A0A077ZGZ1_TRITR Loading...

Mitochondrial polypeptide chain release factor

AlphaFold DB , UniProt , Accession A0A077ZGZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 150 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.4Very low54.2Low225 Ų225145.5 Ų145.5100%1.10873%0.734SS**  0108.10-64-169.8-158.100108.6F3M1-F3 PolarHBondContact O-N 3.27Å; M1-F3 VanDerWaalsContact O-N 3.13Å
2L49.5Very low54.2Low173 Ų173145.9 Ų145.991%0.90673%0.727SS**  trans-74.8101.2179.4-73.5162.4000108.9N4L2-N4 PolarHBondContact O-N 3.04Å
3F47.8Very low54.5Low189 Ų189138.6 Ų138.683%0.82970%0.704SS**  trans-66.192.8173.9-92.8-96.1000109.6M1 C5M1-F3 PolarHBondContact O-N 3.27Å; M1-F3 VanDerWaalsContact O-N 3.13Å; F3-C5 PolarHBondContact O-N 3.3Å
4N55.3Low54.5Low160 Ų160137.7 Ų137.786%0.85669%0.693SS**  trans-68.982.2164.7-85.4-28.9000109L2 R6L2-N4 PolarHBondContact O-N 3.04Å; N4-R6 PolarHBondContact O-N 2.97Å
5C57.5Low54.3Low74 Ų74135.9 Ų135.950%0.569%0.685SS.*  trans-65.4119.5176.8-1740000110.2F3 C7 C8F3-C5 PolarHBondContact O-N 3.3Å; C5-C7 PolarHBondContact O-N 3.24Å; C5-C8 PolarHBondContact O-N 3.24Å
6R57.6Low54.3Low218 Ų218135.6 Ų135.682%0.82368%0.681SS**Hα-helixtrans-54.8-18.6173.6-76.3178.4175.8178.8-1.3113.4N4 C8 S9N4-R6 PolarHBondContact O-N 2.97Å; R6-C8 VanDerWaalsContact C-N 3.31Å; R6-C8 PolarHBondContact O-N 3.16Å; R6-S9 PolarHBondContact O-OG 2.96Å
7C57Low54.3Low91 Ų91138.4 Ų138.462%0.61569%0.687SS**Hα-helixtrans-69.7-23.8173.9-74.90000113.8C5 R11C5-C7 PolarHBondContact O-N 3.24Å; C7-R11 PolarHBondContact O-N 3.19Å
8C55Low54.3Low77 Ų77137.9 Ų137.952%0.5269%0.685SS.*Hα-helixtrans-81.5-34.5-174.3-149.50000112.6C5 R6 K12C5-C8 PolarHBondContact O-N 3.24Å; R6-C8 VanDerWaalsContact C-N 3.31Å; R6-C8 PolarHBondContact O-N 3.16Å; C8-K12 WeakPolarHBondContact O-CG 3.28Å; C8-K12 PolarHBondContact O-N 3.35Å; C8-K12 VanDerWaalsContact O-N 3.17Å
9S56.5Low54.4Low78 Ų78138.2 Ų138.255%0.54569%0.689SS.*Hα-helixtrans-70.7-37.6176.358.40000112.4R6 K12 A13R6-S9 PolarHBondContact O-OG 2.96Å; S9-K12 PolarHBondContact O-N 3.49Å; S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.27Å
10L59.9Low54.6Low123 Ų123137.8 Ų137.864%0.64469%0.687SS**Hα-helixtrans-66-40.8176-74.1165.3000112A13 F14L10-A13 PolarHBondContact O-N 3.43Å; L10-F14 WeakPolarHBondContact O-CB 3.48Å; L10-F14 PolarHBondContact O-N 3.27Å
11R58.3Low55.3Low192 Ų192140 Ų14073%0.72569%0.687SS**Hα-helixtrans-64.2-41.8174.6-101.6-175.5176.9-157.2-0.1112.5C7 F14 L15C7-R11 PolarHBondContact O-N 3.19Å; R11-F14 PolarHBondContact O-N 3.34Å; R11-L15 WeakPolarHBondContact O-CB 3.45Å; R11-L15 WeakPolarHBondContact O-CG 3.47Å; R11-L15 PolarHBondContact O-N 3.02Å
12K55.1Low56.9Low151 Ų151132.5 Ų132.566%0.65765%0.646SS**Hα-helixtrans-63.4-46.7176.6-73.4-174.6-178.9-175.10111.5C8 S9 F14 L15 Q16C8-K12 WeakPolarHBondContact O-CG 3.28Å; C8-K12 PolarHBondContact O-N 3.35Å; C8-K12 VanDerWaalsContact O-N 3.17Å; S9-K12 PolarHBondContact O-N 3.49Å; K12-F14 VanDerWaalsContact C-N 3.31Å; K12-F14 PolarHBondContact O-N 3.02Å; K12-L15 PolarHBondContact O-N 3.4Å; K12-Q16 WeakPolarHBondContact O-CB 3.39Å; K12-Q16 PolarHBondContact O-N 3.05Å
13A57.6Low58.3Low51 Ų51127.5 Ų127.542%0.42162%0.62SS.*Hα-helixtrans-64.4-34.2176.200000112.9S9 L10 K17S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.27Å; L10-A13 PolarHBondContact O-N 3.43Å; A13-K17 PolarHBondContact O-N 3.27Å; A13-K17 VanDerWaalsContact O-N 3.15Å
14F54.4Low60.1Low126 Ų126121 Ų12155%0.55360%0.598SS**Hα-helixtrans-69.8-46176.8-175.1-97.1000112.3L10 R11 K12 Q16 K17 M18L10-F14 WeakPolarHBondContact O-CB 3.48Å; L10-F14 PolarHBondContact O-N 3.27Å; R11-F14 PolarHBondContact O-N 3.34Å; K12-F14 VanDerWaalsContact C-N 3.31Å; K12-F14 PolarHBondContact O-N 3.02Å; F14-Q16 VanDerWaalsContact C-N 3.29Å; F14-Q16 PolarHBondContact O-N 2.74Å; F14-K17 PolarHBondContact O-N 2.93Å; F14-K17 VanDerWaalsContact O-N 3.15Å; F14-M18 HydrophobicContact CD1-CG 4.14Å; F14-M18 HydrophobicContact CE1-CG 3.79Å; F14-M18 HydrophobicContact CE1-SD 4.34Å; F14-M18 HydrophobicContact CZ-CG 4.01Å; F14-M18 HydrophobicContact CZ-SD 4.07Å; F14-M18 WeakPolarHBondContact O-CG 3.35Å; F14-M18 PolarHBondContact O-N 2.95Å
15L51.5Low61.6Low110 Ų110118.5 Ų118.558%0.57658%0.577SS**Hα-helixtrans-63-36.8175.2-73.8165.9000111.8R11 K12 K17 M18 N19R11-L15 WeakPolarHBondContact O-CB 3.45Å; R11-L15 WeakPolarHBondContact O-CG 3.47Å; R11-L15 PolarHBondContact O-N 3.02Å; K12-L15 PolarHBondContact O-N 3.4Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.32Å; L15-M18 PolarHBondContact O-N 3.19Å; L15-N19 PolarHBondContact O-N 2.97Å
16Q54.1Low62.9Low132 Ų132124.8 Ų124.862%0.61760%0.595SS**Hα-helixtrans-66.6-30.8175.9-150.8169.415.700112.1K12 F14 M20K12-Q16 WeakPolarHBondContact O-CB 3.39Å; K12-Q16 PolarHBondContact O-N 3.05Å; F14-Q16 VanDerWaalsContact C-N 3.29Å; F14-Q16 PolarHBondContact O-N 2.74Å; Q16-M20 HydrophobicContact CG-CE 4.32Å; Q16-M20 WeakPolarHBondContact O-CG 3.4Å
17K54.8Low64.3Low182 Ų182119.5 Ų119.579%0.79158%0.58SS**Hα-helixtrans-76.3-33.5173.3-85.5179.9175.91790113.9A13 F14 L15A13-K17 PolarHBondContact O-N 3.27Å; A13-K17 VanDerWaalsContact O-N 3.15Å; F14-K17 PolarHBondContact O-N 2.93Å; F14-K17 VanDerWaalsContact O-N 3.15Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.32Å
18M54.9Low65.8Low130 Ų130116.6 Ų116.664%0.6456%0.557SS**Hα-helixtrans-76.8-20.6-173.5-72.8-78.1-73.900113.8F14 L15F14-M18 HydrophobicContact CD1-CG 4.14Å; F14-M18 HydrophobicContact CE1-CG 3.79Å; F14-M18 HydrophobicContact CE1-SD 4.34Å; F14-M18 HydrophobicContact CZ-CG 4.01Å; F14-M18 HydrophobicContact CZ-SD 4.07Å; F14-M18 WeakPolarHBondContact O-CG 3.35Å; F14-M18 PolarHBondContact O-N 2.95Å; L15-M18 PolarHBondContact O-N 3.19Å
19N54.8Low67.5Low144 Ų144124 Ų12477%0.7757%0.574SS**THydrogen-bonded Turntrans-115.711.5-173.8-90.2-5.4000115.5L15 R21L15-N19 PolarHBondContact O-N 2.97Å; N19-R21 VanDerWaalsContact C-N 3.32Å; N19-R21 PolarHBondContact O-N 3.36Å
20M58.5Low69.1Low130 Ų130122.8 Ų122.864%0.6456%0.558SS**  trans-83.278.4177.8-73.2-76.6146.500110.6Q16Q16-M20 HydrophobicContact CG-CE 4.32Å; Q16-M20 WeakPolarHBondContact O-CG 3.4Å
21R70.1Confident70.6Confident184 Ų184118.6 Ų118.669%0.69454%0.539SS*.PPolyproline II helixtrans-75.8120.8164.2-16817887.71769.5108N19 I23 E27N19-R21 VanDerWaalsContact C-N 3.32Å; N19-R21 PolarHBondContact O-N 3.36Å; R21-I23 PolarHBondContact O-N 3.48Å; R21-E27 IonicContact NH2-OE1 3.86Å; R21-E27 PolarHBondContact NH2-OE1 3.47Å; R21-E27 VanDerWaalsContact NH2-OE1 3.07Å; R21-E27 IonicContact NH2-OE2 3.47Å; R21-E27 PolarHBondContact NH2-OE2 3.45Å
22W73.9Confident72Confident67 Ų67118.6 Ų118.625%0.25455%0.547SS..PPolyproline II helixtrans-56.4125.8172.7-55.6104.6000110S24 Q107 Q110 E111 E114W22-S24 PolarHBondContact O-N 3Å; W22-Q107 HydrophobicContact CE3-CB 4.47Å; W22-Q107 HydrophobicContact CZ3-CB 4.47Å; W22-Q107 WeakPolarHBondContact CZ3-O 3.23Å; W22-Q110 HydrophobicContact CH2-CB 3.82Å; W22-Q110 HydrophobicContact CH2-CG 3.76Å; W22-Q110 HydrophobicContact CZ3-CB 3.96Å; W22-Q110 HydrophobicContact CZ3-CG 4.32Å; W22-E111 HydrophobicContact CB-CG 4.4Å; W22-E111 VanDerWaalsContact CD1-CD 3.5Å; W22-E111 HydrophobicContact CD2-CB 3.36Å; W22-E111 HydrophobicContact CD2-CG 3.57Å; W22-E111 VanDerWaalsContact CE2-CB 3.49Å; W22-E111 HydrophobicContact CE3-CB 3.56Å; W22-E111 HydrophobicContact CE3-CG 4.28Å; W22-E111 HydrophobicContact CG-CB 3.89Å; W22-E111 HydrophobicContact CG-CG 3.57Å; W22-E111 VanDerWaalsContact CH2-CA 3.49Å; W22-E111 HydrophobicContact CH2-CB 3.99Å; W22-E111 HydrophobicContact CZ2-CB 3.82Å; W22-E111 HydrophobicContact CZ2-CG 4.24Å; W22-E111 HydrophobicContact CZ3-CB 3.87Å; W22-E114 HydrophobicContact CZ2-CG 4.48Å; W22-E114 WeakPolarHBondContact CZ2-OE2 3.46Å
23I79.7Confident73.7Confident68 Ų68113.3 Ų113.335%0.34953%0.526SS..PPolyproline II helixtrans-71.7130.3-176.5-55.8174.6000108.6R21 E27 Y28R21-I23 PolarHBondContact O-N 3.48Å; I23-E27 HydrophobicContact CG2-CB 3.9Å; I23-Y28 HydrophobicContact CD1-CD2 4.37Å; I23-Y28 HydrophobicContact CG2-CD2 4.22Å
24S85.4Confident75.3Confident53 Ų53117 Ų11737%0.37153%0.532SS..PPolyproline II helixtrans-67.8146.8174.3171.80000110.7W22 K26 E27 Y28W22-S24 PolarHBondContact O-N 3Å; S24-K26 PolarHBondContact O-N 2.91Å; S24-K26 VanDerWaalsContact O-N 3.07Å; S24-K26 PolarHBondContact OG-N 3.42Å; S24-E27 PolarHBondContact O-N 3.48Å; S24-Y28 PolarHBondContact O-N 2.89Å
25R86.7Confident77.1Confident108 Ų108118.4 Ų118.441%0.40854%0.541SS..THydrogen-bonded Turntrans-54.4-31.1175-164.6-179.5-170.7-156.93.6112.6F30 E92 F104R25-F30 HydrophobicContact CG-CE2 4.13Å; R25-F30 HydrophobicContact CG-CZ 4.39Å; R25-E92 IonicContact CZ-OE1 2.63Å; R25-E92 IonicContact NE-OE1 3.45Å; R25-E92 IonicContact NH2-OE1 3.07Å; R25-E92 PolarHBondContact NH2-OE1 3.43Å; R25-F104 HydrophobicContact CB-CE1 4.25Å; R25-F104 HydrophobicContact CB-CE2 4.09Å; R25-F104 HydrophobicContact CB-CZ 3.57Å; R25-F104 HydrophobicContact CG-CE1 4.06Å; R25-F104 HydrophobicContact CG-CE2 4.49Å; R25-F104 HydrophobicContact CG-CZ 3.87Å
