A0A096MBY4_POEFO Loading...

Large ribosomal subunit protein eL22

AlphaFold DB (A0A3B3U6D9), UniProt , Accession A0A096MBY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 129 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
1M49.1Very low50.9Low251 Ų251159.2 Ų159.2100%1.23688%0.882SS**  0103.90-154.8145.8158.900107.3
2A46.7Very low50.9Low92 Ų92151.9 Ų151.976%0.7687%0.871SS**PPolyproline II helixtrans-91.8141.1-171.900000111.1
3P57.1Low50.7Low128 Ų128156.2 Ų156.283%0.83187%0.873SS**PPolyproline II helixtrans-80.2126.9179.231.1-31000110.8K5P3-K5 PolarHBondContact O-N 3.42Å
4V50.8Low51Low140 Ų140159.7 Ų159.785%0.84888%0.875SS**PPolyproline II helixtrans-73.9117.7177177.40000109.5Q6V4-Q6 PolarHBondContact O-N 3.2Å
5K52.2Low51.5Low205 Ų205156 Ų15689%0.89187%0.865SS**  trans-68.9108.1173.6-103.3178175.6175.40110.4P3 K7P3-K5 PolarHBondContact O-N 3.42Å; K5-K7 PolarHBondContact O-N 3.18Å
6Q52.3Low51.8Low188 Ų188161.8 Ų161.888%0.87987%0.869SS**  trans-67.9111.3171.2-126.1171.9-25.400110.1V4 R8V4-Q6 PolarHBondContact O-N 3.2Å; Q6-R8 PolarHBondContact O-N 3.31Å
7K48.1Very low52.5Low209 Ų209163.9 Ų163.991%0.90987%0.869SS**  trans-69.1109.7168.1-83.9-176.9175.4177.70108.6K5 A9K5-K7 PolarHBondContact O-N 3.18Å; K7-A9 PolarHBondContact O-N 3.21Å
8R49.2Very low53.4Low244 Ų244158.8 Ų158.892%0.92185%0.853SS**PPolyproline II helixtrans-64.7119.9167.1-72.6-177.8167.5-170-4.1108.6Q6 A10Q6-R8 PolarHBondContact O-N 3.31Å; R8-A10 PolarHBondContact O-N 3.12Å
9A48.7Very low54.4Low99 Ų99155.5 Ų155.582%0.81884%0.841SS**PPolyproline II helixtrans-58.5123.2170.800000108.9K7 A11K7-A9 PolarHBondContact O-N 3.21Å; A9-A11 PolarHBondContact O-N 3.27Å
10A52.8Low56.1Low97 Ų97150.8 Ų150.880%0.80282%0.82SS**PPolyproline II helixtrans-60120.1174.400000108.6R8 G12R8-A10 PolarHBondContact O-N 3.12Å; A10-G12 PolarHBondContact O-N 3.11Å
11A53.2Low57.9Low98 Ų98147.5 Ų147.581%0.8180%0.796SS**PPolyproline II helixtrans-51.2116.9171.900000108.8A9 K13A9-A11 PolarHBondContact O-N 3.27Å; A11-K13 PolarHBondContact O-N 3.27Å; A11-K13 VanDerWaalsContact O-N 3.12Å
12G50.1Low60.2Low72 Ų72141 Ų14174%0.74276%0.761SS**PPolyproline II helixtrans-53119.8-178.800000110.2A10 K14A10-G12 PolarHBondContact O-N 3.11Å; G12-K14 PolarHBondContact O-N 2.89Å
13K49.4Very low62.6Low208 Ų208137.6 Ų137.690%0.90473%0.729SS**  trans-53.9104.9164.9-95.1175.2174173.50106.9A11 S15A11-K13 PolarHBondContact O-N 3.27Å; A11-K13 VanDerWaalsContact O-N 3.12Å; K13-S15 VanDerWaalsContact C-N 3.34Å; K13-S15 PolarHBondContact O-N 2.92Å
14K55Low64.6Low205 Ų205133.1 Ų133.189%0.89170%0.7SS**  trans-55.9105.4161.4-83-179177.7175.20105.8G12 R16G12-K14 PolarHBondContact O-N 2.89Å; K14-R16 PolarHBondContact O-N 3.07Å; K14-R16 VanDerWaalsContact O-N 3.11Å
15S58Low66.8Low104 Ų104126.5 Ų126.573%0.72766%0.659SS**  trans-52.7120.5170.344.70000106.9K13 K17K13-S15 VanDerWaalsContact C-N 3.34Å; K13-S15 PolarHBondContact O-N 2.92Å; S15-K17 PolarHBondContact O-N 2.9Å
16R56.4Low69Low249 Ų249118 Ų11894%0.9462%0.623SS**  trans-57.4109.7172.2-77.9-179.6176.1169.2-1.9105.9K14 A18K14-R16 PolarHBondContact O-N 3.07Å; K14-R16 VanDerWaalsContact O-N 3.11Å; R16-A18 PolarHBondContact O-N 2.59Å
17K63.7Low71.1Confident198 Ų198109 Ų10986%0.86158%0.582SS**PPolyproline II helixtrans-52.6128.8173.5-75.5-174.4176.8-175.90107.1S15S15-K17 PolarHBondContact O-N 2.9Å
18A69.2Low73.3Confident71 Ų71100.5 Ų100.559%0.58755%0.547SS*.PPolyproline II helixtrans-51.6145.6175.600000109.7R16 S20R16-A18 PolarHBondContact O-N 2.59Å; A18-S20 PolarHBondContact O-N 3.27Å; A18-S20 VanDerWaalsContact O-N 3.14Å
19P72.1Confident75.4Confident96 Ų9692.9 Ų92.962%0.62352%0.522SS*.PPolyproline II helixtrans-55.8124.217622.9-31.7000109.2W21P19-W21 HydrophobicContact CG-CH2 4.29Å; P19-W21 VanDerWaalsContact O-CZ3 3.28Å; P19-W21 WeakPolarHBondContact O-CZ3 3.28Å
20S87.5Confident77.6Confident61 Ų6188.2 Ų88.243%0.42748%0.483SS..  trans-108.6124.9176.765.90000109A18 K22 S75A18-S20 PolarHBondContact O-N 3.27Å; A18-S20 VanDerWaalsContact O-N 3.14Å; S20-K22 WeakPolarHBondContact OG-CE 3.29Å; S20-S75 CarbonylContact C-O 3.56Å; S20-S75 WeakPolarHBondContact CA-O 3.03Å
21W94.9Very high79.6Confident82 Ų8284.9 Ų84.931%0.31145%0.453SS..EExtended strand (participates in β ladder)trans-85.2123.1174-67.3-93.6000109.2P19 F23 T74 S75 E76 K77 Q78 F79P19-W21 HydrophobicContact CG-CH2 4.29Å; P19-W21 VanDerWaalsContact O-CZ3 3.28Å; P19-W21 WeakPolarHBondContact O-CZ3 3.28Å; W21-F23 HydrophobicContact CB-CE2 3.93Å; W21-F23 HydrophobicContact CB-CZ 4.42Å; W21-T74 CarbonylContact O-C 3.59Å; W21-T74 WeakPolarHBondContact O-CA 3.27Å; W21-S75 PolarHBondContact N-O 3.15Å; W21-S75 PolarHBondContact O-N 3.32Å; W21-E76 WeakPolarHBondContact CZ3-O 3.32Å; W21-K77 VanDerWaalsContact CZ3-O 3.32Å; W21-K77 WeakPolarHBondContact CZ3-O 3.37Å; W21-Q78 HydrophobicContact CH2-CB 4.14Å; W21-Q78 HydrophobicContact CZ2-CB 3.96Å; W21-Q78 HydrophobicContact CZ2-CG 4.16Å; W21-Q78 VanDerWaalsContact CZ3-N 3.31Å; W21-F79 HydrophobicContact CB-CB 4.19Å
22K96.1Very high81.6Confident114 Ų11486.3 Ų86.350%0.49644%0.443SS..EExtended strand (participates in β ladder)trans-123.5128.8-179.5-64.3-179.9-177.5179.10109S20 V73 T74S20-K22 WeakPolarHBondContact OG-CE 3.29Å; K22-V73 WeakPolarHBondContact CA-O 3.34Å; K22-T74 HydrophobicContact CG-CG2 3.99Å
23F97.9Very high83.6Confident22 Ų2287.6 Ų87.610%0.09643%0.432CS..EExtended strand (participates in β ladder)trans-136146175.7-58.3-65.4000109.8W21 V73 F79 K81 L84 E109W21-F23 HydrophobicContact CB-CE2 3.93Å; W21-F23 HydrophobicContact CB-CZ 4.42Å; F23-V73 PolarHBondContact N-O 3.14Å; F23-V73 PolarHBondContact O-N 3.24Å; F23-F79 AromaticContact CD2-CD1 3.62Å; F23-F79 HydrophobicContact CD2-CD1 3.62Å; F23-F79 HydrophobicContact CD2-CE1 4.07Å; F23-F79 AromaticContact CE2-CD1 3.75Å; F23-F79 HydrophobicContact CE2-CD1 3.75Å; F23-F79 VanDerWaalsContact CE2-O 3.27Å; F23-F79 WeakPolarHBondContact CE2-O 3.29Å; F23-K81 HydrophobicContact CD1-CB 3.74Å; F23-K81 HydrophobicContact CD1-CD 4.08Å; F23-K81 HydrophobicContact CD1-CG 3.97Å; F23-K81 HydrophobicContact CE1-CB 3.57Å; F23-K81 HydrophobicContact CE1-CD 4.32Å; F23-K81 HydrophobicContact CE1-CG 4.24Å; F23-K81 HydrophobicContact CE2-CB 4.44Å; F23-K81 HydrophobicContact CG-CB 4.28Å; F23-K81 HydrophobicContact CZ-CB 3.93Å; F23-L84 HydrophobicContact CB-CD2 3.85Å; F23-E109 WeakPolarHBondContact CA-O 3.18Å; F23-E109 HydrophobicContact CD1-CB 4.3Å; F23-E109 WeakPolarHBondContact CD1-O 3.31Å
24T97.9Very high85.7Confident34 Ų3480.8 Ų80.821%0.20942%0.421CS..EExtended strand (participates in β ladder)trans-121140.2178.8-63.80000109.9K70 I71 N72 E109 T110 Y111T24-K70 HydrophobicContact CG2-CB 4.36Å; T24-K70 HydrophobicContact CG2-CD 4.32Å; T24-I71 CarbonylContact C-O 3.44Å; T24-I71 WeakPolarHBondContact CA-O 3.29Å; T24-N72 WeakPolarHBondContact CG2-OD1 3.47Å; T24-N72 PolarHBondContact OG1-OD1 2.88Å; T24-E109 PolarHBondContact N-O 3.18Å; T24-E109 VanDerWaalsContact N-O 3.13Å; T24-T110 HydrophobicContact CG2-CG2 4.38Å; T24-T110 CarbonylContact O-C 3.56Å; T24-T110 WeakPolarHBondContact O-CA 3.18Å; T24-Y111 PolarHBondContact O-N 3.31Å
25L98.1Very high87.5Confident0 Ų074 Ų740%039%0.394CS..EExtended strand (participates in β ladder)trans-112.7117.4168.6-88.8163.4000108.3L27 F41 K70 I71 L84 T88 Y111L25-L27 HydrophobicContact CB-CD2 4.29Å; L25-F41 HydrophobicContact CD1-CE1 3.76Å; L25-F41 HydrophobicContact CD1-CZ 3.85Å; L25-K70 CarbonylContact O-C 3.53Å; L25-K70 VanDerWaalsContact O-CA 3.31Å; L25-K70 WeakPolarHBondContact O-CA 3.36Å; L25-I71 HydrophobicContact CB-CB 4.3Å; L25-I71 PolarHBondContact N-O 3.18Å; L25-I71 PolarHBondContact O-N 2.91Å; L25-L84 HydrophobicContact CD1-CD1 3.65Å; L25-L84 HydrophobicContact CD1-CD2 3.78Å; L25-L84 HydrophobicContact CD1-CG 3.59Å; L25-L84 HydrophobicContact CG-CD2 3.9Å; L25-L84 HydrophobicContact CG-CG 4.13Å; L25-T88 WeakPolarHBondContact CD1-OG1 3.4Å; L25-T88 HydrophobicContact CD2-CG2 4.28Å; L25-Y111 CarbonylContact C-O 3.5Å; L25-Y111 WeakPolarHBondContact CA-O 3.1Å; L25-Y111 VanDerWaalsContact CD2-CB 3.49Å; L25-Y111 HydrophobicContact CD2-CD2 4.47Å; L25-Y111 HydrophobicContact CD2-CG 4.41Å
