M74 V90 T92 I97M49-L69 CarbonylContact C-O 3.53Å; M49-L69 VanDerWaalsContact CA-O 3.23Å; M49-L69 WeakPolarHBondContact CA-O 3.25Å; M49-L69 WeakPolarHBondContact CB-O 3.29Å; L50-L69 HydrophobicContact CD2-CD1 4.3Å; L50-L69 PolarHBondContact N-O 2.88Å; L50-L69 PolarHBondContact O-N 3.34Å; V52-L69 HydrophobicContact CG2-CD1 4.07Å; A67-L69 HydrophobicContact CB-CD1 4.11Å; L69-M74 HydrophobicContact CB-CE 3.48Å; L69-M74 VanDerWaalsContact CB-CE 3.48Å; L69-M74 HydrophobicContact CB-CG 4.5Å; L69-M74 WeakPolarHBondContact O-CE 3.36Å; L69-V90 HydrophobicContact CD2-CG1 4.39Å; L69-T92 HydrophobicContact CB-CG2 4.16Å; L69-T92 HydrophobicContact CD2-CG2 3.61Å; L69-T92 HydrophobicContact CG-CG2 4.4Å; L69-I97 HydrophobicContact CD1-CD1 3.79Å; L69-I97 HydrophobicContact CD2-CD1 4.37Å
70R96.4Very high94Very high162 Ų16257.8 Ų57.861%0.61128%0.281SS*.EExtended strand (participates in β ladder)trans-79.3133.1174.8-68.1179.3175.5173.7-4.9109.6S72 E73 M74R70-S72 PolarHBondContact O-N 2.81Å; R70-E73 HydrophobicContact CB-CG 4.45Å; R70-E73 PolarHBondContact O-N 2.95Å; R70-M74 WeakPolarHBondContact O-CG 3.25Å; R70-M74 PolarHBondContact O-N 2.9Å
71V96.9Very high94.2Very high0 Ų056 Ų560%027%0.27CS..G310 helixtrans-55.6-36.7176.6165.90000110.9L45 D48 E73 M74 A117 I118 F121 R130L45-V71 HydrophobicContact CD1-CG2 4.29Å; D48-V71 PolarHBondContact O-N 2.99Å; V71-E73 PolarHBondContact O-N 2.75Å; V71-M74 HydrophobicContact CB-SD 4.5Å; V71-M74 HydrophobicContact CG2-CE 4.12Å; V71-M74 HydrophobicContact CG2-SD 4.08Å; V71-M74 PolarHBondContact O-N 2.69Å; V71-M74 VanDerWaalsContact O-N 3.13Å; V71-A117 HydrophobicContact CG1-CB 4.16Å; V71-A117 WeakPolarHBondContact CG1-O 3.46Å; V71-A117 HydrophobicContact CG2-CB 4.21Å; V71-I118 HydrophobicContact CG1-CB 4.4Å; V71-I118 HydrophobicContact CG1-CG1 3.97Å; V71-F121 HydrophobicContact CG1-CB 3.89Å; V71-F121 HydrophobicContact CG1-CG 4.33Å; V71-R130 PolarHBondContact O-NH1 3.44Å
72S95.6Very high94.2Very high35 Ų3562 Ų6225%0.24530%0.301CS..G310 helixtrans-58.2-17.6176.566.90000114.9R70 R130R70-S72 PolarHBondContact O-N 2.81Å; S72-R130 VanDerWaalsContact O-CZ 3.28Å; S72-R130 PolarHBondContact O-NH1 2.77Å; S72-R130 PolarHBondContact O-NH2 3.32Å
73E96.1Very high94.1Very high73 Ų7365.3 Ų65.334%0.34132%0.321SS..G310 helixtrans-114.6-0.5-177.7-63.5178-155.500113.1R70 V71 T92R70-E73 HydrophobicContact CB-CG 4.45Å; R70-E73 PolarHBondContact O-N 2.95Å; V71-E73 PolarHBondContact O-N 2.75Å; E73-T92 HydrophobicContact CB-CG2 4.05Å; E73-T92 WeakPolarHBondContact O-CA 3.28Å
74M97.4Very high93.9Very high0 Ų066.5 Ų66.50%033%0.328CS..  trans-81.2145.1-172.3-74.1174-167.700113.9L50 L69 R70 V71 V90 R91 L114 I118L50-M74 HydrophobicContact CB-CE 3.24Å; L50-M74 HydrophobicContact CB-SD 4.42Å; L50-M74 HydrophobicContact CD2-CE 4.39Å; L50-M74 HydrophobicContact CG-CE 4.45Å; L69-M74 HydrophobicContact CB-CE 3.48Å; L69-M74 VanDerWaalsContact CB-CE 3.48Å; L69-M74 HydrophobicContact CB-CG 4.5Å; L69-M74 WeakPolarHBondContact O-CE 3.36Å; R70-M74 WeakPolarHBondContact O-CG 3.25Å; R70-M74 PolarHBondContact O-N 2.9Å; V71-M74 HydrophobicContact CB-SD 4.5Å; V71-M74 HydrophobicContact CG2-CE 4.12Å; V71-M74 HydrophobicContact CG2-SD 4.08Å; V71-M74 PolarHBondContact O-N 2.69Å; V71-M74 VanDerWaalsContact O-N 3.13Å; M74-V90 HydrophobicContact CB-CG1 4.47Å; M74-V90 HydrophobicContact CG-CG1 3.89Å; M74-V90 HydrophobicContact SD-CG1 4.03Å; M74-R91 CarbonylContact C-O 3.55Å; M74-R91 VanDerWaalsContact CA-O 3.32Å; M74-R91 WeakPolarHBondContact CA-O 3.5Å; M74-L114 HydrophobicContact SD-CD2 4.3Å; M74-I118 HydrophobicContact CB-CD1 3.8Å; M74-I118 HydrophobicContact CB-CG1 4.17Å
75F96Very high93.8Very high83 Ų8368.7 Ų68.736%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-124.7141162.7-64.8-103000108V90 R91 R130F75-V90 CarbonylContact O-C 3.46Å; F75-V90 WeakPolarHBondContact O-CA 3.14Å; F75-R91 HydrophobicContact CB-CB 4.31Å; F75-R91 PolarHBondContact N-O 2.85Å; F75-R91 PolarHBondContact O-N 3.32Å; F75-R130 CarbonylContact C-O 3.57Å; F75-R130 WeakPolarHBondContact CA-O 3.07Å; F75-R130 HydrophobicContact CD1-CB 4.04Å; F75-R130 HydrophobicContact CD1-CG 4.01Å; F75-R130 HydrophobicContact CE1-CB 4.32Å; F75-R130 HydrophobicContact CE1-CG 3.8Å; F75-R130 HydrophobicContact CG-CB 4.49Å; F75-R130 HydrophobicContact CZ-CG 4.19Å
76V96Very high93.7Very high0 Ų068 Ų680%034%0.337CS..EExtended strand (participates in β ladder)trans-114.5129.3175.8-1710000107.8F88 Y89 M111 L114 I118 R130 V131 S132V76-F88 HydrophobicContact CG1-CD2 4.29Å; V76-Y89 WeakPolarHBondContact CA-O 3.26Å; V76-M111 HydrophobicContact CG1-CB 4.3Å; V76-M111 HydrophobicContact CG1-CE 3.76Å; V76-M111 HydrophobicContact CG1-CG 4.02Å; V76-L114 HydrophobicContact CG1-CD1 4.33Å; V76-L114 HydrophobicContact CG2-CB 3.72Å; V76-L114 HydrophobicContact CG2-CD1 4.17Å; V76-L114 HydrophobicContact CG2-CG 4.49Å; V76-I118 HydrophobicContact CG2-CD1 3.9Å; V76-R130 PolarHBondContact N-O 3.3Å; V76-V131 HydrophobicContact CB-CG2 4.03Å; V76-V131 HydrophobicContact CG2-CG2 4.28Å; V76-V131 WeakPolarHBondContact O-CA 3.32Å; V76-S132 PolarHBondContact O-N 2.81Å
77L94.4Very high93.6Very high57 Ų5762.2 Ų62.230%0.29832%0.315SS..EExtended strand (participates in β ladder)trans-139.1148.8-175-54.4165.5000110.3F88 Y89L77-F88 CarbonylContact O-C 3.45Å; L77-F88 VanDerWaalsContact O-CA 3.26Å; L77-F88 WeakPolarHBondContact O-CA 3.05Å; L77-F88 WeakPolarHBondContact O-CB 3.41Å; L77-Y89 PolarHBondContact N-O 3.48Å; L77-Y89 PolarHBondContact O-N 3.48Å
78E92.4Very high93.7Very high74 Ų7462 Ų6235%0.34631%0.313SS..EExtended strand (participates in β ladder)trans-58.7142.6172.3-166.766.1-17800111Y89 K107 E135E78-Y89 WeakPolarHBondContact O-CD2 3.3Å; E78-K107 IonicContact OE1-NZ 3.68Å; E78-K107 PolarHBondContact OE1-NZ 3.47Å; E78-K107 WeakPolarHBondContact OE2-CE 3.45Å; E78-K107 IonicContact OE2-NZ 3.35Å; E78-K107 PolarHBondContact OE2-NZ 2.86Å; E78-E135 WeakPolarHBondContact CA-OE1 3.45Å; E78-E135 VanDerWaalsContact CB-OE1 3.32Å; E78-E135 WeakPolarHBondContact CB-OE1 3.45Å; E78-E135 PolarHBondContact N-OE1 2.75Å