26K85.2Confident79.1Confident205 Ų205122 Ų12289%0.89155%0.554SS**THydrogen-bonded Turntrans-73-28.7177.7-65.1-174.4179.3-176.90113S24S24-K26 PolarHBondContact O-N 2.91Å; S24-K26 VanDerWaalsContact O-N 3.07Å; S24-K26 PolarHBondContact OG-N 3.42Å
27E87.2Confident81Confident108 Ų108118.8 Ų118.851%0.50554%0.539SS..THydrogen-bonded Turntrans-88.1-27.4-178.8-66.3175.8-179.700111.5R21 I23 S24R21-E27 IonicContact NH2-OE1 3.86Å; R21-E27 PolarHBondContact NH2-OE1 3.47Å; R21-E27 VanDerWaalsContact NH2-OE1 3.07Å; R21-E27 IonicContact NH2-OE2 3.47Å; R21-E27 PolarHBondContact NH2-OE2 3.45Å; I23-E27 HydrophobicContact CG2-CB 3.9Å; S24-E27 PolarHBondContact O-N 3.48Å
28Y89.2Confident83Confident30 Ų30111.2 Ų111.212%0.11851%0.507CS..  trans-71.9128.3-179.4-166.5-90.6000111.9I23 S24 F30 D95 N99 F104I23-Y28 HydrophobicContact CD1-CD2 4.37Å; I23-Y28 HydrophobicContact CG2-CD2 4.22Å; S24-Y28 PolarHBondContact O-N 2.89Å; Y28-F30 AromaticContact CD1-CD1 3.99Å; Y28-F30 HydrophobicContact CD1-CD1 3.99Å; Y28-F30 AromaticContact CD1-CD2 3.94Å; Y28-F30 HydrophobicContact CD1-CD2 3.94Å; Y28-F30 AromaticContact CD1-CE1 3.86Å; Y28-F30 HydrophobicContact CD1-CE1 3.86Å; Y28-F30 AromaticContact CD1-CE2 3.81Å; Y28-F30 HydrophobicContact CD1-CE2 3.81Å; Y28-F30 HydrophobicContact CD1-CG 4.03Å; Y28-F30 AromaticContact CD1-CZ 3.77Å; Y28-F30 HydrophobicContact CD1-CZ 3.77Å; Y28-F30 AromaticContact CE1-CD1 3.97Å; Y28-F30 HydrophobicContact CE1-CD1 3.97Å; Y28-F30 AromaticContact CE1-CE1 3.99Å; Y28-F30 HydrophobicContact CE1-CE1 3.99Å; Y28-F30 HydrophobicContact CE1-CG 4.33Å; Y28-F30 HydrophobicContact CE1-CZ 4.36Å; Y28-D95 WeakPolarHBondContact CE1-OD1 3.46Å; Y28-D95 VanDerWaalsContact OH-CG 3.24Å; Y28-D95 PolarHBondContact OH-OD1 3.24Å; Y28-D95 PolarHBondContact OH-OD2 3.05Å; Y28-N99 PolarHBondContact OH-ND2 3.37Å; Y28-F104 HydrophobicContact CD1-CB 3.79Å; Y28-F104 HydrophobicContact CD1-CD2 4.19Å; Y28-F104 HydrophobicContact CD1-CG 4.27Å; Y28-F104 HydrophobicContact CD2-CB 4.15Å; Y28-F104 AromaticContact CD2-CD2 3.92Å; Y28-F104 HydrophobicContact CD2-CD2 3.92Å; Y28-F104 HydrophobicContact CE1-CB 3.71Å; Y28-F104 HydrophobicContact CE2-CB 4.07Å; Y28-F104 HydrophobicContact CG-CB 4.01Å; Y28-F104 AromaticContact CG-CD2 3.67Å; Y28-F104 HydrophobicContact CG-CD2 3.67Å; Y28-F104 HydrophobicContact CG-CG 4.19Å; Y28-F104 PolarHBondContact OH-N 3.1Å
29R90.1Very high84.9Confident233 Ų233109.2 Ų109.288%0.87950%0.497SS*.  trans-91.1107.9175.8-65.4-173.5-178.2-170.5-0109.6
30F90.7Very high86.9Confident51 Ų51105 Ų10522%0.22447%0.473CS..PPolyproline II helixtrans-76.3156.5173.6-71.4-82.6000111.3R25 Y28 E92 D95 F104R25-F30 HydrophobicContact CG-CE2 4.13Å; R25-F30 HydrophobicContact CG-CZ 4.39Å; Y28-F30 AromaticContact CD1-CD1 3.99Å; Y28-F30 HydrophobicContact CD1-CD1 3.99Å; Y28-F30 AromaticContact CD1-CD2 3.94Å; Y28-F30 HydrophobicContact CD1-CD2 3.94Å; Y28-F30 AromaticContact CD1-CE1 3.86Å; Y28-F30 HydrophobicContact CD1-CE1 3.86Å; Y28-F30 AromaticContact CD1-CE2 3.81Å; Y28-F30 HydrophobicContact CD1-CE2 3.81Å; Y28-F30 HydrophobicContact CD1-CG 4.03Å; Y28-F30 AromaticContact CD1-CZ 3.77Å; Y28-F30 HydrophobicContact CD1-CZ 3.77Å; Y28-F30 AromaticContact CE1-CD1 3.97Å; Y28-F30 HydrophobicContact CE1-CD1 3.97Å; Y28-F30 AromaticContact CE1-CE1 3.99Å; Y28-F30 HydrophobicContact CE1-CE1 3.99Å; Y28-F30 HydrophobicContact CE1-CG 4.33Å; Y28-F30 HydrophobicContact CE1-CZ 4.36Å; F30-E92 HydrophobicContact CE1-CG 3.94Å; F30-E92 HydrophobicContact CZ-CG 4.42Å; F30-D95 HydrophobicContact CD1-CB 4.12Å; F30-F104 HydrophobicContact CE1-CB 3.86Å; F30-F104 HydrophobicContact CE1-CD1 4.31Å; F30-F104 HydrophobicContact CE1-CG 4.2Å; F30-F104 HydrophobicContact CZ-CB 3.92Å; F30-F104 AromaticContact CZ-CD1 3.78Å; F30-F104 HydrophobicContact CZ-CD1 3.78Å; F30-F104 HydrophobicContact CZ-CD2 4.4Å; F30-F104 HydrophobicContact CZ-CE1 4.44Å; F30-F104 AromaticContact CZ-CG 3.75Å; F30-F104 HydrophobicContact CZ-CG 3.75Å
31P89.9Confident88.7Confident36 Ų36103 Ų10323%0.23446%0.462CS..PPolyproline II helixtrans-60.9137.8171.125.6-33.5000110.7L94 D95 I98P31-L94 HydrophobicContact CG-CB 4.1Å; P31-D95 HydrophobicContact CG-CB 4.22Å; P31-I98 HydrophobicContact CB-CD1 4.13Å; P31-I98 HydrophobicContact CG-CD1 4.34Å
32E89.1Confident89.9Confident192 Ų19298.3 Ų98.390%0.89745%0.447SS*.PPolyproline II helixtrans-70.4136.6178.6-66-178.1177.700110.8
33L89.3Confident90.9Very high39 Ų3998.4 Ų98.420%0.20445%0.452CS..  trans-105.3120.7174.9-83.2-179.5000109.4L38 L90 T91 L94L33-L38 HydrophobicContact CD2-CD2 4.27Å; L33-L90 HydrophobicContact CD1-CB 4.37Å; L33-L90 HydrophobicContact CD1-CD2 4.02Å; L33-L90 HydrophobicContact CD1-CG 4.34Å; L33-L90 HydrophobicContact CD2-CD2 4.34Å; L33-T91 HydrophobicContact CD1-CG2 3.33Å; L33-T91 HydrophobicContact CG-CG2 3.77Å; L33-L94 HydrophobicContact CD2-CD1 3.19Å; L33-L94 HydrophobicContact CG-CD1 4.09Å
34K92.4Very high91.5Very high130 Ų13097.7 Ų97.757%0.56545%0.451SS*.  trans-81.4132.7169.4-64-179.2-172.7168.30109.6E36 E37K34-E36 PolarHBondContact O-N 2.97Å; K34-E37 HydrophobicContact CB-CG 4.3Å; K34-E37 IonicContact NZ-OE1 3.88Å; K34-E37 PolarHBondContact O-N 3.41Å
35E91.6Very high91.3Very high155 Ų15595.4 Ų95.472%0.72444%0.435SS*.G310 helixtrans-64.6-29.2-178.6-61.3-166.2159.200112.6E37 L38E35-E37 VanDerWaalsContact C-N 3.26Å; E35-E37 PolarHBondContact O-N 3.15Å; E35-L38 WeakPolarHBondContact O-CB 3.49Å; E35-L38 PolarHBondContact O-N 3.32Å
36E94.4Very high91.1Very high186 Ų186101.6 Ų101.687%0.86946%0.459SS*.G310 helixtrans-65.4-26.6179.3-61.6170.7-16900113.4K34 L38K34-E36 PolarHBondContact O-N 2.97Å; E36-L38 VanDerWaalsContact C-N 3.29Å
37E93.7Very high90.8Very high64 Ų6493.7 Ų93.730%0.29944%0.435SS..G310 helixtrans-90.53.8-178-64.2177.5-168.800112.3K34 E35 H64 V65 P66K34-E37 HydrophobicContact CB-CG 4.3Å; K34-E37 IonicContact NZ-OE1 3.88Å; K34-E37 PolarHBondContact O-N 3.41Å; E35-E37 VanDerWaalsContact C-N 3.26Å; E35-E37 PolarHBondContact O-N 3.15Å; E37-H64 IonicContact OE2-CE1 2.79Å; E37-H64 IonicContact OE2-NE2 3.38Å; E37-H64 PolarHBondContact OE2-NE2 3.15Å; E37-V65 WeakPolarHBondContact O-CG2 3.5Å; E37-V65 PolarHBondContact O-N 3.02Å; E37-P66 HydrophobicContact CB-CG 4.42Å; E37-P66 WeakPolarHBondContact OE2-CG 3.34Å
38L95.8Very high90.6Very high23 Ų2395.8 Ų95.812%0.1246%0.459CS..EExtended strand (participates in β ladder)trans-104.4126.7-176.8-62.4177.9000111.4L33 E35 E36 L62 K63 L90L33-L38 HydrophobicContact CD2-CD2 4.27Å; E35-L38 WeakPolarHBondContact O-CB 3.49Å; E35-L38 PolarHBondContact O-N 3.32Å; E36-L38 VanDerWaalsContact C-N 3.29Å; L38-L62 HydrophobicContact CB-CD1 4.11Å; L38-L62 HydrophobicContact CD1-CD1 4.46Å; L38-L62 HydrophobicContact CD2-CD1 4.35Å; L38-K63 WeakPolarHBondContact CA-O 3.35Å; L38-L90 HydrophobicContact CD2-CD2 3.36Å
39M96Very high90Very high87 Ų8796 Ų9643%0.42947%0.47SS..EExtended strand (participates in β ladder)trans-101.9119.7166.4-61.5173.773.400109.7K63 V65M39-K63 HydrophobicContact CB-CB 4.18Å; M39-K63 PolarHBondContact N-O 3.49Å; M39-K63 PolarHBondContact O-N 2.98Å; M39-K63 HydrophobicContact SD-CD 4.1Å; M39-V65 HydrophobicContact CG-CG2 3.48Å; M39-V65 VanDerWaalsContact CG-CG2 3.48Å; M39-V65 HydrophobicContact SD-CG2 3.64Å
40E96.1Very high89.6Confident57 Ų5787.2 Ų87.227%0.26645%0.452SS..EExtended strand (participates in β ladder)trans-100.5132.4175.8-68.7-173.5-173.900110.5F42 L62 R83 R87E40-F42 HydrophobicContact CB-CZ 4.46Å; E40-L62 HydrophobicContact CG-CD1 3.42Å; E40-L62 VanDerWaalsContact CG-CD1 3.42Å; E40-R83 IonicContact OE1-NE 3.19Å; E40-R83 IonicContact OE1-NH2 3.81Å; E40-R83 PolarHBondContact OE1-NH2 2.63Å; E40-R83 IonicContact OE2-CZ 3.67Å; E40-R83 IonicContact OE2-NE 3.73Å; E40-R83 PolarHBondContact OE2-NE 2.73Å; E40-R83 IonicContact OE2-NH2 2.86Å; E40-R83 PolarHBondContact OE2-NH2 3Å; E40-R87 IonicContact OE1-CZ 3.98Å; E40-R87 IonicContact OE1-NE 3.55Å; E40-R87 IonicContact OE1-NH2 2.75Å; E40-R87 PolarHBondContact OE1-NH2 3.49Å
41Q96.5Very high89.2Confident87 Ų8791.5 Ų91.541%0.40747%0.473SS..EExtended strand (participates in β ladder)trans-130.7139171.5-67.9-177.6-800110.1L61Q41-L61 HydrophobicContact CB-CB 4.22Å; Q41-L61 PolarHBondContact N-O 2.89Å; Q41-L61 PolarHBondContact O-N 3.09Å
42F96Very high88.7Confident85 Ų8595.3 Ų95.337%0.37349%0.491SS..EExtended strand (participates in β ladder)trans-108.5125.3178.7-53.5-60.8000110.2E40 Q57 C59 V60 L79 R83E40-F42 HydrophobicContact CB-CZ 4.46Å; F42-Q57 HydrophobicContact CB-CB 4.41Å; F42-C59 WeakPolarHBondContact CA-O 3.28Å; F42-V60 HydrophobicContact CD1-CG2 4.19Å; F42-V60 HydrophobicContact CE1-CG1 4.48Å; F42-V60 HydrophobicContact CE1-CG2 4.13Å; F42-L79 HydrophobicContact CD1-CD1 3.53Å; F42-L79 HydrophobicContact CD1-CD2 4.12Å; F42-L79 HydrophobicContact CD1-CG 4.37Å; F42-L79 HydrophobicContact CE1-CD1 3.73Å; F42-L79 HydrophobicContact CE1-CD2 4.03Å; F42-L79 HydrophobicContact CE1-CG 4.23Å; F42-L79 HydrophobicContact CG-CD1 4.46Å; F42-L79 HydrophobicContact CZ-CD2 4.36Å; F42-R83 HydrophobicContact CE1-CG 4.26Å