26D97.6Very high89.2Confident26 Ų2669.4 Ų69.414%0.13936%0.361CS..EExtended strand (participates in β ladder)trans-87.1119.1170.7-155.4-34.1000109.7T28 K70 Y111 E112 L113D26-T28 VanDerWaalsContact OD1-CB 3.26Å; D26-T28 WeakPolarHBondContact OD1-CB 3.32Å; D26-T28 PolarHBondContact OD1-N 2.78Å; D26-T28 PolarHBondContact OD1-OG1 3.44Å; D26-K70 WeakPolarHBondContact OD2-CE 3.42Å; D26-K70 IonicContact OD2-NZ 2.84Å; D26-K70 PolarHBondContact OD2-NZ 2.96Å; D26-Y111 PolarHBondContact N-O 2.98Å; D26-E112 HydrophobicContact CB-CB 4.36Å; D26-E112 HydrophobicContact CB-CG 4.25Å; D26-E112 WeakPolarHBondContact O-CA 3.41Å; D26-L113 PolarHBondContact O-N 3.39Å
27L96.3Very high91Very high0 Ų061.5 Ų61.50%034%0.338CS..  trans-11716.1-178.6-46173.9000110.7L25 H29 P30 V31 L36 F41 N69 I71 L113L25-L27 HydrophobicContact CB-CD2 4.29Å; L27-H29 PolarHBondContact O-N 3.24Å; L27-P30 HydrophobicContact CB-CG 4.49Å; L27-P30 WeakPolarHBondContact O-CD 3.32Å; L27-P30 WeakPolarHBondContact O-CG 3.44Å; L27-V31 HydrophobicContact CB-CG2 3.73Å; L27-V31 VanDerWaalsContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CB 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 3.36Å; L27-L36 HydrophobicContact CB-CD2 4.44Å; L27-L36 HydrophobicContact CD1-CD2 3.96Å; L27-F41 HydrophobicContact CD1-CD1 3.58Å; L27-F41 HydrophobicContact CD1-CE1 4.04Å; L27-F41 HydrophobicContact CD1-CG 4.49Å; L27-F41 HydrophobicContact CD2-CD1 4.49Å; L27-F41 HydrophobicContact CD2-CE1 4.27Å; L27-N69 CarbonylContact C-O 3.59Å; L27-N69 VanDerWaalsContact CA-O 3.31Å; L27-N69 WeakPolarHBondContact CA-O 3.16Å; L27-N69 VanDerWaalsContact CB-O 3.29Å; L27-N69 WeakPolarHBondContact CB-O 3.31Å; L27-N69 PolarHBondContact N-O 3.36Å; L27-I71 HydrophobicContact CD1-CG1 3.74Å; L27-L113 HydrophobicContact CD2-CD1 3.42Å; L27-L113 VanDerWaalsContact CD2-CD1 3.42Å; L27-L113 HydrophobicContact CD2-CG 3.79Å
28T95.6Very high92.5Very high31 Ų3152.4 Ų52.419%0.1930%0.299CS..Hα-helixtrans-51.1-57.8-171.1-61.80000112.7D26 V31 E32 N69D26-T28 VanDerWaalsContact OD1-CB 3.26Å; D26-T28 WeakPolarHBondContact OD1-CB 3.32Å; D26-T28 PolarHBondContact OD1-N 2.78Å; D26-T28 PolarHBondContact OD1-OG1 3.44Å; T28-V31 PolarHBondContact O-N 3.45Å; T28-E32 HydrophobicContact CG2-CG 4.38Å; T28-E32 WeakPolarHBondContact CG2-OE1 3.33Å; T28-E32 WeakPolarHBondContact O-CB 3.48Å; T28-E32 WeakPolarHBondContact O-CG 3.28Å; T28-E32 PolarHBondContact O-N 3.43Å; T28-N69 PolarHBondContact N-O 3.5Å
29H93Very high93.8Very high84 Ų8450.4 Ų50.439%0.38928%0.283SS..Hα-helixtrans-54.6-58-178.4-58.9-58.5000113.8L27 V31 E32 D33 E112 Y115L27-H29 PolarHBondContact O-N 3.24Å; H29-V31 VanDerWaalsContact C-N 3.3Å; H29-V31 PolarHBondContact O-N 3.12Å; H29-E32 PolarHBondContact O-N 2.83Å; H29-D33 VanDerWaalsContact O-CG 3.27Å; H29-D33 PolarHBondContact O-N 2.89Å; H29-D33 VanDerWaalsContact O-N 3.08Å; H29-E112 IonicContact CD2-OE1 2.65Å; H29-E112 IonicContact NE2-OE1 2.8Å; H29-Y115 HydrophobicContact CB-CE2 4.02Å
30P95.1Very high94.9Very high0 Ų049.4 Ų49.40%027%0.272CS..Hα-helixtrans-70.7-22.7-176.929.2-38.3000114.4L27 G34 I35 L36 L101 L113L27-P30 HydrophobicContact CB-CG 4.49Å; L27-P30 WeakPolarHBondContact O-CD 3.32Å; L27-P30 WeakPolarHBondContact O-CG 3.44Å; P30-G34 PolarHBondContact O-N 2.73Å; P30-I35 HydrophobicContact CB-CD1 3.69Å; P30-I35 HydrophobicContact CB-CG1 3.57Å; P30-I35 WeakPolarHBondContact O-CG1 3.43Å; P30-I35 PolarHBondContact O-N 3.13Å; P30-I35 VanDerWaalsContact O-N 3.09Å; P30-L36 HydrophobicContact CB-CB 3.85Å; P30-L36 HydrophobicContact CG-CB 4.4Å; P30-L36 PolarHBondContact O-N 2.9Å; P30-L101 HydrophobicContact CB-CD1 3.68Å; P30-L101 HydrophobicContact CB-CD2 4.22Å; P30-L101 HydrophobicContact CG-CD1 4.19Å; P30-L113 HydrophobicContact CG-CB 3.97Å; P30-L113 HydrophobicContact CG-CD1 3.79Å
31V94.9Very high95.3Very high28 Ų2846.6 Ų46.617%0.1725%0.252CS..Hα-helixtrans-76.5-40.5175.4171.80000110.8L27 T28 H29 G34 L36L27-V31 HydrophobicContact CB-CG2 3.73Å; L27-V31 VanDerWaalsContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CB 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.35Å; L27-V31 PolarHBondContact O-N 3.36Å; T28-V31 PolarHBondContact O-N 3.45Å; H29-V31 VanDerWaalsContact C-N 3.3Å; H29-V31 PolarHBondContact O-N 3.12Å; V31-G34 PolarHBondContact O-N 2.92Å; V31-L36 HydrophobicContact CG2-CD2 3.82Å; V31-L36 WeakPolarHBondContact CG2-O 3.37Å
32E94.3Very high95.4Very high127 Ų12744 Ų4459%0.59324%0.243SC*.Hα-helixtrans-68.7-36.8178.2-72.6177.9176.900112.2T28 H29 G34 N69T28-E32 HydrophobicContact CG2-CG 4.38Å; T28-E32 WeakPolarHBondContact CG2-OE1 3.33Å; T28-E32 WeakPolarHBondContact O-CB 3.48Å; T28-E32 WeakPolarHBondContact O-CG 3.28Å; T28-E32 PolarHBondContact O-N 3.43Å; H29-E32 PolarHBondContact O-N 2.83Å; E32-G34 PolarHBondContact O-N 3.04Å; E32-N69 PolarHBondContact OE1-ND2 3.23Å
33D93Very high95.4Very high99 Ų9941.8 Ų41.853%0.52924%0.24SC..THydrogen-bonded Turntrans-76.3-2.4175.4-61.3-26000113.2H29 I35 Y115H29-D33 VanDerWaalsContact O-CG 3.27Å; H29-D33 PolarHBondContact O-N 2.89Å; H29-D33 VanDerWaalsContact O-N 3.08Å; D33-I35 VanDerWaalsContact C-N 3.25Å; D33-I35 PolarHBondContact O-N 2.79Å; D33-Y115 WeakPolarHBondContact OD2-CE2 3.48Å; D33-Y115 PolarHBondContact OD2-OH 3.27Å
34G92.2Very high95.4Very high65 Ų6541.3 Ų41.367%0.6724%0.238SC*.THydrogen-bonded Turntrans74.26.117700000115.5P30 V31 E32P30-G34 PolarHBondContact O-N 2.73Å; V31-G34 PolarHBondContact O-N 2.92Å; E32-G34 PolarHBondContact O-N 3.04Å
35I93.1Very high95.4Very high62 Ų6239.7 Ų39.732%0.31823%0.228SC..SBendtrans-82.7-19.2-178.362.8165.8000113.5P30 D33 L101 Y115P30-I35 HydrophobicContact CB-CD1 3.69Å; P30-I35 HydrophobicContact CB-CG1 3.57Å; P30-I35 WeakPolarHBondContact O-CG1 3.43Å; P30-I35 PolarHBondContact O-N 3.13Å; P30-I35 VanDerWaalsContact O-N 3.09Å; D33-I35 VanDerWaalsContact C-N 3.25Å; D33-I35 PolarHBondContact O-N 2.79Å; I35-L101 HydrophobicContact CD1-CD1 3.86Å; I35-L101 HydrophobicContact CD1-CD2 4.25Å; I35-L101 HydrophobicContact CD1-CG 4.23Å; I35-Y115 HydrophobicContact CD1-CE1 4.01Å; I35-Y115 VanDerWaalsContact CD1-OH 3.24Å; I35-Y115 WeakPolarHBondContact CD1-OH 3.45Å
36L93.9Very high95.3Very high8 Ų843.8 Ų43.84%0.04225%0.246CC..  trans-131.7126.7179.4-173.2149.3000111.1L27 P30 V31 F41 Y91 L92 L97 L113L27-L36 HydrophobicContact CB-CD2 4.44Å; L27-L36 HydrophobicContact CD1-CD2 3.96Å; P30-L36 HydrophobicContact CB-CB 3.85Å; P30-L36 HydrophobicContact CG-CB 4.4Å; P30-L36 PolarHBondContact O-N 2.9Å; V31-L36 HydrophobicContact CG2-CD2 3.82Å; V31-L36 WeakPolarHBondContact CG2-O 3.37Å; L36-F41 HydrophobicContact CD2-CB 4.33Å; L36-Y91 HydrophobicContact CD1-CD1 4.47Å; L36-Y91 HydrophobicContact CD1-CE1 4.02Å; L36-Y91 HydrophobicContact CG-CE1 4.24Å; L36-L92 HydrophobicContact CD1-CD2 4.32Å; L36-L97 HydrophobicContact CD1-CD1 4.34Å; L36-L113 HydrophobicContact CD1-CD1 3.83Å
37D94.6Very high95.3Very high83 Ų8348.1 Ų48.144%0.44427%0.265SS..  trans-90117.8170.7172.924.9000111.2A39 N40 F41D37-A39 VanDerWaalsContact C-N 3.27Å; D37-A39 PolarHBondContact O-N 2.82Å; D37-A39 VanDerWaalsContact OD1-CB 3.32Å; D37-A39 WeakPolarHBondContact OD1-CB 3.33Å; D37-A39 PolarHBondContact OD1-N 3.2Å; D37-N40 HydrophobicContact CB-CB 4.07Å; D37-N40 PolarHBondContact O-N 3.05Å; D37-N40 VanDerWaalsContact OD2-CB 3.26Å; D37-N40 WeakPolarHBondContact OD2-CB 3.46Å; D37-N40 PolarHBondContact OD2-N 3.28Å; D37-F41 PolarHBondContact O-N 3.32Å
38S95.1Very high95.3Very high8 Ų852.2 Ų52.26%0.05628%0.28CS..Hα-helixtrans-67.7-25.9178.864.60000113.2E42 K68S38-E42 WeakPolarHBondContact O-CB 3.45Å; S38-E42 PolarHBondContact O-N 3.03Å; S38-K68 WeakPolarHBondContact CB-O 3.17Å; S38-K68 PolarHBondContact OG-O 3.28Å
39A95.8Very high95.4Very high28 Ų2850.7 Ų50.723%0.23127%0.271CS..Hα-helixtrans-67.9-52.1175.300000111.1D37 F41 E42 T43D37-A39 VanDerWaalsContact C-N 3.27Å; D37-A39 PolarHBondContact O-N 2.82Å; D37-A39 VanDerWaalsContact OD1-CB 3.32Å; D37-A39 WeakPolarHBondContact OD1-CB 3.33Å; D37-A39 PolarHBondContact OD1-N 3.2Å; A39-F41 VanDerWaalsContact C-N 3.29Å; A39-F41 PolarHBondContact O-N 3.48Å; A39-E42 WeakPolarHBondContact O-CB 3.43Å; A39-E42 PolarHBondContact O-N 3.04Å; A39-T43 PolarHBondContact O-N 3.24Å; A39-T43 VanDerWaalsContact O-N 3.07Å; A39-T43 PolarHBondContact O-OG1 3.45Å
40N95.9Very high95.5Very high76 Ų7651.8 Ų51.841%0.40628%0.275SS..Hα-helixtrans-58-43.1175.8-178.28.4000111.4D37 E42 T43 F44 Y91D37-N40 HydrophobicContact CB-CB 4.07Å; D37-N40 PolarHBondContact O-N 3.05Å; D37-N40 VanDerWaalsContact OD2-CB 3.26Å; D37-N40 WeakPolarHBondContact OD2-CB 3.46Å; D37-N40 PolarHBondContact OD2-N 3.28Å; N40-E42 PolarHBondContact O-N 3.05Å; N40-T43 PolarHBondContact O-N 3.2Å; N40-F44 PolarHBondContact O-N 3.23Å; N40-Y91 PolarHBondContact ND2-OH 3.48Å
