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Pleckstrin homology-like domain family A member 3

p53/TP53-regulated repressor of Akt/AKT1 signaling. Represses AKT1 by preventing AKT1-binding to membrane lipids, thereby inhibiting AKT1 translocation to the cellular membrane and activation. Contributes to p53/TP53-dependent apoptosis by repressing AKT1 activity. Its direct transcription regulation by p53/TP53 may explain how p53/TP53 can negatively regulate AKT1. May act as a tumor suppressor.

AlphaFold DB , UniProt , Accession Q9Y5J5, Species HUMAN (Homo sapiens, Human), Gene PHLDA3, Length 127 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
1M33.9Very low68.2Low243 Ų24396.5 Ų96.5100%1.19761%0.606SS**  0100.80-66.6175.583.600107.8A3M1-A3 PolarHBondContact O-N 3.49Å
2T39.9Very low70.5Confident148 Ų14896.9 Ų96.991%0.90860%0.595SS**  trans-70.6103.7174.1-13.30000106.5A4T2-A4 PolarHBondContact O-N 3.1Å
3A44.5Very low72.4Confident88 Ų8891 Ų9173%0.72757%0.565SS**  trans-48.8120.216700000106.2M1 A5M1-A3 PolarHBondContact O-N 3.49Å; A3-A5 PolarHBondContact O-N 3.47Å
4A47.8Very low74Confident84 Ų8488.1 Ų88.169%0.69455%0.547SS*.  trans-60.796.2175.800000105.8T2 T6T2-A4 PolarHBondContact O-N 3.1Å; A4-T6 PolarHBondContact O-N 3.46Å
5A53.3Low75.5Confident69 Ų6982.2 Ų82.257%0.5751%0.51SS*.  trans-46.8117.5176.300000106.1A3 A7A3-A5 PolarHBondContact O-N 3.47Å; A5-A7 PolarHBondContact O-N 3.27Å
6T65.6Low76.8Confident138 Ų13879.1 Ų79.185%0.84749%0.488SS*.  trans-54.3106.7179.431.20000106.2A4 T8A4-T6 PolarHBondContact O-N 3.46Å; T6-T8 PolarHBondContact O-N 3.47Å
7A81.2Confident78Confident30 Ų3076.6 Ų76.625%0.24847%0.469CS..PPolyproline II helixtrans-59.2129.4-176.300000108A5 V9 T34 R36A5-A7 PolarHBondContact O-N 3.27Å; A7-V9 PolarHBondContact O-N 3.38Å; A7-T34 HydrophobicContact CB-CG2 4.28Å; A7-R36 HydrophobicContact CB-CG 4.17Å
8T93.2Very high79.1Confident81 Ų8177.3 Ų77.350%0.49746%0.461SS..PPolyproline II helixtrans-54127.1-179.2-58.40000109.8T6 T34 E35T6-T8 PolarHBondContact O-N 3.47Å; T8-T34 VanDerWaalsContact O-CA 3.26Å; T8-T34 WeakPolarHBondContact O-CA 3.37Å; T8-E35 PolarHBondContact O-N 2.99Å
9V96.2Very high79.8Confident80 Ų8074.5 Ų74.549%0.48545%0.446SS..EExtended strand (participates in β ladder)trans-76.7124174.4177.10000108.2A7 V32A7-V9 PolarHBondContact O-N 3.38Å; V9-V32 HydrophobicContact CB-CG1 4.5Å; V9-V32 HydrophobicContact CG1-CG1 3.93Å; V9-V32 HydrophobicContact CG2-CG1 3.87Å
10L96.7Very high80Confident68 Ų6874.9 Ų74.936%0.35647%0.466SS..EExtended strand (participates in β ladder)trans-93.6-35.9178.2-57.9178.4000111.4L33 E35L10-L33 HydrophobicContact CB-CD2 4.12Å; L10-L33 HydrophobicContact CB-CG 4.09Å; L10-L33 HydrophobicContact CD1-CD2 4.47Å; L10-L33 HydrophobicContact CD1-CG 4.31Å; L10-L33 PolarHBondContact N-O 2.98Å; L10-E35 HydrophobicContact CD1-CG 4.41Å; L10-E35 HydrophobicContact CD2-CG 4.13Å; L10-E35 HydrophobicContact CG-CG 4.39Å
11K97.8Very high80.2Confident32 Ų3273.2 Ų73.214%0.13946%0.463CS..EExtended strand (participates in β ladder)trans-161.7145.9173.9170.6174.2179.877.10111.2L33 D91 W94K11-L33 HydrophobicContact CB-CB 4.41Å; K11-L33 PolarHBondContact N-O 3.26Å; K11-L33 WeakPolarHBondContact O-CB 3.36Å; K11-L33 PolarHBondContact O-N 2.83Å; K11-D91 IonicContact NZ-OD1 2.89Å; K11-D91 PolarHBondContact NZ-OD1 2.66Å; K11-D91 IonicContact NZ-OD2 2.64Å; K11-W94 HydrophobicContact CD-CD2 3.97Å; K11-W94 HydrophobicContact CD-CE3 4.2Å; K11-W94 HydrophobicContact CD-CG 4.41Å; K11-W94 HydrophobicContact CD-CH2 4.45Å; K11-W94 HydrophobicContact CD-CZ2 4.23Å; K11-W94 HydrophobicContact CD-CZ3 4.44Å; K11-W94 HydrophobicContact CG-CH2 4.06Å; K11-W94 HydrophobicContact CG-CZ2 4.09Å; K11-W94 HydrophobicContact CG-CZ3 4.33Å
12E96.3Very high82.7Confident102 Ų10270.4 Ų70.448%0.47745%0.452SS..EExtended strand (participates in β ladder)trans-126.3148.2169.5178.5162.5-160.600109.1R30 C31 V32E12-R30 IonicContact OE1-CZ 3.82Å; E12-R30 IonicContact OE1-NE 2.69Å; E12-R30 PolarHBondContact OE1-NE 3.46Å; E12-R30 IonicContact OE1-NH2 3.55Å; E12-C31 VanDerWaalsContact CA-O 3.3Å; E12-C31 WeakPolarHBondContact CA-O 3.4Å; E12-V32 HydrophobicContact CB-CG2 4.45Å; E12-V32 HydrophobicContact CG-CG2 3.99Å
13G95.1Very high85Confident20 Ų2069.8 Ų69.821%0.20644%0.442CS..EExtended strand (participates in β ladder)trans166.6-149177.900000111.8C31G13-C31 PolarHBondContact N-O 3.41Å; G13-C31 PolarHBondContact O-N 2.96Å
14V94.5Very high87.2Confident50 Ų5069.4 Ų69.430%0.30343%0.426SS..EExtended strand (participates in β ladder)trans-120.9125.8-176.7178.30000110.5R28 K29V14-R28 HydrophobicContact CG1-CB 4.25Å; V14-R28 HydrophobicContact CG1-CG 4.43Å; V14-K29 WeakPolarHBondContact CA-O 3.49Å
15L96.9Very high89.4Confident0 Ų069.8 Ų69.80%042%0.416CS..EExtended strand (participates in β ladder)trans-113.7148.8165-69.9173.1000110.1K29 C31 L38 F73 F85 C87 W94L15-K29 PolarHBondContact N-O 3.36Å; L15-K29 VanDerWaalsContact N-O 3.09Å; L15-K29 PolarHBondContact O-N 3.21Å; L15-C31 HydrophobicContact CD1-CB 4.33Å; L15-C31 HydrophobicContact CG-CB 4.37Å; L15-L38 HydrophobicContact CD1-CD1 4.39Å; L15-L38 HydrophobicContact CD1-CD2 3.89Å; L15-F73 HydrophobicContact CD1-CZ 4.11Å; L15-F73 HydrophobicContact CD2-CE1 4.1Å; L15-F73 HydrophobicContact CD2-CZ 3.92Å; L15-F85 HydrophobicContact CB-CD1 4.08Å; L15-F85 HydrophobicContact CD1-CD1 4.06Å; L15-F85 HydrophobicContact CD1-CE1 4.43Å; L15-C87 HydrophobicContact CD2-CB 3.65Å; L15-W94 HydrophobicContact CD1-CD2 3.81Å; L15-W94 HydrophobicContact CD1-CE3 3.59Å; L15-W94 HydrophobicContact CD1-CG 4.36Å; L15-W94 HydrophobicContact CD1-CH2 4.48Å; L15-W94 HydrophobicContact CD1-CZ3 3.94Å; L15-W94 HydrophobicContact CD2-CB 3.84Å; L15-W94 HydrophobicContact CD2-CD2 3.55Å; L15-W94 HydrophobicContact CD2-CE3 4.22Å; L15-W94 HydrophobicContact CD2-CG 3.37Å; L15-W94 HydrophobicContact CG-CD2 3.65Å; L15-W94 HydrophobicContact CG-CE3 3.93Å; L15-W94 HydrophobicContact CG-CG 4.05Å; L15-W94 HydrophobicContact CG-CH2 4.41Å; L15-W94 HydrophobicContact CG-CZ2 4.15Å; L15-W94 HydrophobicContact CG-CZ3 4.3Å
16E96.8Very high91.4Very high32 Ų3269.8 Ų69.815%0.1540%0.401CS..EExtended strand (participates in β ladder)trans-97123.4165.2-61.1-164140.300109.4W26 K27 R28 F85 R86E16-W26 HydrophobicContact CB-CB 4.24Å; E16-W26 HydrophobicContact CB-CE3 4.18Å; E16-K27 WeakPolarHBondContact CA-O 3.34Å; E16-R28 HydrophobicContact CG-CG 3.81Å; E16-R28 WeakPolarHBondContact OE1-CG 3.35Å; E16-F85 CarbonylContact O-C 3.48Å; E16-F85 VanDerWaalsContact O-CA 3.27Å; E16-F85 WeakPolarHBondContact O-CA 3.42Å; E16-R86 HydrophobicContact CB-CG 3.87Å; E16-R86 PolarHBondContact N-O 2.88Å; E16-R86 PolarHBondContact O-N 3.15Å; E16-R86 IonicContact OE2-CZ 2.82Å; E16-R86 IonicContact OE2-NE 2.66Å; E16-R86 PolarHBondContact OE2-NE 2.84Å; E16-R86 IonicContact OE2-NH2 2.68Å; E16-R86 PolarHBondContact OE2-NH2 2.99Å
17K97.2Very high92.8Very high38 Ų3868.3 Ų68.317%0.16538%0.383CS..EExtended strand (participates in β ladder)trans-101.4133.9176.1176.5177.3165.7164.50109.9K27 K29 L40 I83 F85K17-K27 PolarHBondContact N-O 3.34Å; K17-K27 PolarHBondContact O-N 2.97Å; K17-K29 HydrophobicContact CB-CG 4.32Å; K17-L40 HydrophobicContact CD-CD1 3.93Å; K17-I83 HydrophobicContact CD-CG2 4.08Å; K17-I83 HydrophobicContact CG-CG2 4.26Å; K17-F85 HydrophobicContact CB-CD1 3.93Å; K17-F85 HydrophobicContact CB-CE1 3.68Å; K17-F85 HydrophobicContact CB-CZ 4.45Å; K17-F85 HydrophobicContact CD-CE1 4.14Å; K17-F85 HydrophobicContact CD-CZ 4.14Å; K17-F85 HydrophobicContact CG-CD1 4.38Å; K17-F85 HydrophobicContact CG-CE1 3.93Å; K17-F85 HydrophobicContact CG-CZ 4.21Å
18R96.7Very high93.4Very high88 Ų8874.7 Ų74.733%0.33240%0.4SS..EExtended strand (participates in β ladder)trans-71132.4171-156.1170.276.7-150.3-9.3110.8Q24 W26 D84R18-Q24 HydrophobicContact CG-CB 4.44Å; R18-W26 HydrophobicContact CB-CD2 4.4Å; R18-W26 HydrophobicContact CB-CE3 3.96Å; R18-W26 HydrophobicContact CB-CH2 3.98Å; R18-W26 HydrophobicContact CB-CZ2 4.4Å; R18-W26 HydrophobicContact CB-CZ3 3.73Å; R18-W26 HydrophobicContact CG-CH2 4.44Å; R18-W26 HydrophobicContact CG-CZ2 4.38Å; R18-D84 HydrophobicContact CB-CB 4.03Å; R18-D84 IonicContact CZ-OD2 2.7Å; R18-D84 PolarHBondContact N-O 3.37Å; R18-D84 IonicContact NE-OD2 2.65Å; R18-D84 IonicContact NH1-OD2 2.62Å; R18-D84 PolarHBondContact NH1-OD2 2.74Å; R18-D84 IonicContact NH2-OD2 2.76Å; R18-D84 PolarHBondContact NH2-OD2 3.26Å