79G92.2Very high93.7Very high15 Ų1561 Ų6116%0.15530%0.3CS..  trans-63.7140.3167.500000110A87G79-A87 WeakPolarHBondContact CA-O 3.39Å; G79-A87 PolarHBondContact N-O 3.08Å
80D88.3Confident93.7Very high118 Ų11860.6 Ų60.663%0.63130%0.298SS*.  trans-108.53.5-175.157.1-10.5000113.2Y89D80-Y89 WeakPolarHBondContact OD1-CE2 3.35Å; D80-Y89 PolarHBondContact OD1-OH 2.84Å
81H86.6Confident93.7Very high75 Ų7559.6 Ų59.635%0.34729%0.294SS..  trans-72.2137.1171.2-59.7-75.6000111I84 E98H81-I84 HydrophobicContact CB-CB 3.83Å; H81-I84 HydrophobicContact CB-CD1 4.14Å; H81-I84 HydrophobicContact CB-CG1 3.87Å; H81-E98 IonicContact CD2-OE1 4Å; H81-E98 PolarHBondContact CD2-OE1 3.45Å; H81-E98 IonicContact CD2-OE2 2.65Å; H81-E98 VanDerWaalsContact NE2-CD 3.33Å; H81-E98 IonicContact NE2-OE1 2.78Å; H81-E98 PolarHBondContact NE2-OE1 2.97Å; H81-E98 VanDerWaalsContact NE2-OE1 3.11Å; H81-E98 IonicContact NE2-OE2 3.53Å; H81-E98 PolarHBondContact NE2-OE2 3.5Å
82L85.6Confident93.6Very high182 Ų18260.1 Ų60.195%0.95330%0.297SS*.SBendtrans-77.3-25.9179-64.5174.3000112.7
83D89.4Confident93.5Very high135 Ų13570.2 Ų70.272%0.72233%0.33SS*.SBendtrans-108.3-8.8-172.262.2-34.5000113.5
84I90.8Very high93.3Very high38 Ų3875.9 Ų75.920%0.19535%0.353CS..  trans-105.8101177.6-50-178.5000110.2L31 H81 A87 C100L31-I84 HydrophobicContact CD1-CD1 3.68Å; L31-I84 HydrophobicContact CD1-CG2 4.03Å; L31-I84 HydrophobicContact CD2-CD1 4.46Å; H81-I84 HydrophobicContact CB-CB 3.83Å; H81-I84 HydrophobicContact CB-CD1 4.14Å; H81-I84 HydrophobicContact CB-CG1 3.87Å; I84-A87 HydrophobicContact CB-CB 4.47Å; I84-A87 HydrophobicContact CG2-CB 4.05Å; I84-C100 HydrophobicContact CG2-CB 4.3Å
85E92.8Very high93.1Very high152 Ų15282 Ų8271%0.7138%0.376SS*.THydrogen-bonded Turntrans-66.7152.3174.2-62.9-174.6176.700112.1A87 C100E85-A87 PolarHBondContact O-N 2.8Å; E85-C100 PolarHBondContact O-SG 2.86Å
86N94.5Very high93.1Very high27 Ų2780.7 Ų80.714%0.14438%0.381CS..THydrogen-bonded Turntrans57.825.5171.8-45.1-56.8000114.1A101 L104 K107N86-A101 HydrophobicContact CB-CB 4.35Å; N86-A101 WeakPolarHBondContact CB-O 3.26Å; N86-A101 PolarHBondContact O-N 3.08Å; N86-A101 VanDerWaalsContact O-N 3.11Å; N86-L104 WeakPolarHBondContact OD1-CA 3.26Å; N86-L104 PolarHBondContact OD1-N 3.1Å; N86-L104 VanDerWaalsContact OD1-N 3.11Å; N86-K107 HydrophobicContact CB-CB 4.3Å; N86-K107 HydrophobicContact CB-CD 4.19Å
87A95.8Very high93.2Very high2 Ų281.2 Ų81.22%0.01738%0.384CS..EExtended strand (participates in β ladder)trans-80.9147.617300000111.9G79 I84 E85 F99 K107G79-A87 WeakPolarHBondContact CA-O 3.39Å; G79-A87 PolarHBondContact N-O 3.08Å; I84-A87 HydrophobicContact CB-CB 4.47Å; I84-A87 HydrophobicContact CG2-CB 4.05Å; E85-A87 PolarHBondContact O-N 2.8Å; A87-F99 CarbonylContact C-O 3.38Å; A87-F99 WeakPolarHBondContact CA-O 3.41Å; A87-K107 WeakPolarHBondContact O-CE 3.16Å; A87-K107 PolarHBondContact O-NZ 3.43Å
88F96.2Very high93.3Very high1 Ų179.3 Ų79.30%0.00437%0.373CS..EExtended strand (participates in β ladder)trans-156.7155.117169.7-83.5000110.9L28 V76 L77 V90 F99 K107 W110 M111 L114L28-F88 HydrophobicContact CD1-CE1 3.98Å; L28-F88 HydrophobicContact CD1-CZ 3.65Å; V76-F88 HydrophobicContact CG1-CD2 4.29Å; L77-F88 CarbonylContact O-C 3.45Å; L77-F88 VanDerWaalsContact O-CA 3.26Å; L77-F88 WeakPolarHBondContact O-CA 3.05Å; L77-F88 WeakPolarHBondContact O-CB 3.41Å; F88-V90 HydrophobicContact CD2-CG2 4.39Å; F88-V90 HydrophobicContact CE2-CG2 3.99Å; F88-F99 HydrophobicContact CD1-CB 4.41Å; F88-F99 HydrophobicContact CE1-CB 3.9Å; F88-F99 HydrophobicContact CE2-CB 4.35Å; F88-F99 HydrophobicContact CE2-CD2 4.09Å; F88-F99 HydrophobicContact CZ-CB 3.88Å; F88-F99 HydrophobicContact CZ-CD2 4.24Å; F88-F99 HydrophobicContact CZ-CG 4.43Å; F88-F99 PolarHBondContact N-O 2.98Å; F88-F99 PolarHBondContact O-N 3.48Å; F88-K107 HydrophobicContact CD1-CD 4.49Å; F88-K107 HydrophobicContact CD1-CG 4.07Å; F88-W110 HydrophobicContact CE1-CB 4.38Å; F88-W110 HydrophobicContact CZ-CB 3.94Å; F88-W110 HydrophobicContact CZ-CG 4.47Å; F88-M111 HydrophobicContact CB-CE 3.84Å; F88-M111 HydrophobicContact CB-CG 4.35Å; F88-M111 HydrophobicContact CB-SD 3.91Å; F88-M111 HydrophobicContact CD1-CG 4.43Å; F88-M111 HydrophobicContact CD2-CG 4.07Å; F88-M111 HydrophobicContact CE2-CG 4.48Å; F88-M111 HydrophobicContact CG-CE 4.48Å; F88-M111 HydrophobicContact CG-CG 4.04Å; F88-M111 HydrophobicContact CG-SD 4.18Å; F88-L114 HydrophobicContact CE2-CD1 3.8Å
89Y96.8Very high93.6Very high44 Ų4475.8 Ų75.817%0.17336%0.357CS..EExtended strand (participates in β ladder)trans-103141.1177.3-62.8-87000111.8V76 L77 E78 D80 I97 E98V76-Y89 WeakPolarHBondContact CA-O 3.26Å; L77-Y89 PolarHBondContact N-O 3.48Å; L77-Y89 PolarHBondContact O-N 3.48Å; E78-Y89 WeakPolarHBondContact O-CD2 3.3Å; D80-Y89 WeakPolarHBondContact OD1-CE2 3.35Å; D80-Y89 PolarHBondContact OD1-OH 2.84Å; Y89-I97 WeakPolarHBondContact CA-O 3.48Å; Y89-E98 HydrophobicContact CD1-CB 3.58Å; Y89-E98 HydrophobicContact CD1-CG 3.74Å; Y89-E98 HydrophobicContact CE1-CB 3.47Å; Y89-E98 VanDerWaalsContact CE1-CB 3.47Å; Y89-E98 HydrophobicContact CE1-CG 3.5Å; Y89-E98 VanDerWaalsContact CE1-CG 3.5Å; Y89-E98 HydrophobicContact CE2-CG 4.37Å; Y89-E98 HydrophobicContact CG-CB 4.49Å; Y89-E98 HydrophobicContact CG-CG 4.29Å; Y89-E98 PolarHBondContact OH-OE1 3.39Å; Y89-E98 PolarHBondContact OH-OE2 3.43Å
90V97.8Very high93.8Very high0 Ų076.2 Ų76.20%036%0.358CS..EExtended strand (participates in β ladder)trans-108.4112.9156.4-176.20000107.9L50 L69 M74 F75 F88 I97 F99 L114L50-V90 HydrophobicContact CD2-CG1 4.19Å; L50-V90 HydrophobicContact CD2-CG2 4.28Å; L69-V90 HydrophobicContact CD2-CG1 4.39Å; M74-V90 HydrophobicContact CB-CG1 4.47Å; M74-V90 HydrophobicContact CG-CG1 3.89Å; M74-V90 HydrophobicContact SD-CG1 4.03Å; F75-V90 CarbonylContact O-C 3.46Å; F75-V90 WeakPolarHBondContact O-CA 3.14Å; F88-V90 HydrophobicContact CD2-CG2 4.39Å; F88-V90 HydrophobicContact CE2-CG2 3.99Å; V90-I97 PolarHBondContact N-O 2.76Å; V90-I97 PolarHBondContact O-N 3.36Å; V90-F99 HydrophobicContact CB-CE2 4.25Å; V90-F99 HydrophobicContact CG2-CD2 4.12Å; V90-F99 HydrophobicContact CG2-CE2 3.95Å; V90-L114 HydrophobicContact CG2-CD1 3.78Å; V90-L114 HydrophobicContact CG2-CD2 4.47Å