41F97.1Very high95.4Very high1 Ų152.2 Ų52.20%0.00428%0.277CS..Hα-helixtrans-64.8-38.4177.6-176.8-116.2000113.2L25 L27 L36 D37 A39 F44 L45 I71 T88 Y91L25-F41 HydrophobicContact CD1-CE1 3.76Å; L25-F41 HydrophobicContact CD1-CZ 3.85Å; L27-F41 HydrophobicContact CD1-CD1 3.58Å; L27-F41 HydrophobicContact CD1-CE1 4.04Å; L27-F41 HydrophobicContact CD1-CG 4.49Å; L27-F41 HydrophobicContact CD2-CD1 4.49Å; L27-F41 HydrophobicContact CD2-CE1 4.27Å; L36-F41 HydrophobicContact CD2-CB 4.33Å; D37-F41 PolarHBondContact O-N 3.32Å; A39-F41 VanDerWaalsContact C-N 3.29Å; A39-F41 PolarHBondContact O-N 3.48Å; F41-F44 HydrophobicContact CD2-CD1 4.38Å; F41-F44 HydrophobicContact CE2-CD1 4.32Å; F41-F44 PolarHBondContact O-N 3.31Å; F41-L45 HydrophobicContact CD1-CD1 4.14Å; F41-L45 HydrophobicContact CE1-CD1 3.59Å; F41-L45 HydrophobicContact CE1-CG 4.21Å; F41-L45 HydrophobicContact CE2-CD1 4.43Å; F41-L45 HydrophobicContact CE2-CD2 4.3Å; F41-L45 HydrophobicContact CE2-CG 4.18Å; F41-L45 HydrophobicContact CZ-CD1 3.75Å; F41-L45 HydrophobicContact CZ-CD2 4.08Å; F41-L45 HydrophobicContact CZ-CG 3.96Å; F41-L45 WeakPolarHBondContact O-CG 3.4Å; F41-L45 PolarHBondContact O-N 3.02Å; F41-I71 HydrophobicContact CD1-CG1 3.91Å; F41-I71 HydrophobicContact CE1-CG1 4.2Å; F41-T88 HydrophobicContact CE2-CG2 4.3Å; F41-T88 HydrophobicContact CZ-CG2 3.92Å; F41-Y91 HydrophobicContact CB-CE1 4.19Å; F41-Y91 HydrophobicContact CB-CE2 4.44Å; F41-Y91 AromaticContact CD2-CD1 3.48Å; F41-Y91 HydrophobicContact CD2-CD1 3.48Å; F41-Y91 VanDerWaalsContact CD2-CD1 3.48Å; F41-Y91 AromaticContact CD2-CD2 3.82Å; F41-Y91 HydrophobicContact CD2-CD2 3.82Å; F41-Y91 AromaticContact CD2-CE1 3.82Å; F41-Y91 HydrophobicContact CD2-CE1 3.82Å; F41-Y91 HydrophobicContact CD2-CE2 4.13Å; F41-Y91 AromaticContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CD2-CG 3.47Å; F41-Y91 VanDerWaalsContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CE2-CD1 4Å; F41-Y91 HydrophobicContact CE2-CD2 4.48Å; F41-Y91 AromaticContact CE2-CG 3.85Å; F41-Y91 HydrophobicContact CE2-CG 3.85Å; F41-Y91 HydrophobicContact CG-CD1 4.4Å; F41-Y91 HydrophobicContact CG-CE1 4.36Å
42E96.6Very high95.1Very high27 Ų2757.2 Ų57.213%0.12630%0.303CS..Hα-helixtrans-58.8-47.7172.8-171.1-165.6160.800111.6S38 A39 N40 L45 K46 V64 R66 I71S38-E42 WeakPolarHBondContact O-CB 3.45Å; S38-E42 PolarHBondContact O-N 3.03Å; A39-E42 WeakPolarHBondContact O-CB 3.43Å; A39-E42 PolarHBondContact O-N 3.04Å; N40-E42 PolarHBondContact O-N 3.05Å; E42-L45 PolarHBondContact O-N 3.3Å; E42-K46 HydrophobicContact CG-CD 4.48Å; E42-K46 PolarHBondContact O-N 2.88Å; E42-K46 WeakPolarHBondContact OE1-CE 3.5Å; E42-K46 IonicContact OE1-NZ 3.68Å; E42-K46 PolarHBondContact OE1-NZ 2.83Å; E42-V64 HydrophobicContact CG-CG1 3.96Å; E42-R66 HydrophobicContact CG-CB 4.34Å; E42-R66 WeakPolarHBondContact OE2-CB 3.45Å; E42-R66 IonicContact OE2-NE 3.92Å; E42-I71 HydrophobicContact CB-CD1 4.04Å; E42-I71 HydrophobicContact CG-CD1 4.41Å
43T96.5Very high95Very high68 Ų6853.7 Ų53.742%0.41730%0.301SS..Hα-helixtrans-60.9-45.5177.6-57.40000111.4A39 N40 L45 K46 E47A39-T43 PolarHBondContact O-N 3.24Å; A39-T43 VanDerWaalsContact O-N 3.07Å; A39-T43 PolarHBondContact O-OG1 3.45Å; N40-T43 PolarHBondContact O-N 3.2Å; T43-L45 VanDerWaalsContact C-N 3.3Å; T43-L45 PolarHBondContact O-N 2.94Å; T43-K46 WeakPolarHBondContact O-CB 2.97Å; T43-K46 PolarHBondContact O-N 2.82Å; T43-K46 VanDerWaalsContact O-N 3.12Å; T43-E47 WeakPolarHBondContact O-CG 3.41Å; T43-E47 PolarHBondContact O-N 2.87Å
44F97.6Very high95Very high13 Ų1356.4 Ų56.46%0.05731%0.308CS..Hα-helixtrans-56.5-43.2174.8171.4-91.7000112.2N40 F41 E47 R48 L87 K90 Y91N40-F44 PolarHBondContact O-N 3.23Å; F41-F44 HydrophobicContact CD2-CD1 4.38Å; F41-F44 HydrophobicContact CE2-CD1 4.32Å; F41-F44 PolarHBondContact O-N 3.31Å; F44-E47 PolarHBondContact O-N 3.21Å; F44-R48 HydrophobicContact CD1-CG 4.45Å; F44-R48 HydrophobicContact CD2-CG 3.83Å; F44-R48 HydrophobicContact CE1-CB 4.33Å; F44-R48 HydrophobicContact CE1-CG 4.23Å; F44-R48 HydrophobicContact CE2-CG 3.63Å; F44-R48 HydrophobicContact CG-CG 4.26Å; F44-R48 HydrophobicContact CZ-CB 4.29Å; F44-R48 HydrophobicContact CZ-CG 3.84Å; F44-R48 VanDerWaalsContact O-CB 3.24Å; F44-R48 WeakPolarHBondContact O-CB 3.38Å; F44-R48 WeakPolarHBondContact O-CG 3.35Å; F44-R48 PolarHBondContact O-N 2.84Å; F44-L87 HydrophobicContact CE1-CB 4.44Å; F44-L87 WeakPolarHBondContact CE1-O 3.45Å; F44-K90 HydrophobicContact CZ-CB 4.38Å; F44-K90 HydrophobicContact CZ-CG 4.34Å; F44-Y91 HydrophobicContact CB-CD2 3.84Å; F44-Y91 HydrophobicContact CB-CE2 4.06Å; F44-Y91 AromaticContact CD1-CD2 3.79Å; F44-Y91 HydrophobicContact CD1-CD2 3.79Å; F44-Y91 HydrophobicContact CD1-CG 4.24Å; F44-Y91 AromaticContact CD2-CD2 3.83Å; F44-Y91 HydrophobicContact CD2-CD2 3.83Å; F44-Y91 HydrophobicContact CE1-CD2 4.29Å; F44-Y91 HydrophobicContact CE1-CG 4.45Å; F44-Y91 HydrophobicContact CE2-CD2 4.29Å; F44-Y91 AromaticContact CG-CD2 3.54Å; F44-Y91 HydrophobicContact CG-CD2 3.54Å; F44-Y91 HydrophobicContact CG-CE2 4.25Å; F44-Y91 HydrophobicContact CG-CG 4.42Å
45L97.4Very high95.2Very high0 Ų056.3 Ų56.30%030%0.295CS..Hα-helixtrans-64.9-42.7177.3-72.8176.4000111.3F41 E42 T43 E47 R48 I49 V64 I71 L84 L87F41-L45 HydrophobicContact CD1-CD1 4.14Å; F41-L45 HydrophobicContact CE1-CD1 3.59Å; F41-L45 HydrophobicContact CE1-CG 4.21Å; F41-L45 HydrophobicContact CE2-CD1 4.43Å; F41-L45 HydrophobicContact CE2-CD2 4.3Å; F41-L45 HydrophobicContact CE2-CG 4.18Å; F41-L45 HydrophobicContact CZ-CD1 3.75Å; F41-L45 HydrophobicContact CZ-CD2 4.08Å; F41-L45 HydrophobicContact CZ-CG 3.96Å; F41-L45 WeakPolarHBondContact O-CG 3.4Å; F41-L45 PolarHBondContact O-N 3.02Å; E42-L45 PolarHBondContact O-N 3.3Å; T43-L45 VanDerWaalsContact C-N 3.3Å; T43-L45 PolarHBondContact O-N 2.94Å; L45-E47 VanDerWaalsContact C-N 3.27Å; L45-E47 PolarHBondContact O-N 3.06Å; L45-R48 PolarHBondContact O-N 2.89Å; L45-I49 HydrophobicContact CB-CD1 4.14Å; L45-I49 VanDerWaalsContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CD1 3.36Å; L45-I49 WeakPolarHBondContact O-CG1 3.26Å; L45-I49 PolarHBondContact O-N 2.8Å; L45-V64 HydrophobicContact CB-CG1 4.3Å; L45-V64 HydrophobicContact CD1-CG1 4.3Å; L45-I71 HydrophobicContact CD1-CG2 3.82Å; L45-L84 HydrophobicContact CD1-CD1 4.33Å; L45-L84 HydrophobicContact CD2-CD1 4.05Å; L45-L87 HydrophobicContact CD2-CB 3.89Å; L45-L87 HydrophobicContact CD2-CD1 4.07Å
46K96.1Very high95Very high86 Ų8656.7 Ų56.737%0.37431%0.314SS..Hα-helixtrans-58.8-39.1176.6-75.8171.4168.8168.90112.2E42 T43 L58 V64E42-K46 HydrophobicContact CG-CD 4.48Å; E42-K46 PolarHBondContact O-N 2.88Å; E42-K46 WeakPolarHBondContact OE1-CE 3.5Å; E42-K46 IonicContact OE1-NZ 3.68Å; E42-K46 PolarHBondContact OE1-NZ 2.83Å; T43-K46 WeakPolarHBondContact O-CB 2.97Å; T43-K46 PolarHBondContact O-N 2.82Å; T43-K46 VanDerWaalsContact O-N 3.12Å; K46-L58 HydrophobicContact CB-CD1 4.06Å; K46-L58 HydrophobicContact CG-CD1 4.22Å; K46-L58 WeakPolarHBondContact O-CD1 3.43Å; K46-V64 HydrophobicContact CG-CB 4.2Å; K46-V64 HydrophobicContact CG-CG2 4.37Å
47E96.8Very high94.8Very high116 Ų11660.7 Ų60.754%0.54234%0.335SS..Hα-helixtrans-76.7-34178.7-69.4174.5-179.200113.7T43 F44 L45 T55T43-E47 WeakPolarHBondContact O-CG 3.41Å; T43-E47 PolarHBondContact O-N 2.87Å; F44-E47 PolarHBondContact O-N 3.21Å; L45-E47 VanDerWaalsContact C-N 3.27Å; L45-E47 PolarHBondContact O-N 3.06Å; E47-T55 WeakPolarHBondContact O-CB 3.41Å; E47-T55 WeakPolarHBondContact O-CG2 3.34Å
48R97.3Very high94.5Very high86 Ų8658 Ų5833%0.32532%0.321SS..Hα-helixtrans-102.4-16.6-167.3-60.2-62.9-72.6149.9-17.6114.7F44 L45 K50 Y83 L87F44-R48 HydrophobicContact CD1-CG 4.45Å; F44-R48 HydrophobicContact CD2-CG 3.83Å; F44-R48 HydrophobicContact CE1-CB 4.33Å; F44-R48 HydrophobicContact CE1-CG 4.23Å; F44-R48 HydrophobicContact CE2-CG 3.63Å; F44-R48 HydrophobicContact CG-CG 4.26Å; F44-R48 HydrophobicContact CZ-CB 4.29Å; F44-R48 HydrophobicContact CZ-CG 3.84Å; F44-R48 VanDerWaalsContact O-CB 3.24Å; F44-R48 WeakPolarHBondContact O-CB 3.38Å; F44-R48 WeakPolarHBondContact O-CG 3.35Å; F44-R48 PolarHBondContact O-N 2.84Å; L45-R48 PolarHBondContact O-N 2.89Å; R48-K50 PolarHBondContact O-N 3.41Å; R48-Y83 PolarHBondContact O-OH 2.82Å; R48-Y83 VanDerWaalsContact O-OH 3.11Å; R48-L87 HydrophobicContact CB-CD2 3.98Å