19S92.4Very high93.5Very high24 Ų2471.5 Ų71.517%0.16838%0.38CS..PPolyproline II helixtrans-77.3136.1174.968.40000110.9G21 Q24 L25S19-G21 PolarHBondContact O-N 3.43Å; S19-G21 VanDerWaalsContact O-N 3.13Å; S19-Q24 PolarHBondContact O-NE2 3.48Å; S19-Q24 PolarHBondContact O-OE1 3.15Å; S19-L25 PolarHBondContact N-O 2.94Å; S19-L25 PolarHBondContact OG-N 2.79Å; S19-L25 PolarHBondContact OG-O 3.33Å
20G85.1Confident93.4Very high82 Ų8273.2 Ų73.285%0.84538%0.377SS*.SBendtrans-77.515.4177.700000115.9
21G83.6Confident93.4Very high40 Ų4070 Ų7041%0.41236%0.36SS..SBendtrans-98.3179.5-18000000113S19 L23 Q24S19-G21 PolarHBondContact O-N 3.43Å; S19-G21 VanDerWaalsContact O-N 3.13Å; G21-L23 PolarHBondContact O-N 3.28Å; G21-L23 VanDerWaalsContact O-N 3.08Å; G21-Q24 PolarHBondContact O-N 3.11Å; G21-Q24 PolarHBondContact O-NE2 3.33Å
22L86Confident93.3Very high185 Ų18568.8 Ų68.897%0.96936%0.356SS*.THydrogen-bonded Turntrans-49.1-37.4179.8-74.9156.2000113.9Q24L22-Q24 PolarHBondContact O-N 3.47Å
23L88Confident93.4Very high134 Ų13464 Ų6470%0.70233%0.333SS*.THydrogen-bonded Turntrans-82.2-8.4-174.5-59.3177.6000114.5G21 L25G21-L23 PolarHBondContact O-N 3.28Å; G21-L23 VanDerWaalsContact O-N 3.08Å; L23-L25 HydrophobicContact CB-CD1 3.99Å; L23-L25 HydrophobicContact CB-CD2 4.28Å; L23-L25 HydrophobicContact CB-CG 3.71Å; L23-L25 HydrophobicContact CD1-CD1 4.22Å; L23-L25 WeakPolarHBondContact O-CD2 3.37Å; L23-L25 WeakPolarHBondContact O-CG 3.43Å; L23-L25 PolarHBondContact O-N 3.29Å
24Q90.6Very high93.5Very high80 Ų8063.4 Ų63.437%0.37433%0.326SS..  trans38.439.6178.7-65-65.1-48.300115.1R18 S19 G21 L22R18-Q24 HydrophobicContact CG-CB 4.44Å; S19-Q24 PolarHBondContact O-NE2 3.48Å; S19-Q24 PolarHBondContact O-OE1 3.15Å; G21-Q24 PolarHBondContact O-N 3.11Å; G21-Q24 PolarHBondContact O-NE2 3.33Å; L22-Q24 PolarHBondContact O-N 3.47Å
25L94.6Very high93.6Very high92 Ų9263.9 Ų63.948%0.48233%0.325SS..  trans-78.2145.4-174-59.9175.9000111.6S19 L23S19-L25 PolarHBondContact N-O 2.94Å; S19-L25 PolarHBondContact OG-N 2.79Å; S19-L25 PolarHBondContact OG-O 3.33Å; L23-L25 HydrophobicContact CB-CD1 3.99Å; L23-L25 HydrophobicContact CB-CD2 4.28Å; L23-L25 HydrophobicContact CB-CG 3.71Å; L23-L25 HydrophobicContact CD1-CD1 4.22Å; L23-L25 WeakPolarHBondContact O-CD2 3.37Å; L23-L25 WeakPolarHBondContact O-CG 3.43Å; L23-L25 PolarHBondContact O-N 3.29Å
26W95.4Very high93.5Very high70 Ų7069.7 Ų69.727%0.26535%0.347SS..EExtended strand (participates in β ladder)trans-80.2119.2169.2-64.8101.5000110.1E16 R18 Y72 D84 R86E16-W26 HydrophobicContact CB-CB 4.24Å; E16-W26 HydrophobicContact CB-CE3 4.18Å; R18-W26 HydrophobicContact CB-CD2 4.4Å; R18-W26 HydrophobicContact CB-CE3 3.96Å; R18-W26 HydrophobicContact CB-CH2 3.98Å; R18-W26 HydrophobicContact CB-CZ2 4.4Å; R18-W26 HydrophobicContact CB-CZ3 3.73Å; R18-W26 HydrophobicContact CG-CH2 4.44Å; R18-W26 HydrophobicContact CG-CZ2 4.38Å; W26-Y72 HydrophobicContact CH2-CD1 4.02Å; W26-Y72 HydrophobicContact CH2-CE1 4.22Å; W26-Y72 HydrophobicContact CZ2-CD1 4.01Å; W26-Y72 AromaticContact CZ2-CE1 3.78Å; W26-Y72 HydrophobicContact CZ2-CE1 3.78Å; W26-D84 HydrophobicContact CH2-CB 4.18Å; W26-R86 VanDerWaalsContact CD1-NH1 3.35Å; W26-R86 HydrophobicContact CD2-CG 4.02Å; W26-R86 HydrophobicContact CE3-CB 4.45Å; W26-R86 HydrophobicContact CE3-CG 3.67Å; W26-R86 HydrophobicContact CH2-CB 4.25Å; W26-R86 HydrophobicContact CH2-CG 4.23Å; W26-R86 HydrophobicContact CZ3-CB 4.07Å; W26-R86 HydrophobicContact CZ3-CG 3.8Å
27K94.6Very high93.6Very high107 Ų10768.2 Ų68.247%0.46534%0.34SS..EExtended strand (participates in β ladder)trans-111.8119.7179.7-64-173.1179.2-175.20109.9E16 K17 K29E16-K27 WeakPolarHBondContact CA-O 3.34Å; K17-K27 PolarHBondContact N-O 3.34Å; K17-K27 PolarHBondContact O-N 2.97Å; K27-K29 PolarHBondContact O-N 2.93Å
28R94.4Very high93.6Very high163 Ų16366.5 Ų66.562%0.61533%0.332SS*.EExtended strand (participates in β ladder)trans-60.2132.2171.6-66.7-178.574.21664.4110.5V14 E16V14-R28 HydrophobicContact CG1-CB 4.25Å; V14-R28 HydrophobicContact CG1-CG 4.43Å; E16-R28 HydrophobicContact CG-CG 3.81Å; E16-R28 WeakPolarHBondContact OE1-CG 3.35Å
29K94.6Very high93.6Very high14 Ų1464.7 Ų64.76%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-129.1136.4175.4-57.4-63.6171176.60108.1V14 L15 K17 K27 C31 F41 E42V14-K29 WeakPolarHBondContact CA-O 3.49Å; L15-K29 PolarHBondContact N-O 3.36Å; L15-K29 VanDerWaalsContact N-O 3.09Å; L15-K29 PolarHBondContact O-N 3.21Å; K17-K29 HydrophobicContact CB-CG 4.32Å; K27-K29 PolarHBondContact O-N 2.93Å; K29-C31 PolarHBondContact O-SG 3.49Å; K29-F41 WeakPolarHBondContact CA-O 3.3Å; K29-E42 IonicContact NZ-OE1 3.68Å; K29-E42 PolarHBondContact NZ-OE1 3.25Å; K29-E42 IonicContact NZ-OE2 3.86Å; K29-E42 PolarHBondContact NZ-OE2 3.29Å
30R94.1Very high93.8Very high116 Ų11663.9 Ų63.944%0.43832%0.321SS..EExtended strand (participates in β ladder)trans-72.9130.7159.9174.6179.3136.3-106.3-7.1106.8E12 F41E12-R30 IonicContact OE1-CZ 3.82Å; E12-R30 IonicContact OE1-NE 2.69Å; E12-R30 PolarHBondContact OE1-NE 3.46Å; E12-R30 IonicContact OE1-NH2 3.55Å; R30-F41 HydrophobicContact CB-CB 4.19Å; R30-F41 PolarHBondContact N-O 3.36Å; R30-F41 WeakPolarHBondContact O-CB 3.41Å; R30-F41 WeakPolarHBondContact O-CD2 3.4Å; R30-F41 PolarHBondContact O-N 3.3Å
31C96.1Very high94.1Very high0 Ų061.6 Ų61.60%029%0.288CS..EExtended strand (participates in β ladder)trans-126.3136.1-170.4-69.20000110.4E12 G13 L15 K29 L38 Q39 L40 W94E12-C31 VanDerWaalsContact CA-O 3.3Å; E12-C31 WeakPolarHBondContact CA-O 3.4Å; G13-C31 PolarHBondContact N-O 3.41Å; G13-C31 PolarHBondContact O-N 2.96Å; L15-C31 HydrophobicContact CD1-CB 4.33Å; L15-C31 HydrophobicContact CG-CB 4.37Å; K29-C31 PolarHBondContact O-SG 3.49Å; C31-L38 HydrophobicContact CB-CD1 4.06Å; C31-Q39 VanDerWaalsContact CA-O 3.26Å; C31-Q39 WeakPolarHBondContact CA-O 3.37Å; C31-L40 WeakPolarHBondContact SG-CD2 3.34Å; C31-W94 HydrophobicContact CB-CH2 3.44Å; C31-W94 VanDerWaalsContact CB-CH2 3.44Å; C31-W94 HydrophobicContact CB-CZ2 4.1Å; C31-W94 HydrophobicContact CB-CZ3 3.96Å
32V96.2Very high94.3Very high8 Ų865.5 Ų65.55%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-123114.2171.8-177.90000107.8V9 E12 T34 Q39 F41V9-V32 HydrophobicContact CB-CG1 4.5Å; V9-V32 HydrophobicContact CG1-CG1 3.93Å; V9-V32 HydrophobicContact CG2-CG1 3.87Å; E12-V32 HydrophobicContact CB-CG2 4.45Å; E12-V32 HydrophobicContact CG-CG2 3.99Å; V32-T34 HydrophobicContact CG1-CG2 4.05Å; V32-Q39 HydrophobicContact CB-CB 4.29Å; V32-Q39 PolarHBondContact N-O 3.48Å; V32-Q39 PolarHBondContact O-N 2.81Å; V32-F41 HydrophobicContact CB-CE2 4.24Å; V32-F41 HydrophobicContact CG2-CD2 4.4Å; V32-F41 HydrophobicContact CG2-CE2 3.74Å
33L98.2Very high93.7Very high0 Ų060.5 Ų60.50%028%0.281CS..EExtended strand (participates in β ladder)trans-87.1126.5171.3-17862.5000108.9L10 K11 L38 F55 W94 Q97 I98L10-L33 HydrophobicContact CB-CD2 4.12Å; L10-L33 HydrophobicContact CB-CG 4.09Å; L10-L33 HydrophobicContact CD1-CD2 4.47Å; L10-L33 HydrophobicContact CD1-CG 4.31Å; L10-L33 PolarHBondContact N-O 2.98Å; K11-L33 HydrophobicContact CB-CB 4.41Å; K11-L33 PolarHBondContact N-O 3.26Å; K11-L33 WeakPolarHBondContact O-CB 3.36Å; K11-L33 PolarHBondContact O-N 2.83Å; L33-L38 HydrophobicContact CB-CD1 4.27Å; L33-L38 HydrophobicContact CD1-CB 4.42Å; L33-L38 HydrophobicContact CD1-CD1 4.41Å; L33-F55 HydrophobicContact CD1-CE1 4.42Å; L33-F55 HydrophobicContact CD1-CZ 3.8Å; L33-W94 HydrophobicContact CB-CZ3 4.13Å; L33-Q97 HydrophobicContact CD2-CB 3.78Å; L33-I98 HydrophobicContact CD1-CG1 3.9Å; L33-I98 HydrophobicContact CD2-CG1 3.97Å