43I93.9Very high88.4Confident69 Ų6988.4 Ų88.435%0.35446%0.462SS..EExtended strand (participates in β ladder)trans-125.6153.8-174.9-48.6176.4000108.1Q57 C59 L61I43-Q57 CarbonylContact O-C 3.48Å; I43-Q57 WeakPolarHBondContact O-CA 3.45Å; I43-C59 HydrophobicContact CB-CB 4.37Å; I43-C59 PolarHBondContact N-O 2.97Å; I43-C59 WeakPolarHBondContact O-CA 3.42Å; I43-C59 WeakPolarHBondContact O-CB 3.46Å; I43-C59 PolarHBondContact O-N 3.32Å; I43-L61 HydrophobicContact CD1-CB 3.89Å; I43-L61 HydrophobicContact CD1-CD2 3.77Å; I43-L61 HydrophobicContact CD1-CG 4.42Å
44T91.7Very high88.1Confident53 Ų5390.7 Ų90.733%0.32547%0.474SS..  trans-70132.1166.4-54.50000110.1N54T44-N54 VanDerWaalsContact CG2-C 3.46Å; T44-N54 WeakPolarHBondContact CG2-O 3.5Å
45G82.4Confident87.7Confident5 Ų591.6 Ų91.65%0.05248%0.478CS..  trans-62143.5173.300000111.9
46R82.2Confident87.6Confident238 Ų23890.5 Ų90.590%0.89847%0.468SS*.  trans-109.7128.8169.3-173179.8-177.1-166.21.2108.3
47G79.4Confident87.5Confident39 Ų3987.8 Ų87.840%0.40246%0.455SS..SBendtrans172.8175.917600000113G49G47-G49 PolarHBondContact O-N 3.48Å
48P82.6Confident87.5Confident153 Ų15385.3 Ų85.399%0.99444%0.443SS*.SBendtrans-69.876.8172.431.6-34.9000109.2
49G75.9Confident87.4Confident34 Ų3484.2 Ų84.235%0.35144%0.438SS..  trans-124.6161.7179.700000111.1G47G47-G49 PolarHBondContact O-N 3.48Å
50G82Confident87.5Confident49 Ų4980.1 Ų80.151%0.50542%0.418SS..  trans-74.8179.917100000112.5N52 V53G50-N52 PolarHBondContact O-N 2.88Å; G50-V53 PolarHBondContact O-N 3.07Å
51Q81.9Confident87.5Confident141 Ų14178.9 Ų78.966%0.65941%0.413SS*.Hα-helixtrans-50.9-33.2179.4-59.6-17615.700113.5V53 K55Q51-V53 VanDerWaalsContact C-N 3.33Å; Q51-V53 PolarHBondContact O-N 2.98Å; Q51-K55 WeakPolarHBondContact O-CB 3.38Å; Q51-K55 VanDerWaalsContact O-CG 3.27Å; Q51-K55 WeakPolarHBondContact O-CG 3.13Å; Q51-K55 PolarHBondContact O-N 2.91Å
52N80.8Confident87.6Confident115 Ų11574.8 Ų74.862%0.61539%0.394SS*.Hα-helixtrans-68-29.2-178.8-71.3-18.7000113.6G50 R56G50-N52 PolarHBondContact O-N 2.88Å; N52-R56 WeakPolarHBondContact O-CG 3.37Å
53V82.6Confident87.6Confident48 Ų4873.1 Ų73.129%0.29139%0.386SS..Hα-helixtrans-78.3-45179.6-179.70000109.8G50 Q51 K55 R56G50-V53 PolarHBondContact O-N 3.07Å; Q51-V53 VanDerWaalsContact C-N 3.33Å; Q51-V53 PolarHBondContact O-N 2.98Å; V53-K55 PolarHBondContact O-N 3.33Å; V53-R56 PolarHBondContact O-N 3.27Å
54N81.5Confident87.7Confident86 Ų8670.4 Ų70.446%0.4637%0.372SS..Hα-helixtrans-74.4-10.7-176.5-61.8-16.1000113.6T44T44-N54 VanDerWaalsContact CG2-C 3.46Å; T44-N54 WeakPolarHBondContact CG2-O 3.5Å
55K85.2Confident87.9Confident150 Ų15071.1 Ų71.165%0.65238%0.376SS*.Hα-helixtrans-95.5-22.7176.4-73.2175.7180176.80113.4Q51 V53Q51-K55 WeakPolarHBondContact O-CB 3.38Å; Q51-K55 VanDerWaalsContact O-CG 3.27Å; Q51-K55 WeakPolarHBondContact O-CG 3.13Å; Q51-K55 PolarHBondContact O-N 2.91Å; V53-K55 PolarHBondContact O-N 3.33Å
56R88.8Confident88.5Confident132 Ų13275 Ų7550%0.49840%0.4SS..  trans-95.7132.5-172.4-69.4-178.8-177.6-161.21111.1N52 V53 N58N52-R56 WeakPolarHBondContact O-CG 3.37Å; V53-R56 PolarHBondContact O-N 3.27Å; R56-N58 PolarHBondContact O-N 3.24Å; R56-N58 VanDerWaalsContact O-N 3.1Å; R56-N58 PolarHBondContact O-OD1 3.44Å
57Q92.4Very high89Confident128 Ų12865.9 Ų65.960%0.59837%0.371SS*.  trans-8656.9173.1-66.3179.3-25.900111F42 I43F42-Q57 HydrophobicContact CB-CB 4.41Å; I43-Q57 CarbonylContact O-C 3.48Å; I43-Q57 WeakPolarHBondContact O-CA 3.45Å
58N93.1Very high89.8Confident12 Ų1265.9 Ų65.96%0.06437%0.371CS..  trans-90.6-11.6-178.665.8-29.3000113.2R56 V60 H74 S76 N82R56-N58 PolarHBondContact O-N 3.24Å; R56-N58 VanDerWaalsContact O-N 3.1Å; R56-N58 PolarHBondContact O-OD1 3.44Å; N58-V60 PolarHBondContact O-N 3.44Å; N58-H74 PolarHBondContact ND2-CD2 2.95Å; N58-H74 PolarHBondContact ND2-NE2 3.43Å; N58-H74 PolarHBondContact OD1-CD2 2.94Å; N58-H74 PolarHBondContact OD1-NE2 3.28Å; N58-S76 PolarHBondContact ND2-O 2.91Å; N58-N82 PolarHBondContact O-ND2 3.47Å
59C95.2Very high90.4Very high0 Ų060.9 Ų60.90%034%0.336CS..EExtended strand (participates in β ladder)trans-75124.4177.9-174.70000109.2F42 I43 K72 V73 H74F42-C59 WeakPolarHBondContact CA-O 3.28Å; I43-C59 HydrophobicContact CB-CB 4.37Å; I43-C59 PolarHBondContact N-O 2.97Å; I43-C59 WeakPolarHBondContact O-CA 3.42Å; I43-C59 WeakPolarHBondContact O-CB 3.46Å; I43-C59 PolarHBondContact O-N 3.32Å; C59-K72 WeakPolarHBondContact SG-CE 3.35Å; C59-V73 WeakPolarHBondContact CA-O 3.45Å; C59-H74 HydrophobicContact CB-CB 4.12Å
60V96.7Very high91.4Very high1 Ų165.2 Ų65.21%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-96.7127.7175.8-176.50000108.4F42 N58 L62 K72 V73 L79 N82 R83 A86F42-V60 HydrophobicContact CD1-CG2 4.19Å; F42-V60 HydrophobicContact CE1-CG1 4.48Å; F42-V60 HydrophobicContact CE1-CG2 4.13Å; N58-V60 PolarHBondContact O-N 3.44Å; V60-L62 HydrophobicContact CG1-CB 4.39Å; V60-K72 WeakPolarHBondContact O-CA 3.48Å; V60-V73 PolarHBondContact N-O 3.47Å; V60-V73 PolarHBondContact O-N 3.41Å; V60-L79 HydrophobicContact CG2-CD1 3.57Å; V60-N82 HydrophobicContact CG2-CB 3.76Å; V60-R83 HydrophobicContact CG2-CG 3.89Å; V60-A86 HydrophobicContact CB-CB 4.35Å; V60-A86 HydrophobicContact CG1-CB 3.96Å
61L97.1Very high92.1Very high31 Ų3163.5 Ų63.516%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-111112.4165.9-176.768.7000107.2Q41 I43 W70 K72Q41-L61 HydrophobicContact CB-CB 4.22Å; Q41-L61 PolarHBondContact N-O 2.89Å; Q41-L61 PolarHBondContact O-N 3.09Å; I43-L61 HydrophobicContact CD1-CB 3.89Å; I43-L61 HydrophobicContact CD1-CD2 3.77Å; I43-L61 HydrophobicContact CD1-CG 4.42Å; L61-W70 HydrophobicContact CD1-CE3 3.72Å; L61-W70 HydrophobicContact CD1-CZ3 4.26Å; L61-W70 HydrophobicContact CD2-CE3 3.75Å; L61-W70 HydrophobicContact CD2-CH2 4.34Å; L61-W70 HydrophobicContact CD2-CZ3 3.43Å; L61-W70 VanDerWaalsContact CD2-CZ3 3.43Å; L61-W70 HydrophobicContact CG-CE3 3.5Å; L61-W70 HydrophobicContact CG-CZ3 3.54Å; L61-K72 HydrophobicContact CD1-CB 4.1Å
62L97.1Very high92.7Very high1 Ų162.8 Ų62.81%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-113.5126.7-175.7-176.370.4000109.1L38 E40 V60 W70 V71 A86 R87 L90L38-L62 HydrophobicContact CB-CD1 4.11Å; L38-L62 HydrophobicContact CD1-CD1 4.46Å; L38-L62 HydrophobicContact CD2-CD1 4.35Å; E40-L62 HydrophobicContact CG-CD1 3.42Å; E40-L62 VanDerWaalsContact CG-CD1 3.42Å; V60-L62 HydrophobicContact CG1-CB 4.39Å; L62-W70 CarbonylContact O-C 3.6Å; L62-W70 WeakPolarHBondContact O-CA 3.41Å; L62-V71 PolarHBondContact N-O 3.44Å; L62-V71 PolarHBondContact O-N 3Å; L62-A86 HydrophobicContact CB-CB 4.2Å; L62-A86 HydrophobicContact CD2-CB 4Å; L62-R87 HydrophobicContact CD2-CG 4.09Å; L62-L90 HydrophobicContact CD2-CB 4.05Å; L62-L90 HydrophobicContact CD2-CD2 3.59Å; L62-L90 HydrophobicContact CD2-CG 4.42Å; L62-L90 HydrophobicContact CG-CD2 3.9Å
63K96.8Very high93.5Very high50 Ų5057.3 Ų57.322%0.21729%0.287CS..EExtended strand (participates in β ladder)trans-113.9133176.3-170.1-164.4-173.6-178.40110.4L38 M39 L69 W70L38-K63 WeakPolarHBondContact CA-O 3.35Å; M39-K63 HydrophobicContact CB-CB 4.18Å; M39-K63 PolarHBondContact N-O 3.49Å; M39-K63 PolarHBondContact O-N 2.98Å; M39-K63 HydrophobicContact SD-CD 4.1Å; K63-L69 CarbonylContact C-O 3.57Å; K63-L69 VanDerWaalsContact CA-O 3.28Å; K63-L69 WeakPolarHBondContact CA-O 3.41Å; K63-W70 HydrophobicContact CB-CD2 3.83Å; K63-W70 HydrophobicContact CB-CE3 3.63Å; K63-W70 HydrophobicContact CB-CH2 3.95Å; K63-W70 HydrophobicContact CB-CZ2 4.11Å; K63-W70 HydrophobicContact CB-CZ3 3.68Å; K63-W70 HydrophobicContact CD-CD2 4.35Å; K63-W70 HydrophobicContact CD-CH2 3.86Å; K63-W70 HydrophobicContact CD-CZ2 3.41Å; K63-W70 VanDerWaalsContact CD-CZ2 3.41Å; K63-W70 HydrophobicContact CD-CZ3 4.45Å; K63-W70 HydrophobicContact CG-CD2 3.78Å; K63-W70 HydrophobicContact CG-CE3 4.11Å; K63-W70 HydrophobicContact CG-CG 4.32Å; K63-W70 HydrophobicContact CG-CH2 4.16Å; K63-W70 HydrophobicContact CG-CZ2 3.8Å; K63-W70 HydrophobicContact CG-CZ3 4.28Å
64H96.6Very high93.9Very high13 Ų1358.5 Ų58.56%0.0629%0.289CS..EExtended strand (participates in β ladder)trans-86.5111.6160.9-164.3-123.4000108.8E37 P66 T67 G68 L69 L90E37-H64 IonicContact OE2-CE1 2.79Å; E37-H64 IonicContact OE2-NE2 3.38Å; E37-H64 PolarHBondContact OE2-NE2 3.15Å; H64-P66 WeakPolarHBondContact CE1-CG 3.47Å; H64-T67 PolarHBondContact CE1-OG1 3.06Å; H64-T67 WeakPolarHBondContact ND1-CB 3.36Å; H64-T67 PolarHBondContact ND1-OG1 3.32Å; H64-G68 WeakPolarHBondContact O-CA 3.35Å; H64-G68 PolarHBondContact O-N 3.47Å; H64-L69 PolarHBondContact N-O 2.93Å; H64-L90 HydrophobicContact CB-CD1 4.22Å; H64-L90 HydrophobicContact CB-CD2 4.12Å
65V94.8Very high94.5Very high68 Ų6859.4 Ų59.441%0.41229%0.29SS..THydrogen-bonded Turntrans-58-52-173.8178.30000113.1E37 M39 T67 G68E37-V65 WeakPolarHBondContact O-CG2 3.5Å; E37-V65 PolarHBondContact O-N 3.02Å; M39-V65 HydrophobicContact CG-CG2 3.48Å; M39-V65 VanDerWaalsContact CG-CG2 3.48Å; M39-V65 HydrophobicContact SD-CG2 3.64Å; V65-T67 VanDerWaalsContact C-N 3.33Å; V65-T67 PolarHBondContact O-N 3.15Å; V65-G68 PolarHBondContact O-N 3.44Å