49I97.1Very high94Very high0 Ų060.6 Ų60.60%035%0.349CS..  trans-64.3129.7171.5-73.5168.1000109.1L45 L58 V62 V64 V73 F79 Y83 L87L45-I49 HydrophobicContact CB-CD1 4.14Å; L45-I49 VanDerWaalsContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CD1 3.36Å; L45-I49 WeakPolarHBondContact O-CG1 3.26Å; L45-I49 PolarHBondContact O-N 2.8Å; I49-L58 HydrophobicContact CB-CD2 3.85Å; I49-L58 HydrophobicContact CG2-CD2 3.5Å; I49-L58 VanDerWaalsContact CG2-CD2 3.5Å; I49-V62 HydrophobicContact CD1-CG1 4.27Å; I49-V62 HydrophobicContact CG2-CG1 4.27Å; I49-V62 HydrophobicContact CG2-CG2 4.39Å; I49-V64 HydrophobicContact CD1-CG2 3.72Å; I49-V73 HydrophobicContact CD1-CG1 4.46Å; I49-F79 HydrophobicContact CD1-CE2 4.47Å; I49-F79 HydrophobicContact CD1-CZ 4.43Å; I49-F79 HydrophobicContact CG1-CE2 4.46Å; I49-F79 HydrophobicContact CG2-CE2 4.04Å; I49-Y83 HydrophobicContact CG2-CE1 4.44Å; I49-L87 HydrophobicContact CB-CD1 4.46Å; I49-L87 HydrophobicContact CG1-CD1 3.52Å
50K95.1Very high93.6Very high106 Ų10665.2 Ų65.246%0.46137%0.369SS..EExtended strand (participates in β ladder)trans-101.9135.2175.8-69179.9171-159.50110.5R48 G53 K54 T55 Y83R48-K50 PolarHBondContact O-N 3.41Å; K50-G53 WeakPolarHBondContact CD-O 3.4Å; K50-K54 CarbonylContact C-O 3.58Å; K50-K54 VanDerWaalsContact CA-O 3.24Å; K50-K54 WeakPolarHBondContact CA-O 3.43Å; K50-T55 HydrophobicContact CD-CG2 4.45Å; K50-T55 HydrophobicContact CG-CG2 3.54Å; K50-Y83 WeakPolarHBondContact CB-OH 3.42Å; K50-Y83 PolarHBondContact N-OH 3.48Å
51V92.4Very high93.4Very high10 Ų1063.4 Ų63.46%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-117.4124.4167.3-1780000106.8G53 K54 L58 I61 V62V51-G53 PolarHBondContact O-N 3.36Å; V51-K54 PolarHBondContact N-O 2.81Å; V51-K54 PolarHBondContact O-N 2.86Å; V51-L58 HydrophobicContact CG2-CD2 4.34Å; V51-I61 HydrophobicContact CG1-CD1 4.08Å; V51-I61 HydrophobicContact CG1-CG2 4.13Å; V51-V62 HydrophobicContact CG2-CG2 3.74Å
52N90Very high93.2Very high132 Ų13263.7 Ų63.771%0.70636%0.361SS*.THydrogen-bonded Turntrans51.440.1-173.9-65.9-1.9000113.4K54N52-K54 VanDerWaalsContact C-N 3.29Å; N52-K54 PolarHBondContact O-N 2.78Å
53G92Very high93.2Very high54 Ų5467.7 Ų67.756%0.55738%0.38SS*.THydrogen-bonded Turntrans83.2-10.1176.500000116K50 V51K50-G53 WeakPolarHBondContact CD-O 3.4Å; V51-G53 PolarHBondContact O-N 3.36Å
54K93.5Very high93.1Very high156 Ų15665.2 Ų65.268%0.67836%0.364SS*.EExtended strand (participates in β ladder)trans-110.3140.7-178.9-62.9-176.2-179.5-178.10111.9K50 V51 N52K50-K54 CarbonylContact C-O 3.58Å; K50-K54 VanDerWaalsContact CA-O 3.24Å; K50-K54 WeakPolarHBondContact CA-O 3.43Å; V51-K54 PolarHBondContact N-O 2.81Å; V51-K54 PolarHBondContact O-N 2.86Å; N52-K54 VanDerWaalsContact C-N 3.29Å; N52-K54 PolarHBondContact O-N 2.78Å
55T94.5Very high93Very high62 Ų6266.1 Ų66.138%0.3838%0.378SS..EExtended strand (participates in β ladder)trans-83.6165.8170.846.90000110.8E47 K50 N57E47-T55 WeakPolarHBondContact O-CB 3.41Å; E47-T55 WeakPolarHBondContact O-CG2 3.34Å; K50-T55 HydrophobicContact CD-CG2 4.45Å; K50-T55 HydrophobicContact CG-CG2 3.54Å; T55-N57 PolarHBondContact O-N 2.94Å
56G89.6Confident92.9Very high71 Ų7172 Ų7273%0.73240%0.4SS*.SBendtrans74.24.7175.600000115.3
57N88.9Confident92.7Very high91 Ų9173.1 Ų73.149%0.48741%0.408SS..  trans-117.151.7-179-169.232.7000111.8T55T55-N57 PolarHBondContact O-N 2.94Å
58L88.4Confident92.3Very high28 Ų2875.4 Ų75.415%0.14742%0.416CS..  trans-76.3-40.7-179-64.6170.2000112K46 I49 V51 N60 I61 V62K46-L58 HydrophobicContact CB-CD1 4.06Å; K46-L58 HydrophobicContact CG-CD1 4.22Å; K46-L58 WeakPolarHBondContact O-CD1 3.43Å; I49-L58 HydrophobicContact CB-CD2 3.85Å; I49-L58 HydrophobicContact CG2-CD2 3.5Å; I49-L58 VanDerWaalsContact CG2-CD2 3.5Å; V51-L58 HydrophobicContact CG2-CD2 4.34Å; L58-N60 PolarHBondContact O-N 2.98Å; L58-I61 WeakPolarHBondContact O-CB 3.43Å; L58-I61 PolarHBondContact O-N 3.48Å; L58-V62 HydrophobicContact CD2-CB 3.76Å; L58-V62 HydrophobicContact CD2-CG1 4.15Å; L58-V62 HydrophobicContact CD2-CG2 4.33Å; L58-V62 PolarHBondContact O-N 2.93Å
59G85.7Confident92.1Very high61 Ų6172.4 Ų72.463%0.62941%0.407SS*.THydrogen-bonded Turntrans46.2-130.5-177.700000111.9
60N86.4Confident92.1Very high125 Ų12576.4 Ų76.467%0.66842%0.424SS*.THydrogen-bonded Turntrans-95.13.1170-72.2-13.7000113.4L58L58-N60 PolarHBondContact O-N 2.98Å
61I91.6Very high92.2Very high39 Ų3971.4 Ų71.420%0.240%0.402CS..THydrogen-bonded Turntrans-78.9-39.4-172.9-59.8173000111.5V51 L58 S75 E76 K77V51-I61 HydrophobicContact CG1-CD1 4.08Å; V51-I61 HydrophobicContact CG1-CG2 4.13Å; L58-I61 WeakPolarHBondContact O-CB 3.43Å; L58-I61 PolarHBondContact O-N 3.48Å; I61-S75 CarbonylContact O-C 3.59Å; I61-S75 WeakPolarHBondContact O-CA 3.43Å; I61-S75 PolarHBondContact O-OG 2.8Å; I61-E76 PolarHBondContact O-N 2.57Å; I61-K77 HydrophobicContact CD1-CD 4.49Å; I61-K77 HydrophobicContact CG2-CB 3.76Å; I61-K77 HydrophobicContact CG2-CD 3.82Å; I61-K77 HydrophobicContact CG2-CG 3.7Å
62V94.6Very high92.4Very high6 Ų673.3 Ų73.34%0.03641%0.412CS..EExtended strand (participates in β ladder)trans-128.9120.9177.1-177.30000108.5I49 V51 L58 V64 V73 T74 S75I49-V62 HydrophobicContact CD1-CG1 4.27Å; I49-V62 HydrophobicContact CG2-CG1 4.27Å; I49-V62 HydrophobicContact CG2-CG2 4.39Å; V51-V62 HydrophobicContact CG2-CG2 3.74Å; L58-V62 HydrophobicContact CD2-CB 3.76Å; L58-V62 HydrophobicContact CD2-CG1 4.15Å; L58-V62 HydrophobicContact CD2-CG2 4.33Å; L58-V62 PolarHBondContact O-N 2.93Å; V62-V64 HydrophobicContact CG1-CG2 4.42Å; V62-V73 HydrophobicContact CG1-CG1 3.91Å; V62-T74 CarbonylContact C-O 3.49Å; V62-T74 WeakPolarHBondContact CA-O 3.07Å; V62-S75 WeakPolarHBondContact CG2-OG 3.48Å
63Q94.6Very high92.7Very high112 Ų11267 Ų6752%0.52338%0.379SS..EExtended strand (participates in β ladder)trans-108.3125.5175.1-63.1-179.4-4.800108.9V73 T74Q63-V73 WeakPolarHBondContact O-CA 3.26Å; Q63-T74 PolarHBondContact N-O 2.94Å; Q63-T74 PolarHBondContact O-N 3.4Å
64V96.2Very high92.9Very high15 Ų1566.4 Ų66.49%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-109.7118.7172.5-1740000107E42 L45 K46 I49 V62 I71 N72 V73E42-V64 HydrophobicContact CG-CG1 3.96Å; L45-V64 HydrophobicContact CB-CG1 4.3Å; L45-V64 HydrophobicContact CD1-CG1 4.3Å; K46-V64 HydrophobicContact CG-CB 4.2Å; K46-V64 HydrophobicContact CG-CG2 4.37Å; I49-V64 HydrophobicContact CD1-CG2 3.72Å; V62-V64 HydrophobicContact CG1-CG2 4.42Å; V64-I71 HydrophobicContact CG1-CG2 3.77Å; V64-N72 CarbonylContact C-O 3.58Å; V64-N72 WeakPolarHBondContact CA-O 3.48Å; V64-V73 HydrophobicContact CG1-CG2 4.4Å; V64-V73 HydrophobicContact CG2-CG2 4.41Å
65G95.4Very high93Very high33 Ų3359.1 Ų59.134%0.3433%0.333SS..EExtended strand (participates in β ladder)trans-120.1138.7179.500000111.3I71 N72G65-I71 WeakPolarHBondContact O-CA 3.38Å; G65-N72 PolarHBondContact N-O 3.11Å; G65-N72 PolarHBondContact O-N 2.92Å
66R95.3Very high92.8Very high122 Ų12262 Ų6246%0.4634%0.342SS..EExtended strand (participates in β ladder)trans-103.7132.2176.9177.8-173.469.2157.80111.1E42 I71E42-R66 HydrophobicContact CG-CB 4.34Å; E42-R66 WeakPolarHBondContact OE2-CB 3.45Å; E42-R66 IonicContact OE2-NE 3.92Å; R66-I71 HydrophobicContact CB-CD1 3.69Å; R66-I71 HydrophobicContact CG-CD1 3.81Å
67M91.8Very high92.8Very high111 Ų11162.8 Ų62.855%0.54733%0.325SS..EExtended strand (participates in β ladder)trans-12477.2170.2-73.9-172.9-73.300108.7N69 K70 N72M67-N69 VanDerWaalsContact C-N 3.27Å; M67-N69 PolarHBondContact O-N 2.9Å; M67-K70 HydrophobicContact CB-CB 4.49Å; M67-K70 PolarHBondContact N-O 3.2Å; M67-K70 PolarHBondContact O-N 3.17Å; M67-N72 VanDerWaalsContact CE-CG 3.45Å; M67-N72 WeakPolarHBondContact CE-ND2 3.24Å
68K88.7Confident93Very high163 Ų16366.9 Ų66.971%0.70934%0.341SS*.THydrogen-bonded Turntrans45.8-75.8-178.3-162.7-173.2176.5-1740114.9S38S38-K68 WeakPolarHBondContact CB-O 3.17Å; S38-K68 PolarHBondContact OG-O 3.28Å
69N92.3Very high93.2Very high24 Ų2466.1 Ų66.113%0.12834%0.337CS..THydrogen-bonded Turntrans-96.5-9.5-178.7-65.46.6000113.4L27 T28 E32 M67L27-N69 CarbonylContact C-O 3.59Å; L27-N69 VanDerWaalsContact CA-O 3.31Å; L27-N69 WeakPolarHBondContact CA-O 3.16Å; L27-N69 VanDerWaalsContact CB-O 3.29Å; L27-N69 WeakPolarHBondContact CB-O 3.31Å; L27-N69 PolarHBondContact N-O 3.36Å; T28-N69 PolarHBondContact N-O 3.5Å; E32-N69 PolarHBondContact OE1-ND2 3.23Å; M67-N69 VanDerWaalsContact C-N 3.27Å; M67-N69 PolarHBondContact O-N 2.9Å