34T97.4Very high92.9Very high8 Ų864.4 Ų64.45%0.04929%0.292CS..EExtended strand (participates in β ladder)trans-122.7171.8175690000110.2A7 T8 V32 R36 G37 F55A7-T34 HydrophobicContact CB-CG2 4.28Å; T8-T34 VanDerWaalsContact O-CA 3.26Å; T8-T34 WeakPolarHBondContact O-CA 3.37Å; V32-T34 HydrophobicContact CG1-CG2 4.05Å; T34-R36 PolarHBondContact O-N 3.24Å; T34-R36 PolarHBondContact OG1-N 2.95Å; T34-G37 PolarHBondContact N-O 3.46Å; T34-G37 PolarHBondContact O-N 3.42Å; T34-G37 VanDerWaalsContact O-N 3.17Å; T34-G37 PolarHBondContact OG1-N 2.95Å; T34-G37 PolarHBondContact OG1-O 2.98Å; T34-G37 VanDerWaalsContact OG1-O 3.11Å; T34-F55 WeakPolarHBondContact O-CE2 3.49Å
35E96.2Very high91.5Very high60 Ų6062.4 Ų62.428%0.2829%0.294SS..THydrogen-bonded Turntrans-59.6-14.6172-61.5-170.5135.700114.2T8 L10 F55 K104T8-E35 PolarHBondContact O-N 2.99Å; L10-E35 HydrophobicContact CD1-CG 4.41Å; L10-E35 HydrophobicContact CD2-CG 4.13Å; L10-E35 HydrophobicContact CG-CG 4.39Å; E35-F55 WeakPolarHBondContact O-CD2 3.46Å; E35-K104 IonicContact OE1-NZ 2.81Å; E35-K104 PolarHBondContact OE1-NZ 2.8Å
36R96.1Very high89.8Confident123 Ų12366 Ų6646%0.46432%0.319SS..THydrogen-bonded Turntrans-99-15179.8-63.4-174.2179.9176.62.5113.9A7 T34 S54 F55A7-R36 HydrophobicContact CB-CG 4.17Å; T34-R36 PolarHBondContact O-N 3.24Å; T34-R36 PolarHBondContact OG1-N 2.95Å; R36-S54 WeakPolarHBondContact O-CA 3.29Å; R36-F55 VanDerWaalsContact C-CD2 3.49Å; R36-F55 PolarHBondContact O-N 3.44Å
37G97.7Very high88.4Confident0 Ų066.3 Ų66.30%034%0.344CS..EExtended strand (participates in β ladder)trans143.8-168-176.500000113.7T34 L53T34-G37 PolarHBondContact N-O 3.46Å; T34-G37 PolarHBondContact O-N 3.42Å; T34-G37 VanDerWaalsContact O-N 3.17Å; T34-G37 PolarHBondContact OG1-N 2.95Å; T34-G37 PolarHBondContact OG1-O 2.98Å; T34-G37 VanDerWaalsContact OG1-O 3.11Å; G37-L53 WeakPolarHBondContact CA-O 3.25Å
38L98.1Very high87.4Confident2 Ų263.7 Ų63.71%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-103.9123.4-173.9-177.666.9000111.2L15 C31 L33 L40 L53 L75 F85 W94 I98L15-L38 HydrophobicContact CD1-CD1 4.39Å; L15-L38 HydrophobicContact CD1-CD2 3.89Å; C31-L38 HydrophobicContact CB-CD1 4.06Å; L33-L38 HydrophobicContact CB-CD1 4.27Å; L33-L38 HydrophobicContact CD1-CB 4.42Å; L33-L38 HydrophobicContact CD1-CD1 4.41Å; L38-L40 HydrophobicContact CD2-CD2 3.78Å; L38-L40 HydrophobicContact CG-CD2 3.84Å; L38-L53 HydrophobicContact CB-CB 4.3Å; L38-L53 HydrophobicContact CD2-CD1 4.46Å; L38-L53 PolarHBondContact N-O 3.36Å; L38-L53 PolarHBondContact O-N 2.93Å; L38-L75 HydrophobicContact CD2-CD1 4.44Å; L38-F85 HydrophobicContact CD2-CE1 4.33Å; L38-F85 HydrophobicContact CD2-CZ 4.21Å; L38-W94 HydrophobicContact CD1-CE3 4.47Å; L38-W94 HydrophobicContact CD1-CZ3 3.75Å; L38-I98 HydrophobicContact CD2-CD1 4.25Å
39Q96.3Very high87Confident51 Ų5166.8 Ų66.824%0.23836%0.359CS..EExtended strand (participates in β ladder)trans-97.4128.5174.4-63.1178.3-25.600109.8C31 V32 F41 P50C31-Q39 VanDerWaalsContact CA-O 3.26Å; C31-Q39 WeakPolarHBondContact CA-O 3.37Å; V32-Q39 HydrophobicContact CB-CB 4.29Å; V32-Q39 PolarHBondContact N-O 3.48Å; V32-Q39 PolarHBondContact O-N 2.81Å; Q39-F41 HydrophobicContact CB-CE2 3.85Å; Q39-F41 HydrophobicContact CB-CZ 4.47Å; Q39-P50 HydrophobicContact CB-CB 4.01Å; Q39-P50 HydrophobicContact CB-CG 4.33Å; Q39-P50 HydrophobicContact CG-CG 4.47Å
40L95.6Very high86.8Confident6 Ų667.7 Ų67.73%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-112.3115.4-180-53.2177.3000109.6K17 C31 L38 P50 K51 L53 F85K17-L40 HydrophobicContact CD-CD1 3.93Å; C31-L40 WeakPolarHBondContact SG-CD2 3.34Å; L38-L40 HydrophobicContact CD2-CD2 3.78Å; L38-L40 HydrophobicContact CG-CD2 3.84Å; L40-P50 WeakPolarHBondContact O-CA 3.46Å; L40-K51 HydrophobicContact CB-CB 4.36Å; L40-K51 PolarHBondContact N-O 2.89Å; L40-K51 PolarHBondContact O-N 3.48Å; L40-L53 HydrophobicContact CD1-CD1 3.96Å; L40-L53 HydrophobicContact CD1-CG 4.25Å; L40-F85 HydrophobicContact CD1-CE1 4.23Å; L40-F85 HydrophobicContact CD1-CZ 4.11Å; L40-F85 HydrophobicContact CD2-CE1 4.01Å; L40-F85 HydrophobicContact CD2-CZ 4.4Å
41F93.4Very high86.8Confident34 Ų3468.1 Ų68.115%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-98.5137175.5-61.9-97.5000110K29 R30 V32 Q39 P50K29-F41 WeakPolarHBondContact CA-O 3.3Å; R30-F41 HydrophobicContact CB-CB 4.19Å; R30-F41 PolarHBondContact N-O 3.36Å; R30-F41 WeakPolarHBondContact O-CB 3.41Å; R30-F41 WeakPolarHBondContact O-CD2 3.4Å; R30-F41 PolarHBondContact O-N 3.3Å; V32-F41 HydrophobicContact CB-CE2 4.24Å; V32-F41 HydrophobicContact CG2-CD2 4.4Å; V32-F41 HydrophobicContact CG2-CE2 3.74Å; Q39-F41 HydrophobicContact CB-CE2 3.85Å; Q39-F41 HydrophobicContact CB-CZ 4.47Å; F41-P50 HydrophobicContact CD1-CB 3.85Å; F41-P50 HydrophobicContact CD1-CG 4.41Å; F41-P50 HydrophobicContact CD2-CB 4.12Å; F41-P50 HydrophobicContact CE1-CB 3.61Å; F41-P50 HydrophobicContact CE1-CG 3.7Å; F41-P50 HydrophobicContact CE2-CB 3.87Å; F41-P50 HydrophobicContact CE2-CG 4.3Å; F41-P50 HydrophobicContact CG-CB 4.11Å; F41-P50 HydrophobicContact CZ-CB 3.62Å; F41-P50 HydrophobicContact CZ-CG 3.63Å
42E86Confident86.7Confident123 Ų12372.3 Ų72.358%0.57539%0.391SS*.EExtended strand (participates in β ladder)trans-66.8140.2171.6-68.1-60.5150.100110.4K29 K44K29-E42 IonicContact NZ-OE1 3.68Å; K29-E42 PolarHBondContact NZ-OE1 3.25Å; K29-E42 IonicContact NZ-OE2 3.86Å; K29-E42 PolarHBondContact NZ-OE2 3.29Å; E42-K44 PolarHBondContact O-N 3.49Å
43A74.6Confident86.7Confident79 Ų7972.8 Ų72.865%0.65339%0.393SS*.THydrogen-bonded Turntrans-63.9-24.9-178.700000113.4
44K71.3Confident86.7Confident216 Ų21674.1 Ų74.194%0.93940%0.403SS*.THydrogen-bonded Turntrans-114.535.1-174.9-65.7-168.9177.9-174.20114.1E42E42-K44 PolarHBondContact O-N 3.49Å
45G61.4Low86.7Confident39 Ų3973.9 Ų73.940%0.40240%0.401SS..  trans-142.6108.4174.200000111.3G47G45-G47 PolarHBondContact O-N 3Å
46T59.1Low86.8Confident167 Ų16773.5 Ų73.5100%1.02541%0.408SS*.SBendtrans-73-0.3179.3450000114
47G64.2Low86.9Confident76 Ų7676.2 Ų76.278%0.78442%0.418SS*.SBendtrans-156.715.4-175.100000116.8G45G45-G47 PolarHBondContact O-N 3Å
48G74.9Confident86.9Confident52 Ų5276.4 Ų76.454%0.53642%0.419SS..PPolyproline II helixtrans-75143.8176.200000112.2
49R85.7Confident86.9Confident229 Ų22981.9 Ų81.986%0.86444%0.443SS*.PPolyproline II helixtrans-56.8126.6168.8-177.4178.8179177.60.8108.7
50P91.1Very high87Confident33 Ų3380.5 Ų80.521%0.21444%0.44CS..PPolyproline II helixtrans-63.4149.7179.124.9-33.2000111Q39 L40 F41 E52Q39-P50 HydrophobicContact CB-CB 4.01Å; Q39-P50 HydrophobicContact CB-CG 4.33Å; Q39-P50 HydrophobicContact CG-CG 4.47Å; L40-P50 WeakPolarHBondContact O-CA 3.46Å; F41-P50 HydrophobicContact CD1-CB 3.85Å; F41-P50 HydrophobicContact CD1-CG 4.41Å; F41-P50 HydrophobicContact CD2-CB 4.12Å; F41-P50 HydrophobicContact CE1-CB 3.61Å; F41-P50 HydrophobicContact CE1-CG 3.7Å; F41-P50 HydrophobicContact CE2-CB 3.87Å; F41-P50 HydrophobicContact CE2-CG 4.3Å; F41-P50 HydrophobicContact CG-CB 4.11Å; F41-P50 HydrophobicContact CZ-CB 3.62Å; F41-P50 HydrophobicContact CZ-CG 3.63Å; P50-E52 PolarHBondContact O-N 3.41Å
51K92.7Very high87.2Confident125 Ų12581.4 Ų81.454%0.54345%0.446SS..EExtended strand (participates in β ladder)trans-74.6119.1165.2176.7166.2-178.7157.60108.4L40L40-K51 HydrophobicContact CB-CB 4.36Å; L40-K51 PolarHBondContact N-O 2.89Å; L40-K51 PolarHBondContact O-N 3.48Å
52E94.1Very high87.4Confident88 Ų8884 Ų8441%0.41146%0.459SS..EExtended strand (participates in β ladder)trans-96125-178.5-170.5175172.100111.4P50P50-E52 PolarHBondContact O-N 3.41Å
53L96.7Very high87.9Confident17 Ų1782.5 Ų82.59%0.08946%0.461CS..EExtended strand (participates in β ladder)trans-101.184.8165.4-59.3-176.1000108G37 L38 L40 L75 I83 F85G37-L53 WeakPolarHBondContact CA-O 3.25Å; L38-L53 HydrophobicContact CB-CB 4.3Å; L38-L53 HydrophobicContact CD2-CD1 4.46Å; L38-L53 PolarHBondContact N-O 3.36Å; L38-L53 PolarHBondContact O-N 2.93Å; L40-L53 HydrophobicContact CD1-CD1 3.96Å; L40-L53 HydrophobicContact CD1-CG 4.25Å; L53-L75 HydrophobicContact CD1-CD1 3.95Å; L53-I83 HydrophobicContact CD1-CD1 4.04Å; L53-I83 HydrophobicContact CD2-CD1 3.77Å; L53-F85 HydrophobicContact CD1-CE2 4.11Å; L53-F85 HydrophobicContact CD1-CZ 3.71Å