66P94.9Very high94.8Very high85 Ų8554.2 Ų54.255%0.55227%0.273SS*.THydrogen-bonded Turntrans-71.3-29.4-172.127.9-35.6000112.7E37 H64E37-P66 HydrophobicContact CB-CG 4.42Å; E37-P66 WeakPolarHBondContact OE2-CG 3.34Å; H64-P66 WeakPolarHBondContact CE1-CG 3.47Å
67T94.5Very high94.8Very high48 Ų4857.5 Ų57.529%0.29429%0.285SS..THydrogen-bonded Turntrans-91.2-21178.6-44.50000113.1H64 V65 L69 L94 M97H64-T67 PolarHBondContact CE1-OG1 3.06Å; H64-T67 WeakPolarHBondContact ND1-CB 3.36Å; H64-T67 PolarHBondContact ND1-OG1 3.32Å; V65-T67 VanDerWaalsContact C-N 3.33Å; V65-T67 PolarHBondContact O-N 3.15Å; T67-L69 HydrophobicContact CG2-CD1 3.78Å; T67-L69 HydrophobicContact CG2-CG 3.64Å; T67-L69 PolarHBondContact O-N 3.42Å; T67-L94 HydrophobicContact CG2-CD2 4.04Å; T67-L94 WeakPolarHBondContact OG1-CD2 3.34Å; T67-M97 HydrophobicContact CG2-CE 3.24Å; T67-M97 HydrophobicContact CG2-SD 3.15Å; T67-M97 WeakPolarHBondContact CG2-SD 3.4Å
68G94.6Very high94.9Very high38 Ų3854.6 Ų54.639%0.39228%0.276SS..THydrogen-bonded Turntrans70.414.3-173.200000114.4H64 V65 W70H64-G68 WeakPolarHBondContact O-CA 3.35Å; H64-G68 PolarHBondContact O-N 3.47Å; V65-G68 PolarHBondContact O-N 3.44Å; G68-W70 VanDerWaalsContact O-CD1 3.26Å
69L95.6Very high94.9Very high48 Ų4857 Ų5725%0.25129%0.288SS..EExtended strand (participates in β ladder)trans-75.3134.8177.4-70.3176.2000110.8K63 H64 T67 L90 R93 L94K63-L69 CarbonylContact C-O 3.57Å; K63-L69 VanDerWaalsContact CA-O 3.28Å; K63-L69 WeakPolarHBondContact CA-O 3.41Å; H64-L69 PolarHBondContact N-O 2.93Å; T67-L69 HydrophobicContact CG2-CD1 3.78Å; T67-L69 HydrophobicContact CG2-CG 3.64Å; T67-L69 PolarHBondContact O-N 3.42Å; L69-L90 HydrophobicContact CB-CD1 4.09Å; L69-R93 HydrophobicContact CD1-CB 4.31Å; L69-L94 HydrophobicContact CD1-CD2 3.59Å; L69-L94 HydrophobicContact CD1-CG 3.92Å
70W96.2Very high95Very high125 Ų12561.6 Ų61.647%0.47331%0.31SS..EExtended strand (participates in β ladder)trans-115.1137.9175.9-69.989.5000111.1L61 L62 K63 G68L61-W70 HydrophobicContact CD1-CE3 3.72Å; L61-W70 HydrophobicContact CD1-CZ3 4.26Å; L61-W70 HydrophobicContact CD2-CE3 3.75Å; L61-W70 HydrophobicContact CD2-CH2 4.34Å; L61-W70 HydrophobicContact CD2-CZ3 3.43Å; L61-W70 VanDerWaalsContact CD2-CZ3 3.43Å; L61-W70 HydrophobicContact CG-CE3 3.5Å; L61-W70 HydrophobicContact CG-CZ3 3.54Å; L62-W70 CarbonylContact O-C 3.6Å; L62-W70 WeakPolarHBondContact O-CA 3.41Å; K63-W70 HydrophobicContact CB-CD2 3.83Å; K63-W70 HydrophobicContact CB-CE3 3.63Å; K63-W70 HydrophobicContact CB-CH2 3.95Å; K63-W70 HydrophobicContact CB-CZ2 4.11Å; K63-W70 HydrophobicContact CB-CZ3 3.68Å; K63-W70 HydrophobicContact CD-CD2 4.35Å; K63-W70 HydrophobicContact CD-CH2 3.86Å; K63-W70 HydrophobicContact CD-CZ2 3.41Å; K63-W70 VanDerWaalsContact CD-CZ2 3.41Å; K63-W70 HydrophobicContact CD-CZ3 4.45Å; K63-W70 HydrophobicContact CG-CD2 3.78Å; K63-W70 HydrophobicContact CG-CE3 4.11Å; K63-W70 HydrophobicContact CG-CG 4.32Å; K63-W70 HydrophobicContact CG-CH2 4.16Å; K63-W70 HydrophobicContact CG-CZ2 3.8Å; K63-W70 HydrophobicContact CG-CZ3 4.28Å; G68-W70 VanDerWaalsContact O-CD1 3.26Å
71V97Very high95Very high13 Ų1365.7 Ų65.78%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-129.1125.6173.4175.90000109.1L62 V73 R89 L90 R93L62-V71 PolarHBondContact N-O 3.44Å; L62-V71 PolarHBondContact O-N 3Å; V71-V73 HydrophobicContact CG1-CG2 3.82Å; V71-R89 HydrophobicContact CG1-CB 3.78Å; V71-L90 HydrophobicContact CB-CD1 4.47Å; V71-L90 HydrophobicContact CG2-CB 4.07Å; V71-L90 HydrophobicContact CG2-CD1 3.65Å; V71-R93 HydrophobicContact CG2-CG 4.46Å
72K96.1Very high95Very high126 Ų12664.2 Ų64.255%0.54832%0.324SS..EExtended strand (participates in β ladder)trans-105.3128.5172.9-174.1178.9179.6176.80109.7C59 V60 L61C59-K72 WeakPolarHBondContact SG-CE 3.35Å; V60-K72 WeakPolarHBondContact O-CA 3.48Å; L61-K72 HydrophobicContact CD1-CB 4.1Å
73V95.8Very high94.9Very high1 Ų167.4 Ų67.41%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-131126.4177.4-175.60000110.9C59 V60 V71 E75 N82 T85 A86C59-V73 WeakPolarHBondContact CA-O 3.45Å; V60-V73 PolarHBondContact N-O 3.47Å; V60-V73 PolarHBondContact O-N 3.41Å; V71-V73 HydrophobicContact CG1-CG2 3.82Å; V73-E75 HydrophobicContact CG1-CG 4.05Å; V73-N82 HydrophobicContact CG1-CB 4.23Å; V73-T85 HydrophobicContact CG1-CG2 3.91Å; V73-A86 HydrophobicContact CB-CB 4.29Å; V73-A86 HydrophobicContact CG2-CB 3.76Å
74H92.7Very high94.9Very high72 Ų7268 Ų6833%0.33334%0.344SS..  trans-146.776.6173.5-177.3-94.3000108.9N58 C59N58-H74 PolarHBondContact ND2-CD2 2.95Å; N58-H74 PolarHBondContact ND2-NE2 3.43Å; N58-H74 PolarHBondContact OD1-CD2 2.94Å; N58-H74 PolarHBondContact OD1-NE2 3.28Å; C59-H74 HydrophobicContact CB-CB 4.12Å
75E92.1Very high94.9Very high106 Ų10668.8 Ų68.850%0.49535%0.349SS..  trans-108-49.5-178.6-65.3178.5174.800111.3V73 N82 R89V73-E75 HydrophobicContact CG1-CG 4.05Å; E75-N82 PolarHBondContact N-OD1 2.97Å; E75-R89 IonicContact OE1-CZ 2.71Å; E75-R89 IonicContact OE1-NE 2.56Å; E75-R89 IonicContact OE1-NH1 3.16Å; E75-R89 IonicContact OE1-NH2 3.62Å; E75-R89 PolarHBondContact OE1-NH2 3.26Å
76S92.5Very high95Very high40 Ų4065.5 Ų65.528%0.2833%0.33SS..  trans-103154.4-175.1-680000112.1N58 V78 N82N58-S76 PolarHBondContact ND2-O 2.91Å; S76-V78 PolarHBondContact O-N 3.35Å; S76-N82 WeakPolarHBondContact CB-OD1 3.45Å; S76-N82 PolarHBondContact N-OD1 3.02Å; S76-N82 PolarHBondContact O-ND2 3.41Å
77R89.4Confident95.1Very high202 Ų20264.5 Ų64.576%0.76232%0.315SS*.SBendtrans-67.7-17.9168.571.2-178.6-178.4179.7-0.4113.5
78V93.2Very high95.1Very high67 Ų6765.9 Ų65.941%0.40632%0.318SS..SBendtrans-98.1126.3-178.3179.60000109.4S76 Q80 N82S76-V78 PolarHBondContact O-N 3.35Å; V78-Q80 HydrophobicContact CG1-CB 4.34Å; V78-N82 PolarHBondContact O-N 2.89Å
79L94.3Very high95.1Very high61 Ų6168.9 Ų68.932%0.31932%0.318SS..Hα-helixtrans-63.9-43-176.8178.863.1000112.7F42 V60 N81 N82 R83F42-L79 HydrophobicContact CD1-CD1 3.53Å; F42-L79 HydrophobicContact CD1-CD2 4.12Å; F42-L79 HydrophobicContact CD1-CG 4.37Å; F42-L79 HydrophobicContact CE1-CD1 3.73Å; F42-L79 HydrophobicContact CE1-CD2 4.03Å; F42-L79 HydrophobicContact CE1-CG 4.23Å; F42-L79 HydrophobicContact CG-CD1 4.46Å; F42-L79 HydrophobicContact CZ-CD2 4.36Å; V60-L79 HydrophobicContact CG2-CD1 3.57Å; L79-N81 VanDerWaalsContact C-N 3.31Å; L79-N81 PolarHBondContact O-N 3.49Å; L79-N82 WeakPolarHBondContact O-CA 3.39Å; L79-N82 WeakPolarHBondContact O-CB 3.46Å; L79-N82 PolarHBondContact O-N 3.17Å; L79-R83 HydrophobicContact CG-CG 4.44Å; L79-R83 PolarHBondContact O-N 3.01Å
80Q96.4Very high95.2Very high98 Ų9866.6 Ų66.646%0.45831%0.306SS..Hα-helixtrans-60.6-40.3-176.4-172.363.37.300112.4V78 N82 R83 V84V78-Q80 HydrophobicContact CG1-CB 4.34Å; Q80-N82 VanDerWaalsContact C-N 3.32Å; Q80-N82 PolarHBondContact O-N 3.41Å; Q80-R83 PolarHBondContact O-N 3.32Å; Q80-V84 WeakPolarHBondContact O-CG2 3.2Å; Q80-V84 PolarHBondContact O-N 3.25Å; Q80-V84 VanDerWaalsContact O-N 3.08Å
81N97Very high95.1Very high87 Ų8761.9 Ų61.947%0.46529%0.291SS..Hα-helixtrans-62-42.6175-67.36.5000110.9L79 R83 V84 T85L79-N81 VanDerWaalsContact C-N 3.31Å; L79-N81 PolarHBondContact O-N 3.49Å; N81-R83 VanDerWaalsContact C-N 3.33Å; N81-R83 PolarHBondContact O-N 2.84Å; N81-V84 PolarHBondContact O-N 3.4Å; N81-T85 PolarHBondContact O-N 2.94Å; N81-T85 PolarHBondContact O-OG1 3.45Å
82N96.5Very high95Very high0 Ų063 Ų630%030%0.295CS..Hα-helixtrans-64.9-35.4177-66.2-20.4000112N58 V60 V73 E75 S76 V78 L79 Q80 T85 A86N58-N82 PolarHBondContact O-ND2 3.47Å; V60-N82 HydrophobicContact CG2-CB 3.76Å; V73-N82 HydrophobicContact CG1-CB 4.23Å; E75-N82 PolarHBondContact N-OD1 2.97Å; S76-N82 WeakPolarHBondContact CB-OD1 3.45Å; S76-N82 PolarHBondContact N-OD1 3.02Å; S76-N82 PolarHBondContact O-ND2 3.41Å; V78-N82 PolarHBondContact O-N 2.89Å; L79-N82 WeakPolarHBondContact O-CA 3.39Å; L79-N82 WeakPolarHBondContact O-CB 3.46Å; L79-N82 PolarHBondContact O-N 3.17Å; Q80-N82 VanDerWaalsContact C-N 3.32Å; Q80-N82 PolarHBondContact O-N 3.41Å; N82-T85 PolarHBondContact O-N 3.27Å; N82-A86 VanDerWaalsContact O-CB 3.24Å; N82-A86 WeakPolarHBondContact O-CB 3.33Å; N82-A86 PolarHBondContact O-N 3.31Å
83R96.6Very high94.9Very high68 Ų6864.7 Ų64.726%0.25730%0.298SS..Hα-helixtrans-63.2-46.3174.7-68.4179.476.7-161.66.7111.6E40 F42 V60 L79 Q80 N81 A86 R87E40-R83 IonicContact OE1-NE 3.19Å; E40-R83 IonicContact OE1-NH2 3.81Å; E40-R83 PolarHBondContact OE1-NH2 2.63Å; E40-R83 IonicContact OE2-CZ 3.67Å; E40-R83 IonicContact OE2-NE 3.73Å; E40-R83 PolarHBondContact OE2-NE 2.73Å; E40-R83 IonicContact OE2-NH2 2.86Å; E40-R83 PolarHBondContact OE2-NH2 3Å; F42-R83 HydrophobicContact CE1-CG 4.26Å; V60-R83 HydrophobicContact CG2-CG 3.89Å; L79-R83 HydrophobicContact CG-CG 4.44Å; L79-R83 PolarHBondContact O-N 3.01Å; Q80-R83 PolarHBondContact O-N 3.32Å; N81-R83 VanDerWaalsContact C-N 3.33Å; N81-R83 PolarHBondContact O-N 2.84Å; R83-A86 PolarHBondContact O-N 2.93Å; R83-R87 WeakPolarHBondContact O-CG 3.31Å; R83-R87 PolarHBondContact O-N 3.13Å