91R96.1Very high94.3Very high141 Ų14170.8 Ų70.853%0.53233%0.329SS..EExtended strand (participates in β ladder)trans-115144.1-174.2-177.7174.4179175.50.2111.6M74 F75 R95 A96M74-R91 CarbonylContact C-O 3.55Å; M74-R91 VanDerWaalsContact CA-O 3.32Å; M74-R91 WeakPolarHBondContact CA-O 3.5Å; F75-R91 HydrophobicContact CB-CB 4.31Å; F75-R91 PolarHBondContact N-O 2.85Å; F75-R91 PolarHBondContact O-N 3.32Å; R91-R95 CarbonylContact C-O 3.5Å; R91-A96 HydrophobicContact CB-CB 4.27Å; R91-A96 HydrophobicContact CG-CB 4.13Å
92T96.2Very high94.7Very high10 Ų1075.6 Ų75.66%0.06135%0.349CS..  trans-128.6177.4166.160.80000107.8L69 E73 K94 R95L69-T92 HydrophobicContact CB-CG2 4.16Å; L69-T92 HydrophobicContact CD2-CG2 3.61Å; L69-T92 HydrophobicContact CG-CG2 4.4Å; E73-T92 HydrophobicContact CB-CG2 4.05Å; E73-T92 WeakPolarHBondContact O-CA 3.28Å; T92-K94 PolarHBondContact O-N 2.88Å; T92-K94 PolarHBondContact OG1-N 3.39Å; T92-R95 PolarHBondContact N-O 2.95Å; T92-R95 PolarHBondContact OG1-N 3.44Å; T92-R95 VanDerWaalsContact OG1-N 3.14Å; T92-R95 PolarHBondContact OG1-O 2.9Å
93R92.7Very high95.2Very high247 Ų24770.3 Ų70.393%0.93232%0.324SS*.SBendtrans-59.2-32.2173.7-170.1175.7-179.2-172.91.1113.1
94K91.7Very high95.3Very high192 Ų19268.3 Ų68.384%0.83531%0.313SS*.SBendtrans-96.9-19.6-172.8-65.1-179.7-179.4174.60114T92T92-K94 PolarHBondContact O-N 2.88Å; T92-K94 PolarHBondContact OG1-N 3.39Å
95R93.7Very high95.4Very high128 Ų12873 Ų7348%0.48333%0.332SS..  trans-157.3140.5-170.9-173175.4-68.1-171.7-0.8111.1R66 R91 T92 I97R66-R95 PolarHBondContact O-NH1 3.26Å; R91-R95 CarbonylContact C-O 3.5Å; T92-R95 PolarHBondContact N-O 2.95Å; T92-R95 PolarHBondContact OG1-N 3.44Å; T92-R95 VanDerWaalsContact OG1-N 3.14Å; T92-R95 PolarHBondContact OG1-O 2.9Å; R95-I97 HydrophobicContact CG-CD1 4.47Å; R95-I97 HydrophobicContact CG-CG1 3.87Å
96A95.2Very high95.6Very high57 Ų5768 Ų6847%0.47131%0.309SS..EExtended strand (participates in β ladder)trans-111.5137.3159.500000108.4R91R91-A96 HydrophobicContact CB-CB 4.27Å; R91-A96 HydrophobicContact CG-CB 4.13Å
97I97.8Very high95.6Very high10 Ų1066.9 Ų66.95%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-124123.8172-51.1-178.1000107.1K30 V52 A67 L69 Y89 V90 R95 F99K30-I97 HydrophobicContact CG-CG2 3.62Å; V52-I97 HydrophobicContact CG2-CD1 4.13Å; A67-I97 HydrophobicContact CB-CD1 3.56Å; L69-I97 HydrophobicContact CD1-CD1 3.79Å; L69-I97 HydrophobicContact CD2-CD1 4.37Å; Y89-I97 WeakPolarHBondContact CA-O 3.48Å; V90-I97 PolarHBondContact N-O 2.76Å; V90-I97 PolarHBondContact O-N 3.36Å; R95-I97 HydrophobicContact CG-CD1 4.47Å; R95-I97 HydrophobicContact CG-CG1 3.87Å; I97-F99 HydrophobicContact CB-CE2 4.01Å; I97-F99 HydrophobicContact CB-CZ 4.03Å; I97-F99 HydrophobicContact CG2-CD1 4.35Å; I97-F99 HydrophobicContact CG2-CD2 4.39Å; I97-F99 HydrophobicContact CG2-CE1 3.69Å; I97-F99 HydrophobicContact CG2-CE2 3.75Å; I97-F99 HydrophobicContact CG2-CZ 3.36Å
98E97.5Very high95.5Very high17 Ų1767.1 Ų67.18%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-94.2133.6175-163.4173.5-168.200110.5K30 L31 H81 Y89K30-E98 WeakPolarHBondContact CA-O 3.35Å; L31-E98 HydrophobicContact CB-CB 4.21Å; L31-E98 HydrophobicContact CB-CG 4.43Å; L31-E98 HydrophobicContact CD1-CG 3.91Å; L31-E98 HydrophobicContact CG-CG 4.47Å; L31-E98 PolarHBondContact N-O 3.31Å; H81-E98 IonicContact CD2-OE1 4Å; H81-E98 PolarHBondContact CD2-OE1 3.45Å; H81-E98 IonicContact CD2-OE2 2.65Å; H81-E98 VanDerWaalsContact NE2-CD 3.33Å; H81-E98 IonicContact NE2-OE1 2.78Å; H81-E98 PolarHBondContact NE2-OE1 2.97Å; H81-E98 VanDerWaalsContact NE2-OE1 3.11Å; H81-E98 IonicContact NE2-OE2 3.53Å; H81-E98 PolarHBondContact NE2-OE2 3.5Å; Y89-E98 HydrophobicContact CD1-CB 3.58Å; Y89-E98 HydrophobicContact CD1-CG 3.74Å; Y89-E98 HydrophobicContact CE1-CB 3.47Å; Y89-E98 VanDerWaalsContact CE1-CB 3.47Å; Y89-E98 HydrophobicContact CE1-CG 3.5Å; Y89-E98 VanDerWaalsContact CE1-CG 3.5Å; Y89-E98 HydrophobicContact CE2-CG 4.37Å; Y89-E98 HydrophobicContact CG-CB 4.49Å; Y89-E98 HydrophobicContact CG-CG 4.29Å; Y89-E98 PolarHBondContact OH-OE1 3.39Å; Y89-E98 PolarHBondContact OH-OE2 3.43Å
99F98.2Very high95.4Very high0 Ų070.4 Ų70.40%032%0.319CS..EExtended strand (participates in β ladder)trans-121.8148.1176.1-60.5-71.5000111L28 I29 K30 L43 V52 A87 F88 V90 I97L28-F99 HydrophobicContact CB-CB 4.32Å; L28-F99 HydrophobicContact CB-CD1 4.13Å; L28-F99 HydrophobicContact CD1-CB 3.84Å; L28-F99 HydrophobicContact CD1-CD1 4.36Å; L28-F99 HydrophobicContact CD1-CG 4.05Å; I29-F99 CarbonylContact O-C 3.49Å; I29-F99 WeakPolarHBondContact O-CA 3.33Å; K30-F99 HydrophobicContact CB-CD1 4.06Å; K30-F99 HydrophobicContact CB-CE1 4.04Å; K30-F99 HydrophobicContact CG-CE1 4.28Å; L43-F99 HydrophobicContact CD1-CD1 4.46Å; L43-F99 HydrophobicContact CD1-CE1 3.92Å; L43-F99 HydrophobicContact CD1-CZ 4.38Å; L43-F99 HydrophobicContact CD2-CD1 4.39Å; L43-F99 HydrophobicContact CD2-CD2 4.46Å; L43-F99 HydrophobicContact CD2-CE1 4.01Å; L43-F99 HydrophobicContact CD2-CE2 4.07Å; L43-F99 HydrophobicContact CD2-CZ 3.82Å; L43-F99 HydrophobicContact CG-CE1 4.39Å; L43-F99 HydrophobicContact CG-CZ 4.37Å; V52-F99 HydrophobicContact CG1-CE1 4.04Å; V52-F99 HydrophobicContact CG1-CZ 4.11Å; V52-F99 HydrophobicContact CG2-CZ 3.81Å; A87-F99 CarbonylContact C-O 3.38Å; A87-F99 WeakPolarHBondContact CA-O 3.41Å; F88-F99 HydrophobicContact CD1-CB 4.41Å; F88-F99 HydrophobicContact CE1-CB 3.9Å; F88-F99 HydrophobicContact CE2-CB 4.35Å; F88-F99 HydrophobicContact CE2-CD2 4.09Å; F88-F99 HydrophobicContact CZ-CB 3.88Å; F88-F99 HydrophobicContact CZ-CD2 4.24Å; F88-F99 HydrophobicContact CZ-CG 4.43Å; F88-F99 PolarHBondContact N-O 2.98Å; F88-F99 PolarHBondContact O-N 3.48Å; V90-F99 HydrophobicContact CB-CE2 4.25Å; V90-F99 HydrophobicContact CG2-CD2 4.12Å; V90-F99 HydrophobicContact CG2-CE2 3.95Å; I97-F99 HydrophobicContact CB-CE2 4.01Å; I97-F99 HydrophobicContact CB-CZ 4.03Å; I97-F99 HydrophobicContact CG2-CD1 4.35Å; I97-F99 HydrophobicContact CG2-CD2 4.39Å; I97-F99 HydrophobicContact CG2-CE1 3.69Å; I97-F99 HydrophobicContact CG2-CE2 3.75Å; I97-F99 HydrophobicContact CG2-CZ 3.36Å