54S97.6Very high89Confident28 Ų2882.5 Ų82.520%0.19645%0.452CS..EExtended strand (participates in β ladder)trans-65.6138.5178.9177.60000111.1R36 A56 R57 I58R36-S54 WeakPolarHBondContact O-CA 3.29Å; S54-A56 PolarHBondContact O-N 3.39Å; S54-A56 VanDerWaalsContact O-N 3.15Å; S54-A56 PolarHBondContact OG-N 3.45Å; S54-R57 PolarHBondContact O-N 2.99Å; S54-I58 PolarHBondContact O-N 3.36Å
55F98.5Very high90.2Very high4 Ų477.5 Ų77.52%0.01843%0.432CS..G310 helixtrans-58.7-23.5172.5-71.1-34.9000113.4L33 T34 E35 R36 R57 I58 I98 L102 F105L33-F55 HydrophobicContact CD1-CE1 4.42Å; L33-F55 HydrophobicContact CD1-CZ 3.8Å; T34-F55 WeakPolarHBondContact O-CE2 3.49Å; E35-F55 WeakPolarHBondContact O-CD2 3.46Å; R36-F55 VanDerWaalsContact C-CD2 3.49Å; R36-F55 PolarHBondContact O-N 3.44Å; F55-R57 PolarHBondContact O-N 2.92Å; F55-R57 VanDerWaalsContact O-N 3.12Å; F55-I58 PolarHBondContact O-N 3.06Å; F55-I98 HydrophobicContact CE1-CG2 4.07Å; F55-L102 HydrophobicContact CB-CD1 3.93Å; F55-L102 HydrophobicContact CD1-CB 4.08Å; F55-L102 HydrophobicContact CD1-CD1 3.86Å; F55-L102 HydrophobicContact CE1-CB 4.1Å; F55-L102 HydrophobicContact CG-CD1 4.1Å; F55-F105 HydrophobicContact CB-CB 3.99Å; F55-F105 HydrophobicContact CB-CD1 3.54Å; F55-F105 HydrophobicContact CB-CD2 4.12Å; F55-F105 HydrophobicContact CB-CE1 4Å; F55-F105 HydrophobicContact CB-CG 3.61Å; F55-F105 HydrophobicContact CB-CZ 4.48Å; F55-F105 HydrophobicContact CD2-CB 3.86Å; F55-F105 HydrophobicContact CD2-CD2 4.4Å; F55-F105 HydrophobicContact CD2-CG 4.15Å; F55-F105 HydrophobicContact CG-CB 4.3Å; F55-F105 HydrophobicContact CG-CG 4.36Å
56A97.4Very high92Very high52 Ų5279.3 Ų79.343%0.4344%0.439SS..G310 helixtrans-62.7-15.5171.400000113.7S54 F105S54-A56 PolarHBondContact O-N 3.39Å; S54-A56 VanDerWaalsContact O-N 3.15Å; S54-A56 PolarHBondContact OG-N 3.45Å; A56-F105 HydrophobicContact CB-CE1 4.02Å; A56-F105 HydrophobicContact CB-CZ 3.95Å
57R98Very high93.7Very high180 Ų18074.7 Ų74.768%0.67941%0.411SS*.G310 helixtrans-114.4-2.9-179.2-58.5-179.369.9172.74.8113.1S54 F55 T77 E78S54-R57 PolarHBondContact O-N 2.99Å; F55-R57 PolarHBondContact O-N 2.92Å; F55-R57 VanDerWaalsContact O-N 3.12Å; R57-T77 CarbonylContact O-C 3.55Å; R57-T77 VanDerWaalsContact O-CA 3.23Å; R57-T77 WeakPolarHBondContact O-CA 3.3Å; R57-T77 WeakPolarHBondContact O-CB 3.24Å; R57-E78 PolarHBondContact O-N 3.33Å
58I98.6Very high95.1Very high4 Ų474.2 Ų74.22%0.02141%0.406CS..EExtended strand (participates in β ladder)trans-100.7125.9-180-58-52.7000108.7S54 F55 L75 T77 L102 K106S54-I58 PolarHBondContact O-N 3.36Å; F55-I58 PolarHBondContact O-N 3.06Å; I58-L75 HydrophobicContact CD1-CB 4.26Å; I58-L75 HydrophobicContact CD1-CD1 4.45Å; I58-T77 HydrophobicContact CD1-CG2 4.21Å; I58-L102 HydrophobicContact CB-CD1 4.14Å; I58-L102 HydrophobicContact CG2-CD1 4.29Å; I58-L102 HydrophobicContact CG2-CD2 3.81Å; I58-L102 WeakPolarHBondContact O-CD1 3.47Å; I58-K106 VanDerWaalsContact O-CE 3.24Å; I58-K106 WeakPolarHBondContact O-CE 3.42Å; I58-K106 PolarHBondContact O-NZ 2.99Å
59K98.3Very high96.2Very high116 Ų11681.3 Ų81.350%0.50442%0.416SS..EExtended strand (participates in β ladder)trans-80.7-54.4176.1-174.2-179.8176-172.80111.1V76 E78 K106K59-V76 WeakPolarHBondContact CA-O 3.23Å; K59-V76 HydrophobicContact CB-CB 4.49Å; K59-V76 HydrophobicContact CB-CG1 4.3Å; K59-V76 WeakPolarHBondContact CB-O 3.4Å; K59-V76 HydrophobicContact CD-CG1 4.32Å; K59-V76 PolarHBondContact N-O 2.95Å; K59-E78 WeakPolarHBondContact CA-OE1 3.3Å; K59-K106 PolarHBondContact O-NZ 2.86Å
60A98.3Very high96.8Very high22 Ų2272.1 Ų72.118%0.18238%0.383CS..EExtended strand (participates in β ladder)trans-154.5164.7-172.300000112.1E62 V76A60-E62 HydrophobicContact CB-CG 3.96Å; A60-V76 PolarHBondContact N-O 3.19Å; A60-V76 PolarHBondContact O-N 3.26Å
61V98.7Very high97.1Very high25 Ų2571.5 Ų71.515%0.15238%0.378CS..EExtended strand (participates in β ladder)trans-107.9121.5163.4-174.90000106.6V64 F73 T74 L75 N95 I98V61-V64 HydrophobicContact CG1-CG2 4.37Å; V61-F73 HydrophobicContact CG1-CB 4.26Å; V61-F73 HydrophobicContact CG1-CD2 4.15Å; V61-T74 WeakPolarHBondContact CA-O 3.34Å; V61-L75 HydrophobicContact CB-CD2 4.39Å; V61-L75 HydrophobicContact CG1-CD2 4.27Å; V61-L75 HydrophobicContact CG2-CD2 3.74Å; V61-N95 HydrophobicContact CG1-CB 4.31Å; V61-I98 HydrophobicContact CG2-CB 4.38Å; V61-I98 HydrophobicContact CG2-CG2 3.68Å
62E98.2Very high97.4Very high89 Ų8968.7 Ų68.742%0.41636%0.364SS..EExtended strand (participates in β ladder)trans-133.3179.3-173.4-66.1-176.5-172.900111.1A60 V64 T74 V76A60-E62 HydrophobicContact CB-CG 3.96Å; E62-V64 PolarHBondContact O-N 3.12Å; E62-V64 VanDerWaalsContact O-N 3.15Å; E62-T74 PolarHBondContact N-O 3.25Å; E62-T74 PolarHBondContact O-N 2.7Å; E62-V76 HydrophobicContact CB-CG2 4.27Å; E62-V76 HydrophobicContact CG-CG2 4.13Å
63C96.4Very high97.6Very high92 Ų9264.6 Ų64.662%0.62235%0.345SS*.EExtended strand (participates in β ladder)trans5141.2175.6-58.60000113.2E65C63-E65 PolarHBondContact O-N 2.95Å
64V97.5Very high97.7Very high78 Ų7864.3 Ų64.347%0.47334%0.344SS..EExtended strand (participates in β ladder)trans-74112.5177.7-179.80000108.8V61 E62 Y72 F73 N95V61-V64 HydrophobicContact CG1-CG2 4.37Å; E62-V64 PolarHBondContact O-N 3.12Å; E62-V64 VanDerWaalsContact O-N 3.15Å; V64-Y72 VanDerWaalsContact CA-O 3.3Å; V64-Y72 WeakPolarHBondContact CA-O 3.48Å; V64-F73 HydrophobicContact CG2-CB 4.08Å; V64-N95 HydrophobicContact CG1-CB 4.5Å; V64-N95 VanDerWaalsContact CG1-ND2 3.28Å; V64-N95 WeakPolarHBondContact CG1-ND2 3.48Å; V64-N95 HydrophobicContact CG2-CB 4.12Å
65E97.9Very high97.7Very high112 Ų11263.1 Ų63.152%0.52334%0.335SS..EExtended strand (participates in β ladder)trans-137.8139.6-179.3-167.6-171.115200110.4C63 T67 I71 Y72C63-E65 PolarHBondContact O-N 2.95Å; E65-T67 PolarHBondContact OE1-OG1 2.78Å; E65-I71 CarbonylContact O-C 3.57Å; E65-I71 WeakPolarHBondContact O-CA 3.3Å; E65-Y72 PolarHBondContact N-O 3.12Å; E65-Y72 PolarHBondContact O-N 2.89Å
66S97.6Very high97.7Very high77 Ų7763.5 Ų63.554%0.53834%0.338SS..EExtended strand (participates in β ladder)trans-109.6112.2172-173.70000109.3L89S66-L89 WeakPolarHBondContact OG-CD2 3.41Å
67T95.3Very high97.8Very high70 Ų7062.4 Ų62.443%0.42933%0.326SS..EExtended strand (participates in β ladder)trans-141.7133.5-178.1-80.80000110.4E65 R69 H70E65-T67 PolarHBondContact OE1-OG1 2.78Å; T67-R69 PolarHBondContact O-N 2.99Å; T67-H70 PolarHBondContact N-O 2.73Å; T67-H70 PolarHBondContact O-N 3.48Å; T67-H70 VanDerWaalsContact O-O 3.09Å
68G94.8Very high97.7Very high66 Ų6658.8 Ų58.868%0.6832%0.317SS*.THydrogen-bonded Turntrans61.7-122.8-178.700000111.8L89G68-L89 WeakPolarHBondContact O-CD1 3.44Å
69R96.5Very high97.6Very high200 Ų20062.2 Ų62.276%0.75535%0.353SS*.THydrogen-bonded Turntrans-9910.4179.9-63.7-167-65.5173.7-1.4114.2T67 L89T67-R69 PolarHBondContact O-N 2.99Å; R69-L89 PolarHBondContact O-N 2.88Å; R69-L89 VanDerWaalsContact O-N 3.07Å
70H98.2Very high97.5Very high36 Ų3659.3 Ų59.317%0.16736%0.357CS..EExtended strand (participates in β ladder)trans-135153.9-172.2-58.792.1000112.9T67 Y72 R86 C87T67-H70 PolarHBondContact N-O 2.73Å; T67-H70 PolarHBondContact O-N 3.48Å; T67-H70 VanDerWaalsContact O-O 3.09Å; H70-Y72 HydrophobicContact CB-CD2 4.2Å; H70-Y72 HydrophobicContact CB-CE2 3.57Å; H70-R86 HydrophobicContact CB-CB 4.26Å; H70-C87 CarbonylContact C-O 3.58Å; H70-C87 VanDerWaalsContact CA-O 3.22Å; H70-C87 WeakPolarHBondContact CA-O 3.28Å; H70-C87 WeakPolarHBondContact CB-O 3.39Å
71I98.2Very high97.4Very high20 Ų2059.9 Ų59.910%0.10337%0.365CS..EExtended strand (participates in β ladder)trans-104.8125.2163.4-56171.1000106.8E65 R86 C87 L89 P92E65-I71 CarbonylContact O-C 3.57Å; E65-I71 WeakPolarHBondContact O-CA 3.3Å; I71-R86 CarbonylContact O-C 3.54Å; I71-R86 WeakPolarHBondContact O-CA 3.34Å; I71-R86 WeakPolarHBondContact O-CB 3.3Å; I71-C87 PolarHBondContact N-O 2.86Å; I71-C87 PolarHBondContact O-N 2.89Å; I71-L89 HydrophobicContact CD1-CD2 4.12Å; I71-L89 HydrophobicContact CG1-CD2 3.68Å; I71-P92 HydrophobicContact CD1-CB 3.65Å