70K96.1Very high93.7Very high84 Ų8466.1 Ų66.137%0.36533%0.327SS..EExtended strand (participates in β ladder)trans-123.5145.9-178.1-57-167-175.2-150.60111.7T24 L25 D26 M67T24-K70 HydrophobicContact CG2-CB 4.36Å; T24-K70 HydrophobicContact CG2-CD 4.32Å; L25-K70 CarbonylContact O-C 3.53Å; L25-K70 VanDerWaalsContact O-CA 3.31Å; L25-K70 WeakPolarHBondContact O-CA 3.36Å; D26-K70 WeakPolarHBondContact OD2-CE 3.42Å; D26-K70 IonicContact OD2-NZ 2.84Å; D26-K70 PolarHBondContact OD2-NZ 2.96Å; M67-K70 HydrophobicContact CB-CB 4.49Å; M67-K70 PolarHBondContact N-O 3.2Å; M67-K70 PolarHBondContact O-N 3.17Å
71I97.6Very high94.2Very high0 Ų061.4 Ų61.40%030%0.301CS..EExtended strand (participates in β ladder)trans-114.2127.6168.9-61.9-63.5000109.2T24 L25 L27 F41 E42 L45 V64 G65 R66 V73T24-I71 CarbonylContact C-O 3.44Å; T24-I71 WeakPolarHBondContact CA-O 3.29Å; L25-I71 HydrophobicContact CB-CB 4.3Å; L25-I71 PolarHBondContact N-O 3.18Å; L25-I71 PolarHBondContact O-N 2.91Å; L27-I71 HydrophobicContact CD1-CG1 3.74Å; F41-I71 HydrophobicContact CD1-CG1 3.91Å; F41-I71 HydrophobicContact CE1-CG1 4.2Å; E42-I71 HydrophobicContact CB-CD1 4.04Å; E42-I71 HydrophobicContact CG-CD1 4.41Å; L45-I71 HydrophobicContact CD1-CG2 3.82Å; V64-I71 HydrophobicContact CG1-CG2 3.77Å; G65-I71 WeakPolarHBondContact O-CA 3.38Å; R66-I71 HydrophobicContact CB-CD1 3.69Å; R66-I71 HydrophobicContact CG-CD1 3.81Å; I71-V73 HydrophobicContact CG2-CG2 4.25Å
72N97.1Very high94.5Very high50 Ų5069.2 Ų69.227%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-104.9129.7173.2-775000110.1T24 V64 G65 M67T24-N72 WeakPolarHBondContact CG2-OD1 3.47Å; T24-N72 PolarHBondContact OG1-OD1 2.88Å; V64-N72 CarbonylContact C-O 3.58Å; V64-N72 WeakPolarHBondContact CA-O 3.48Å; G65-N72 PolarHBondContact N-O 3.11Å; G65-N72 PolarHBondContact O-N 2.92Å; M67-N72 VanDerWaalsContact CE-CG 3.45Å; M67-N72 WeakPolarHBondContact CE-ND2 3.24Å
73V96.9Very high94.6Very high1 Ų171.4 Ų71.41%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-115.7115.6172.8-176.50000108K22 F23 I49 V62 Q63 V64 I71 F79 L84K22-V73 WeakPolarHBondContact CA-O 3.34Å; F23-V73 PolarHBondContact N-O 3.14Å; F23-V73 PolarHBondContact O-N 3.24Å; I49-V73 HydrophobicContact CD1-CG1 4.46Å; V62-V73 HydrophobicContact CG1-CG1 3.91Å; Q63-V73 WeakPolarHBondContact O-CA 3.26Å; V64-V73 HydrophobicContact CG1-CG2 4.4Å; V64-V73 HydrophobicContact CG2-CG2 4.41Å; I71-V73 HydrophobicContact CG2-CG2 4.25Å; V73-F79 HydrophobicContact CG1-CD1 4.42Å; V73-F79 HydrophobicContact CG1-CE1 3.88Å; V73-F79 HydrophobicContact CG1-CE2 4.42Å; V73-F79 HydrophobicContact CG1-CZ 3.89Å; V73-L84 HydrophobicContact CG2-CD1 3.96Å; V73-L84 HydrophobicContact CG2-CD2 4.21Å
74T95.6Very high94.8Very high41 Ų4166 Ų6625%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-111.9133.3174.3-58.90000108.9W21 K22 V62 Q63W21-T74 CarbonylContact O-C 3.59Å; W21-T74 WeakPolarHBondContact O-CA 3.27Å; K22-T74 HydrophobicContact CG-CG2 3.99Å; V62-T74 CarbonylContact C-O 3.49Å; V62-T74 WeakPolarHBondContact CA-O 3.07Å; Q63-T74 PolarHBondContact N-O 2.94Å; Q63-T74 PolarHBondContact O-N 3.4Å
75S94.8Very high94.9Very high3 Ų368.4 Ų68.42%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-133.1142.1174.1-169.30000112.7S20 W21 I61 V62 K77S20-S75 CarbonylContact C-O 3.56Å; S20-S75 WeakPolarHBondContact CA-O 3.03Å; W21-S75 PolarHBondContact N-O 3.15Å; W21-S75 PolarHBondContact O-N 3.32Å; I61-S75 CarbonylContact O-C 3.59Å; I61-S75 WeakPolarHBondContact O-CA 3.43Å; I61-S75 PolarHBondContact O-OG 2.8Å; V62-S75 WeakPolarHBondContact CG2-OG 3.48Å; S75-K77 WeakPolarHBondContact CB-O 3.25Å; S75-K77 PolarHBondContact OG-N 3.05Å; S75-K77 PolarHBondContact OG-O 3.45Å; S75-K77 VanDerWaalsContact OG-O 3.05Å
76E92.1Very high95Very high121 Ų12172.7 Ų72.757%0.56533%0.327SS*.SBendtrans-85.8-12.2170.7-60.7-173.816400113W21 I61W21-E76 WeakPolarHBondContact CZ3-O 3.32Å; I61-E76 PolarHBondContact O-N 2.57Å
77K89.8Confident95.1Very high89 Ų8967 Ų6739%0.38731%0.305SS..SBendtrans-111.4162.9174.4-79.8-169.3-177.3179.40110.3W21 I61 S75 F79W21-K77 VanDerWaalsContact CZ3-O 3.32Å; W21-K77 WeakPolarHBondContact CZ3-O 3.37Å; I61-K77 HydrophobicContact CD1-CD 4.49Å; I61-K77 HydrophobicContact CG2-CB 3.76Å; I61-K77 HydrophobicContact CG2-CD 3.82Å; I61-K77 HydrophobicContact CG2-CG 3.7Å; S75-K77 WeakPolarHBondContact CB-O 3.25Å; S75-K77 PolarHBondContact OG-N 3.05Å; S75-K77 PolarHBondContact OG-O 3.45Å; S75-K77 VanDerWaalsContact OG-O 3.05Å; K77-F79 PolarHBondContact O-N 3.36Å
78Q91.7Very high95.4Very high177 Ų17761.7 Ų61.783%0.82728%0.279SS*.  trans-53.4111.2-179.9-169.7177.921.100110.5W21W21-Q78 HydrophobicContact CH2-CB 4.14Å; W21-Q78 HydrophobicContact CZ2-CB 3.96Å; W21-Q78 HydrophobicContact CZ2-CG 4.16Å; W21-Q78 VanDerWaalsContact CZ3-N 3.31Å
79F93.9Very high95.9Very high11 Ų1158.3 Ų58.35%0.04826%0.264CS..  trans-126130.7178.3-169.7-89.2000107.4W21 F23 I49 V73 K77 Y83 L84W21-F79 HydrophobicContact CB-CB 4.19Å; F23-F79 AromaticContact CD2-CD1 3.62Å; F23-F79 HydrophobicContact CD2-CD1 3.62Å; F23-F79 HydrophobicContact CD2-CE1 4.07Å; F23-F79 AromaticContact CE2-CD1 3.75Å; F23-F79 HydrophobicContact CE2-CD1 3.75Å; F23-F79 VanDerWaalsContact CE2-O 3.27Å; F23-F79 WeakPolarHBondContact CE2-O 3.29Å; I49-F79 HydrophobicContact CD1-CE2 4.47Å; I49-F79 HydrophobicContact CD1-CZ 4.43Å; I49-F79 HydrophobicContact CG1-CE2 4.46Å; I49-F79 HydrophobicContact CG2-CE2 4.04Å; V73-F79 HydrophobicContact CG1-CD1 4.42Å; V73-F79 HydrophobicContact CG1-CE1 3.88Å; V73-F79 HydrophobicContact CG1-CE2 4.42Å; V73-F79 HydrophobicContact CG1-CZ 3.89Å; K77-F79 PolarHBondContact O-N 3.36Å; F79-Y83 HydrophobicContact CD2-CD1 4.35Å; F79-Y83 AromaticContact CE2-CD1 3.69Å; F79-Y83 HydrophobicContact CE2-CD1 3.69Å; F79-Y83 HydrophobicContact CE2-CE1 4.06Å; F79-Y83 AromaticContact CZ-CD1 3.97Å; F79-Y83 HydrophobicContact CZ-CD1 3.97Å; F79-L84 HydrophobicContact CE1-CB 4.13Å
80S94.9Very high96.2Very high62 Ų6260.5 Ų60.543%0.43427%0.273SS..  trans-100.1136.2-178.1730000110.7R82 Y83 L84S80-R82 PolarHBondContact O-N 2.79Å; S80-Y83 WeakPolarHBondContact O-CB 3.48Å; S80-Y83 PolarHBondContact O-N 3.13Å; S80-Y83 WeakPolarHBondContact OG-CB 3.31Å; S80-Y83 PolarHBondContact OG-N 3.47Å; S80-L84 PolarHBondContact O-N 2.91Å
81K96.7Very high96.3Very high26 Ų2656.9 Ų56.911%0.11326%0.257CS..Hα-helixtrans-52.7-41.6169.7-174.4170.4-178.3-153.60111.3F23 Y83 L84 K85 D107 K108 T110 Y111F23-K81 HydrophobicContact CD1-CB 3.74Å; F23-K81 HydrophobicContact CD1-CD 4.08Å; F23-K81 HydrophobicContact CD1-CG 3.97Å; F23-K81 HydrophobicContact CE1-CB 3.57Å; F23-K81 HydrophobicContact CE1-CD 4.32Å; F23-K81 HydrophobicContact CE1-CG 4.24Å; F23-K81 HydrophobicContact CE2-CB 4.44Å; F23-K81 HydrophobicContact CG-CB 4.28Å; F23-K81 HydrophobicContact CZ-CB 3.93Å; K81-Y83 PolarHBondContact O-N 2.84Å; K81-L84 WeakPolarHBondContact O-CB 3.31Å; K81-L84 PolarHBondContact O-N 2.89Å; K81-K85 PolarHBondContact O-N 2.8Å; K81-K85 VanDerWaalsContact O-N 3.12Å; K81-D107 PolarHBondContact NZ-O 3.16Å; K81-K108 WeakPolarHBondContact CD-O 3.17Å; K81-K108 PolarHBondContact NZ-O 2.84Å; K81-T110 VanDerWaalsContact CE-O 3.28Å; K81-T110 WeakPolarHBondContact CE-O 3.49Å; K81-T110 PolarHBondContact NZ-O 3.4Å; K81-Y111 HydrophobicContact CB-CE2 4.38Å; K81-Y111 HydrophobicContact CD-CD2 4.35Å; K81-Y111 HydrophobicContact CD-CE2 3.88Å; K81-Y111 VanDerWaalsContact CE-CE2 3.43Å; K81-Y111 HydrophobicContact CG-CD2 3.86Å; K81-Y111 HydrophobicContact CG-CE2 3.16Å; K81-Y111 VanDerWaalsContact O-CE2 3.28Å; K81-Y111 WeakPolarHBondContact O-CE2 3.41Å
82R97.9Very high96.3Very high202 Ų20257 Ų5776%0.76226%0.258SS*.Hα-helixtrans-55.8-38177.7-173.4-178-62.1-84.2-0.3112.9S80 L84 K85 Y86S80-R82 PolarHBondContact O-N 2.79Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-K85 WeakPolarHBondContact O-CB 3.39Å; R82-K85 PolarHBondContact O-N 3.21Å; R82-Y86 PolarHBondContact O-N 2.92Å