100C96.9Very high95.4Very high25 Ų2568.5 Ų68.517%0.16931%0.312CS..EExtended strand (participates in β ladder)trans-120.7128.7169.4174.60000108.9I29 L31 I84 E85I29-C100 HydrophobicContact CB-CB 4.29Å; I29-C100 PolarHBondContact N-O 3.13Å; I29-C100 VanDerWaalsContact N-O 3.08Å; I29-C100 PolarHBondContact O-N 2.89Å; L31-C100 HydrophobicContact CD1-CB 4.45Å; L31-C100 HydrophobicContact CD2-CB 4.49Å; I84-C100 HydrophobicContact CG2-CB 4.3Å; E85-C100 PolarHBondContact O-SG 2.86Å
101A97.4Very high95.3Very high4 Ų468.6 Ų68.63%0.03331%0.312CS..  trans-93.9158.7173.900000111.3L28 N86 T103 E106 K107L28-A101 HydrophobicContact CD2-CB 3.74Å; N86-A101 HydrophobicContact CB-CB 4.35Å; N86-A101 WeakPolarHBondContact CB-O 3.26Å; N86-A101 PolarHBondContact O-N 3.08Å; N86-A101 VanDerWaalsContact O-N 3.11Å; A101-T103 VanDerWaalsContact C-N 3.28Å; A101-T103 PolarHBondContact O-N 3.04Å; A101-E106 HydrophobicContact CB-CB 4.07Å; A101-E106 HydrophobicContact CB-CG 3.97Å; A101-K107 HydrophobicContact CB-CB 3.85Å
102K96.7Very high95.2Very high175 Ų17562.9 Ų62.976%0.76129%0.292SS*.SBendtrans-72.7-24.1-178.3-62.8-180-180-177.70113.3E106K102-E106 WeakPolarHBondContact CB-OE2 3.4Å; K102-E106 PolarHBondContact N-OE2 3.44Å
103T94.9Very high95.2Very high71 Ų7163.1 Ų63.144%0.43629%0.294SS..SBendtrans-144.7156-177.564.90000110.1A101 K105 E106 K107A101-T103 VanDerWaalsContact C-N 3.28Å; A101-T103 PolarHBondContact O-N 3.04Å; T103-K105 PolarHBondContact O-N 2.99Å; T103-E106 PolarHBondContact O-N 2.9Å; T103-E106 VanDerWaalsContact O-N 3.17Å; T103-E106 WeakPolarHBondContact OG1-CB 3.4Å; T103-E106 PolarHBondContact OG1-N 2.82Å; T103-E106 VanDerWaalsContact OG1-N 3.08Å; T103-K107 PolarHBondContact O-N 3.5Å
104L92.6Very high95.3Very high94 Ų9451.5 Ų51.549%0.49225%0.25SC..Hα-helixtrans-55.8-40.2172.5179.160.9000111.6N86 K107 V108N86-L104 WeakPolarHBondContact OD1-CA 3.26Å; N86-L104 PolarHBondContact OD1-N 3.1Å; N86-L104 VanDerWaalsContact OD1-N 3.11Å; L104-K107 WeakPolarHBondContact O-CB 3.16Å; L104-K107 PolarHBondContact O-N 3.42Å; L104-V108 HydrophobicContact CD1-CG2 4.26Å; L104-V108 HydrophobicContact CG-CG2 4.47Å; L104-V108 WeakPolarHBondContact O-CG2 3.4Å; L104-V108 PolarHBondContact O-N 2.81Å
105K92.6Very high95.4Very high137 Ų13744.6 Ų44.660%0.59622%0.219SC*.Hα-helixtrans-59.2-48.8176.8-176.9-177.3174.2-170.70111.8T103 K107 V108 E109T103-K105 PolarHBondContact O-N 2.99Å; K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 3.24Å; K105-V108 PolarHBondContact O-N 3.08Å; K105-E109 WeakPolarHBondContact CE-OE1 3.42Å; K105-E109 IonicContact NZ-OE1 2.74Å; K105-E109 WeakPolarHBondContact O-CG 3.48Å; K105-E109 PolarHBondContact O-N 2.72Å
106E96.2Very high95.4Very high46 Ų4643.2 Ų43.222%0.21521%0.213CC..Hα-helixtrans-62.3-40.4179.2-179.2177.1-135.300111.4L28 A101 K102 T103 E109 W110L28-E106 HydrophobicContact CD2-CG 4.5Å; A101-E106 HydrophobicContact CB-CB 4.07Å; A101-E106 HydrophobicContact CB-CG 3.97Å; K102-E106 WeakPolarHBondContact CB-OE2 3.4Å; K102-E106 PolarHBondContact N-OE2 3.44Å; T103-E106 PolarHBondContact O-N 2.9Å; T103-E106 VanDerWaalsContact O-N 3.17Å; T103-E106 WeakPolarHBondContact OG1-CB 3.4Å; T103-E106 PolarHBondContact OG1-N 2.82Å; T103-E106 VanDerWaalsContact OG1-N 3.08Å; E106-E109 PolarHBondContact O-N 2.91Å; E106-W110 VanDerWaalsContact O-CD1 3.23Å; E106-W110 PolarHBondContact O-N 3.12Å; E106-W110 VanDerWaalsContact O-N 3.07Å
107K94.8Very high95.4Very high4 Ų440.5 Ų40.52%0.01719%0.191CC..Hα-helixtrans-58.2-53.2172.7166.4174.7169.6174.90111.7E78 N86 A87 F88 A101 T103 L104 K105 E109 W110 M111E78-K107 IonicContact OE1-NZ 3.68Å; E78-K107 PolarHBondContact OE1-NZ 3.47Å; E78-K107 WeakPolarHBondContact OE2-CE 3.45Å; E78-K107 IonicContact OE2-NZ 3.35Å; E78-K107 PolarHBondContact OE2-NZ 2.86Å; N86-K107 HydrophobicContact CB-CB 4.3Å; N86-K107 HydrophobicContact CB-CD 4.19Å; A87-K107 WeakPolarHBondContact O-CE 3.16Å; A87-K107 PolarHBondContact O-NZ 3.43Å; F88-K107 HydrophobicContact CD1-CD 4.49Å; F88-K107 HydrophobicContact CD1-CG 4.07Å; A101-K107 HydrophobicContact CB-CB 3.85Å; T103-K107 PolarHBondContact O-N 3.5Å; L104-K107 WeakPolarHBondContact O-CB 3.16Å; L104-K107 PolarHBondContact O-N 3.42Å; K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 3.24Å; K107-E109 VanDerWaalsContact C-N 3.31Å; K107-E109 PolarHBondContact O-N 3.05Å; K107-W110 PolarHBondContact O-N 3.07Å; K107-W110 VanDerWaalsContact O-N 3.12Å; K107-M111 HydrophobicContact CD-SD 4.14Å; K107-M111 WeakPolarHBondContact CE-SD 3.32Å; K107-M111 HydrophobicContact CG-CG 4.28Å; K107-M111 HydrophobicContact CG-SD 3.58Å; K107-M111 VanDerWaalsContact CG-SD 3.58Å; K107-M111 WeakPolarHBondContact O-CG 3.44Å; K107-M111 PolarHBondContact O-N 2.9Å
108V93.1Very high95.3Very high7 Ų740 Ų404%0.04219%0.189CC..Hα-helixtrans-58.4-44.6-179.1172.20000110.7L104 K105 W110 M111 E112L104-V108 HydrophobicContact CD1-CG2 4.26Å; L104-V108 HydrophobicContact CG-CG2 4.47Å; L104-V108 WeakPolarHBondContact O-CG2 3.4Å; L104-V108 PolarHBondContact O-N 2.81Å; K105-V108 PolarHBondContact O-N 3.08Å; V108-W110 VanDerWaalsContact C-N 3.32Å; V108-W110 PolarHBondContact O-N 2.81Å; V108-M111 PolarHBondContact O-N 3.4Å; V108-E112 VanDerWaalsContact O-CB 3.23Å; V108-E112 WeakPolarHBondContact O-CB 3.4Å; V108-E112 PolarHBondContact O-N 2.8Å
109E94.5Very high95.1Very high70 Ų7040.1 Ų40.133%0.32719%0.191SC..Hα-helixtrans-60.6-39.1177.2-73.5178.8-173.500113K24 K105 E106 K107 S113K24-E109 IonicContact NZ-OE2 3.27Å; K24-E109 PolarHBondContact NZ-OE2 3.37Å; K105-E109 WeakPolarHBondContact CE-OE1 3.42Å; K105-E109 IonicContact NZ-OE1 2.74Å; K105-E109 WeakPolarHBondContact O-CG 3.48Å; K105-E109 PolarHBondContact O-N 2.72Å; E106-E109 PolarHBondContact O-N 2.91Å; K107-E109 VanDerWaalsContact C-N 3.31Å; K107-E109 PolarHBondContact O-N 3.05Å; E109-S113 WeakPolarHBondContact O-CB 3.34Å; E109-S113 PolarHBondContact O-N 3.5Å; E109-S113 PolarHBondContact O-OG 3.02Å