72Y98.5Very high97.3Very high66 Ų6665.1 Ų65.126%0.25939%0.387SS..EExtended strand (participates in β ladder)trans-102.3146178.7-62.5-98.7000109.5W26 V64 E65 H70 F85 R86W26-Y72 HydrophobicContact CH2-CD1 4.02Å; W26-Y72 HydrophobicContact CH2-CE1 4.22Å; W26-Y72 HydrophobicContact CZ2-CD1 4.01Å; W26-Y72 AromaticContact CZ2-CE1 3.78Å; W26-Y72 HydrophobicContact CZ2-CE1 3.78Å; V64-Y72 VanDerWaalsContact CA-O 3.3Å; V64-Y72 WeakPolarHBondContact CA-O 3.48Å; E65-Y72 PolarHBondContact N-O 3.12Å; E65-Y72 PolarHBondContact O-N 2.89Å; H70-Y72 HydrophobicContact CB-CD2 4.2Å; H70-Y72 HydrophobicContact CB-CE2 3.57Å; Y72-F85 WeakPolarHBondContact CA-O 3.37Å; Y72-R86 HydrophobicContact CD1-CB 3.72Å; Y72-R86 HydrophobicContact CE1-CB 3.93Å; Y72-R86 HydrophobicContact CE1-CG 4.34Å; Y72-R86 HydrophobicContact CG-CB 4.17Å
73F98.7Very high97.3Very high2 Ų262.2 Ų62.21%0.00937%0.374CS..EExtended strand (participates in β ladder)trans-160.2155.3172.260.8-84.9000110.6L15 V61 V64 L75 F85 W94 N95 I98L15-F73 HydrophobicContact CD1-CZ 4.11Å; L15-F73 HydrophobicContact CD2-CE1 4.1Å; L15-F73 HydrophobicContact CD2-CZ 3.92Å; V61-F73 HydrophobicContact CG1-CB 4.26Å; V61-F73 HydrophobicContact CG1-CD2 4.15Å; V64-F73 HydrophobicContact CG2-CB 4.08Å; F73-L75 HydrophobicContact CD2-CD2 4.22Å; F73-L75 HydrophobicContact CE2-CD2 4.26Å; F73-F85 HydrophobicContact CD1-CB 4.27Å; F73-F85 HydrophobicContact CD2-CB 4.05Å; F73-F85 HydrophobicContact CE1-CB 3.8Å; F73-F85 HydrophobicContact CE2-CB 3.55Å; F73-F85 HydrophobicContact CE2-CD2 4.01Å; F73-F85 AromaticContact CE2-CG 3.95Å; F73-F85 HydrophobicContact CE2-CG 3.95Å; F73-F85 HydrophobicContact CG-CB 4.39Å; F73-F85 HydrophobicContact CZ-CB 3.41Å; F73-F85 VanDerWaalsContact CZ-CB 3.41Å; F73-F85 HydrophobicContact CZ-CG 4.06Å; F73-F85 PolarHBondContact N-O 2.94Å; F73-F85 PolarHBondContact O-N 3.02Å; F73-F85 VanDerWaalsContact O-O 3.13Å; F73-W94 HydrophobicContact CE1-CB 4.03Å; F73-W94 HydrophobicContact CZ-CB 4.04Å; F73-N95 HydrophobicContact CB-CB 4.02Å; F73-N95 HydrophobicContact CD1-CB 3.96Å; F73-N95 HydrophobicContact CD2-CB 4.39Å; F73-N95 HydrophobicContact CG-CB 3.88Å; F73-I98 HydrophobicContact CE2-CD1 3.77Å; F73-I98 HydrophobicContact CZ-CD1 4.04Å
74T98.5Very high97.3Very high11 Ų1158.9 Ų58.97%0.06735%0.35CS..EExtended strand (participates in β ladder)trans-116.8131-178.4-620000110V61 E62 V76 E82 D84V61-T74 WeakPolarHBondContact CA-O 3.34Å; E62-T74 PolarHBondContact N-O 3.25Å; E62-T74 PolarHBondContact O-N 2.7Å; T74-V76 HydrophobicContact CG2-CG2 4.25Å; T74-E82 HydrophobicContact CG2-CB 3.83Å; T74-E82 HydrophobicContact CG2-CG 4.03Å; T74-D84 WeakPolarHBondContact CB-OD1 3.33Å; T74-D84 WeakPolarHBondContact CG2-OD1 3.31Å; T74-D84 PolarHBondContact OG1-OD1 2.95Å
75L98.6Very high97.4Very high3 Ų355.2 Ų55.22%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-91.3113.7165.7-57.1-171.6000109L38 L53 I58 V61 F73 I83 F85 I98L38-L75 HydrophobicContact CD2-CD1 4.44Å; L53-L75 HydrophobicContact CD1-CD1 3.95Å; I58-L75 HydrophobicContact CD1-CB 4.26Å; I58-L75 HydrophobicContact CD1-CD1 4.45Å; V61-L75 HydrophobicContact CB-CD2 4.39Å; V61-L75 HydrophobicContact CG1-CD2 4.27Å; V61-L75 HydrophobicContact CG2-CD2 3.74Å; F73-L75 HydrophobicContact CD2-CD2 4.22Å; F73-L75 HydrophobicContact CE2-CD2 4.26Å; L75-I83 HydrophobicContact CB-CB 4.42Å; L75-I83 PolarHBondContact N-O 3.47Å; L75-I83 PolarHBondContact O-N 2.95Å; L75-F85 HydrophobicContact CB-CE2 4.43Å; L75-F85 HydrophobicContact CD1-CD2 4.22Å; L75-F85 HydrophobicContact CD1-CE2 3.63Å; L75-F85 HydrophobicContact CD1-CZ 4.37Å; L75-F85 HydrophobicContact CG-CD2 3.98Å; L75-F85 HydrophobicContact CG-CE2 3.81Å; L75-I98 HydrophobicContact CD2-CG2 3.9Å
76V98.4Very high97.4Very high12 Ų1251.9 Ų51.97%0.07331%0.311CS..EExtended strand (participates in β ladder)trans-87.2128.6173.5-175.90000108.1K59 A60 E62 T74K59-V76 WeakPolarHBondContact CA-O 3.23Å; K59-V76 HydrophobicContact CB-CB 4.49Å; K59-V76 HydrophobicContact CB-CG1 4.3Å; K59-V76 WeakPolarHBondContact CB-O 3.4Å; K59-V76 HydrophobicContact CD-CG1 4.32Å; K59-V76 PolarHBondContact N-O 2.95Å; A60-V76 PolarHBondContact N-O 3.19Å; A60-V76 PolarHBondContact O-N 3.26Å; E62-V76 HydrophobicContact CB-CG2 4.27Å; E62-V76 HydrophobicContact CG-CG2 4.13Å; T74-V76 HydrophobicContact CG2-CG2 4.25Å
77T98Very high97.4Very high30 Ų3048.2 Ų48.218%0.18429%0.285CS..EExtended strand (participates in β ladder)trans-88.2158.5177.764.90000111.2R57 I58 G79 G80 G81 I83R57-T77 CarbonylContact O-C 3.55Å; R57-T77 VanDerWaalsContact O-CA 3.23Å; R57-T77 WeakPolarHBondContact O-CA 3.3Å; R57-T77 WeakPolarHBondContact O-CB 3.24Å; I58-T77 HydrophobicContact CD1-CG2 4.21Å; T77-G79 PolarHBondContact O-N 3.43Å; T77-G79 VanDerWaalsContact O-N 3.12Å; T77-G80 PolarHBondContact O-N 2.92Å; T77-G81 WeakPolarHBondContact CB-O 3.39Å; T77-G81 WeakPolarHBondContact CG2-O 3.45Å; T77-G81 PolarHBondContact N-O 3.47Å; T77-G81 VanDerWaalsContact OG1-CA 3.3Å; T77-G81 WeakPolarHBondContact OG1-CA 3.4Å; T77-G81 PolarHBondContact OG1-N 3.43Å; T77-G81 PolarHBondContact OG1-O 2.93Å; T77-I83 HydrophobicContact CG2-CD1 4.22Å
78E97.1Very high97.4Very high103 Ų10346.4 Ų46.448%0.48127%0.274SS..THydrogen-bonded Turntrans-58.6-25176.1-65.9-65.1166.600112.7R57 K59 G80 K106R57-E78 PolarHBondContact O-N 3.33Å; K59-E78 WeakPolarHBondContact CA-OE1 3.3Å; E78-G80 VanDerWaalsContact C-N 3.31Å; E78-G80 PolarHBondContact O-N 3.49Å; E78-K106 IonicContact OE1-NZ 3.15Å; E78-K106 PolarHBondContact OE1-NZ 3.28Å
79G96Very high97.5Very high76 Ų7646.8 Ų46.878%0.78426%0.26SS*.THydrogen-bonded Turntrans-85.99.2174.900000115.1T77 G81T77-G79 PolarHBondContact O-N 3.43Å; T77-G79 VanDerWaalsContact O-N 3.12Å; G79-G81 VanDerWaalsContact C-N 3.27Å; G79-G81 PolarHBondContact O-N 2.87Å
80G95.8Very high97.4Very high56 Ų5644.8 Ų44.858%0.57726%0.26SS*.SBendtrans77.92.5-178.400000115.3T77 E78T77-G80 PolarHBondContact O-N 2.92Å; E78-G80 VanDerWaalsContact C-N 3.31Å; E78-G80 PolarHBondContact O-N 3.49Å
81G96.4Very high97.2Very high34 Ų3445.1 Ų45.135%0.35126%0.263SS..  trans-74.8146.1172.300000112T77 G79T77-G81 WeakPolarHBondContact CB-O 3.39Å; T77-G81 WeakPolarHBondContact CG2-O 3.45Å; T77-G81 PolarHBondContact N-O 3.47Å; T77-G81 VanDerWaalsContact OG1-CA 3.3Å; T77-G81 WeakPolarHBondContact OG1-CA 3.4Å; T77-G81 PolarHBondContact OG1-N 3.43Å; T77-G81 PolarHBondContact OG1-O 2.93Å; G79-G81 VanDerWaalsContact C-N 3.27Å; G79-G81 PolarHBondContact O-N 2.87Å
82E97.2Very high97.1Very high135 Ų13547.5 Ų47.563%0.63128%0.279SS*.EExtended strand (participates in β ladder)trans-113.4140.9-178.3-68.1175-17600111.5T74T74-E82 HydrophobicContact CG2-CB 3.83Å; T74-E82 HydrophobicContact CG2-CG 4.03Å
83I97.2Very high97Very high27 Ų2745.4 Ų45.414%0.13828%0.278CS..EExtended strand (participates in β ladder)trans-131.4110.2177.3-47.2175000109.1K17 L53 L75 T77 F85K17-I83 HydrophobicContact CD-CG2 4.08Å; K17-I83 HydrophobicContact CG-CG2 4.26Å; L53-I83 HydrophobicContact CD1-CD1 4.04Å; L53-I83 HydrophobicContact CD2-CD1 3.77Å; L75-I83 HydrophobicContact CB-CB 4.42Å; L75-I83 PolarHBondContact N-O 3.47Å; L75-I83 PolarHBondContact O-N 2.95Å; T77-I83 HydrophobicContact CG2-CD1 4.22Å; I83-F85 HydrophobicContact CB-CE2 3.97Å; I83-F85 HydrophobicContact CG2-CD2 4.22Å; I83-F85 HydrophobicContact CG2-CE2 3.41Å; I83-F85 VanDerWaalsContact CG2-CE2 3.41Å; I83-F85 HydrophobicContact CG2-CZ 3.78Å; I83-F85 VanDerWaalsContact O-CD2 3.31Å; I83-F85 WeakPolarHBondContact O-CD2 3.14Å
84D98Very high97Very high22 Ų2245.3 Ų45.312%0.11828%0.277CS..EExtended strand (participates in β ladder)trans-89.4135.3-176.1-67.5-4.3000112R18 W26 T74R18-D84 HydrophobicContact CB-CB 4.03Å; R18-D84 IonicContact CZ-OD2 2.7Å; R18-D84 PolarHBondContact N-O 3.37Å; R18-D84 IonicContact NE-OD2 2.65Å; R18-D84 IonicContact NH1-OD2 2.62Å; R18-D84 PolarHBondContact NH1-OD2 2.74Å; R18-D84 IonicContact NH2-OD2 2.76Å; R18-D84 PolarHBondContact NH2-OD2 3.26Å; W26-D84 HydrophobicContact CH2-CB 4.18Å; T74-D84 WeakPolarHBondContact CB-OD1 3.33Å; T74-D84 WeakPolarHBondContact CG2-OD1 3.31Å; T74-D84 PolarHBondContact OG1-OD1 2.95Å