84V96.5Very high94.9Very high62 Ų6265 Ų6538%0.37630%0.299SS..Hα-helixtrans-60.9-47.9177174.80000110.7Q80 N81 A86 R87 Q88Q80-V84 WeakPolarHBondContact O-CG2 3.2Å; Q80-V84 PolarHBondContact O-N 3.25Å; Q80-V84 VanDerWaalsContact O-N 3.08Å; N81-V84 PolarHBondContact O-N 3.4Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 3.4Å; V84-R87 PolarHBondContact O-N 3.25Å; V84-Q88 WeakPolarHBondContact O-CG 3.49Å; V84-Q88 PolarHBondContact O-N 2.91Å; V84-Q88 VanDerWaalsContact O-N 3.09Å
85T97Very high95Very high29 Ų2961.5 Ų61.518%0.17828%0.283CS..Hα-helixtrans-62.8-38.5176.9-58.90000112.1V73 N81 N82 R87 Q88 R89V73-T85 HydrophobicContact CG1-CG2 3.91Å; N81-T85 PolarHBondContact O-N 2.94Å; N81-T85 PolarHBondContact O-OG1 3.45Å; N82-T85 PolarHBondContact O-N 3.27Å; T85-R87 PolarHBondContact O-N 3.07Å; T85-Q88 PolarHBondContact O-N 3.25Å; T85-R89 HydrophobicContact CG2-CG 4.3Å; T85-R89 WeakPolarHBondContact O-CB 3.34Å; T85-R89 WeakPolarHBondContact O-CG 3.46Å; T85-R89 PolarHBondContact O-N 2.93Å
86A97.1Very high95.1Very high0 Ų058.8 Ų58.80%027%0.272CS..Hα-helixtrans-61-44177.400000111.8V60 L62 V73 N82 R83 V84 R89 L90V60-A86 HydrophobicContact CB-CB 4.35Å; V60-A86 HydrophobicContact CG1-CB 3.96Å; L62-A86 HydrophobicContact CB-CB 4.2Å; L62-A86 HydrophobicContact CD2-CB 4Å; V73-A86 HydrophobicContact CB-CB 4.29Å; V73-A86 HydrophobicContact CG2-CB 3.76Å; N82-A86 VanDerWaalsContact O-CB 3.24Å; N82-A86 WeakPolarHBondContact O-CB 3.33Å; N82-A86 PolarHBondContact O-N 3.31Å; R83-A86 PolarHBondContact O-N 2.93Å; V84-A86 VanDerWaalsContact C-N 3.32Å; V84-A86 PolarHBondContact O-N 3.4Å; A86-R89 PolarHBondContact O-N 2.88Å; A86-L90 WeakPolarHBondContact O-CB 3.36Å; A86-L90 PolarHBondContact O-N 2.93Å
87R95.8Very high95.1Very high63 Ų6361.1 Ų61.124%0.23828%0.28CS..Hα-helixtrans-63-46.7175.9-68.2179.2-167.5129.35111.9E40 L62 R83 V84 T85 R89 L90 T91E40-R87 IonicContact OE1-CZ 3.98Å; E40-R87 IonicContact OE1-NE 3.55Å; E40-R87 IonicContact OE1-NH2 2.75Å; E40-R87 PolarHBondContact OE1-NH2 3.49Å; L62-R87 HydrophobicContact CD2-CG 4.09Å; R83-R87 WeakPolarHBondContact O-CG 3.31Å; R83-R87 PolarHBondContact O-N 3.13Å; V84-R87 PolarHBondContact O-N 3.25Å; T85-R87 PolarHBondContact O-N 3.07Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-R89 PolarHBondContact O-N 3.38Å; R87-L90 PolarHBondContact O-N 3.39Å; R87-L90 VanDerWaalsContact O-N 3.17Å; R87-T91 PolarHBondContact O-N 2.98Å; R87-T91 PolarHBondContact O-OG1 3.07Å
88Q94.5Very high95.3Very high78 Ų7856.4 Ų56.436%0.36427%0.268SS..Hα-helixtrans-59.5-42.3177.2-70.4-17716.800112.8V84 T85 T91 E92V84-Q88 WeakPolarHBondContact O-CG 3.49Å; V84-Q88 PolarHBondContact O-N 2.91Å; V84-Q88 VanDerWaalsContact O-N 3.09Å; T85-Q88 PolarHBondContact O-N 3.25Å; Q88-T91 WeakPolarHBondContact CA-OG1 3.43Å; Q88-T91 PolarHBondContact O-OG1 3Å; Q88-E92 VanDerWaalsContact O-CG 3.31Å; Q88-E92 WeakPolarHBondContact O-CG 3.06Å; Q88-E92 PolarHBondContact O-N 3.07Å; Q88-E92 VanDerWaalsContact O-N 3.14Å
89R95.8Very high95.2Very high101 Ų10156.2 Ų56.238%0.38127%0.265SS..Hα-helixtrans-69-36177.3-75175.8173.6-150.7-7.6111.8V71 E75 T85 A86 R87 E92 R93V71-R89 HydrophobicContact CG1-CB 3.78Å; E75-R89 IonicContact OE1-CZ 2.71Å; E75-R89 IonicContact OE1-NE 2.56Å; E75-R89 IonicContact OE1-NH1 3.16Å; E75-R89 IonicContact OE1-NH2 3.62Å; E75-R89 PolarHBondContact OE1-NH2 3.26Å; T85-R89 HydrophobicContact CG2-CG 4.3Å; T85-R89 WeakPolarHBondContact O-CB 3.34Å; T85-R89 WeakPolarHBondContact O-CG 3.46Å; T85-R89 PolarHBondContact O-N 2.93Å; A86-R89 PolarHBondContact O-N 2.88Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-R89 PolarHBondContact O-N 3.38Å; R89-E92 PolarHBondContact O-N 3.39Å; R89-R93 VanDerWaalsContact O-CG 3.26Å; R89-R93 WeakPolarHBondContact O-CG 3.43Å; R89-R93 PolarHBondContact O-N 2.93Å
90L96Very high95Very high0 Ų062.8 Ų62.80%029%0.286CS..Hα-helixtrans-68-43177.1-171.671.3000111.5L33 L38 L62 H64 L69 V71 A86 R87 E92 R93 L94L33-L90 HydrophobicContact CD1-CB 4.37Å; L33-L90 HydrophobicContact CD1-CD2 4.02Å; L33-L90 HydrophobicContact CD1-CG 4.34Å; L33-L90 HydrophobicContact CD2-CD2 4.34Å; L38-L90 HydrophobicContact CD2-CD2 3.36Å; L62-L90 HydrophobicContact CD2-CB 4.05Å; L62-L90 HydrophobicContact CD2-CD2 3.59Å; L62-L90 HydrophobicContact CD2-CG 4.42Å; L62-L90 HydrophobicContact CG-CD2 3.9Å; H64-L90 HydrophobicContact CB-CD1 4.22Å; H64-L90 HydrophobicContact CB-CD2 4.12Å; L69-L90 HydrophobicContact CB-CD1 4.09Å; V71-L90 HydrophobicContact CB-CD1 4.47Å; V71-L90 HydrophobicContact CG2-CB 4.07Å; V71-L90 HydrophobicContact CG2-CD1 3.65Å; A86-L90 WeakPolarHBondContact O-CB 3.36Å; A86-L90 PolarHBondContact O-N 2.93Å; R87-L90 PolarHBondContact O-N 3.39Å; R87-L90 VanDerWaalsContact O-N 3.17Å; L90-E92 VanDerWaalsContact C-N 3.3Å; L90-E92 PolarHBondContact O-N 3.45Å; L90-R93 PolarHBondContact O-N 3.5Å; L90-L94 HydrophobicContact CG-CD1 4.29Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 2.99Å
91T94.9Very high94.7Very high26 Ų2666.1 Ų66.116%0.1630%0.301CS..Hα-helixtrans-58.8-42.6174.248.40000111.7L33 R87 Q88 L94 D95L33-T91 HydrophobicContact CD1-CG2 3.33Å; L33-T91 HydrophobicContact CG-CG2 3.77Å; R87-T91 PolarHBondContact O-N 2.98Å; R87-T91 PolarHBondContact O-OG1 3.07Å; Q88-T91 WeakPolarHBondContact CA-OG1 3.43Å; Q88-T91 PolarHBondContact O-OG1 3Å; T91-L94 PolarHBondContact O-N 2.9Å; T91-D95 WeakPolarHBondContact O-CB 3.22Å; T91-D95 PolarHBondContact O-N 3.31Å
92E94.1Very high94.2Very high35 Ų3567.5 Ų67.516%0.16431%0.309CS..Hα-helixtrans-64.4-41.1177.3-76.3171.5-169.400111.8R25 F30 Q88 R89 L90 D95 D96R25-E92 IonicContact CZ-OE1 2.63Å; R25-E92 IonicContact NE-OE1 3.45Å; R25-E92 IonicContact NH2-OE1 3.07Å; R25-E92 PolarHBondContact NH2-OE1 3.43Å; F30-E92 HydrophobicContact CE1-CG 3.94Å; F30-E92 HydrophobicContact CZ-CG 4.42Å; Q88-E92 VanDerWaalsContact O-CG 3.31Å; Q88-E92 WeakPolarHBondContact O-CG 3.06Å; Q88-E92 PolarHBondContact O-N 3.07Å; Q88-E92 VanDerWaalsContact O-N 3.14Å; R89-E92 PolarHBondContact O-N 3.39Å; L90-E92 VanDerWaalsContact C-N 3.3Å; L90-E92 PolarHBondContact O-N 3.45Å; E92-D95 PolarHBondContact O-N 2.89Å; E92-D96 VanDerWaalsContact O-CG 3.26Å; E92-D96 PolarHBondContact O-N 3.1Å
93R95.1Very high93.9Very high162 Ų16267.5 Ų67.561%0.61131%0.309SS*.Hα-helixtrans-68-36.7176.9-72.5-69-175.41380.6113L69 V71 R89 L90 D96 M97L69-R93 HydrophobicContact CD1-CB 4.31Å; V71-R93 HydrophobicContact CG2-CG 4.46Å; R89-R93 VanDerWaalsContact O-CG 3.26Å; R89-R93 WeakPolarHBondContact O-CG 3.43Å; R89-R93 PolarHBondContact O-N 2.93Å; L90-R93 PolarHBondContact O-N 3.5Å; R93-D96 PolarHBondContact O-N 2.71Å; R93-M97 PolarHBondContact O-N 3.22Å; R93-M97 VanDerWaalsContact O-N 3.17Å
94L94.7Very high93.7Very high7 Ų764.9 Ų64.94%0.03730%0.3CS..Hα-helixtrans-66-43.6173.8-77.9167.9000111.2P31 L33 T67 L69 L90 T91 D96 M97 I98P31-L94 HydrophobicContact CG-CB 4.1Å; L33-L94 HydrophobicContact CD2-CD1 3.19Å; L33-L94 HydrophobicContact CG-CD1 4.09Å; T67-L94 HydrophobicContact CG2-CD2 4.04Å; T67-L94 WeakPolarHBondContact OG1-CD2 3.34Å; L69-L94 HydrophobicContact CD1-CD2 3.59Å; L69-L94 HydrophobicContact CD1-CG 3.92Å; L90-L94 HydrophobicContact CG-CD1 4.29Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 2.99Å; T91-L94 PolarHBondContact O-N 2.9Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 3.33Å; L94-M97 HydrophobicContact CD2-CE 4.21Å; L94-M97 PolarHBondContact O-N 3.49Å; L94-M97 VanDerWaalsContact O-N 3.15Å; L94-I98 WeakPolarHBondContact O-CG1 3.49Å; L94-I98 PolarHBondContact O-N 2.94Å
95D95Very high93.5Very high0 Ų064 Ų640%029%0.293CS..Hα-helixtrans-58.5-44.6174.4-174.862.8000111.7Y28 F30 P31 T91 E92 M97 I98 N99 S103 F104Y28-D95 WeakPolarHBondContact CE1-OD1 3.46Å; Y28-D95 VanDerWaalsContact OH-CG 3.24Å; Y28-D95 PolarHBondContact OH-OD1 3.24Å; Y28-D95 PolarHBondContact OH-OD2 3.05Å; F30-D95 HydrophobicContact CD1-CB 4.12Å; P31-D95 HydrophobicContact CG-CB 4.22Å; T91-D95 WeakPolarHBondContact O-CB 3.22Å; T91-D95 PolarHBondContact O-N 3.31Å; E92-D95 PolarHBondContact O-N 2.89Å; D95-M97 VanDerWaalsContact C-N 3.26Å; D95-M97 PolarHBondContact O-N 2.9Å; D95-I98 PolarHBondContact O-N 3.1Å; D95-N99 WeakPolarHBondContact O-CB 3.4Å; D95-N99 PolarHBondContact O-N 3.04Å; D95-N99 PolarHBondContact OD1-ND2 2.83Å; D95-S103 WeakPolarHBondContact OD2-CA 3.43Å; D95-S103 WeakPolarHBondContact OD2-CB 3.48Å; D95-F104 PolarHBondContact OD2-N 3.42Å
96D94Very high93.3Very high49 Ų4963.9 Ų63.926%0.26230%0.295SS..Hα-helixtrans-59.8-36.6175.9-72.8-27.3000112.8E92 R93 L94 R100 S103 N105E92-D96 VanDerWaalsContact O-CG 3.26Å; E92-D96 PolarHBondContact O-N 3.1Å; R93-D96 PolarHBondContact O-N 2.71Å; L94-D96 VanDerWaalsContact C-N 3.33Å; L94-D96 PolarHBondContact O-N 3.33Å; D96-R100 VanDerWaalsContact O-CA 3.29Å; D96-R100 WeakPolarHBondContact O-CA 3.45Å; D96-R100 PolarHBondContact O-N 2.86Å; D96-R100 VanDerWaalsContact O-N 3.13Å; D96-S103 VanDerWaalsContact OD1-CB 3.23Å; D96-S103 WeakPolarHBondContact OD1-CB 3.03Å; D96-S103 PolarHBondContact OD1-OG 2.95Å; D96-N105 WeakPolarHBondContact OD1-CB 3.36Å; D96-N105 PolarHBondContact OD2-ND2 2.96Å