110W97.2Very high94.8Very high3 Ų346.5 Ų46.51%0.01122%0.221CC..Hα-helixtrans-67.3-48.1175.5-88.4111000111.9K24 L28 L43 L45 F88 E106 K107 V108 E112 S113 L114K24-W110 HydrophobicContact CB-CH2 4.41Å; K24-W110 HydrophobicContact CB-CZ3 4.15Å; K24-W110 HydrophobicContact CD-CD2 3.82Å; K24-W110 HydrophobicContact CD-CE3 3.8Å; K24-W110 HydrophobicContact CD-CG 4.37Å; K24-W110 HydrophobicContact CD-CH2 4.31Å; K24-W110 HydrophobicContact CD-CZ2 4.34Å; K24-W110 HydrophobicContact CD-CZ3 4.04Å; K24-W110 HydrophobicContact CG-CE3 4.29Å; K24-W110 HydrophobicContact CG-CH2 3.98Å; K24-W110 HydrophobicContact CG-CZ2 4.23Å; K24-W110 HydrophobicContact CG-CZ3 4Å; L28-W110 HydrophobicContact CD1-CD2 4.15Å; L28-W110 HydrophobicContact CD1-CG 4.1Å; L43-W110 HydrophobicContact CB-CH2 3.61Å; L43-W110 HydrophobicContact CB-CZ2 4.19Å; L43-W110 HydrophobicContact CB-CZ3 4.19Å; L43-W110 HydrophobicContact CD2-CH2 4.41Å; L43-W110 HydrophobicContact CD2-CZ3 4.42Å; L45-W110 HydrophobicContact CB-CZ3 4.14Å; F88-W110 HydrophobicContact CE1-CB 4.38Å; F88-W110 HydrophobicContact CZ-CB 3.94Å; F88-W110 HydrophobicContact CZ-CG 4.47Å; E106-W110 VanDerWaalsContact O-CD1 3.23Å; E106-W110 PolarHBondContact O-N 3.12Å; E106-W110 VanDerWaalsContact O-N 3.07Å; K107-W110 PolarHBondContact O-N 3.07Å; K107-W110 VanDerWaalsContact O-N 3.12Å; V108-W110 VanDerWaalsContact C-N 3.32Å; V108-W110 PolarHBondContact O-N 2.81Å; W110-E112 VanDerWaalsContact C-N 3.33Å; W110-E112 PolarHBondContact O-N 3.06Å; W110-S113 PolarHBondContact O-N 3.36Å; W110-L114 WeakPolarHBondContact O-CB 3.26Å; W110-L114 WeakPolarHBondContact O-CD1 3.4Å; W110-L114 VanDerWaalsContact O-CG 3.28Å; W110-L114 WeakPolarHBondContact O-CG 3.33Å; W110-L114 PolarHBondContact O-N 3.01Å
111M95.3Very high94.6Very high2 Ų250.8 Ų50.81%0.0124%0.237CC..Hα-helixtrans-64.5-39.2-179.7-64.3177.888.100111.5V76 F88 K107 V108 L114 W115 E135V76-M111 HydrophobicContact CG1-CB 4.3Å; V76-M111 HydrophobicContact CG1-CE 3.76Å; V76-M111 HydrophobicContact CG1-CG 4.02Å; F88-M111 HydrophobicContact CB-CE 3.84Å; F88-M111 HydrophobicContact CB-CG 4.35Å; F88-M111 HydrophobicContact CB-SD 3.91Å; F88-M111 HydrophobicContact CD1-CG 4.43Å; F88-M111 HydrophobicContact CD2-CG 4.07Å; F88-M111 HydrophobicContact CE2-CG 4.48Å; F88-M111 HydrophobicContact CG-CE 4.48Å; F88-M111 HydrophobicContact CG-CG 4.04Å; F88-M111 HydrophobicContact CG-SD 4.18Å; K107-M111 HydrophobicContact CD-SD 4.14Å; K107-M111 WeakPolarHBondContact CE-SD 3.32Å; K107-M111 HydrophobicContact CG-CG 4.28Å; K107-M111 HydrophobicContact CG-SD 3.58Å; K107-M111 VanDerWaalsContact CG-SD 3.58Å; K107-M111 WeakPolarHBondContact O-CG 3.44Å; K107-M111 PolarHBondContact O-N 2.9Å; V108-M111 PolarHBondContact O-N 3.4Å; M111-L114 PolarHBondContact O-N 3.16Å; M111-W115 WeakPolarHBondContact O-CB 3.22Å; M111-W115 PolarHBondContact O-N 3.03Å; M111-E135 HydrophobicContact CE-CB 4.34Å; M111-E135 HydrophobicContact CE-CG 3.34Å; M111-E135 WeakPolarHBondContact CE-OE1 3.38Å; M111-E135 WeakPolarHBondContact CE-OE2 3.23Å; M111-E135 HydrophobicContact SD-CG 4.32Å
112E93.7Very high94.4Very high22 Ų2252 Ų5210%0.10324%0.244CC..Hα-helixtrans-62.5-44.9173178.8172.4-147.800111.8V108 W110 L114 W115 R116 I139 T143V108-E112 VanDerWaalsContact O-CB 3.23Å; V108-E112 WeakPolarHBondContact O-CB 3.4Å; V108-E112 PolarHBondContact O-N 2.8Å; W110-E112 VanDerWaalsContact C-N 3.33Å; W110-E112 PolarHBondContact O-N 3.06Å; E112-L114 PolarHBondContact O-N 3.39Å; E112-W115 PolarHBondContact O-N 2.73Å; E112-R116 WeakPolarHBondContact O-CB 3.35Å; E112-R116 WeakPolarHBondContact O-CG 3.23Å; E112-R116 PolarHBondContact O-N 3.4Å; E112-R116 IonicContact OE1-CZ 3.86Å; E112-R116 VanDerWaalsContact OE1-CZ 3.27Å; E112-R116 IonicContact OE1-NE 3.41Å; E112-R116 IonicContact OE1-NH1 2.77Å; E112-R116 IonicContact OE1-NH2 2.61Å; E112-R116 PolarHBondContact OE1-NH2 3.45Å; E112-I139 HydrophobicContact CB-CG1 4.14Å; E112-I139 HydrophobicContact CB-CG2 4.31Å; E112-I139 HydrophobicContact CG-CG2 3.98Å; E112-T143 PolarHBondContact OE1-OG1 3.07Å
113S95.7Very high94Very high15 Ų1544.8 Ų44.811%0.10522%0.22CC..Hα-helixtrans-64.9-40.8178.5-590000111.9K24 E109 W110 R116 A117K24-S113 WeakPolarHBondContact CD-OG 3.35Å; E109-S113 WeakPolarHBondContact O-CB 3.34Å; E109-S113 PolarHBondContact O-N 3.5Å; E109-S113 PolarHBondContact O-OG 3.02Å; W110-S113 PolarHBondContact O-N 3.36Å; S113-R116 PolarHBondContact O-N 3.35Å; S113-A117 PolarHBondContact O-N 3.11Å
114L96.6Very high93.6Very high2 Ų245.6 Ų45.61%0.0123%0.226CC..Hα-helixtrans-64.1-47.1175.1-72.1162.3000111.3L45 L50 M74 V76 F88 V90 W110 M111 E112 R116 A117 I118L45-L114 HydrophobicContact CD1-CD2 3.81Å; L45-L114 HydrophobicContact CD2-CD2 3.97Å; L45-L114 HydrophobicContact CD2-CG 4.16Å; L45-L114 HydrophobicContact CG-CD2 4.48Å; L50-L114 HydrophobicContact CD2-CD2 4.29Å; M74-L114 HydrophobicContact SD-CD2 4.3Å; V76-L114 HydrophobicContact CG1-CD1 4.33Å; V76-L114 HydrophobicContact CG2-CB 3.72Å; V76-L114 HydrophobicContact CG2-CD1 4.17Å; V76-L114 HydrophobicContact CG2-CG 4.49Å; F88-L114 HydrophobicContact CE2-CD1 3.8Å; V90-L114 HydrophobicContact CG2-CD1 3.78Å; V90-L114 HydrophobicContact CG2-CD2 4.47Å; W110-L114 WeakPolarHBondContact O-CB 3.26Å; W110-L114 WeakPolarHBondContact O-CD1 3.4Å; W110-L114 VanDerWaalsContact O-CG 3.28Å; W110-L114 WeakPolarHBondContact O-CG 3.33Å; W110-L114 PolarHBondContact O-N 3.01Å; M111-L114 PolarHBondContact O-N 3.16Å; E112-L114 PolarHBondContact O-N 3.39Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 2.61Å; L114-A117 PolarHBondContact O-N 3.35Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.41Å; L114-I118 PolarHBondContact O-N 3.33Å
115W93.4Very high93.3Very high48 Ų4852.2 Ų52.218%0.18225%0.245CC..Hα-helixtrans-60.3-42.7175.6176.882000111.6M111 E112 A117 I118 S119 V131 I139M111-W115 WeakPolarHBondContact O-CB 3.22Å; M111-W115 PolarHBondContact O-N 3.03Å; E112-W115 PolarHBondContact O-N 2.73Å; W115-A117 PolarHBondContact O-N 2.92Å; W115-I118 PolarHBondContact O-N 2.83Å; W115-S119 WeakPolarHBondContact O-CB 3.44Å; W115-S119 PolarHBondContact O-N 2.92Å; W115-V131 HydrophobicContact CB-CG2 4.15Å; W115-V131 HydrophobicContact CG-CG2 4.22Å; W115-I139 HydrophobicContact CB-CD1 3.92Å; W115-I139 HydrophobicContact CD2-CG2 4.49Å; W115-I139 HydrophobicContact CE3-CG2 4.07Å; W115-I139 HydrophobicContact CG-CD1 4.26Å