85F98.5Very high96.9Very high1 Ų146 Ų460%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-126.5155.5177.5-68.9-88.9000110.4L15 E16 K17 L38 L40 L53 Y72 F73 L75 I83L15-F85 HydrophobicContact CB-CD1 4.08Å; L15-F85 HydrophobicContact CD1-CD1 4.06Å; L15-F85 HydrophobicContact CD1-CE1 4.43Å; E16-F85 CarbonylContact O-C 3.48Å; E16-F85 VanDerWaalsContact O-CA 3.27Å; E16-F85 WeakPolarHBondContact O-CA 3.42Å; K17-F85 HydrophobicContact CB-CD1 3.93Å; K17-F85 HydrophobicContact CB-CE1 3.68Å; K17-F85 HydrophobicContact CB-CZ 4.45Å; K17-F85 HydrophobicContact CD-CE1 4.14Å; K17-F85 HydrophobicContact CD-CZ 4.14Å; K17-F85 HydrophobicContact CG-CD1 4.38Å; K17-F85 HydrophobicContact CG-CE1 3.93Å; K17-F85 HydrophobicContact CG-CZ 4.21Å; L38-F85 HydrophobicContact CD2-CE1 4.33Å; L38-F85 HydrophobicContact CD2-CZ 4.21Å; L40-F85 HydrophobicContact CD1-CE1 4.23Å; L40-F85 HydrophobicContact CD1-CZ 4.11Å; L40-F85 HydrophobicContact CD2-CE1 4.01Å; L40-F85 HydrophobicContact CD2-CZ 4.4Å; L53-F85 HydrophobicContact CD1-CE2 4.11Å; L53-F85 HydrophobicContact CD1-CZ 3.71Å; Y72-F85 WeakPolarHBondContact CA-O 3.37Å; F73-F85 HydrophobicContact CD1-CB 4.27Å; F73-F85 HydrophobicContact CD2-CB 4.05Å; F73-F85 HydrophobicContact CE1-CB 3.8Å; F73-F85 HydrophobicContact CE2-CB 3.55Å; F73-F85 HydrophobicContact CE2-CD2 4.01Å; F73-F85 AromaticContact CE2-CG 3.95Å; F73-F85 HydrophobicContact CE2-CG 3.95Å; F73-F85 HydrophobicContact CG-CB 4.39Å; F73-F85 HydrophobicContact CZ-CB 3.41Å; F73-F85 VanDerWaalsContact CZ-CB 3.41Å; F73-F85 HydrophobicContact CZ-CG 4.06Å; F73-F85 PolarHBondContact N-O 2.94Å; F73-F85 PolarHBondContact O-N 3.02Å; F73-F85 VanDerWaalsContact O-O 3.13Å; L75-F85 HydrophobicContact CB-CE2 4.43Å; L75-F85 HydrophobicContact CD1-CD2 4.22Å; L75-F85 HydrophobicContact CD1-CE2 3.63Å; L75-F85 HydrophobicContact CD1-CZ 4.37Å; L75-F85 HydrophobicContact CG-CD2 3.98Å; L75-F85 HydrophobicContact CG-CE2 3.81Å; I83-F85 HydrophobicContact CB-CE2 3.97Å; I83-F85 HydrophobicContact CG2-CD2 4.22Å; I83-F85 HydrophobicContact CG2-CE2 3.41Å; I83-F85 VanDerWaalsContact CG2-CE2 3.41Å; I83-F85 HydrophobicContact CG2-CZ 3.78Å; I83-F85 VanDerWaalsContact O-CD2 3.31Å; I83-F85 WeakPolarHBondContact O-CD2 3.14Å
86R98Very high96.9Very high43 Ų4348 Ų4816%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-140.1152160.770.9-175.8-174.2-178.70.3110.9E16 W26 H70 I71 Y72E16-R86 HydrophobicContact CB-CG 3.87Å; E16-R86 PolarHBondContact N-O 2.88Å; E16-R86 PolarHBondContact O-N 3.15Å; E16-R86 IonicContact OE2-CZ 2.82Å; E16-R86 IonicContact OE2-NE 2.66Å; E16-R86 PolarHBondContact OE2-NE 2.84Å; E16-R86 IonicContact OE2-NH2 2.68Å; E16-R86 PolarHBondContact OE2-NH2 2.99Å; W26-R86 VanDerWaalsContact CD1-NH1 3.35Å; W26-R86 HydrophobicContact CD2-CG 4.02Å; W26-R86 HydrophobicContact CE3-CB 4.45Å; W26-R86 HydrophobicContact CE3-CG 3.67Å; W26-R86 HydrophobicContact CH2-CB 4.25Å; W26-R86 HydrophobicContact CH2-CG 4.23Å; W26-R86 HydrophobicContact CZ3-CB 4.07Å; W26-R86 HydrophobicContact CZ3-CG 3.8Å; H70-R86 HydrophobicContact CB-CB 4.26Å; I71-R86 CarbonylContact O-C 3.54Å; I71-R86 WeakPolarHBondContact O-CA 3.34Å; I71-R86 WeakPolarHBondContact O-CB 3.3Å; Y72-R86 HydrophobicContact CD1-CB 3.72Å; Y72-R86 HydrophobicContact CE1-CB 3.93Å; Y72-R86 HydrophobicContact CE1-CG 4.34Å; Y72-R86 HydrophobicContact CG-CB 4.17Å
87C97.8Very high96.9Very high0 Ų050.6 Ų50.60%031%0.309CS..EExtended strand (participates in β ladder)trans-125155.1170.367.50000110.4L15 H70 I71 D91 W94L15-C87 HydrophobicContact CD2-CB 3.65Å; H70-C87 CarbonylContact C-O 3.58Å; H70-C87 VanDerWaalsContact CA-O 3.22Å; H70-C87 WeakPolarHBondContact CA-O 3.28Å; H70-C87 WeakPolarHBondContact CB-O 3.39Å; I71-C87 PolarHBondContact N-O 2.86Å; I71-C87 PolarHBondContact O-N 2.89Å; C87-D91 PolarHBondContact SG-O 2.64Å; C87-W94 HydrophobicContact CB-CG 4.43Å
88P96Very high96.9Very high31 Ų3149.2 Ų49.220%0.20130%0.301CS..EExtended strand (participates in β ladder)trans-62.3151.7171.3-17.431.1000111.5E90 D91P88-E90 HydrophobicContact CB-CG 3.86Å; P88-E90 VanDerWaalsContact CB-OE1 3.26Å; P88-E90 WeakPolarHBondContact CB-OE1 3.13Å; P88-E90 WeakPolarHBondContact CB-OE2 3.38Å; P88-E90 PolarHBondContact O-N 3.15Å; P88-D91 CarbonylContact O-C 3.45Å; P88-D91 PolarHBondContact O-N 3.24Å; P88-D91 VanDerWaalsContact O-N 3.11Å
89L94.9Very high97Very high74 Ų7446.9 Ų46.939%0.38729%0.293SS..THydrogen-bonded Turntrans-62.9-26.5175.2-79.3174.9000112.9S66 G68 R69 I71 D91 P92S66-L89 WeakPolarHBondContact OG-CD2 3.41Å; G68-L89 WeakPolarHBondContact O-CD1 3.44Å; R69-L89 PolarHBondContact O-N 2.88Å; R69-L89 VanDerWaalsContact O-N 3.07Å; I71-L89 HydrophobicContact CD1-CD2 4.12Å; I71-L89 HydrophobicContact CG1-CD2 3.68Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 2.93Å; L89-P92 WeakPolarHBondContact O-CD 3.35Å
90E95.2Very high97.1Very high158 Ų15849.2 Ų49.274%0.73829%0.287SS*.THydrogen-bonded Turntrans-73.8-13.4175.262.4-92.7-158.400114.5P88 P92P88-E90 HydrophobicContact CB-CG 3.86Å; P88-E90 VanDerWaalsContact CB-OE1 3.26Å; P88-E90 WeakPolarHBondContact CB-OE1 3.13Å; P88-E90 WeakPolarHBondContact CB-OE2 3.38Å; P88-E90 PolarHBondContact O-N 3.15Å; E90-P92 VanDerWaalsContact C-CD 3.44Å
91D94.7Very high97.3Very high44 Ų4446.8 Ų46.824%0.23526%0.262CS..SBendtrans-126.765.4172.8-175.230.8000111.1K11 C87 P88 L89 W94K11-D91 IonicContact NZ-OD1 2.89Å; K11-D91 PolarHBondContact NZ-OD1 2.66Å; K11-D91 IonicContact NZ-OD2 2.64Å; C87-D91 PolarHBondContact SG-O 2.64Å; P88-D91 CarbonylContact O-C 3.45Å; P88-D91 PolarHBondContact O-N 3.24Å; P88-D91 VanDerWaalsContact O-N 3.11Å; L89-D91 VanDerWaalsContact C-N 3.29Å; L89-D91 PolarHBondContact O-N 2.93Å; D91-W94 PolarHBondContact OD2-NE1 3.28Å
92P95.2Very high97.4Very high69 Ų6945.5 Ų45.545%0.44825%0.247SC..  trans-78.9177.8-174.335.3-36.2000112.4I71 L89 E90 W94I71-P92 HydrophobicContact CD1-CB 3.65Å; L89-P92 WeakPolarHBondContact O-CD 3.35Å; E90-P92 VanDerWaalsContact C-CD 3.44Å; P92-W94 PolarHBondContact O-N 2.64Å
93G96.3Very high97.4Very high22 Ų2243.5 Ų43.523%0.22724%0.244CC..  trans88.6-2.1169.200000115.5N95 A96 Q97G93-N95 PolarHBondContact O-N 3.23Å; G93-A96 PolarHBondContact O-N 2.83Å; G93-Q97 WeakPolarHBondContact O-CG 3.34Å; G93-Q97 PolarHBondContact O-N 2.69Å
94W98.4Very high97.5Very high0 Ų047 Ų470%026%0.258CS..Hα-helixtrans-53.8-50.9174.3-83.5102.5000112.7K11 L15 C31 L33 L38 F73 C87 D91 P92 A96 Q97 I98K11-W94 HydrophobicContact CD-CD2 3.97Å; K11-W94 HydrophobicContact CD-CE3 4.2Å; K11-W94 HydrophobicContact CD-CG 4.41Å; K11-W94 HydrophobicContact CD-CH2 4.45Å; K11-W94 HydrophobicContact CD-CZ2 4.23Å; K11-W94 HydrophobicContact CD-CZ3 4.44Å; K11-W94 HydrophobicContact CG-CH2 4.06Å; K11-W94 HydrophobicContact CG-CZ2 4.09Å; K11-W94 HydrophobicContact CG-CZ3 4.33Å; L15-W94 HydrophobicContact CD1-CD2 3.81Å; L15-W94 HydrophobicContact CD1-CE3 3.59Å; L15-W94 HydrophobicContact CD1-CG 4.36Å; L15-W94 HydrophobicContact CD1-CH2 4.48Å; L15-W94 HydrophobicContact CD1-CZ3 3.94Å; L15-W94 HydrophobicContact CD2-CB 3.84Å; L15-W94 HydrophobicContact CD2-CD2 3.55Å; L15-W94 HydrophobicContact CD2-CE3 4.22Å; L15-W94 HydrophobicContact CD2-CG 3.37Å; L15-W94 HydrophobicContact CG-CD2 3.65Å; L15-W94 HydrophobicContact CG-CE3 3.93Å; L15-W94 HydrophobicContact CG-CG 4.05Å; L15-W94 HydrophobicContact CG-CH2 4.41Å; L15-W94 HydrophobicContact CG-CZ2 4.15Å; L15-W94 HydrophobicContact CG-CZ3 4.3Å; C31-W94 HydrophobicContact CB-CH2 3.44Å; C31-W94 VanDerWaalsContact CB-CH2 3.44Å; C31-W94 HydrophobicContact CB-CZ2 4.1Å; C31-W94 HydrophobicContact CB-CZ3 3.96Å; L33-W94 HydrophobicContact CB-CZ3 4.13Å; L38-W94 HydrophobicContact CD1-CE3 4.47Å; L38-W94 HydrophobicContact CD1-CZ3 3.75Å; F73-W94 HydrophobicContact CE1-CB 4.03Å; F73-W94 HydrophobicContact CZ-CB 4.04Å; C87-W94 HydrophobicContact CB-CG 4.43Å; D91-W94 PolarHBondContact OD2-NE1 3.28Å; P92-W94 PolarHBondContact O-N 2.64Å; W94-A96 VanDerWaalsContact C-N 3.34Å; W94-A96 PolarHBondContact O-N 3.08Å; W94-Q97 PolarHBondContact O-N 3.44Å; W94-I98 HydrophobicContact CE3-CD1 4.29Å; W94-I98 WeakPolarHBondContact O-CB 3.44Å; W94-I98 WeakPolarHBondContact O-CD1 3.27Å; W94-I98 WeakPolarHBondContact O-CG1 3.33Å; W94-I98 PolarHBondContact O-N 2.95Å