83Y97.6Very high96.3Very high52 Ų5260.5 Ų60.520%0.20427%0.27CS..Hα-helixtrans-64.8-39.8177.3-179.1-140.6000111.9R48 I49 K50 F79 S80 K81 K85 Y86 L87R48-Y83 PolarHBondContact O-OH 2.82Å; R48-Y83 VanDerWaalsContact O-OH 3.11Å; I49-Y83 HydrophobicContact CG2-CE1 4.44Å; K50-Y83 WeakPolarHBondContact CB-OH 3.42Å; K50-Y83 PolarHBondContact N-OH 3.48Å; F79-Y83 HydrophobicContact CD2-CD1 4.35Å; F79-Y83 AromaticContact CE2-CD1 3.69Å; F79-Y83 HydrophobicContact CE2-CD1 3.69Å; F79-Y83 HydrophobicContact CE2-CE1 4.06Å; F79-Y83 AromaticContact CZ-CD1 3.97Å; F79-Y83 HydrophobicContact CZ-CD1 3.97Å; S80-Y83 WeakPolarHBondContact O-CB 3.48Å; S80-Y83 PolarHBondContact O-N 3.13Å; S80-Y83 WeakPolarHBondContact OG-CB 3.31Å; S80-Y83 PolarHBondContact OG-N 3.47Å; K81-Y83 PolarHBondContact O-N 2.84Å; Y83-K85 PolarHBondContact O-N 3.12Å; Y83-Y86 AromaticContact CD2-CD1 3.9Å; Y83-Y86 HydrophobicContact CD2-CD1 3.9Å; Y83-Y86 AromaticContact CE2-CD1 3.88Å; Y83-Y86 HydrophobicContact CE2-CD1 3.88Å; Y83-Y86 HydrophobicContact CE2-CE1 4.22Å; Y83-Y86 WeakPolarHBondContact O-CB 3.49Å; Y83-Y86 PolarHBondContact O-N 3.13Å; Y83-L87 HydrophobicContact CD2-CD1 4.49Å; Y83-L87 HydrophobicContact CD2-CG 4.26Å; Y83-L87 HydrophobicContact CE1-CD1 4.09Å; Y83-L87 HydrophobicContact CE2-CD1 3.99Å; Y83-L87 HydrophobicContact CE2-CD2 4.02Å; Y83-L87 HydrophobicContact CE2-CG 3.84Å; Y83-L87 PolarHBondContact O-N 3.04Å
84L97.6Very high96.3Very high0 Ų067.8 Ų67.80%030%0.302CS..Hα-helixtrans-59.8-45.4173.4-169.957.9000111.5F23 L25 L45 V73 F79 S80 K81 R82 Y86 L87 T88F23-L84 HydrophobicContact CB-CD2 3.85Å; L25-L84 HydrophobicContact CD1-CD1 3.65Å; L25-L84 HydrophobicContact CD1-CD2 3.78Å; L25-L84 HydrophobicContact CD1-CG 3.59Å; L25-L84 HydrophobicContact CG-CD2 3.9Å; L25-L84 HydrophobicContact CG-CG 4.13Å; L45-L84 HydrophobicContact CD1-CD1 4.33Å; L45-L84 HydrophobicContact CD2-CD1 4.05Å; V73-L84 HydrophobicContact CG2-CD1 3.96Å; V73-L84 HydrophobicContact CG2-CD2 4.21Å; F79-L84 HydrophobicContact CE1-CB 4.13Å; S80-L84 PolarHBondContact O-N 2.91Å; K81-L84 WeakPolarHBondContact O-CB 3.31Å; K81-L84 PolarHBondContact O-N 2.89Å; R82-L84 VanDerWaalsContact C-N 3.33Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 3.02Å; L84-L87 PolarHBondContact O-N 3.32Å; L84-L87 VanDerWaalsContact O-N 3.17Å; L84-T88 PolarHBondContact O-N 2.98Å; L84-T88 PolarHBondContact O-OG1 3.05Å
85K98.2Very high96.3Very high65 Ų6568.9 Ų68.928%0.28331%0.306SS..Hα-helixtrans-56.5-43.1174.4-174.9169.9-173.6165.70112.6K81 R82 Y83 T88 K89 V103 Y111K81-K85 PolarHBondContact O-N 2.8Å; K81-K85 VanDerWaalsContact O-N 3.12Å; R82-K85 WeakPolarHBondContact O-CB 3.39Å; R82-K85 PolarHBondContact O-N 3.21Å; Y83-K85 PolarHBondContact O-N 3.12Å; K85-T88 PolarHBondContact O-N 2.93Å; K85-K89 WeakPolarHBondContact O-CB 3.45Å; K85-K89 WeakPolarHBondContact O-CG 3.18Å; K85-K89 PolarHBondContact O-N 3.07Å; K85-V103 WeakPolarHBondContact CE-O 3.42Å; K85-V103 HydrophobicContact CG-CB 4.24Å; K85-V103 HydrophobicContact CG-CG1 4.01Å; K85-V103 PolarHBondContact NZ-O 3.39Å; K85-Y111 HydrophobicContact CB-CD2 4.38Å; K85-Y111 HydrophobicContact CB-CE1 4.36Å; K85-Y111 HydrophobicContact CB-CE2 3.61Å; K85-Y111 HydrophobicContact CD-CE1 3.88Å; K85-Y111 HydrophobicContact CG-CE1 4.44Å; K85-Y111 HydrophobicContact CG-CE2 4.48Å
86Y98.4Very high96.3Very high122 Ų12274.2 Ų74.248%0.47834%0.335SS..Hα-helixtrans-60.9-47.9177.5160.5-100.2000111.3R82 Y83 L84 K89 K90R82-Y86 PolarHBondContact O-N 2.92Å; Y83-Y86 AromaticContact CD2-CD1 3.9Å; Y83-Y86 HydrophobicContact CD2-CD1 3.9Å; Y83-Y86 AromaticContact CE2-CD1 3.88Å; Y83-Y86 HydrophobicContact CE2-CD1 3.88Å; Y83-Y86 HydrophobicContact CE2-CE1 4.22Å; Y83-Y86 WeakPolarHBondContact O-CB 3.49Å; Y83-Y86 PolarHBondContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.3Å; L84-Y86 PolarHBondContact O-N 3.02Å; Y86-K89 PolarHBondContact O-N 3.38Å; Y86-K90 HydrophobicContact CE1-CD 4.4Å; Y86-K90 WeakPolarHBondContact O-CB 3.18Å; Y86-K90 PolarHBondContact O-N 3.21Å; Y86-K90 PolarHBondContact OH-NZ 3.28Å; Y86-K90 VanDerWaalsContact OH-NZ 3.15Å
87L98.3Very high96.5Very high3 Ų369 Ų692%0.01631%0.311CS..Hα-helixtrans-63.2-42.9178.7-69.3177.6000111.9F44 L45 R48 I49 Y83 L84 K90 Y91F44-L87 HydrophobicContact CE1-CB 4.44Å; F44-L87 WeakPolarHBondContact CE1-O 3.45Å; L45-L87 HydrophobicContact CD2-CB 3.89Å; L45-L87 HydrophobicContact CD2-CD1 4.07Å; R48-L87 HydrophobicContact CB-CD2 3.98Å; I49-L87 HydrophobicContact CB-CD1 4.46Å; I49-L87 HydrophobicContact CG1-CD1 3.52Å; Y83-L87 HydrophobicContact CD2-CD1 4.49Å; Y83-L87 HydrophobicContact CD2-CG 4.26Å; Y83-L87 HydrophobicContact CE1-CD1 4.09Å; Y83-L87 HydrophobicContact CE2-CD1 3.99Å; Y83-L87 HydrophobicContact CE2-CD2 4.02Å; Y83-L87 HydrophobicContact CE2-CG 3.84Å; Y83-L87 PolarHBondContact O-N 3.04Å; L84-L87 PolarHBondContact O-N 3.32Å; L84-L87 VanDerWaalsContact O-N 3.17Å; L87-K90 WeakPolarHBondContact O-CB 3.43Å; L87-K90 PolarHBondContact O-N 3.21Å; L87-K90 VanDerWaalsContact O-N 3.13Å; L87-Y91 PolarHBondContact O-N 3.12Å
88T97.9Very high96.7Very high0 Ų070 Ų700%031%0.312CS..Hα-helixtrans-60.6-48.8175.4-46.90000111.1L25 F41 L84 K85 K90 Y91 L92 V103 L113L25-T88 WeakPolarHBondContact CD1-OG1 3.4Å; L25-T88 HydrophobicContact CD2-CG2 4.28Å; F41-T88 HydrophobicContact CE2-CG2 4.3Å; F41-T88 HydrophobicContact CZ-CG2 3.92Å; L84-T88 PolarHBondContact O-N 2.98Å; L84-T88 PolarHBondContact O-OG1 3.05Å; K85-T88 PolarHBondContact O-N 2.93Å; T88-K90 PolarHBondContact O-N 3.28Å; T88-Y91 WeakPolarHBondContact O-CB 3.36Å; T88-Y91 PolarHBondContact O-N 3.35Å; T88-Y91 VanDerWaalsContact O-N 3.12Å; T88-L92 WeakPolarHBondContact O-CG 3.24Å; T88-L92 PolarHBondContact O-N 3.18Å; T88-V103 HydrophobicContact CG2-CG2 3.76Å; T88-L113 HydrophobicContact CG2-CD2 3.92Å
89K98.3Very high96.7Very high91 Ų9167.5 Ų67.540%0.39630%0.304SS..Hα-helixtrans-60.7-29.3175.7-78.2-169.5170.9-164.20113.4K85 Y86 K93 R98 V103K85-K89 WeakPolarHBondContact O-CB 3.45Å; K85-K89 WeakPolarHBondContact O-CG 3.18Å; K85-K89 PolarHBondContact O-N 3.07Å; Y86-K89 PolarHBondContact O-N 3.38Å; K89-K93 PolarHBondContact O-N 3.25Å; K89-R98 PolarHBondContact O-NE 3.09Å; K89-R98 PolarHBondContact O-NH2 3.08Å; K89-V103 HydrophobicContact CG-CG2 3.91Å
90K98.4Very high96.6Very high71 Ų7173.8 Ų73.831%0.30933%0.328SS..Hα-helixtrans-72.3-42.7175.8-171.5171.9-165.7160.60111.2F44 Y86 L87 T88 K93 K94F44-K90 HydrophobicContact CZ-CB 4.38Å; F44-K90 HydrophobicContact CZ-CG 4.34Å; Y86-K90 HydrophobicContact CE1-CD 4.4Å; Y86-K90 WeakPolarHBondContact O-CB 3.18Å; Y86-K90 PolarHBondContact O-N 3.21Å; Y86-K90 PolarHBondContact OH-NZ 3.28Å; Y86-K90 VanDerWaalsContact OH-NZ 3.15Å; L87-K90 WeakPolarHBondContact O-CB 3.43Å; L87-K90 PolarHBondContact O-N 3.21Å; L87-K90 VanDerWaalsContact O-N 3.13Å; T88-K90 PolarHBondContact O-N 3.28Å; K90-K93 PolarHBondContact O-N 2.98Å; K90-K94 PolarHBondContact O-N 2.95Å
91Y98.1Very high96.7Very high7 Ų771 Ų713%0.02731%0.308CS..Hα-helixtrans-61.4-47.7173-177.4-98.6000111.6L36 N40 F41 F44 L87 T88 K93 K94 N95L36-Y91 HydrophobicContact CD1-CD1 4.47Å; L36-Y91 HydrophobicContact CD1-CE1 4.02Å; L36-Y91 HydrophobicContact CG-CE1 4.24Å; N40-Y91 PolarHBondContact ND2-OH 3.48Å; F41-Y91 HydrophobicContact CB-CE1 4.19Å; F41-Y91 HydrophobicContact CB-CE2 4.44Å; F41-Y91 AromaticContact CD2-CD1 3.48Å; F41-Y91 HydrophobicContact CD2-CD1 3.48Å; F41-Y91 VanDerWaalsContact CD2-CD1 3.48Å; F41-Y91 AromaticContact CD2-CD2 3.82Å; F41-Y91 HydrophobicContact CD2-CD2 3.82Å; F41-Y91 AromaticContact CD2-CE1 3.82Å; F41-Y91 HydrophobicContact CD2-CE1 3.82Å; F41-Y91 HydrophobicContact CD2-CE2 4.13Å; F41-Y91 AromaticContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CD2-CG 3.47Å; F41-Y91 VanDerWaalsContact CD2-CG 3.47Å; F41-Y91 HydrophobicContact CE2-CD1 4Å; F41-Y91 HydrophobicContact CE2-CD2 4.48Å; F41-Y91 AromaticContact CE2-CG 3.85Å; F41-Y91 HydrophobicContact CE2-CG 3.85Å; F41-Y91 HydrophobicContact CG-CD1 4.4Å; F41-Y91 HydrophobicContact CG-CE1 4.36Å; F44-Y91 HydrophobicContact CB-CD2 3.84Å; F44-Y91 HydrophobicContact CB-CE2 4.06Å; F44-Y91 AromaticContact CD1-CD2 3.79Å; F44-Y91 HydrophobicContact CD1-CD2 3.79Å; F44-Y91 HydrophobicContact CD1-CG 4.24Å; F44-Y91 AromaticContact CD2-CD2 3.83Å; F44-Y91 HydrophobicContact CD2-CD2 3.83Å; F44-Y91 HydrophobicContact CE1-CD2 4.29Å; F44-Y91 HydrophobicContact CE1-CG 4.45Å; F44-Y91 HydrophobicContact CE2-CD2 4.29Å; F44-Y91 AromaticContact CG-CD2 3.54Å; F44-Y91 HydrophobicContact CG-CD2 3.54Å; F44-Y91 HydrophobicContact CG-CE2 4.25Å; F44-Y91 HydrophobicContact CG-CG 4.42Å; L87-Y91 PolarHBondContact O-N 3.12Å; T88-Y91 WeakPolarHBondContact O-CB 3.36Å; T88-Y91 PolarHBondContact O-N 3.35Å; T88-Y91 VanDerWaalsContact O-N 3.12Å; Y91-K93 VanDerWaalsContact C-N 3.27Å; Y91-K93 PolarHBondContact O-N 3.4Å; Y91-K94 PolarHBondContact O-N 3.31Å; Y91-K94 VanDerWaalsContact O-N 3.07Å; Y91-N95 WeakPolarHBondContact CD2-ND2 3.38Å; Y91-N95 WeakPolarHBondContact CE1-ND2 3.32Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.36Å; Y91-N95 PolarHBondContact O-N 2.66Å; Y91-N95 VanDerWaalsContact O-N 3.1Å; Y91-N95 PolarHBondContact O-ND2 2.56Å