116R92.7Very high93Very high98 Ų9850 Ų5037%0.3724%0.236SC..Hα-helixtrans-60-45.4175.8-78.3179.8178.2149.96.3111.7E112 S113 L114 S119 Q120 T143E112-R116 WeakPolarHBondContact O-CB 3.35Å; E112-R116 WeakPolarHBondContact O-CG 3.23Å; E112-R116 PolarHBondContact O-N 3.4Å; E112-R116 IonicContact OE1-CZ 3.86Å; E112-R116 VanDerWaalsContact OE1-CZ 3.27Å; E112-R116 IonicContact OE1-NE 3.41Å; E112-R116 IonicContact OE1-NH1 2.77Å; E112-R116 IonicContact OE1-NH2 2.61Å; E112-R116 PolarHBondContact OE1-NH2 3.45Å; S113-R116 PolarHBondContact O-N 3.35Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 2.61Å; R116-S119 PolarHBondContact O-N 3.22Å; R116-Q120 WeakPolarHBondContact O-CB 3.38Å; R116-Q120 VanDerWaalsContact O-CG 3.26Å; R116-Q120 WeakPolarHBondContact O-CG 3.48Å; R116-Q120 PolarHBondContact O-N 2.89Å; R116-T143 PolarHBondContact NH2-OG1 3.21Å
117A95.6Very high92.5Very high1 Ų147.8 Ų47.81%0.00823%0.226CC..Hα-helixtrans-60.1-47.6176.500000111.3I23 L45 V71 S113 L114 W115 Q120 F121I23-A117 HydrophobicContact CD1-CB 3.61Å; L45-A117 HydrophobicContact CD1-CB 4.22Å; L45-A117 HydrophobicContact CD2-CB 4.37Å; L45-A117 HydrophobicContact CG-CB 4.49Å; V71-A117 HydrophobicContact CG1-CB 4.16Å; V71-A117 WeakPolarHBondContact CG1-O 3.46Å; V71-A117 HydrophobicContact CG2-CB 4.21Å; S113-A117 PolarHBondContact O-N 3.11Å; L114-A117 PolarHBondContact O-N 3.35Å; W115-A117 PolarHBondContact O-N 2.92Å; A117-Q120 PolarHBondContact O-N 2.85Å; A117-F121 WeakPolarHBondContact O-CB 3.16Å; A117-F121 PolarHBondContact O-N 3.06Å; A117-F121 VanDerWaalsContact O-N 3.08Å
118I95.7Very high92.1Very high0 Ų049.6 Ų49.60%024%0.242CC..Hα-helixtrans-61.5-47.3177.3-64.7166.2000110.6V71 M74 V76 L114 W115 Q120 F121 T122 A127 R130V71-I118 HydrophobicContact CG1-CB 4.4Å; V71-I118 HydrophobicContact CG1-CG1 3.97Å; M74-I118 HydrophobicContact CB-CD1 3.8Å; M74-I118 HydrophobicContact CB-CG1 4.17Å; V76-I118 HydrophobicContact CG2-CD1 3.9Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.41Å; L114-I118 PolarHBondContact O-N 3.33Å; W115-I118 PolarHBondContact O-N 2.83Å; I118-Q120 PolarHBondContact O-N 3.3Å; I118-F121 PolarHBondContact O-N 3.11Å; I118-F121 VanDerWaalsContact O-N 3.1Å; I118-T122 HydrophobicContact CG2-CG2 4.5Å; I118-T122 PolarHBondContact O-N 3.28Å; I118-T122 PolarHBondContact O-OG1 3.37Å; I118-A127 HydrophobicContact CB-CB 4.4Å; I118-A127 HydrophobicContact CG2-CB 3.8Å; I118-R130 HydrophobicContact CG2-CB 4.23Å; I118-R130 HydrophobicContact CG2-CG 4.48Å
119S92.7Very high92Very high19 Ų1953.4 Ų53.413%0.13327%0.269CS..Hα-helixtrans-63-39.8-179.8-172.60000113W115 R116 F121 G123 P124 A127W115-S119 WeakPolarHBondContact O-CB 3.44Å; W115-S119 PolarHBondContact O-N 2.92Å; R116-S119 PolarHBondContact O-N 3.22Å; S119-F121 VanDerWaalsContact C-N 3.3Å; S119-F121 PolarHBondContact O-N 2.92Å; S119-G123 CarbonylContact O-C 3.49Å; S119-G123 WeakPolarHBondContact O-CA 3.39Å; S119-G123 PolarHBondContact O-N 3.05Å; S119-P124 WeakPolarHBondContact OG-CA 3.32Å; S119-A127 VanDerWaalsContact CA-CB 3.42Å
120Q92.2Very high91.7Very high134 Ų13451.1 Ų51.163%0.62626%0.257SS*.Hα-helixtrans-65.7-34.7173.1-73.6174.56.600111.9R116 A117 I118R116-Q120 WeakPolarHBondContact O-CB 3.38Å; R116-Q120 VanDerWaalsContact O-CG 3.26Å; R116-Q120 WeakPolarHBondContact O-CG 3.48Å; R116-Q120 PolarHBondContact O-N 2.89Å; A117-Q120 PolarHBondContact O-N 2.85Å; I118-Q120 PolarHBondContact O-N 3.3Å
121F93.5Very high91.2Very high114 Ų11451.4 Ų51.450%0.526%0.259SS..Hα-helixtrans-80.3-43.2-178.7-165.4-80000113.4V71 A117 I118 S119V71-F121 HydrophobicContact CG1-CB 3.89Å; V71-F121 HydrophobicContact CG1-CG 4.33Å; A117-F121 WeakPolarHBondContact O-CB 3.16Å; A117-F121 PolarHBondContact O-N 3.06Å; A117-F121 VanDerWaalsContact O-N 3.08Å; I118-F121 PolarHBondContact O-N 3.11Å; I118-F121 VanDerWaalsContact O-N 3.1Å; S119-F121 VanDerWaalsContact C-N 3.3Å; S119-F121 PolarHBondContact O-N 2.92Å
122T91.9Very high90.5Very high29 Ų2952.7 Ų52.718%0.17827%0.268CS..Hα-helixtrans-108.5-8.3-17266.60000114I118 A127I118-T122 HydrophobicContact CG2-CG2 4.5Å; I118-T122 PolarHBondContact O-N 3.28Å; I118-T122 PolarHBondContact O-OG1 3.37Å; T122-A127 PolarHBondContact OG1-N 3.31Å
123G89.6Confident89.7Confident25 Ų2561.4 Ų61.426%0.25830%0.301SS..  trans82.6160.3-167.700000113.2S119 R125 E126 A127S119-G123 CarbonylContact O-C 3.49Å; S119-G123 WeakPolarHBondContact O-CA 3.39Å; S119-G123 PolarHBondContact O-N 3.05Å; G123-R125 PolarHBondContact O-N 3.44Å; G123-E126 PolarHBondContact O-N 3.48Å; G123-A127 WeakPolarHBondContact O-CB 3.44Å; G123-A127 PolarHBondContact O-N 2.85Å
124P85.5Confident88.6Confident88 Ų8867 Ų6757%0.57132%0.323SS*.Hα-helixtrans-68.4-32.9-169.424.7-34.6000113.9S119 A128S119-P124 WeakPolarHBondContact OG-CA 3.32Å; P124-A128 WeakPolarHBondContact O-CB 3.36Å; P124-A128 PolarHBondContact O-N 3.32Å
125R86Confident87.3Confident232 Ų23267 Ų6788%0.87532%0.323SS*.Hα-helixtrans-65.6-43.7179.2-70.2-176.2-177.9178.61.1111.6G123G123-R125 PolarHBondContact O-N 3.44Å
126E87.8Confident86.3Confident90 Ų9066.5 Ų66.542%0.42132%0.323SS..Hα-helixtrans-75-36.3178.1-172.1174169.100111.4G123 A128 S129 R130G123-E126 PolarHBondContact O-N 3.48Å; E126-A128 VanDerWaalsContact C-N 3.28Å; E126-A128 PolarHBondContact O-N 3.21Å; E126-S129 PolarHBondContact O-N 2.97Å; E126-S129 VanDerWaalsContact O-N 3.16Å; E126-S129 PolarHBondContact O-OG 3.41Å; E126-R130 WeakPolarHBondContact O-CG 3.41Å; E126-R130 PolarHBondContact O-N 3.08Å; E126-R130 IonicContact OE1-CZ 3.61Å; E126-R130 IonicContact OE1-NE 2.8Å; E126-R130 PolarHBondContact OE1-NE 2.69Å; E126-R130 IonicContact OE1-NH2 3.57Å; E126-R130 PolarHBondContact OE1-NH2 2.87Å
127A86.1Confident85.4Confident0 Ų068.3 Ų68.30%033%0.334CS..Hα-helixtrans-63.5-33.8174.900000113.3I118 S119 T122 G123 S129 R130 V131I118-A127 HydrophobicContact CB-CB 4.4Å; I118-A127 HydrophobicContact CG2-CB 3.8Å; S119-A127 VanDerWaalsContact CA-CB 3.42Å; T122-A127 PolarHBondContact OG1-N 3.31Å; G123-A127 WeakPolarHBondContact O-CB 3.44Å; G123-A127 PolarHBondContact O-N 2.85Å; A127-S129 VanDerWaalsContact C-N 3.26Å; A127-S129 PolarHBondContact O-N 2.65Å; A127-R130 PolarHBondContact O-N 3.17Å; A127-R130 VanDerWaalsContact O-N 3.07Å; A127-V131 PolarHBondContact O-N 2.59Å