95N98Very high97.5Very high26 Ų2647.4 Ų47.414%0.13926%0.259CS..Hα-helixtrans-57.7-44.6177.363.8-57.7000111.9V61 V64 F73 G93 T99V61-N95 HydrophobicContact CG1-CB 4.31Å; V64-N95 HydrophobicContact CG1-CB 4.5Å; V64-N95 VanDerWaalsContact CG1-ND2 3.28Å; V64-N95 WeakPolarHBondContact CG1-ND2 3.48Å; V64-N95 HydrophobicContact CG2-CB 4.12Å; F73-N95 HydrophobicContact CB-CB 4.02Å; F73-N95 HydrophobicContact CD1-CB 3.96Å; F73-N95 HydrophobicContact CD2-CB 4.39Å; F73-N95 HydrophobicContact CG-CB 3.88Å; G93-N95 PolarHBondContact O-N 3.23Å; N95-T99 WeakPolarHBondContact O-CB 3.35Å; N95-T99 PolarHBondContact O-N 2.93Å; N95-T99 PolarHBondContact O-OG1 2.91Å
96A98.1Very high97.4Very high45 Ų4550.5 Ų50.537%0.37227%0.272SS..Hα-helixtrans-66.5-46.1-178.300000111.8G93 W94 T99 L100G93-A96 PolarHBondContact O-N 2.83Å; W94-A96 VanDerWaalsContact C-N 3.34Å; W94-A96 PolarHBondContact O-N 3.08Å; A96-T99 WeakPolarHBondContact O-CB 3.46Å; A96-T99 PolarHBondContact O-N 3.4Å; A96-L100 WeakPolarHBondContact O-CG 3.26Å; A96-L100 PolarHBondContact O-N 3.06Å
97Q98.4Very high97.4Very high67 Ų6753 Ų5331%0.31329%0.289SS..Hα-helixtrans-70-37.2-180-66.6-17513.900112.7L33 G93 W94 T99 L100 G101L33-Q97 HydrophobicContact CD2-CB 3.78Å; G93-Q97 WeakPolarHBondContact O-CG 3.34Å; G93-Q97 PolarHBondContact O-N 2.69Å; W94-Q97 PolarHBondContact O-N 3.44Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; Q97-L100 PolarHBondContact O-N 3Å; Q97-G101 PolarHBondContact O-N 2.77Å
98I98.7Very high97.4Very high1 Ų156.8 Ų56.81%0.00531%0.307CS..Hα-helixtrans-61.7-43.1171.9-67.6167.2000109.7L33 L38 F55 V61 F73 L75 W94 G101 L102L33-I98 HydrophobicContact CD1-CG1 3.9Å; L33-I98 HydrophobicContact CD2-CG1 3.97Å; L38-I98 HydrophobicContact CD2-CD1 4.25Å; F55-I98 HydrophobicContact CE1-CG2 4.07Å; V61-I98 HydrophobicContact CG2-CB 4.38Å; V61-I98 HydrophobicContact CG2-CG2 3.68Å; F73-I98 HydrophobicContact CE2-CD1 3.77Å; F73-I98 HydrophobicContact CZ-CD1 4.04Å; L75-I98 HydrophobicContact CD2-CG2 3.9Å; W94-I98 HydrophobicContact CE3-CD1 4.29Å; W94-I98 WeakPolarHBondContact O-CB 3.44Å; W94-I98 WeakPolarHBondContact O-CD1 3.27Å; W94-I98 WeakPolarHBondContact O-CG1 3.33Å; W94-I98 PolarHBondContact O-N 2.95Å; I98-G101 PolarHBondContact O-N 3.44Å; I98-L102 VanDerWaalsContact O-CB 3.3Å; I98-L102 WeakPolarHBondContact O-CB 3.5Å; I98-L102 PolarHBondContact O-N 2.89Å
99T98.7Very high97.4Very high54 Ų5459.1 Ų59.133%0.33132%0.315SS..Hα-helixtrans-60.1-49.2177.3-59.30000111.4N95 A96 Q97 G101 L102 V103N95-T99 WeakPolarHBondContact O-CB 3.35Å; N95-T99 PolarHBondContact O-N 2.93Å; N95-T99 PolarHBondContact O-OG1 2.91Å; A96-T99 WeakPolarHBondContact O-CB 3.46Å; A96-T99 PolarHBondContact O-N 3.4Å; Q97-T99 VanDerWaalsContact C-N 3.3Å; T99-G101 PolarHBondContact O-N 3.22Å; T99-L102 PolarHBondContact O-N 3.11Å; T99-V103 HydrophobicContact CG2-CG2 4.5Å; T99-V103 WeakPolarHBondContact O-CG2 3.22Å; T99-V103 PolarHBondContact O-N 3.24Å
100L98.5Very high97.5Very high124 Ų12458.1 Ų58.165%0.64932%0.317SS*.Hα-helixtrans-61.6-43.8177.7-71.2171.9000112.1A96 Q97 L102 V103 K104A96-L100 WeakPolarHBondContact O-CG 3.26Å; A96-L100 PolarHBondContact O-N 3.06Å; Q97-L100 PolarHBondContact O-N 3Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L100-L102 PolarHBondContact O-N 3.46Å; L100-V103 PolarHBondContact O-N 3.04Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 2.86Å
101G98.2Very high97.6Very high5 Ų553.9 Ų53.95%0.05230%0.299CS..Hα-helixtrans-60.1-44.1175.500000112.2Q97 I98 T99 K104 F105Q97-G101 PolarHBondContact O-N 2.77Å; I98-G101 PolarHBondContact O-N 3.44Å; T99-G101 PolarHBondContact O-N 3.22Å; G101-K104 PolarHBondContact O-N 2.95Å; G101-F105 WeakPolarHBondContact O-CB 3.1Å; G101-F105 PolarHBondContact O-N 3.04Å
102L98.6Very high97.7Very high8 Ų857.9 Ų57.94%0.04232%0.316CS..Hα-helixtrans-63.7-46.6177.8-179.361.2000112.1F55 I58 I98 T99 L100 F105 K106F55-L102 HydrophobicContact CB-CD1 3.93Å; F55-L102 HydrophobicContact CD1-CB 4.08Å; F55-L102 HydrophobicContact CD1-CD1 3.86Å; F55-L102 HydrophobicContact CE1-CB 4.1Å; F55-L102 HydrophobicContact CG-CD1 4.1Å; I58-L102 HydrophobicContact CB-CD1 4.14Å; I58-L102 HydrophobicContact CG2-CD1 4.29Å; I58-L102 HydrophobicContact CG2-CD2 3.81Å; I58-L102 WeakPolarHBondContact O-CD1 3.47Å; I98-L102 VanDerWaalsContact O-CB 3.3Å; I98-L102 WeakPolarHBondContact O-CB 3.5Å; I98-L102 PolarHBondContact O-N 2.89Å; T99-L102 PolarHBondContact O-N 3.11Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L100-L102 PolarHBondContact O-N 3.46Å; L102-F105 PolarHBondContact O-N 3.17Å; L102-K106 HydrophobicContact CD1-CD 4.21Å; L102-K106 HydrophobicContact CD1-CG 4.26Å; L102-K106 HydrophobicContact CG-CD 4.38Å; L102-K106 WeakPolarHBondContact O-CG 3.49Å; L102-K106 PolarHBondContact O-N 3.38Å
103V98.5Very high97.7Very high92 Ų9257.6 Ų57.656%0.55831%0.313SS*.Hα-helixtrans-61.7-46.31781700000110.6T99 L100 F105 K106 N107T99-V103 HydrophobicContact CG2-CG2 4.5Å; T99-V103 WeakPolarHBondContact O-CG2 3.22Å; T99-V103 PolarHBondContact O-N 3.24Å; L100-V103 PolarHBondContact O-N 3.04Å; V103-F105 VanDerWaalsContact C-N 3.34Å; V103-F105 PolarHBondContact O-N 2.89Å; V103-K106 PolarHBondContact O-N 2.83Å; V103-N107 VanDerWaalsContact O-CB 3.25Å; V103-N107 WeakPolarHBondContact O-CB 3.37Å; V103-N107 PolarHBondContact O-N 3.07Å
104K98.1Very high97.7Very high101 Ų10159.9 Ų59.944%0.43932%0.323SS..Hα-helixtrans-57.7-48176.3-175.6-178-178.5-175.60111E35 L100 G101 N107 Q108E35-K104 IonicContact OE1-NZ 2.81Å; E35-K104 PolarHBondContact OE1-NZ 2.8Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 2.86Å; G101-K104 PolarHBondContact O-N 2.95Å; K104-N107 PolarHBondContact O-N 3.49Å; K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.41Å; K104-Q108 PolarHBondContact O-N 3.49Å
105F97.8Very high97.5Very high31 Ų3167.8 Ų67.814%0.13635%0.353CS..Hα-helixtrans-60.9-48.6179.6-179.3-90.2000112.1F55 A56 G101 L102 V103 N107 Q108 Q109F55-F105 HydrophobicContact CB-CB 3.99Å; F55-F105 HydrophobicContact CB-CD1 3.54Å; F55-F105 HydrophobicContact CB-CD2 4.12Å; F55-F105 HydrophobicContact CB-CE1 4Å; F55-F105 HydrophobicContact CB-CG 3.61Å; F55-F105 HydrophobicContact CB-CZ 4.48Å; F55-F105 HydrophobicContact CD2-CB 3.86Å; F55-F105 HydrophobicContact CD2-CD2 4.4Å; F55-F105 HydrophobicContact CD2-CG 4.15Å; F55-F105 HydrophobicContact CG-CB 4.3Å; F55-F105 HydrophobicContact CG-CG 4.36Å; A56-F105 HydrophobicContact CB-CE1 4.02Å; A56-F105 HydrophobicContact CB-CZ 3.95Å; G101-F105 WeakPolarHBondContact O-CB 3.1Å; G101-F105 PolarHBondContact O-N 3.04Å; L102-F105 PolarHBondContact O-N 3.17Å; V103-F105 VanDerWaalsContact C-N 3.34Å; V103-F105 PolarHBondContact O-N 2.89Å; F105-N107 PolarHBondContact O-N 3.42Å; F105-Q108 PolarHBondContact O-N 3.43Å; F105-Q109 HydrophobicContact CD1-CG 4.4Å; F105-Q109 HydrophobicContact CE1-CG 4.02Å; F105-Q109 HydrophobicContact CZ-CG 4.32Å; F105-Q109 PolarHBondContact O-N 2.88Å
106K97.6Very high97.3Very high66 Ų6668.9 Ų68.929%0.28737%0.365SS..Hα-helixtrans-65.2-39179-73.2-170.6167.3-167.50112.3I58 K59 E78 L102 V103 Q109 A110I58-K106 VanDerWaalsContact O-CE 3.24Å; I58-K106 WeakPolarHBondContact O-CE 3.42Å; I58-K106 PolarHBondContact O-NZ 2.99Å; K59-K106 PolarHBondContact O-NZ 2.86Å; E78-K106 IonicContact OE1-NZ 3.15Å; E78-K106 PolarHBondContact OE1-NZ 3.28Å; L102-K106 HydrophobicContact CD1-CD 4.21Å; L102-K106 HydrophobicContact CD1-CG 4.26Å; L102-K106 HydrophobicContact CG-CD 4.38Å; L102-K106 WeakPolarHBondContact O-CG 3.49Å; L102-K106 PolarHBondContact O-N 3.38Å; V103-K106 PolarHBondContact O-N 2.83Å; K106-Q109 PolarHBondContact O-N 2.87Å; K106-A110 PolarHBondContact O-N 2.79Å
107N98.2Very high97Very high94 Ų9475 Ų7550%0.50338%0.379SS..Hα-helixtrans-62-43.4174.9-178.7-96.1000111.8V103 K104 F105 Q109 A110 I111V103-N107 VanDerWaalsContact O-CB 3.25Å; V103-N107 WeakPolarHBondContact O-CB 3.37Å; V103-N107 PolarHBondContact O-N 3.07Å; K104-N107 PolarHBondContact O-N 3.49Å; F105-N107 PolarHBondContact O-N 3.42Å; N107-Q109 PolarHBondContact O-N 3.13Å; N107-A110 PolarHBondContact O-N 2.86Å; N107-I111 WeakPolarHBondContact O-CG1 3.2Å; N107-I111 PolarHBondContact O-N 3.26Å; N107-I111 VanDerWaalsContact OD1-CD1 3.29Å; N107-I111 WeakPolarHBondContact OD1-CD1 3.26Å