97M93Very high93Very high89 Ų8965.9 Ų65.944%0.43830%0.304SS..Hα-helixtrans-72.9-42.7178.7-173.5-167.363.700112.3T67 R93 L94 D95T67-M97 HydrophobicContact CG2-CE 3.24Å; T67-M97 HydrophobicContact CG2-SD 3.15Å; T67-M97 WeakPolarHBondContact CG2-SD 3.4Å; R93-M97 PolarHBondContact O-N 3.22Å; R93-M97 VanDerWaalsContact O-N 3.17Å; L94-M97 HydrophobicContact CD2-CE 4.21Å; L94-M97 PolarHBondContact O-N 3.49Å; L94-M97 VanDerWaalsContact O-N 3.15Å; D95-M97 VanDerWaalsContact C-N 3.26Å; D95-M97 PolarHBondContact O-N 2.9Å
98I92.9Very high92.8Very high102 Ų10269.2 Ų69.252%0.52332%0.317SS..Hα-helixtrans-75.1-51.4-176.8-64.1166.7000110.6P31 L94 D95P31-I98 HydrophobicContact CB-CD1 4.13Å; P31-I98 HydrophobicContact CG-CD1 4.34Å; L94-I98 WeakPolarHBondContact O-CG1 3.49Å; L94-I98 PolarHBondContact O-N 2.94Å; D95-I98 PolarHBondContact O-N 3.1Å
99N91.6Very high92.7Very high64 Ų6473.3 Ų73.334%0.34233%0.333SS..Hα-helixtrans-95.1-14.4-169.8-70-39.7000114.3Y28 D95 E101 N102Y28-N99 PolarHBondContact OH-ND2 3.37Å; D95-N99 WeakPolarHBondContact O-CB 3.4Å; D95-N99 PolarHBondContact O-N 3.04Å; D95-N99 PolarHBondContact OD1-ND2 2.83Å; N99-E101 PolarHBondContact O-N 3Å; N99-N102 HydrophobicContact CB-CB 4.45Å; N99-N102 PolarHBondContact O-N 2.73Å
100R91.1Very high92.5Very high198 Ų19873.3 Ų73.375%0.74734%0.337SS*.G310 helixtrans50.5-103.7177.2-57.4-179-176.4-179.11.1113.2D96 N102 S103 A106D96-R100 VanDerWaalsContact O-CA 3.29Å; D96-R100 WeakPolarHBondContact O-CA 3.45Å; D96-R100 PolarHBondContact O-N 2.86Å; D96-R100 VanDerWaalsContact O-N 3.13Å; R100-N102 VanDerWaalsContact C-N 3.31Å; R100-S103 WeakPolarHBondContact O-CB 3.36Å; R100-S103 PolarHBondContact O-N 3.36Å; R100-S103 PolarHBondContact O-OG 3.2Å; R100-A106 WeakPolarHBondContact O-CB 3.46Å
101E88.7Confident92.2Very high168 Ų16875.1 Ų75.179%0.78535%0.346SS*.G310 helixtrans-72.5-26.8-178.3-61.7-174.5163.600112.8N99 S103 A106N99-E101 PolarHBondContact O-N 3Å; E101-S103 VanDerWaalsContact C-N 3.31Å; E101-A106 VanDerWaalsContact O-CB 3.24Å; E101-A106 WeakPolarHBondContact O-CB 3.37Å
102N86.9Confident92.1Very high116 Ų11678 Ų7862%0.6236%0.36SS*.G310 helixtrans-89.21.5179.2-64.8-32.6000112.7N99 R100 Q107N99-N102 HydrophobicContact CB-CB 4.45Å; N99-N102 PolarHBondContact O-N 2.73Å; R100-N102 VanDerWaalsContact C-N 3.31Å; N102-Q107 PolarHBondContact O-NE2 2.71Å
103S91.7Very high92.1Very high1 Ų185.1 Ų85.11%0.00739%0.385CS..SBendtrans-63.9157.3-179.982.30000111.7D95 D96 R100 E101 N105 A106 Q107D95-S103 WeakPolarHBondContact OD2-CA 3.43Å; D95-S103 WeakPolarHBondContact OD2-CB 3.48Å; D96-S103 VanDerWaalsContact OD1-CB 3.23Å; D96-S103 WeakPolarHBondContact OD1-CB 3.03Å; D96-S103 PolarHBondContact OD1-OG 2.95Å; R100-S103 WeakPolarHBondContact O-CB 3.36Å; R100-S103 PolarHBondContact O-N 3.36Å; R100-S103 PolarHBondContact O-OG 3.2Å; E101-S103 VanDerWaalsContact C-N 3.31Å; S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 3.08Å; S103-A106 PolarHBondContact O-N 3.45Å; S103-A106 VanDerWaalsContact OG-CB 3.29Å; S103-A106 WeakPolarHBondContact OG-CB 3.28Å; S103-A106 PolarHBondContact OG-N 3.16Å; S103-A106 VanDerWaalsContact OG-N 3.08Å; S103-Q107 WeakPolarHBondContact O-CG 3.44Å; S103-Q107 PolarHBondContact O-N 2.86Å
104F91.8Very high91.9Very high13 Ų1381.3 Ų81.36%0.05737%0.374CS..Hα-helixtrans-57.2-43.1177.5-180-101.3000111.8R25 Y28 F30 D95 R108R25-F104 HydrophobicContact CB-CE1 4.25Å; R25-F104 HydrophobicContact CB-CE2 4.09Å; R25-F104 HydrophobicContact CB-CZ 3.57Å; R25-F104 HydrophobicContact CG-CE1 4.06Å; R25-F104 HydrophobicContact CG-CE2 4.49Å; R25-F104 HydrophobicContact CG-CZ 3.87Å; Y28-F104 HydrophobicContact CD1-CB 3.79Å; Y28-F104 HydrophobicContact CD1-CD2 4.19Å; Y28-F104 HydrophobicContact CD1-CG 4.27Å; Y28-F104 HydrophobicContact CD2-CB 4.15Å; Y28-F104 AromaticContact CD2-CD2 3.92Å; Y28-F104 HydrophobicContact CD2-CD2 3.92Å; Y28-F104 HydrophobicContact CE1-CB 3.71Å; Y28-F104 HydrophobicContact CE2-CB 4.07Å; Y28-F104 HydrophobicContact CG-CB 4.01Å; Y28-F104 AromaticContact CG-CD2 3.67Å; Y28-F104 HydrophobicContact CG-CD2 3.67Å; Y28-F104 HydrophobicContact CG-CG 4.19Å; Y28-F104 PolarHBondContact OH-N 3.1Å; F30-F104 HydrophobicContact CE1-CB 3.86Å; F30-F104 HydrophobicContact CE1-CD1 4.31Å; F30-F104 HydrophobicContact CE1-CG 4.2Å; F30-F104 HydrophobicContact CZ-CB 3.92Å; F30-F104 AromaticContact CZ-CD1 3.78Å; F30-F104 HydrophobicContact CZ-CD1 3.78Å; F30-F104 HydrophobicContact CZ-CD2 4.4Å; F30-F104 HydrophobicContact CZ-CE1 4.44Å; F30-F104 AromaticContact CZ-CG 3.75Å; F30-F104 HydrophobicContact CZ-CG 3.75Å; D95-F104 PolarHBondContact OD2-N 3.42Å; F104-R108 VanDerWaalsContact O-CB 3.28Å; F104-R108 WeakPolarHBondContact O-CB 3.38Å; F104-R108 PolarHBondContact O-N 3.4Å
105N92.6Very high91.8Very high43 Ų4386.2 Ų86.223%0.2340%0.396CS..Hα-helixtrans-69.1-36.9179.6-67.9-30.4000112D96 S103 R108 K109D96-N105 WeakPolarHBondContact OD1-CB 3.36Å; D96-N105 PolarHBondContact OD2-ND2 2.96Å; S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 3.08Å; N105-R108 PolarHBondContact O-N 2.96Å; N105-K109 VanDerWaalsContact O-CB 3.23Å; N105-K109 WeakPolarHBondContact O-CB 3.38Å; N105-K109 PolarHBondContact O-N 3.41Å
106A91.8Very high91.8Very high27 Ų2795.4 Ų95.422%0.22343%0.43CS..Hα-helixtrans-65-47.1176.500000111.3R100 E101 S103 R108 K109 Q110R100-A106 WeakPolarHBondContact O-CB 3.46Å; E101-A106 VanDerWaalsContact O-CB 3.24Å; E101-A106 WeakPolarHBondContact O-CB 3.37Å; S103-A106 PolarHBondContact O-N 3.45Å; S103-A106 VanDerWaalsContact OG-CB 3.29Å; S103-A106 WeakPolarHBondContact OG-CB 3.28Å; S103-A106 PolarHBondContact OG-N 3.16Å; S103-A106 VanDerWaalsContact OG-N 3.08Å; A106-R108 PolarHBondContact O-N 3.14Å; A106-K109 WeakPolarHBondContact O-CB 3.24Å; A106-K109 PolarHBondContact O-N 3.48Å; A106-Q110 PolarHBondContact O-N 2.9Å
107Q90.5Very high91.8Very high41 Ų4197.2 Ų97.219%0.19244%0.443CS..Hα-helixtrans-58.8-49174.3-68.5-178.244.500111.1W22 N102 S103 K109 Q110 E111W22-Q107 HydrophobicContact CE3-CB 4.47Å; W22-Q107 HydrophobicContact CZ3-CB 4.47Å; W22-Q107 WeakPolarHBondContact CZ3-O 3.23Å; N102-Q107 PolarHBondContact O-NE2 2.71Å; S103-Q107 WeakPolarHBondContact O-CG 3.44Å; S103-Q107 PolarHBondContact O-N 2.86Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.27Å; Q107-Q110 WeakPolarHBondContact O-CB 3.48Å; Q107-Q110 PolarHBondContact O-N 2.73Å; Q107-Q110 VanDerWaalsContact O-N 3.1Å; Q107-E111 PolarHBondContact O-N 2.93Å
108R91.8Very high91.8Very high134 Ų13497.5 Ų97.551%0.50645%0.446SS..Hα-helixtrans-61.3-36.6177.7-171.6178.4-179.1-168.60.7112.6F104 N105 A106 E111 L112F104-R108 VanDerWaalsContact O-CB 3.28Å; F104-R108 WeakPolarHBondContact O-CB 3.38Å; F104-R108 PolarHBondContact O-N 3.4Å; N105-R108 PolarHBondContact O-N 2.96Å; A106-R108 PolarHBondContact O-N 3.14Å; R108-E111 WeakPolarHBondContact O-CB 3.29Å; R108-E111 PolarHBondContact O-N 3.4Å; R108-L112 WeakPolarHBondContact O-CG 3.46Å; R108-L112 PolarHBondContact O-N 3.5Å; R108-L112 VanDerWaalsContact O-N 3.07Å
109K92.7Very high91.9Very high163 Ų16396.7 Ų96.771%0.70945%0.446SS*.Hα-helixtrans-66.4-40.4175.3-176.1179.3179.5-177.60111.1N105 A106 Q107 R113N105-K109 VanDerWaalsContact O-CB 3.23Å; N105-K109 WeakPolarHBondContact O-CB 3.38Å; N105-K109 PolarHBondContact O-N 3.41Å; A106-K109 WeakPolarHBondContact O-CB 3.24Å; A106-K109 PolarHBondContact O-N 3.48Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.27Å; K109-R113 WeakPolarHBondContact O-CB 3.41Å; K109-R113 PolarHBondContact O-N 3.32Å
110Q91.5Very high92.1Very high101 Ų101100.6 Ų100.647%0.47246%0.46SS..Hα-helixtrans-64-44.5174.7-168.7-175-32.200111W22 A106 Q107 L112 R113 E114W22-Q110 HydrophobicContact CH2-CB 3.82Å; W22-Q110 HydrophobicContact CH2-CG 3.76Å; W22-Q110 HydrophobicContact CZ3-CB 3.96Å; W22-Q110 HydrophobicContact CZ3-CG 4.32Å; A106-Q110 PolarHBondContact O-N 2.9Å; Q107-Q110 WeakPolarHBondContact O-CB 3.48Å; Q107-Q110 PolarHBondContact O-N 2.73Å; Q107-Q110 VanDerWaalsContact O-N 3.1Å; Q110-L112 PolarHBondContact O-N 3.46Å; Q110-R113 WeakPolarHBondContact O-CB 3.31Å; Q110-R113 PolarHBondContact O-N 3.31Å; Q110-R113 VanDerWaalsContact O-N 3.1Å; Q110-E114 PolarHBondContact NE2-OE1 2.99Å; Q110-E114 PolarHBondContact O-N 2.83Å
111E90.5Very high92.4Very high38 Ų3893.2 Ų93.218%0.17844%0.441CS..Hα-helixtrans-53.4-52174.7-177.5178-17300112.2W22 Q107 R108 R113 E114 K115W22-E111 HydrophobicContact CB-CG 4.4Å; W22-E111 VanDerWaalsContact CD1-CD 3.5Å; W22-E111 HydrophobicContact CD2-CB 3.36Å; W22-E111 HydrophobicContact CD2-CG 3.57Å; W22-E111 VanDerWaalsContact CE2-CB 3.49Å; W22-E111 HydrophobicContact CE3-CB 3.56Å; W22-E111 HydrophobicContact CE3-CG 4.28Å; W22-E111 HydrophobicContact CG-CB 3.89Å; W22-E111 HydrophobicContact CG-CG 3.57Å; W22-E111 VanDerWaalsContact CH2-CA 3.49Å; W22-E111 HydrophobicContact CH2-CB 3.99Å; W22-E111 HydrophobicContact CZ2-CB 3.82Å; W22-E111 HydrophobicContact CZ2-CG 4.24Å; W22-E111 HydrophobicContact CZ3-CB 3.87Å; Q107-E111 PolarHBondContact O-N 2.93Å; R108-E111 WeakPolarHBondContact O-CB 3.29Å; R108-E111 PolarHBondContact O-N 3.4Å; E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 2.59Å; E111-E114 PolarHBondContact O-N 3.26Å; E111-K115 HydrophobicContact CG-CD 4.1Å; E111-K115 WeakPolarHBondContact O-CB 3.33Å; E111-K115 WeakPolarHBondContact O-CG 3.39Å; E111-K115 PolarHBondContact O-N 3.36Å; E111-K115 VanDerWaalsContact OE1-CE 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.23Å; E111-K115 IonicContact OE1-NZ 2.93Å; E111-K115 PolarHBondContact OE1-NZ 2.89Å