92L97.4Very high96.7Very high3 Ų374.5 Ų74.52%0.01632%0.32CS..Hα-helixtrans-58.7-39178-64.2178.7000111.9L36 T88 N95 N96 L97 R98 L101 V103 L113L36-L92 HydrophobicContact CD1-CD2 4.32Å; T88-L92 WeakPolarHBondContact O-CG 3.24Å; T88-L92 PolarHBondContact O-N 3.18Å; L92-N95 PolarHBondContact O-N 2.96Å; L92-N96 PolarHBondContact O-N 3.38Å; L92-L97 HydrophobicContact CB-CB 4.31Å; L92-L97 HydrophobicContact CD2-CB 3.79Å; L92-L97 HydrophobicContact CD2-CD1 3.99Å; L92-L97 PolarHBondContact O-N 3.49Å; L92-R98 HydrophobicContact CB-CG 4.07Å; L92-L101 HydrophobicContact CD1-CB 4.23Å; L92-L101 HydrophobicContact CD2-CB 4.41Å; L92-L101 HydrophobicContact CD2-CD1 4.05Å; L92-V103 HydrophobicContact CD1-CG2 3.97Å; L92-L113 HydrophobicContact CD1-CD2 4.04Å; L92-L113 HydrophobicContact CD2-CD1 4.4Å
93K97Very high96.7Very high123 Ų12365.2 Ų65.254%0.53529%0.286SS..Hα-helixtrans-68.6-38.1175.7-174.155.8178.5173.80112.6K89 K90 Y91 N95 N96 R98K89-K93 PolarHBondContact O-N 3.25Å; K90-K93 PolarHBondContact O-N 2.98Å; Y91-K93 VanDerWaalsContact C-N 3.27Å; Y91-K93 PolarHBondContact O-N 3.4Å; K93-N95 PolarHBondContact O-N 2.84Å; K93-N96 PolarHBondContact O-N 3.31Å; K93-N96 PolarHBondContact O-OD1 3.04Å; K93-R98 HydrophobicContact CB-CG 4.28Å
94K97Very high96.6Very high155 Ų15564.6 Ų64.667%0.67429%0.288SS*.Hα-helixtrans-63.7-32.2179.1-172.3-175.6175.6-168.80111.9K90 Y91K90-K94 PolarHBondContact O-N 2.95Å; Y91-K94 PolarHBondContact O-N 3.31Å; Y91-K94 VanDerWaalsContact O-N 3.07Å
95N96.1Very high96.7Very high63 Ų6367.2 Ų67.234%0.33731%0.309SS..THydrogen-bonded Turntrans-103.715.2-178.6-57.3-76.8000113Y91 L92 K93 L97Y91-N95 WeakPolarHBondContact CD2-ND2 3.38Å; Y91-N95 WeakPolarHBondContact CE1-ND2 3.32Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.36Å; Y91-N95 PolarHBondContact O-N 2.66Å; Y91-N95 VanDerWaalsContact O-N 3.1Å; Y91-N95 PolarHBondContact O-ND2 2.56Å; L92-N95 PolarHBondContact O-N 2.96Å; K93-N95 PolarHBondContact O-N 2.84Å; N95-L97 HydrophobicContact CB-CD1 4.19Å; N95-L97 HydrophobicContact CB-CG 4.14Å; N95-L97 PolarHBondContact O-N 3.03Å; N95-L97 VanDerWaalsContact O-N 3.16Å
96N95.1Very high96.6Very high116 Ų11666.4 Ų66.462%0.6231%0.312SS*.THydrogen-bonded Turntrans54.728.6-178.8-67.612000115.8L92 K93L92-N96 PolarHBondContact O-N 3.38Å; K93-N96 PolarHBondContact O-N 3.31Å; K93-N96 PolarHBondContact O-OD1 3.04Å
97L95.3Very high96.5Very high11 Ų1165.6 Ų65.66%0.05832%0.316CS..  trans-92.88.5-179.1-62.7176.2000113.8L36 L92 N95 D99 W100 L101L36-L97 HydrophobicContact CD1-CD1 4.34Å; L92-L97 HydrophobicContact CB-CB 4.31Å; L92-L97 HydrophobicContact CD2-CB 3.79Å; L92-L97 HydrophobicContact CD2-CD1 3.99Å; L92-L97 PolarHBondContact O-N 3.49Å; N95-L97 HydrophobicContact CB-CD1 4.19Å; N95-L97 HydrophobicContact CB-CG 4.14Å; N95-L97 PolarHBondContact O-N 3.03Å; N95-L97 VanDerWaalsContact O-N 3.16Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.33Å; L97-W100 HydrophobicContact CD2-CE3 3.69Å; L97-W100 HydrophobicContact CD2-CZ3 3.74Å; L97-L101 HydrophobicContact CB-CD1 4.3Å; L97-L101 HydrophobicContact CD1-CD1 4.42Å; L97-L101 PolarHBondContact O-N 2.71Å
98R94.9Very high96.3Very high110 Ų11074.5 Ų74.542%0.41535%0.354SS..THydrogen-bonded Turntrans-74.1-23.5-172.9-88.5-149.9-177.7167.77.7114.5K89 L92 K93 W100 F116K89-R98 PolarHBondContact O-NE 3.09Å; K89-R98 PolarHBondContact O-NH2 3.08Å; L92-R98 HydrophobicContact CB-CG 4.07Å; K93-R98 HydrophobicContact CB-CG 4.28Å; R98-W100 VanDerWaalsContact C-N 3.32Å; R98-F116 WeakPolarHBondContact O-CE2 3.32Å
99D91.9Very high96.3Very high125 Ų12579.8 Ų79.867%0.66838%0.379SS*.THydrogen-bonded Turntrans-82.5-22.5-176.5-52.6-32.1000110.3L97 F116L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.33Å; D99-F116 VanDerWaalsContact O-CD2 3.26Å; D99-F116 WeakPolarHBondContact O-CD2 3.26Å
100W92.3Very high96.3Very high143 Ų14376.7 Ų76.754%0.54237%0.368SS..THydrogen-bonded Turntrans-98.1-38178.4-52.7-38.5000112.8L97 R98 Y115 F116L97-W100 HydrophobicContact CD2-CE3 3.69Å; L97-W100 HydrophobicContact CD2-CZ3 3.74Å; R98-W100 VanDerWaalsContact C-N 3.32Å; W100-Y115 HydrophobicContact CB-CD1 4.34Å; W100-Y115 HydrophobicContact CB-CE1 4.37Å; W100-Y115 VanDerWaalsContact O-CA 3.25Å; W100-Y115 WeakPolarHBondContact O-CA 3.39Å; W100-Y115 WeakPolarHBondContact O-CD1 3.37Å; W100-F116 PolarHBondContact O-N 3.25Å; W100-F116 VanDerWaalsContact O-N 3.13Å
101L95.9Very high96.3Very high4 Ų474.3 Ų74.32%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-117.9136.2-168.7-60.3174.3000113.6P30 I35 L92 L97 L113 R114 Y115P30-L101 HydrophobicContact CB-CD1 3.68Å; P30-L101 HydrophobicContact CB-CD2 4.22Å; P30-L101 HydrophobicContact CG-CD1 4.19Å; I35-L101 HydrophobicContact CD1-CD1 3.86Å; I35-L101 HydrophobicContact CD1-CD2 4.25Å; I35-L101 HydrophobicContact CD1-CG 4.23Å; L92-L101 HydrophobicContact CD1-CB 4.23Å; L92-L101 HydrophobicContact CD2-CB 4.41Å; L92-L101 HydrophobicContact CD2-CD1 4.05Å; L97-L101 HydrophobicContact CB-CD1 4.3Å; L97-L101 HydrophobicContact CD1-CD1 4.42Å; L97-L101 PolarHBondContact O-N 2.71Å; L101-L113 HydrophobicContact CD1-CD1 4.4Å; L101-R114 WeakPolarHBondContact CA-O 3.23Å; L101-Y115 HydrophobicContact CD2-CD1 3.73Å; L101-Y115 HydrophobicContact CD2-CE1 3.58Å; L101-Y115 HydrophobicContact CD2-CE2 4.46Å; L101-Y115 HydrophobicContact CD2-CG 4.21Å; L101-Y115 HydrophobicContact CG-CE1 4.48Å
102R96.4Very high96.2Very high98 Ų9875.5 Ų75.537%0.3736%0.363SS..EExtended strand (participates in β ladder)trans-119.5143.5170.456.6174.3-177178.22.6112.4V104 L113 R114 F116R102-V104 HydrophobicContact CG-CG2 3.94Å; R102-L113 WeakPolarHBondContact O-CA 3.33Å; R102-R114 HydrophobicContact CG-CB 4.27Å; R102-R114 VanDerWaalsContact CG-O 3.26Å; R102-R114 WeakPolarHBondContact CG-O 3.35Å; R102-R114 PolarHBondContact N-O 3.47Å; R102-R114 PolarHBondContact O-N 3.1Å; R102-F116 HydrophobicContact CB-CE1 4.09Å; R102-F116 HydrophobicContact CB-CE2 4.04Å; R102-F116 HydrophobicContact CB-CZ 3.7Å; R102-F116 HydrophobicContact CG-CE1 4.27Å; R102-F116 HydrophobicContact CG-CZ 4.29Å
103V97.8Very high96.2Very high7 Ų775.4 Ų75.44%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-89.4110.1175.1-168.50000110.1K85 T88 K89 L92 Y111 L113K85-V103 WeakPolarHBondContact CE-O 3.42Å; K85-V103 HydrophobicContact CG-CB 4.24Å; K85-V103 HydrophobicContact CG-CG1 4.01Å; K85-V103 PolarHBondContact NZ-O 3.39Å; T88-V103 HydrophobicContact CG2-CG2 3.76Å; K89-V103 HydrophobicContact CG-CG2 3.91Å; L92-V103 HydrophobicContact CD1-CG2 3.97Å; V103-Y111 HydrophobicContact CG1-CD1 3.93Å; V103-Y111 HydrophobicContact CG1-CD2 4.5Å; V103-Y111 HydrophobicContact CG1-CG 3.92Å; V103-L113 HydrophobicContact CB-CD2 4.3Å; V103-L113 HydrophobicContact CG2-CD2 3.67Å
104V97.2Very high96.1Very high39 Ų3974.2 Ų74.224%0.23636%0.355CS..EExtended strand (participates in β ladder)trans-114.8139.3-176.7-1780000110R102 S106 Y111 E112 R114R102-V104 HydrophobicContact CG-CG2 3.94Å; V104-S106 PolarHBondContact O-N 3Å; V104-Y111 CarbonylContact O-C 3.57Å; V104-Y111 WeakPolarHBondContact O-CA 3.24Å; V104-Y111 WeakPolarHBondContact O-CD1 3.35Å; V104-E112 PolarHBondContact N-O 3.48Å; V104-E112 PolarHBondContact O-N 3.07Å; V104-R114 HydrophobicContact CB-CG 4.49Å; V104-R114 HydrophobicContact CG2-CB 4.39Å; V104-R114 HydrophobicContact CG2-CG 4.38Å
105A97.9Very high96Very high55 Ų5571 Ų7146%0.45534%0.339SS..EExtended strand (participates in β ladder)trans-78.9116.4173.400000108.6Y111A105-Y111 HydrophobicContact CB-CD1 3.94Å; A105-Y111 HydrophobicContact CB-CE1 3.75Å
106S96.6Very high95.8Very high48 Ų4872.5 Ų72.534%0.33634%0.343SS..SBendtrans-80.8-49.5170.647.60000110.4V104 T110V104-S106 PolarHBondContact O-N 3Å; S106-T110 PolarHBondContact N-O 3.21Å; S106-T110 VanDerWaalsContact OG-CB 3.29Å; S106-T110 WeakPolarHBondContact OG-CB 3.19Å; S106-T110 VanDerWaalsContact OG-CG2 3.29Å; S106-T110 WeakPolarHBondContact OG-CG2 3.34Å; S106-T110 PolarHBondContact OG-O 3.47Å
107D95.9Very high95.2Very high105 Ų10575.1 Ų75.156%0.56135%0.351SS*.SBendtrans-127.1-179.3179.8-59.4-52.8000112K81 E109 T110K81-D107 PolarHBondContact NZ-O 3.16Å; D107-E109 PolarHBondContact O-N 2.83Å; D107-T110 PolarHBondContact N-O 2.65Å; D107-T110 PolarHBondContact OD2-OG1 2.93Å