128A86.2Confident84.4Confident43 Ų4370.6 Ų70.636%0.35535%0.345SS..Hα-helixtrans-65-26.2175.700000113.5P124 E126 R130 I136P124-A128 WeakPolarHBondContact O-CB 3.36Å; P124-A128 PolarHBondContact O-N 3.32Å; E126-A128 VanDerWaalsContact C-N 3.28Å; E126-A128 PolarHBondContact O-N 3.21Å; A128-R130 VanDerWaalsContact C-N 3.28Å; A128-I136 HydrophobicContact CB-CD1 4.04Å; A128-I136 WeakPolarHBondContact O-CD1 3.16Å
129S89.7Confident83.2Confident86 Ų8670.8 Ų70.860%0.60135%0.346SS*.Hα-helixtrans-83.5-8.4173.870.10000113.1E126 A127E126-S129 PolarHBondContact O-N 2.97Å; E126-S129 VanDerWaalsContact O-N 3.16Å; E126-S129 PolarHBondContact O-OG 3.41Å; A127-S129 VanDerWaalsContact C-N 3.26Å; A127-S129 PolarHBondContact O-N 2.65Å
130R89.4Confident82.4Confident22 Ų2273.8 Ų73.88%0.08336%0.36CS..SBendtrans-100.3-3.9-177.1-68.1169.6173.1-132.75.8113.6V71 S72 F75 V76 I118 E126 A127 A128V71-R130 PolarHBondContact O-NH1 3.44Å; S72-R130 VanDerWaalsContact O-CZ 3.28Å; S72-R130 PolarHBondContact O-NH1 2.77Å; S72-R130 PolarHBondContact O-NH2 3.32Å; F75-R130 CarbonylContact C-O 3.57Å; F75-R130 WeakPolarHBondContact CA-O 3.07Å; F75-R130 HydrophobicContact CD1-CB 4.04Å; F75-R130 HydrophobicContact CD1-CG 4.01Å; F75-R130 HydrophobicContact CE1-CB 4.32Å; F75-R130 HydrophobicContact CE1-CG 3.8Å; F75-R130 HydrophobicContact CG-CB 4.49Å; F75-R130 HydrophobicContact CZ-CG 4.19Å; V76-R130 PolarHBondContact N-O 3.3Å; I118-R130 HydrophobicContact CG2-CB 4.23Å; I118-R130 HydrophobicContact CG2-CG 4.48Å; E126-R130 WeakPolarHBondContact O-CG 3.41Å; E126-R130 PolarHBondContact O-N 3.08Å; E126-R130 IonicContact OE1-CZ 3.61Å; E126-R130 IonicContact OE1-NE 2.8Å; E126-R130 PolarHBondContact OE1-NE 2.69Å; E126-R130 IonicContact OE1-NH2 3.57Å; E126-R130 PolarHBondContact OE1-NH2 2.87Å; A127-R130 PolarHBondContact O-N 3.17Å; A127-R130 VanDerWaalsContact O-N 3.07Å; A128-R130 VanDerWaalsContact C-N 3.28Å
131V86.6Confident81.8Confident9 Ų969.3 Ų69.36%0.05535%0.346CS..BIsolated β-bridgetrans-128.6146.6-177.6179.40000109.1V76 W115 A127 E135 I136 I139V76-V131 HydrophobicContact CB-CG2 4.03Å; V76-V131 HydrophobicContact CG2-CG2 4.28Å; V76-V131 WeakPolarHBondContact O-CA 3.32Å; W115-V131 HydrophobicContact CB-CG2 4.15Å; W115-V131 HydrophobicContact CG-CG2 4.22Å; A127-V131 PolarHBondContact O-N 2.59Å; V131-E135 HydrophobicContact CG1-CB 3.73Å; V131-E135 WeakPolarHBondContact CG1-OE2 3.34Å; V131-I136 HydrophobicContact CB-CG1 4.4Å; V131-I136 HydrophobicContact CG1-CG1 4.31Å; V131-I139 HydrophobicContact CG1-CD1 4.3Å
132S80Confident80.6Confident29 Ų2968.5 Ų68.520%0.20334%0.344CS..  trans-66.9150.1-177.8103.50000111V76 F134 E135 I136V76-S132 PolarHBondContact O-N 2.81Å; S132-F134 VanDerWaalsContact C-N 3.27Å; S132-F134 PolarHBondContact O-N 3.07Å; S132-E135 WeakPolarHBondContact CB-OE1 3.09Å; S132-E135 WeakPolarHBondContact CB-OE2 3.14Å; S132-E135 PolarHBondContact N-OE2 2.74Å; S132-E135 WeakPolarHBondContact O-CB 3.32Å; S132-E135 PolarHBondContact O-N 3.45Å; S132-E135 VanDerWaalsContact O-N 3.14Å; S132-E135 WeakPolarHBondContact OG-CG 3.34Å; S132-E135 PolarHBondContact OG-OE1 2.61Å; S132-E135 PolarHBondContact OG-OE2 2.95Å; S132-I136 PolarHBondContact O-N 2.79Å; S132-I136 VanDerWaalsContact O-N 3.07Å
133R76.2Confident79.4Confident206 Ų20668.9 Ų68.978%0.77735%0.346SS*.Hα-helixtrans-61.7-36.9-174.1-156.9-178-150.3-177.36.4112.4E135 I136 F137R133-E135 VanDerWaalsContact C-N 3.31Å; R133-I136 PolarHBondContact O-N 3.1Å; R133-F137 HydrophobicContact CG-CE2 4.24Å; R133-F137 WeakPolarHBondContact O-CD2 3.47Å; R133-F137 PolarHBondContact O-N 3.29Å
134F73.5Confident78.4Confident132 Ų13273 Ų7358%0.57936%0.362SS*.Hα-helixtrans-65.9-37.4178.9-171.1-102.9000111.4S132 F137 Q138S132-F134 VanDerWaalsContact C-N 3.27Å; S132-F134 PolarHBondContact O-N 3.07Å; F134-F137 WeakPolarHBondContact O-CB 3.37Å; F134-F137 PolarHBondContact O-N 3.27Å; F134-Q138 HydrophobicContact CD1-CG 4.45Å; F134-Q138 HydrophobicContact CE1-CG 4.25Å; F134-Q138 VanDerWaalsContact CE1-NE2 3.29Å; F134-Q138 PolarHBondContact O-N 2.91Å; F134-Q138 VanDerWaalsContact O-N 3.11Å
135E69.9Low77.3Confident1 Ų176.1 Ų76.11%0.00537%0.366CS..Hα-helixtrans-71.1-38.1178.2-65143.4-149.800112E78 M111 V131 S132 R133 F137 Q138 I139E78-E135 WeakPolarHBondContact CA-OE1 3.45Å; E78-E135 VanDerWaalsContact CB-OE1 3.32Å; E78-E135 WeakPolarHBondContact CB-OE1 3.45Å; E78-E135 PolarHBondContact N-OE1 2.75Å; M111-E135 HydrophobicContact CE-CB 4.34Å; M111-E135 HydrophobicContact CE-CG 3.34Å; M111-E135 WeakPolarHBondContact CE-OE1 3.38Å; M111-E135 WeakPolarHBondContact CE-OE2 3.23Å; M111-E135 HydrophobicContact SD-CG 4.32Å; V131-E135 HydrophobicContact CG1-CB 3.73Å; V131-E135 WeakPolarHBondContact CG1-OE2 3.34Å; S132-E135 WeakPolarHBondContact CB-OE1 3.09Å; S132-E135 WeakPolarHBondContact CB-OE2 3.14Å; S132-E135 PolarHBondContact N-OE2 2.74Å; S132-E135 WeakPolarHBondContact O-CB 3.32Å; S132-E135 PolarHBondContact O-N 3.45Å; S132-E135 VanDerWaalsContact O-N 3.14Å; S132-E135 WeakPolarHBondContact OG-CG 3.34Å; S132-E135 PolarHBondContact OG-OE1 2.61Å; S132-E135 PolarHBondContact OG-OE2 2.95Å; R133-E135 VanDerWaalsContact C-N 3.31Å; E135-F137 PolarHBondContact O-N 3.14Å; E135-Q138 PolarHBondContact O-N 2.8Å; E135-Q138 VanDerWaalsContact O-N 3.1Å; E135-I139 HydrophobicContact CB-CD1 4.41Å; E135-I139 WeakPolarHBondContact O-CB 3.41Å; E135-I139 VanDerWaalsContact O-CG1 3.23Å; E135-I139 WeakPolarHBondContact O-CG1 3.35Å; E135-I139 PolarHBondContact O-N 3.49Å
136I71.8Confident76.2Confident38 Ų3868.3 Ų68.320%0.19535%0.351CS..Hα-helixtrans-54.6-42.6173.3-67.7171000109.7A128 V131 S132 R133 L140A128-I136 HydrophobicContact CB-CD1 4.04Å; A128-I136 WeakPolarHBondContact O-CD1 3.16Å; V131-I136 HydrophobicContact CB-CG1 4.4Å; V131-I136 HydrophobicContact CG1-CG1 4.31Å; S132-I136 PolarHBondContact O-N 2.79Å; S132-I136 VanDerWaalsContact O-N 3.07Å; R133-I136 PolarHBondContact O-N 3.1Å; I136-L140 HydrophobicContact CG2-CD1 3.69Å; I136-L140 HydrophobicContact CG2-CG 4.24Å; I136-L140 VanDerWaalsContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CG 3.15Å; I136-L140 PolarHBondContact O-N 3.35Å