112L92.2Very high92.7Very high87 Ų8792.4 Ų92.446%0.45544%0.435SS..Hα-helixtrans-63-36-179.8-71.5173000111.4R108 Q110 R116R108-L112 WeakPolarHBondContact O-CG 3.46Å; R108-L112 PolarHBondContact O-N 3.5Å; R108-L112 VanDerWaalsContact O-N 3.07Å; Q110-L112 PolarHBondContact O-N 3.46Å; L112-R116 WeakPolarHBondContact O-CB 3.48Å; L112-R116 VanDerWaalsContact O-CG 3.22Å; L112-R116 WeakPolarHBondContact O-CG 3.44Å; L112-R116 PolarHBondContact O-N 3.33Å
113R93.9Very high93.1Very high185 Ų18590.6 Ų90.670%0.69843%0.43SS*.Hα-helixtrans-64.5-47.2174.8-174.7-177.9-179.2-1670.6111.1K109 Q110 E111 R116 V117K109-R113 WeakPolarHBondContact O-CB 3.41Å; K109-R113 PolarHBondContact O-N 3.32Å; Q110-R113 WeakPolarHBondContact O-CB 3.31Å; Q110-R113 PolarHBondContact O-N 3.31Å; Q110-R113 VanDerWaalsContact O-N 3.1Å; E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 2.59Å; R113-R116 WeakPolarHBondContact O-CB 3.47Å; R113-R116 PolarHBondContact O-N 3.47Å; R113-V117 WeakPolarHBondContact O-CG2 3.38Å; R113-V117 PolarHBondContact O-N 3.4Å
114E91.3Very high93.4Very high82 Ų8294.3 Ų94.338%0.38345%0.45SS..Hα-helixtrans-63.6-43.8178.7-71.3-177.8-157.900111.8W22 Q110 E111 R116 V117 N118W22-E114 HydrophobicContact CZ2-CG 4.48Å; W22-E114 WeakPolarHBondContact CZ2-OE2 3.46Å; Q110-E114 PolarHBondContact NE2-OE1 2.99Å; Q110-E114 PolarHBondContact O-N 2.83Å; E111-E114 PolarHBondContact O-N 3.26Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 2.88Å; E114-V117 PolarHBondContact O-N 3.03Å; E114-N118 WeakPolarHBondContact O-CB 3.43Å; E114-N118 VanDerWaalsContact O-CG 3.32Å; E114-N118 PolarHBondContact O-N 3.45Å
115K91.9Very high93.6Very high110 Ų110100.7 Ų100.748%0.47848%0.478SS..Hα-helixtrans-58.3-42.7173.2-75.6176.3172.7171.10112.1E111 T119E111-K115 HydrophobicContact CG-CD 4.1Å; E111-K115 WeakPolarHBondContact O-CB 3.33Å; E111-K115 WeakPolarHBondContact O-CG 3.39Å; E111-K115 PolarHBondContact O-N 3.36Å; E111-K115 VanDerWaalsContact OE1-CE 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.23Å; E111-K115 IonicContact OE1-NZ 2.93Å; E111-K115 PolarHBondContact OE1-NZ 2.89Å; K115-T119 WeakPolarHBondContact O-CB 3.24Å; K115-T119 PolarHBondContact O-N 3.02Å; K115-T119 PolarHBondContact O-OG1 2.83Å
116R95.2Very high93.8Very high193 Ų193102.3 Ų102.373%0.72849%0.489SS*.Hα-helixtrans-63.5-45.7175.7-77174.1178.9-166.90.6112L112 R113 E114 T119 K120L112-R116 WeakPolarHBondContact O-CB 3.48Å; L112-R116 VanDerWaalsContact O-CG 3.22Å; L112-R116 WeakPolarHBondContact O-CG 3.44Å; L112-R116 PolarHBondContact O-N 3.33Å; R113-R116 WeakPolarHBondContact O-CB 3.47Å; R113-R116 PolarHBondContact O-N 3.47Å; E114-R116 VanDerWaalsContact C-N 3.33Å; E114-R116 PolarHBondContact O-N 2.88Å; R116-T119 PolarHBondContact O-N 3.34Å; R116-K120 WeakPolarHBondContact O-CB 3.41Å; R116-K120 PolarHBondContact O-N 2.56Å
117V94.6Very high94.1Very high86 Ų86108.7 Ų108.752%0.52151%0.507SS..Hα-helixtrans-61.8-47177.8171.20000110.8R113 E114 T119 K120 A121R113-V117 WeakPolarHBondContact O-CG2 3.38Å; R113-V117 PolarHBondContact O-N 3.4Å; E114-V117 PolarHBondContact O-N 3.03Å; V117-T119 PolarHBondContact O-N 3.21Å; V117-K120 PolarHBondContact O-N 3.06Å; V117-A121 WeakPolarHBondContact O-CB 3.34Å; V117-A121 PolarHBondContact O-N 3.26Å
118N92.7Very high94.4Very high96 Ų96111.6 Ų111.651%0.51352%0.521SS..Hα-helixtrans-62.8-41.5178.5-73.5-15.9000112.1E114 A121 K122E114-N118 WeakPolarHBondContact O-CB 3.43Å; E114-N118 VanDerWaalsContact O-CG 3.32Å; E114-N118 PolarHBondContact O-N 3.45Å; N118-A121 PolarHBondContact O-N 3.08Å; N118-K122 WeakPolarHBondContact O-CG 3.38Å; N118-K122 PolarHBondContact O-N 3.37Å
119T94.8Very high94.6Very high84 Ų84113.7 Ų113.752%0.51553%0.529SS..Hα-helixtrans-62.7-46.5175.7-56.70000110.8K115 R116 V117 A121 K122 C123K115-T119 WeakPolarHBondContact O-CB 3.24Å; K115-T119 PolarHBondContact O-N 3.02Å; K115-T119 PolarHBondContact O-OG1 2.83Å; R116-T119 PolarHBondContact O-N 3.34Å; V117-T119 PolarHBondContact O-N 3.21Å; T119-A121 PolarHBondContact O-N 3.44Å; T119-K122 PolarHBondContact O-N 3.49Å; T119-C123 PolarHBondContact O-N 2.99Å; T119-C123 PolarHBondContact O-SG 2.92Å
120K96.5Very high94.8Very high146 Ų146114.6 Ų114.664%0.63553%0.528SS*.Hα-helixtrans-59.7-44.9176.5-171.6177.3-179.4-178.80111.7R116 V117 K122 C123 L124R116-K120 WeakPolarHBondContact O-CB 3.41Å; R116-K120 PolarHBondContact O-N 2.56Å; V117-K120 PolarHBondContact O-N 3.06Å; K120-K122 PolarHBondContact O-N 3.09Å; K120-C123 PolarHBondContact O-N 3.32Å; K120-L124 HydrophobicContact CG-CD1 4.3Å; K120-L124 WeakPolarHBondContact O-CG 3.5Å; K120-L124 PolarHBondContact O-N 3.41Å
121A95.9Very high95Very high43 Ų43114.6 Ų114.636%0.35553%0.528SS..Hα-helixtrans-61.8-40.917700000112.4V117 N118 T119 L124 K125V117-A121 WeakPolarHBondContact O-CB 3.34Å; V117-A121 PolarHBondContact O-N 3.26Å; N118-A121 PolarHBondContact O-N 3.08Å; T119-A121 PolarHBondContact O-N 3.44Å; A121-L124 PolarHBondContact O-N 3.42Å; A121-K125 WeakPolarHBondContact O-CG 3.26Å; A121-K125 PolarHBondContact O-N 3.39Å; A121-K125 VanDerWaalsContact O-N 3.09Å
122K95.1Very high95.3Very high151 Ų151119.1 Ų119.166%0.65755%0.549SS*.Hα-helixtrans-62.4-46.5173.7-72.7177-178.9-174.50111.6N118 T119 K120 L124 K125 V126N118-K122 WeakPolarHBondContact O-CG 3.38Å; N118-K122 PolarHBondContact O-N 3.37Å; T119-K122 PolarHBondContact O-N 3.49Å; K120-K122 PolarHBondContact O-N 3.09Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 2.94Å; K122-K125 PolarHBondContact O-N 3.49Å; K122-V126 VanDerWaalsContact O-CG2 3.28Å; K122-V126 WeakPolarHBondContact O-CG2 3.45Å; K122-V126 PolarHBondContact O-N 2.9Å
123C96.8Very high95.5Very high78 Ų78119.4 Ų119.453%0.52755%0.55SS.*Hα-helixtrans-61.6-39.9178.1-66.50000112.4T119 K120 V126 R127T119-C123 PolarHBondContact O-N 2.99Å; T119-C123 PolarHBondContact O-SG 2.92Å; K120-C123 PolarHBondContact O-N 3.32Å; C123-V126 PolarHBondContact O-N 3.17Å; C123-R127 WeakPolarHBondContact O-CB 3.46Å; C123-R127 PolarHBondContact O-N 3.01Å
124L97.2Very high95.6Very high80 Ų80116.9 Ų116.942%0.41954%0.544SS..Hα-helixtrans-62-48.9175.6-72.4170.6000111.5K120 A121 K122 V126 R127 E128K120-L124 HydrophobicContact CG-CD1 4.3Å; K120-L124 WeakPolarHBondContact O-CG 3.5Å; K120-L124 PolarHBondContact O-N 3.41Å; A121-L124 PolarHBondContact O-N 3.42Å; K122-L124 VanDerWaalsContact C-N 3.33Å; K122-L124 PolarHBondContact O-N 2.94Å; L124-V126 VanDerWaalsContact C-N 3.3Å; L124-V126 PolarHBondContact O-N 3.21Å; L124-R127 WeakPolarHBondContact O-CB 3.34Å; L124-R127 PolarHBondContact O-N 2.89Å; L124-E128 WeakPolarHBondContact O-CG 3.45Å; L124-E128 PolarHBondContact O-N 2.98Å
125K96.8Very high95.8Very high146 Ų146116.8 Ų116.864%0.63555%0.55SS*.Hα-helixtrans-58.2-40.7176.2-71.5-179.7178.4-171.60112.9A121 K122 R127 E128 R129A121-K125 WeakPolarHBondContact O-CG 3.26Å; A121-K125 PolarHBondContact O-N 3.39Å; A121-K125 VanDerWaalsContact O-N 3.09Å; K122-K125 PolarHBondContact O-N 3.49Å; K125-R127 VanDerWaalsContact C-N 3.35Å; K125-E128 PolarHBondContact O-N 3.15Å; K125-R129 WeakPolarHBondContact O-CB 3.29Å; K125-R129 PolarHBondContact O-N 3.17Å
126V96.7Very high95.9Very high78 Ų78116.9 Ų116.947%0.47355%0.55SS.*Hα-helixtrans-64.4-41.3176.3172.50000110.8K122 C123 L124 R129 R130K122-V126 VanDerWaalsContact O-CG2 3.28Å; K122-V126 WeakPolarHBondContact O-CG2 3.45Å; K122-V126 PolarHBondContact O-N 2.9Å; C123-V126 PolarHBondContact O-N 3.17Å; L124-V126 VanDerWaalsContact C-N 3.3Å; L124-V126 PolarHBondContact O-N 3.21Å; V126-R129 PolarHBondContact O-N 3.13Å; V126-R130 WeakPolarHBondContact O-CG 3.44Å; V126-R130 PolarHBondContact O-N 3.19Å
127R96.8Very high95.8Very high161 Ų161112.6 Ų112.661%0.60854%0.541SS*.Hα-helixtrans-64.7-45.1176.5-177.4-179.4176.8176.20.7111.8C123 L124 K125 R130 Q131C123-R127 WeakPolarHBondContact O-CB 3.46Å; C123-R127 PolarHBondContact O-N 3.01Å; L124-R127 WeakPolarHBondContact O-CB 3.34Å; L124-R127 PolarHBondContact O-N 2.89Å; K125-R127 VanDerWaalsContact C-N 3.35Å; R127-R130 WeakPolarHBondContact O-CB 3.48Å; R127-R130 PolarHBondContact O-N 3.05Å; R127-Q131 WeakPolarHBondContact O-CG 3.49Å; R127-Q131 PolarHBondContact O-N 3.08Å
128E97.1Very high95.6Very high101 Ų101112.7 Ų112.747%0.47254%0.536SS..Hα-helixtrans-59.6-46.2176-71.9166.1-178.500111.1L124 K125 R130 Q131 Q132L124-E128 WeakPolarHBondContact O-CG 3.45Å; L124-E128 PolarHBondContact O-N 2.98Å; K125-E128 PolarHBondContact O-N 3.15Å; E128-R130 VanDerWaalsContact C-N 3.32Å; E128-R130 PolarHBondContact O-N 3.42Å; E128-Q131 WeakPolarHBondContact O-CB 3.45Å; E128-Q131 PolarHBondContact O-N 2.93Å; E128-Q131 VanDerWaalsContact O-N 3.15Å; E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 3.46Å