108Q97.5Very high96.7Very high81 Ų8177.4 Ų77.438%0.37939%0.39SS..Hα-helixtrans-61.2-44.3175.6-73.4172.4-21.400112.2K104 F105 A110 I111 Q112K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.41Å; K104-Q108 PolarHBondContact O-N 3.49Å; F105-Q108 PolarHBondContact O-N 3.43Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 3.22Å; Q108-I111 PolarHBondContact O-N 3.22Å; Q108-Q112 VanDerWaalsContact O-CG 3.3Å; Q108-Q112 WeakPolarHBondContact O-CG 3.49Å; Q108-Q112 PolarHBondContact O-N 2.91Å
109Q96.1Very high96.3Very high80 Ų8081.3 Ų81.337%0.37442%0.417SS..Hα-helixtrans-61.4-40.5175.5-72.4-169.6-27.500112.3F105 K106 N107 Q112 T113F105-Q109 HydrophobicContact CD1-CG 4.4Å; F105-Q109 HydrophobicContact CE1-CG 4.02Å; F105-Q109 HydrophobicContact CZ-CG 4.32Å; F105-Q109 PolarHBondContact O-N 2.88Å; K106-Q109 PolarHBondContact O-N 2.87Å; N107-Q109 PolarHBondContact O-N 3.13Å; Q109-Q112 PolarHBondContact O-N 3.46Å; Q109-T113 WeakPolarHBondContact O-CB 3.38Å; Q109-T113 PolarHBondContact O-N 2.77Å; Q109-T113 PolarHBondContact O-OG1 2.94Å
110A96.8Very high95.7Very high53 Ų5384.7 Ų84.744%0.43843%0.433SS..Hα-helixtrans-63.2-46.8176.700000111.4K106 N107 Q108 Q112 T113 V114K106-A110 PolarHBondContact O-N 2.79Å; N107-A110 PolarHBondContact O-N 2.86Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 3.22Å; A110-Q112 PolarHBondContact O-N 2.9Å; A110-T113 WeakPolarHBondContact O-CB 3.34Å; A110-T113 PolarHBondContact O-N 3.24Å; A110-V114 WeakPolarHBondContact O-CG2 3.26Å; A110-V114 PolarHBondContact O-N 2.72Å
111I97.6Very high94.5Very high69 Ų6980.8 Ų80.835%0.35442%0.422SS..Hα-helixtrans-60.1-45176.7-68.9167.7000111.1N107 Q108 T113 V114 R115N107-I111 WeakPolarHBondContact O-CG1 3.2Å; N107-I111 PolarHBondContact O-N 3.26Å; N107-I111 VanDerWaalsContact OD1-CD1 3.29Å; N107-I111 WeakPolarHBondContact OD1-CD1 3.26Å; Q108-I111 PolarHBondContact O-N 3.22Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.29Å; I111-V114 PolarHBondContact O-N 2.91Å; I111-R115 HydrophobicContact CG2-CG 4.44Å; I111-R115 WeakPolarHBondContact O-CG 3.3Å; I111-R115 PolarHBondContact O-N 2.79Å
112Q96.1Very high92.7Very high127 Ų12785.5 Ų85.559%0.59345%0.45SS*.Hα-helixtrans-61.3-42.6177.7-74.2172.5-8.300111.7Q108 Q109 A110 V114 R115 A116Q108-Q112 VanDerWaalsContact O-CG 3.3Å; Q108-Q112 WeakPolarHBondContact O-CG 3.49Å; Q108-Q112 PolarHBondContact O-N 2.91Å; Q109-Q112 PolarHBondContact O-N 3.46Å; A110-Q112 PolarHBondContact O-N 2.9Å; Q112-V114 PolarHBondContact O-N 2.7Å; Q112-R115 PolarHBondContact O-N 3.47Å; Q112-A116 WeakPolarHBondContact O-CB 3.33Å; Q112-A116 PolarHBondContact O-N 3Å
113T95.7Very high90.7Very high64 Ų6488 Ų8839%0.39348%0.477SS..Hα-helixtrans-62.1-43.1177-60.30000111.5Q109 A110 I111 A116 R117Q109-T113 WeakPolarHBondContact O-CB 3.38Å; Q109-T113 PolarHBondContact O-N 2.77Å; Q109-T113 PolarHBondContact O-OG1 2.94Å; A110-T113 WeakPolarHBondContact O-CB 3.34Å; A110-T113 PolarHBondContact O-N 3.24Å; I111-T113 VanDerWaalsContact C-N 3.33Å; I111-T113 PolarHBondContact O-N 3.29Å; T113-A116 PolarHBondContact O-N 2.87Å; T113-R117 WeakPolarHBondContact O-CG 3.48Å; T113-R117 PolarHBondContact O-N 2.82Å; T113-R117 VanDerWaalsContact O-N 3.11Å
114V95.5Very high88.6Confident69 Ų6989 Ų8942%0.41848%0.484SS..Hα-helixtrans-63.3-47.6176.41710000111A110 I111 Q112 A116 R117 Q118A110-V114 WeakPolarHBondContact O-CG2 3.26Å; A110-V114 PolarHBondContact O-N 2.72Å; I111-V114 PolarHBondContact O-N 2.91Å; Q112-V114 PolarHBondContact O-N 2.7Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 2.76Å; V114-R117 PolarHBondContact O-N 2.9Å; V114-Q118 WeakPolarHBondContact O-CG 3.47Å; V114-Q118 PolarHBondContact O-N 2.93Å
115R95.1Very high86.5Confident167 Ų16791.5 Ų91.563%0.6350%0.501SS*.Hα-helixtrans-59.7-42.8178.1-73.4177.4178.2-179.7-0.2112.1I111 Q112 R117 Q118 S119I111-R115 HydrophobicContact CG2-CG 4.44Å; I111-R115 WeakPolarHBondContact O-CG 3.3Å; I111-R115 PolarHBondContact O-N 2.79Å; Q112-R115 PolarHBondContact O-N 3.47Å; R115-R117 VanDerWaalsContact C-N 3.35Å; R115-R117 PolarHBondContact O-N 3.04Å; R115-Q118 PolarHBondContact O-N 3.47Å; R115-S119 PolarHBondContact O-N 2.62Å; R115-S119 PolarHBondContact O-OG 3.3Å
116A93.2Very high84.1Confident49 Ų4996.3 Ų96.341%0.40553%0.533SS..Hα-helixtrans-62.1-41.4177.400000112.1Q112 T113 V114 S119 L120Q112-A116 WeakPolarHBondContact O-CB 3.33Å; Q112-A116 PolarHBondContact O-N 3Å; T113-A116 PolarHBondContact O-N 2.87Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 2.76Å; A116-S119 WeakPolarHBondContact CA-OG 3.18Å; A116-S119 PolarHBondContact O-N 2.65Å; A116-S119 PolarHBondContact O-OG 3.48Å; A116-L120 WeakPolarHBondContact O-CG 3.49Å; A116-L120 PolarHBondContact O-N 2.68Å; A116-L120 VanDerWaalsContact O-N 3.15Å
117R92.4Very high81.5Confident173 Ų173101.8 Ų101.865%0.65358%0.579SS**Hα-helixtrans-64.2-41.4175.1-71.2171.5-178.1168.21112.1T113 V114 R115 L120 G121T113-R117 WeakPolarHBondContact O-CG 3.48Å; T113-R117 PolarHBondContact O-N 2.82Å; T113-R117 VanDerWaalsContact O-N 3.11Å; V114-R117 PolarHBondContact O-N 2.9Å; R115-R117 VanDerWaalsContact C-N 3.35Å; R115-R117 PolarHBondContact O-N 3.04Å; R117-L120 PolarHBondContact O-N 3.11Å; R117-G121 PolarHBondContact O-N 3.04Å
118Q92Very high80.7Confident118 Ų118102.2 Ų102.255%0.55158%0.583SS**Hα-helixtrans-63.8-43.6176.8-71.8171.8-22.200111.6V114 R115 L120 G121 T122V114-Q118 WeakPolarHBondContact O-CG 3.47Å; V114-Q118 PolarHBondContact O-N 2.93Å; R115-Q118 PolarHBondContact O-N 3.47Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 2.87Å; Q118-G121 PolarHBondContact O-N 2.93Å; Q118-T122 PolarHBondContact O-N 2.89Å; Q118-T122 VanDerWaalsContact O-N 3.1Å; Q118-T122 PolarHBondContact O-OG1 3.22Å
119S89.7Confident79.8Confident82 Ų82103.3 Ų103.357%0.57359%0.594SS**Hα-helixtrans-63.3-32.1176.954.40000113.5R115 A116R115-S119 PolarHBondContact O-N 2.62Å; R115-S119 PolarHBondContact O-OG 3.3Å; A116-S119 WeakPolarHBondContact CA-OG 3.18Å; A116-S119 PolarHBondContact O-N 2.65Å; A116-S119 PolarHBondContact O-OG 3.48Å
120L85.8Confident78.9Confident126 Ų126104.6 Ų104.666%0.6661%0.606SS**Hα-helixtrans-73.7-42.5175.5-70.4166.4000111.6A116 R117 Q118 T122 G123 T124A116-L120 WeakPolarHBondContact O-CG 3.49Å; A116-L120 PolarHBondContact O-N 2.68Å; A116-L120 VanDerWaalsContact O-N 3.15Å; R117-L120 PolarHBondContact O-N 3.11Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 2.87Å; L120-T122 PolarHBondContact O-N 2.82Å; L120-G123 PolarHBondContact O-N 3.21Å; L120-T124 PolarHBondContact O-OG1 3.07Å
121G73.1Confident77.9Confident42 Ų42107.6 Ų107.643%0.43362%0.616SS.*Hα-helixtrans-65.4-36-179.800000114R117 Q118 G123 T124R117-G121 PolarHBondContact O-N 3.04Å; Q118-G121 PolarHBondContact O-N 2.93Å; G121-G123 VanDerWaalsContact C-N 3.29Å; G121-G123 PolarHBondContact O-N 2.81Å; G121-T124 PolarHBondContact O-N 3.09Å
122T62.3Low76.6Confident104 Ų104110 Ų11064%0.63863%0.633SS**Hα-helixtrans-70.9-26177-43.40000112.4Q118 L120 T124Q118-T122 PolarHBondContact O-N 2.89Å; Q118-T122 VanDerWaalsContact O-N 3.1Å; Q118-T122 PolarHBondContact O-OG1 3.22Å; L120-T122 PolarHBondContact O-N 2.82Å; T122-T124 VanDerWaalsContact C-N 3.32Å; T122-T124 PolarHBondContact O-N 3.31Å
123G56.4Low75.3Confident59 Ų59108.9 Ų108.961%0.60864%0.635SS**Hα-helixtrans-73.9-18.4178.700000114.5L120 G121L120-G123 PolarHBondContact O-N 3.21Å; G121-G123 VanDerWaalsContact C-N 3.29Å; G121-G123 PolarHBondContact O-N 2.81Å
124T54.3Low73.9Confident113 Ų113112.1 Ų112.169%0.69365%0.652SS**THydrogen-bonded Turntrans-90.3-12.7-176.7-45.70000113.6L120 G121 T122L120-T124 PolarHBondContact O-OG1 3.07Å; G121-T124 PolarHBondContact O-N 3.09Å; T122-T124 VanDerWaalsContact C-N 3.32Å; T122-T124 PolarHBondContact O-N 3.31Å
125L54.4Low72.2Confident154 Ų154115.4 Ų115.481%0.80667%0.67SS**SBendtrans-94.414.7-178.3-70.7174.2000114.5
126V46.5Very low70.3Confident133 Ų133111.1 Ų111.181%0.80667%0.674SS**  trans-116.780.3169.6-167.30000108.8
127S43.7Very low68.2Low180 Ų180116.7 Ų116.7100%1.25970%0.698SS**  trans-134.20156.274.90000108

Retrieved 127 of 127 residues in 35.3 ms (Link to these results)

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