137F74.3Confident74.5Confident137 Ų13770.2 Ų70.260%0.60136%0.363SS*.Hα-helixtrans-65.4-45.1175.5-74.8-69.4000112.9R133 F134 E135 A141R133-F137 HydrophobicContact CG-CE2 4.24Å; R133-F137 WeakPolarHBondContact O-CD2 3.47Å; R133-F137 PolarHBondContact O-N 3.29Å; F134-F137 WeakPolarHBondContact O-CB 3.37Å; F134-F137 PolarHBondContact O-N 3.27Å; E135-F137 PolarHBondContact O-N 3.14Å; F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 2.94Å
138Q75Confident73Confident48 Ų4878.9 Ų78.922%0.22440%0.401CS..Hα-helixtrans-62.6-43.6177.8-73.1-173.7-25.300112.4F134 E135 A141 H142F134-Q138 HydrophobicContact CD1-CG 4.45Å; F134-Q138 HydrophobicContact CE1-CG 4.25Å; F134-Q138 VanDerWaalsContact CE1-NE2 3.29Å; F134-Q138 PolarHBondContact O-N 2.91Å; F134-Q138 VanDerWaalsContact O-N 3.11Å; E135-Q138 PolarHBondContact O-N 2.8Å; E135-Q138 VanDerWaalsContact O-N 3.1Å; Q138-A141 PolarHBondContact O-N 3.49Å; Q138-H142 WeakPolarHBondContact O-CB 3.21Å; Q138-H142 PolarHBondContact O-N 3.36Å
139I70.1Confident71.2Confident4 Ų490.6 Ų90.62%0.02144%0.435CS..Hα-helixtrans-63.9-48.6178.5-68.7166.2000110.4E112 W115 V131 E135 A141 H142 T143E112-I139 HydrophobicContact CB-CG1 4.14Å; E112-I139 HydrophobicContact CB-CG2 4.31Å; E112-I139 HydrophobicContact CG-CG2 3.98Å; W115-I139 HydrophobicContact CB-CD1 3.92Å; W115-I139 HydrophobicContact CD2-CG2 4.49Å; W115-I139 HydrophobicContact CE3-CG2 4.07Å; W115-I139 HydrophobicContact CG-CD1 4.26Å; V131-I139 HydrophobicContact CG1-CD1 4.3Å; E135-I139 HydrophobicContact CB-CD1 4.41Å; E135-I139 WeakPolarHBondContact O-CB 3.41Å; E135-I139 VanDerWaalsContact O-CG1 3.23Å; E135-I139 WeakPolarHBondContact O-CG1 3.35Å; E135-I139 PolarHBondContact O-N 3.49Å; I139-A141 VanDerWaalsContact C-N 3.35Å; I139-A141 PolarHBondContact O-N 3.04Å; I139-H142 PolarHBondContact O-N 2.94Å; I139-T143 WeakPolarHBondContact O-CB 3.45Å; I139-T143 PolarHBondContact O-N 3.49Å; I139-T143 PolarHBondContact O-OG1 3.24Å
140L75.9Confident70.3Confident82 Ų8290.8 Ų90.843%0.42943%0.427SS..Hα-helixtrans-64.2-39.9178.3-70.5175.5000111.8I136 T143 L144I136-L140 HydrophobicContact CG2-CD1 3.69Å; I136-L140 HydrophobicContact CG2-CG 4.24Å; I136-L140 VanDerWaalsContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CG 3.15Å; I136-L140 PolarHBondContact O-N 3.35Å; L140-T143 PolarHBondContact O-N 2.96Å; L140-L144 WeakPolarHBondContact O-CB 3.35Å; L140-L144 WeakPolarHBondContact O-CD1 3.16Å; L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.11Å
141A78.7Confident69.3Low40 Ų4094.4 Ų94.433%0.33145%0.445SS..Hα-helixtrans-61.7-48.9175.500000111.2F137 Q138 I139 T143 L144 F145F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 2.94Å; Q138-A141 PolarHBondContact O-N 3.49Å; I139-A141 VanDerWaalsContact C-N 3.35Å; I139-A141 PolarHBondContact O-N 3.04Å; A141-T143 PolarHBondContact O-N 3.49Å; A141-L144 PolarHBondContact O-N 3.49Å; A141-F145 WeakPolarHBondContact O-CD2 3.5Å; A141-F145 PolarHBondContact O-N 3.4Å
142H68.7Low68.4Low98 Ų9899.2 Ų99.245%0.45447%0.467SS..Hα-helixtrans-62.3-42.5177.8-97.5-100.8000112.9Q138 I139 F145 A146Q138-H142 WeakPolarHBondContact O-CB 3.21Å; Q138-H142 PolarHBondContact O-N 3.36Å; I139-H142 PolarHBondContact O-N 2.94Å; H142-F145 PolarHBondContact O-N 3.48Å; H142-A146 PolarHBondContact O-N 3.43Å
143T67.6Low67.7Low36 Ų36103.3 Ų103.322%0.22148%0.482CS..Hα-helixtrans-62.8-42.5175.4-66.50000111.4E112 R116 I139 L140 A141 F145 A146 I147E112-T143 PolarHBondContact OE1-OG1 3.07Å; R116-T143 PolarHBondContact NH2-OG1 3.21Å; I139-T143 WeakPolarHBondContact O-CB 3.45Å; I139-T143 PolarHBondContact O-N 3.49Å; I139-T143 PolarHBondContact O-OG1 3.24Å; L140-T143 PolarHBondContact O-N 2.96Å; A141-T143 PolarHBondContact O-N 3.49Å; T143-F145 PolarHBondContact O-N 3.11Å; T143-A146 PolarHBondContact O-N 2.93Å; T143-I147 HydrophobicContact CG2-CD1 4.15Å; T143-I147 WeakPolarHBondContact O-CG1 3.5Å; T143-I147 PolarHBondContact O-N 3.28Å
144L67.1Low67.1Low113 Ų11396.9 Ų96.959%0.59246%0.464SS*.Hα-helixtrans-64.6-37.7176.8-80.8163.6000112.8L140 A141 A146 I147L140-L144 WeakPolarHBondContact O-CB 3.35Å; L140-L144 WeakPolarHBondContact O-CD1 3.16Å; L140-L144 WeakPolarHBondContact O-CG 3.17Å; L140-L144 PolarHBondContact O-N 3.11Å; A141-L144 PolarHBondContact O-N 3.49Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-I147 PolarHBondContact O-N 3.5Å
145F63.8Low66.7Low153 Ų15394.5 Ų94.567%0.67146%0.456SS*.Hα-helixtrans-67.5-33.7174.4-85-69.6000112.5A141 H142 T143 K148A141-F145 WeakPolarHBondContact O-CD2 3.5Å; A141-F145 PolarHBondContact O-N 3.4Å; H142-F145 PolarHBondContact O-N 3.48Å; T143-F145 PolarHBondContact O-N 3.11Å; F145-K148 PolarHBondContact O-N 3.29Å
146A61.2Low66.5Low67 Ų67101.2 Ų101.255%0.55449%0.489SS*.Hα-helixtrans-70-31.5177.300000113.2H142 T143 L144 K148H142-A146 PolarHBondContact O-N 3.43Å; T143-A146 PolarHBondContact O-N 2.93Å; L144-A146 VanDerWaalsContact C-N 3.34Å; A146-K148 VanDerWaalsContact C-N 3.33Å
147I53.9Low66.1Low130 Ų130106.1 Ų106.167%0.66751%0.511SS*.Hα-helixtrans-75.6-21.3178.8-65.4166.6000112.3T143 L144 R149T143-I147 HydrophobicContact CG2-CD1 4.15Å; T143-I147 WeakPolarHBondContact O-CG1 3.5Å; T143-I147 PolarHBondContact O-N 3.28Å; L144-I147 PolarHBondContact O-N 3.5Å; I147-R149 VanDerWaalsContact C-N 3.33Å; I147-R149 PolarHBondContact O-N 2.88Å
148K54.4Low65.4Low183 Ų183103.5 Ų103.580%0.79650%0.504SS*.THydrogen-bonded Turntrans-86.16-179.9-79.7-170.8176.3-175.60114.7F145 A146F145-K148 PolarHBondContact O-N 3.29Å; A146-K148 VanDerWaalsContact C-N 3.33Å
149R48.7Very low64.5Low288 Ų288108.5 Ų108.5100%1.08753%0.529SS*.  trans-115.30174.6-70.5-172.3178.1-168-0.5110.1I147I147-R149 VanDerWaalsContact C-N 3.33Å; I147-R149 PolarHBondContact O-N 2.88Å

Retrieved 149 of 149 residues in 239.5 ms (Link to these results)

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