129R96.7Very high95.5Very high178 Ų178111 Ų11167%0.67253%0.529SS*.Hα-helixtrans-60.9-39.2176.2-172.8175.9-178.2-177.20.6112.4K125 V126 Q132 L133K125-R129 WeakPolarHBondContact O-CB 3.29Å; K125-R129 PolarHBondContact O-N 3.17Å; V126-R129 PolarHBondContact O-N 3.13Å; R129-Q132 PolarHBondContact O-N 3.24Å; R129-L133 HydrophobicContact CG-CD1 4.32Å; R129-L133 WeakPolarHBondContact O-CB 3.28Å; R129-L133 WeakPolarHBondContact O-CG 3.33Å; R129-L133 PolarHBondContact O-N 2.95Å
130R96.8Very high94.8Very high182 Ų182113 Ų11369%0.68753%0.527SS*.Hα-helixtrans-64.8-41.1174.8-74.7177.3-180-172.2-0.5111.9V126 R127 E128 L133 K134V126-R130 WeakPolarHBondContact O-CG 3.44Å; V126-R130 PolarHBondContact O-N 3.19Å; R127-R130 WeakPolarHBondContact O-CB 3.48Å; R127-R130 PolarHBondContact O-N 3.05Å; E128-R130 VanDerWaalsContact C-N 3.32Å; E128-R130 PolarHBondContact O-N 3.42Å; R130-L133 PolarHBondContact O-N 2.75Å; R130-K134 WeakPolarHBondContact O-CB 3.48Å; R130-K134 PolarHBondContact O-N 2.88Å
131Q96.6Very high94.4Very high101 Ų101110.4 Ų110.447%0.47252%0.524SS..Hα-helixtrans-63.2-46175.7-73.2173.9-30.400111.2R127 E128 L133 K134 T135R127-Q131 WeakPolarHBondContact O-CG 3.49Å; R127-Q131 PolarHBondContact O-N 3.08Å; E128-Q131 WeakPolarHBondContact O-CB 3.45Å; E128-Q131 PolarHBondContact O-N 2.93Å; E128-Q131 VanDerWaalsContact O-N 3.15Å; Q131-L133 PolarHBondContact O-N 3.38Å; Q131-K134 WeakPolarHBondContact O-CB 3.15Å; Q131-K134 PolarHBondContact O-N 2.84Å; Q131-T135 PolarHBondContact O-N 3.25Å; Q131-T135 PolarHBondContact O-OG1 2.81Å; Q131-T135 VanDerWaalsContact O-OG1 3.1Å
132Q96.4Very high93.7Very high133 Ų133115.4 Ų115.462%0.62154%0.54SS*.Hα-helixtrans-59.4-44.7176.2-70.9171-4.400112.6E128 R129 K134 T135 K136E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 3.46Å; R129-Q132 PolarHBondContact O-N 3.24Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-T135 PolarHBondContact O-N 2.86Å; Q132-K136 WeakPolarHBondContact O-CB 3.5Å; Q132-K136 PolarHBondContact O-N 2.89Å
133L95.4Very high92.9Very high93 Ų93114.9 Ų114.949%0.48754%0.54SS..Hα-helixtrans-62.2-42175.8-76.3167.7000111.6R129 R130 Q131 K136 L137R129-L133 HydrophobicContact CG-CD1 4.32Å; R129-L133 WeakPolarHBondContact O-CB 3.28Å; R129-L133 WeakPolarHBondContact O-CG 3.33Å; R129-L133 PolarHBondContact O-N 2.95Å; R130-L133 PolarHBondContact O-N 2.75Å; Q131-L133 PolarHBondContact O-N 3.38Å; L133-K136 PolarHBondContact O-N 2.79Å; L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 WeakPolarHBondContact O-CD1 3.47Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 2.91Å
134K96Very high91.9Very high132 Ų132117.4 Ų117.457%0.57455%0.548SS*.Hα-helixtrans-61-49.2176.4-167.7-169.9177.8-153.90111.2R130 Q131 Q132 K136 L137 E138R130-K134 WeakPolarHBondContact O-CB 3.48Å; R130-K134 PolarHBondContact O-N 2.88Å; Q131-K134 WeakPolarHBondContact O-CB 3.15Å; Q131-K134 PolarHBondContact O-N 2.84Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.33Å; K134-L137 WeakPolarHBondContact O-CB 3.27Å; K134-L137 PolarHBondContact O-N 3.3Å; K134-E138 WeakPolarHBondContact CE-OE1 3.42Å; K134-E138 IonicContact NZ-OE1 3.45Å; K134-E138 PolarHBondContact NZ-OE1 3.26Å; K134-E138 WeakPolarHBondContact O-CG 3.44Å; K134-E138 PolarHBondContact O-N 2.79Å
135T95.7Very high90.9Very high80 Ų80118.6 Ų118.649%0.49156%0.558SS.*Hα-helixtrans-61.9-40177-55.60000111.9Q131 Q132 E138 V139Q131-T135 PolarHBondContact O-N 3.25Å; Q131-T135 PolarHBondContact O-OG1 2.81Å; Q131-T135 VanDerWaalsContact O-OG1 3.1Å; Q132-T135 PolarHBondContact O-N 2.86Å; T135-E138 PolarHBondContact O-N 3.25Å; T135-V139 WeakPolarHBondContact O-CG2 3.1Å; T135-V139 PolarHBondContact O-N 3.43Å
136K94.4Very high89.5Confident113 Ų113118.9 Ų118.949%0.49157%0.566SS.*Hα-helixtrans-64.6-41177-166.4179.9-172.1-169.60112.2Q132 L133 K134 V139 W140Q132-K136 WeakPolarHBondContact O-CB 3.5Å; Q132-K136 PolarHBondContact O-N 2.89Å; L133-K136 PolarHBondContact O-N 2.79Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.33Å; K136-V139 PolarHBondContact O-N 2.98Å; K136-W140 HydrophobicContact CD-CZ2 4.09Å; K136-W140 HydrophobicContact CG-CZ2 4.36Å; K136-W140 PolarHBondContact O-N 3.01Å
137L92.8Very high88.4Confident102 Ų102120 Ų12053%0.53458%0.575SS.*Hα-helixtrans-62.9-43.5173.9-74.9161.8000111.4L133 K134 V139 W140 T141L133-L137 WeakPolarHBondContact O-CB 3.35Å; L133-L137 WeakPolarHBondContact O-CD1 3.47Å; L133-L137 VanDerWaalsContact O-CG 3.28Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 2.91Å; K134-L137 WeakPolarHBondContact O-CB 3.27Å; K134-L137 PolarHBondContact O-N 3.3Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-V139 PolarHBondContact O-N 3.27Å; L137-W140 HydrophobicContact CD2-CE3 4.48Å; L137-W140 PolarHBondContact O-N 3.45Å; L137-T141 WeakPolarHBondContact O-CG2 3.4Å; L137-T141 PolarHBondContact O-N 3.1Å; L137-T141 PolarHBondContact O-OG1 3.44Å
138E90.9Very high87.2Confident88 Ų88118.3 Ų118.341%0.41159%0.585SS.*Hα-helixtrans-58.8-41.9176.1-72.2164.9179.800111.5K134 T135 T141 Q142K134-E138 WeakPolarHBondContact CE-OE1 3.42Å; K134-E138 IonicContact NZ-OE1 3.45Å; K134-E138 PolarHBondContact NZ-OE1 3.26Å; K134-E138 WeakPolarHBondContact O-CG 3.44Å; K134-E138 PolarHBondContact O-N 2.79Å; T135-E138 PolarHBondContact O-N 3.25Å; E138-T141 WeakPolarHBondContact CA-OG1 3.44Å; E138-T141 PolarHBondContact O-N 3.39Å; E138-T141 PolarHBondContact O-OG1 2.81Å; E138-Q142 WeakPolarHBondContact O-CG 3.36Å; E138-Q142 PolarHBondContact O-N 2.87Å
139V90Very high86.3Confident61 Ų61121.8 Ų121.837%0.3760%0.604SS.*Hα-helixtrans-64.6-47.2174.6173.60000111.7T135 K136 L137 T141 Q142 E143T135-V139 WeakPolarHBondContact O-CG2 3.1Å; T135-V139 PolarHBondContact O-N 3.43Å; K136-V139 PolarHBondContact O-N 2.98Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-V139 PolarHBondContact O-N 3.27Å; V139-T141 VanDerWaalsContact C-N 3.29Å; V139-T141 PolarHBondContact O-N 3.03Å; V139-Q142 WeakPolarHBondContact O-CB 3.37Å; V139-Q142 PolarHBondContact O-N 2.83Å; V139-E143 PolarHBondContact O-N 2.87Å
140W81.2Confident84.9Confident125 Ų125121.2 Ų121.247%0.47364%0.638SS.*Hα-helixtrans-59-40.8178-69.4-6.6000112.1K136 L137 Q142 E143 D144K136-W140 HydrophobicContact CD-CZ2 4.09Å; K136-W140 HydrophobicContact CG-CZ2 4.36Å; K136-W140 PolarHBondContact O-N 3.01Å; L137-W140 HydrophobicContact CD2-CE3 4.48Å; L137-W140 PolarHBondContact O-N 3.45Å; W140-Q142 PolarHBondContact O-N 2.8Å; W140-E143 PolarHBondContact O-N 2.91Å; W140-D144 PolarHBondContact O-N 2.88Å; W140-D144 VanDerWaalsContact O-N 3.16Å
141T87.2Confident84.3Confident93 Ų93118.2 Ų118.257%0.57164%0.635SS**Hα-helixtrans-65.5-22176.254.50000114.4L137 E138 V139 V145L137-T141 WeakPolarHBondContact O-CG2 3.4Å; L137-T141 PolarHBondContact O-N 3.1Å; L137-T141 PolarHBondContact O-OG1 3.44Å; E138-T141 WeakPolarHBondContact CA-OG1 3.44Å; E138-T141 PolarHBondContact O-N 3.39Å; E138-T141 PolarHBondContact O-OG1 2.81Å; V139-T141 VanDerWaalsContact C-N 3.29Å; V139-T141 PolarHBondContact O-N 3.03Å; T141-V145 WeakPolarHBondContact O-CG2 2.99Å
142Q80.1Confident83.7Confident147 Ų147119.1 Ų119.169%0.68764%0.644SS**Hα-helixtrans-81.8-35.3175.3-71.9176.3-20.600112.1E138 V139 W140E138-Q142 WeakPolarHBondContact O-CG 3.36Å; E138-Q142 PolarHBondContact O-N 2.87Å; V139-Q142 WeakPolarHBondContact O-CB 3.37Å; V139-Q142 PolarHBondContact O-N 2.83Å; W140-Q142 PolarHBondContact O-N 2.8Å
143E79.1Confident83Confident141 Ų141118.3 Ų118.366%0.65965%0.645SS**Hα-helixtrans-72.2-32.4179.2-68.5175166.900112.4V139 W140 V145V139-E143 PolarHBondContact O-N 2.87Å; W140-E143 PolarHBondContact O-N 2.91Å; E143-V145 PolarHBondContact O-N 3.38Å
144D75.8Confident82.2Confident130 Ų130119.8 Ų119.870%0.69566%0.655SS**THydrogen-bonded Turntrans-75.6-3.6178.9-69.4-32000113.9W140 L146W140-D144 PolarHBondContact O-N 2.88Å; W140-D144 VanDerWaalsContact O-N 3.16Å; D144-L146 PolarHBondContact O-N 3.4Å
145V75.4Confident81.4Confident106 Ų106119 Ų11964%0.64266%0.66SS**  trans-73.895.1174.6-173.20000108.4T141 E143T141-V145 WeakPolarHBondContact O-CG2 2.99Å; E143-V145 PolarHBondContact O-N 3.38Å
146L69.1Low80.4Confident152 Ų152121.6 Ų121.680%0.79667%0.671SS**PPolyproline II helixtrans-50.5134.2172-77.5163.6000109.5D144D144-L146 PolarHBondContact O-N 3.4Å
147P73.1Confident79.4Confident102 Ų102122.2 Ų122.266%0.66268%0.684SS**PPolyproline II helixtrans-56.7144.9175.524.9-33000109.1I149P147-I149 PolarHBondContact O-N 2.84Å
148P72.2Confident78.4Confident125 Ų125123.8 Ų123.881%0.81270%0.695SS**PPolyproline II helixtrans-55.1133.5176.523.3-31.8000108.9A150P148-A150 PolarHBondContact O-N 3.36Å
149I77.2Confident77.3Confident173 Ų173126.8 Ų126.889%0.88772%0.719SS**  trans-63.2111.6175.7-56.4168.7000106.1P147P147-I149 PolarHBondContact O-N 2.84Å
150A67.7Low76.2Confident166 Ų166132.7 Ų132.7100%1.37275%0.751SS**  trans-67.5017700000111.7P148P148-A150 PolarHBondContact O-N 3.36Å

Retrieved 150 of 150 residues in 250.8 ms (Link to these results)

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