108K95.7Very high94.2Very high190 Ų19081.3 Ų81.383%0.82638%0.383SS*.SBendtrans-57.9-35.9172.8-170.1175.5179.2-179.50112.5K81K81-K108 WeakPolarHBondContact CD-O 3.17Å; K81-K108 PolarHBondContact NZ-O 2.84Å
109E96.3Very high92.6Very high111 Ų11179.6 Ų79.652%0.51939%0.388SS..SBendtrans-107-10.1-175.2-63.3-177.3169.300113.6F23 T24 D107F23-E109 WeakPolarHBondContact CA-O 3.18Å; F23-E109 HydrophobicContact CD1-CB 4.3Å; F23-E109 WeakPolarHBondContact CD1-O 3.31Å; T24-E109 PolarHBondContact N-O 3.18Å; T24-E109 VanDerWaalsContact N-O 3.13Å; D107-E109 PolarHBondContact O-N 2.83Å
110T97.9Very high91Very high27 Ų2782.1 Ų82.117%0.16640%0.396CS..EExtended strand (participates in β ladder)trans-115.6136.2-169.7-46.30000112.1T24 K81 S106 D107T24-T110 HydrophobicContact CG2-CG2 4.38Å; T24-T110 CarbonylContact O-C 3.56Å; T24-T110 WeakPolarHBondContact O-CA 3.18Å; K81-T110 VanDerWaalsContact CE-O 3.28Å; K81-T110 WeakPolarHBondContact CE-O 3.49Å; K81-T110 PolarHBondContact NZ-O 3.4Å; S106-T110 PolarHBondContact N-O 3.21Å; S106-T110 VanDerWaalsContact OG-CB 3.29Å; S106-T110 WeakPolarHBondContact OG-CB 3.19Å; S106-T110 VanDerWaalsContact OG-CG2 3.29Å; S106-T110 WeakPolarHBondContact OG-CG2 3.34Å; S106-T110 PolarHBondContact OG-O 3.47Å; D107-T110 PolarHBondContact N-O 2.65Å; D107-T110 PolarHBondContact OD2-OG1 2.93Å
111Y98.6Very high89.3Confident21 Ų2181.6 Ų81.68%0.08240%0.403CS..EExtended strand (participates in β ladder)trans-111.3155.5163-78.3-59.4000110T24 L25 D26 K81 K85 V103 V104 A105T24-Y111 PolarHBondContact O-N 3.31Å; L25-Y111 CarbonylContact C-O 3.5Å; L25-Y111 WeakPolarHBondContact CA-O 3.1Å; L25-Y111 VanDerWaalsContact CD2-CB 3.49Å; L25-Y111 HydrophobicContact CD2-CD2 4.47Å; L25-Y111 HydrophobicContact CD2-CG 4.41Å; D26-Y111 PolarHBondContact N-O 2.98Å; K81-Y111 HydrophobicContact CB-CE2 4.38Å; K81-Y111 HydrophobicContact CD-CD2 4.35Å; K81-Y111 HydrophobicContact CD-CE2 3.88Å; K81-Y111 VanDerWaalsContact CE-CE2 3.43Å; K81-Y111 HydrophobicContact CG-CD2 3.86Å; K81-Y111 HydrophobicContact CG-CE2 3.16Å; K81-Y111 VanDerWaalsContact O-CE2 3.28Å; K81-Y111 WeakPolarHBondContact O-CE2 3.41Å; K85-Y111 HydrophobicContact CB-CD2 4.38Å; K85-Y111 HydrophobicContact CB-CE1 4.36Å; K85-Y111 HydrophobicContact CB-CE2 3.61Å; K85-Y111 HydrophobicContact CD-CE1 3.88Å; K85-Y111 HydrophobicContact CG-CE1 4.44Å; K85-Y111 HydrophobicContact CG-CE2 4.48Å; V103-Y111 HydrophobicContact CG1-CD1 3.93Å; V103-Y111 HydrophobicContact CG1-CD2 4.5Å; V103-Y111 HydrophobicContact CG1-CG 3.92Å; V104-Y111 CarbonylContact O-C 3.57Å; V104-Y111 WeakPolarHBondContact O-CA 3.24Å; V104-Y111 WeakPolarHBondContact O-CD1 3.35Å; A105-Y111 HydrophobicContact CB-CD1 3.94Å; A105-Y111 HydrophobicContact CB-CE1 3.75Å
112E97.5Very high87.2Confident31 Ų3188.5 Ų88.515%0.14544%0.44CS..EExtended strand (participates in β ladder)trans-132.8144.2177.9-174.2-174.2177.500109.2D26 H29 V104 R114D26-E112 HydrophobicContact CB-CB 4.36Å; D26-E112 HydrophobicContact CB-CG 4.25Å; D26-E112 WeakPolarHBondContact O-CA 3.41Å; H29-E112 IonicContact CD2-OE1 2.65Å; H29-E112 IonicContact NE2-OE1 2.8Å; V104-E112 PolarHBondContact N-O 3.48Å; V104-E112 PolarHBondContact O-N 3.07Å; E112-R114 HydrophobicContact CG-CG 4.11Å; E112-R114 IonicContact OE1-NE 3.59Å; E112-R114 IonicContact OE2-CZ 3.25Å; E112-R114 VanDerWaalsContact OE2-CZ 3.25Å; E112-R114 IonicContact OE2-NE 3.72Å; E112-R114 PolarHBondContact OE2-NE 3.36Å; E112-R114 IonicContact OE2-NH2 2.78Å; E112-R114 PolarHBondContact OE2-NH2 3.28Å
113L96.7Very high85.1Confident1 Ų192.6 Ų92.61%0.00546%0.464CS..EExtended strand (participates in β ladder)trans-88.7118166.5-66.1-173.1000109.7D26 L27 P30 L36 T88 L92 L101 R102 V103D26-L113 PolarHBondContact O-N 3.39Å; L27-L113 HydrophobicContact CD2-CD1 3.42Å; L27-L113 VanDerWaalsContact CD2-CD1 3.42Å; L27-L113 HydrophobicContact CD2-CG 3.79Å; P30-L113 HydrophobicContact CG-CB 3.97Å; P30-L113 HydrophobicContact CG-CD1 3.79Å; L36-L113 HydrophobicContact CD1-CD1 3.83Å; T88-L113 HydrophobicContact CG2-CD2 3.92Å; L92-L113 HydrophobicContact CD1-CD2 4.04Å; L92-L113 HydrophobicContact CD2-CD1 4.4Å; L101-L113 HydrophobicContact CD1-CD1 4.4Å; R102-L113 WeakPolarHBondContact O-CA 3.33Å; V103-L113 HydrophobicContact CB-CD2 4.3Å; V103-L113 HydrophobicContact CG2-CD2 3.67Å
114R95.6Very high82.9Confident99 Ų99100.6 Ų100.637%0.37450%0.501SS..EExtended strand (participates in β ladder)trans-117.1148.2177.5-63.1-170.5-179.3-170.5-2.3110.6L101 R102 V104 E112L101-R114 WeakPolarHBondContact CA-O 3.23Å; R102-R114 HydrophobicContact CG-CB 4.27Å; R102-R114 VanDerWaalsContact CG-O 3.26Å; R102-R114 WeakPolarHBondContact CG-O 3.35Å; R102-R114 PolarHBondContact N-O 3.47Å; R102-R114 PolarHBondContact O-N 3.1Å; V104-R114 HydrophobicContact CB-CG 4.49Å; V104-R114 HydrophobicContact CG2-CB 4.39Å; V104-R114 HydrophobicContact CG2-CG 4.38Å; E112-R114 HydrophobicContact CG-CG 4.11Å; E112-R114 IonicContact OE1-NE 3.59Å; E112-R114 IonicContact OE2-CZ 3.25Å; E112-R114 VanDerWaalsContact OE2-CZ 3.25Å; E112-R114 IonicContact OE2-NE 3.72Å; E112-R114 PolarHBondContact OE2-NE 3.36Å; E112-R114 IonicContact OE2-NH2 2.78Å; E112-R114 PolarHBondContact OE2-NH2 3.28Å
115Y94.7Very high80.5Confident86 Ų86103.7 Ų103.734%0.33752%0.524SS..EExtended strand (participates in β ladder)trans-67.7155.1168.5-70.8-76.3000111.5H29 D33 I35 W100 L101H29-Y115 HydrophobicContact CB-CE2 4.02Å; D33-Y115 WeakPolarHBondContact OD2-CE2 3.48Å; D33-Y115 PolarHBondContact OD2-OH 3.27Å; I35-Y115 HydrophobicContact CD1-CE1 4.01Å; I35-Y115 VanDerWaalsContact CD1-OH 3.24Å; I35-Y115 WeakPolarHBondContact CD1-OH 3.45Å; W100-Y115 HydrophobicContact CB-CD1 4.34Å; W100-Y115 HydrophobicContact CB-CE1 4.37Å; W100-Y115 VanDerWaalsContact O-CA 3.25Å; W100-Y115 WeakPolarHBondContact O-CA 3.39Å; W100-Y115 WeakPolarHBondContact O-CD1 3.37Å; L101-Y115 HydrophobicContact CD2-CD1 3.73Å; L101-Y115 HydrophobicContact CD2-CE1 3.58Å; L101-Y115 HydrophobicContact CD2-CE2 4.46Å; L101-Y115 HydrophobicContact CD2-CG 4.21Å; L101-Y115 HydrophobicContact CG-CE1 4.48Å
116F91.9Very high78.2Confident96 Ų96110.4 Ų110.442%0.42155%0.546SS..  trans-73137.3158.9-69.1-81.1000108.9R98 D99 W100 R102 I118R98-F116 WeakPolarHBondContact O-CE2 3.32Å; D99-F116 VanDerWaalsContact O-CD2 3.26Å; D99-F116 WeakPolarHBondContact O-CD2 3.26Å; W100-F116 PolarHBondContact O-N 3.25Å; W100-F116 VanDerWaalsContact O-N 3.13Å; R102-F116 HydrophobicContact CB-CE1 4.09Å; R102-F116 HydrophobicContact CB-CE2 4.04Å; R102-F116 HydrophobicContact CB-CZ 3.7Å; R102-F116 HydrophobicContact CG-CE1 4.27Å; R102-F116 HydrophobicContact CG-CZ 4.29Å; F116-I118 PolarHBondContact O-N 3.03Å
117Q81.9Confident76Confident171 Ų171112.4 Ų112.480%0.79957%0.565SS**  trans-82.4104.9165.7-69.6171.8-87.900105.5S119Q117-S119 PolarHBondContact O-N 2.88Å
118I73.8Confident73.6Confident141 Ų141115 Ų11572%0.72358%0.579SS**  trans-82.298167.9-55.2172.2000104.3F116 Q120F116-I118 PolarHBondContact O-N 3.03Å; I118-Q120 PolarHBondContact O-N 3.07Å
119S62.4Low71Confident74 Ų74118.9 Ų118.952%0.51760%0.6SS.*  trans-65.5126.4162.2-61.10000106.2Q117 D121Q117-S119 PolarHBondContact O-N 2.88Å; S119-D121 PolarHBondContact O-N 3.39Å
120Q58.2Low69.7Low178 Ų178119.3 Ų119.383%0.83260%0.604SS**G310 helixtrans-62.5-4.8176.6-92.1-179.411.300113.5I118 D122I118-Q120 PolarHBondContact O-N 3.07Å; Q120-D122 PolarHBondContact O-N 3.22Å
121D55.4Low68.3Low132 Ų132124.2 Ų124.271%0.70663%0.628SS**G310 helixtrans-75.9-8.8-175.8-72.2-68.3000115.7S119S119-D121 PolarHBondContact O-N 3.39Å
122D53.2Low66.6Low148 Ų148129.9 Ų129.979%0.79166%0.658SS**G310 helixtrans-90.20.7-179.9-83-42.1000114Q120Q120-D122 PolarHBondContact O-N 3.22Å
123E51.7Low64.8Low185 Ų185135.7 Ų135.786%0.86469%0.688SS**SBendtrans-97.6-2.8179.2-113.3175.4114.800114.4
124E51.1Low62.8Low175 Ų175144.1 Ų144.182%0.81873%0.731SS**SBendtrans-100.62.7-179.5-160.5164.3-165.100114.3
125S47Very low60.6Low104 Ų104147.1 Ų147.173%0.72776%0.755SS**SBendtrans-104.76-173.7-61.30000116.7
126E50Low58.1Low196 Ų196151.5 Ų151.592%0.91678%0.784SS**  trans-112.136.6176.1-67.8-163.5146.700113.5
127A50.4Low55.5Low90 Ų90155.8 Ų155.874%0.74481%0.812SS**  trans-118.257.7169.600000111.6
128D46.1Very low53.3Low159 Ų159154.5 Ų154.585%0.8581%0.813SS**  trans-165.483.6155.6-143.9-113.3000111.4
129E40.7Very low51.5Low272 Ų272155.7 Ų155.7100%1.27182%0.822SS**  trans-173.80133.1-111.5-174.2152.200111.9

Retrieved 129 of 129 residues in 298 ms (Link to these results)

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