A0A087XDP8_POEFO Loading...

Allograft inflammatory factor 1

AlphaFold DB , UniProt , Accession A0A087XDP8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 147 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
1M36.6Very low58.7Low229 Ų229124.5 Ų124.5100%1.12871%0.705SS**  0105.10-69.6-175.8178.400106.3N3M1-N3 PolarHBondContact O-N 3.2Å
2D38.9Very low61.1Low164 Ų164117.3 Ų117.388%0.87768%0.68SS**  trans-67.8112.9-171-64.2-61.8000111.1N4D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.44Å
3N46.6Very low63.2Low164 Ų164116.3 Ų116.388%0.87767%0.669SS**  trans-73.879.5174.3-86-41.7000109.5M1 A5M1-N3 PolarHBondContact O-N 3.2Å; N3-A5 VanDerWaalsContact C-N 3.32Å; N3-A5 PolarHBondContact O-N 2.89Å
4N41.4Very low64.9Low120 Ų120113.5 Ų113.564%0.64265%0.65SS**  trans-81.477.8178.1-155.827.9000111.6D2 Q6D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.44Å; N4-Q6 PolarHBondContact ND2-OE1 3.03Å; N4-Q6 PolarHBondContact O-N 3.3Å; N4-Q6 WeakPolarHBondContact OD1-CB 3.41Å; N4-Q6 PolarHBondContact OD1-OE1 3.15Å; N4-Q6 VanDerWaalsContact OD1-OE1 3.07Å
5A48.4Very low66.4Low91 Ų91108.8 Ų108.875%0.75262%0.619SS**  trans-77.841.2170.200000112.4N3N3-A5 VanDerWaalsContact C-N 3.32Å; N3-A5 PolarHBondContact O-N 2.89Å
6Q50.5Low67.9Low113 Ų113105.3 Ų105.353%0.52860%0.603SS.*  trans-86.1-17-164-173.8174.713.100114.7N4 G8 K9 A10N4-Q6 PolarHBondContact ND2-OE1 3.03Å; N4-Q6 PolarHBondContact O-N 3.3Å; N4-Q6 WeakPolarHBondContact OD1-CB 3.41Å; N4-Q6 PolarHBondContact OD1-OE1 3.15Å; N4-Q6 VanDerWaalsContact OD1-OE1 3.07Å; Q6-G8 PolarHBondContact O-N 3.36Å; Q6-K9 PolarHBondContact O-N 3.17Å; Q6-A10 WeakPolarHBondContact O-CB 3.37Å; Q6-A10 PolarHBondContact O-N 2.94Å
7G58.8Low69.3Low57 Ų57105.3 Ų105.359%0.58860%0.597SS**Hα-helixtrans-58.7-44.2-175.600000113.7Y11G7-Y11 WeakPolarHBondContact O-CB 3.14Å; G7-Y11 PolarHBondContact O-N 3.19Å
8G74Confident70.5Confident58 Ų58100.8 Ų100.860%0.59857%0.57SS**Hα-helixtrans-69.6-40.9-176.100000114.3Q6 G12Q6-G8 PolarHBondContact O-N 3.36Å; G8-G12 PolarHBondContact O-N 3.42Å
9K83.5Confident71.7Confident180 Ų18099.4 Ų99.478%0.78356%0.559SS**Hα-helixtrans-71.6-44.8-179.9-69.5-174.9178.6-1770111.9Q6 G12 L13Q6-K9 PolarHBondContact O-N 3.17Å; K9-G12 PolarHBondContact O-N 3.1Å; K9-L13 PolarHBondContact O-N 3.36Å
10A84.7Confident72.9Confident52 Ų52100.1 Ų100.143%0.4356%0.557SS.*Hα-helixtrans-65.5-41.7177.800000111.5Q6 L13 L14Q6-A10 WeakPolarHBondContact O-CB 3.37Å; Q6-A10 PolarHBondContact O-N 2.94Å; A10-L13 PolarHBondContact O-N 3Å; A10-L14 WeakPolarHBondContact O-CB 3.26Å; A10-L14 PolarHBondContact O-N 3.17Å
11Y82.6Confident74Confident141 Ų141100.8 Ų100.855%0.55355%0.554SS**Hα-helixtrans-64.5-42.3175.9-178.6-99.9000112.6G7 L14 K15G7-Y11 WeakPolarHBondContact O-CB 3.14Å; G7-Y11 PolarHBondContact O-N 3.19Å; Y11-L14 PolarHBondContact O-N 3.16Å; Y11-K15 HydrophobicContact CD1-CG 4.37Å; Y11-K15 HydrophobicContact CE1-CG 3.94Å; Y11-K15 HydrophobicContact CE2-CG 4.38Å; Y11-K15 PolarHBondContact O-N 3.45Å; Y11-K15 WeakPolarHBondContact OH-CE 3.46Å
12G86.8Confident76.8Confident39 Ų3990.3 Ų90.340%0.40250%0.503SS..Hα-helixtrans-60.4-44.3174.600000112.4G8 K9 K15 S16G8-G12 PolarHBondContact O-N 3.42Å; K9-G12 PolarHBondContact O-N 3.1Å; G12-K15 PolarHBondContact O-N 3.18Å; G12-S16 PolarHBondContact O-N 3.13Å
13L89.1Confident79.6Confident104 Ų10485 Ų8555%0.54547%0.474SS..Hα-helixtrans-62.6-44.1175.5-177.862.9000111.9K9 A10 K15 S16 Q17K9-L13 PolarHBondContact O-N 3.36Å; A10-L13 PolarHBondContact O-N 3Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.19Å; L13-S16 WeakPolarHBondContact O-CB 3.4Å; L13-S16 PolarHBondContact O-N 2.98Å; L13-Q17 WeakPolarHBondContact O-CG 3.48Å; L13-Q17 PolarHBondContact O-N 3.42Å
14L86.1Confident82.1Confident77 Ų7780.6 Ų80.640%0.40346%0.457SS..Hα-helixtrans-58.4-44.3176178.466.6000111.4A10 Y11 Q17 Q18A10-L14 WeakPolarHBondContact O-CB 3.26Å; A10-L14 PolarHBondContact O-N 3.17Å; Y11-L14 PolarHBondContact O-N 3.16Å; L14-Q17 PolarHBondContact O-N 3.04Å; L14-Q18 WeakPolarHBondContact O-CG 3.47Å; L14-Q18 PolarHBondContact O-N 3.24Å
15K87.4Confident84.8Confident43 Ų4376 Ų7619%0.18743%0.432CS..Hα-helixtrans-66.2-38.6178.1-75.9-69.7177.2-170.10112.7Y11 G12 L13 Q18 E19 M53Y11-K15 HydrophobicContact CD1-CG 4.37Å; Y11-K15 HydrophobicContact CE1-CG 3.94Å; Y11-K15 HydrophobicContact CE2-CG 4.38Å; Y11-K15 PolarHBondContact O-N 3.45Å; Y11-K15 WeakPolarHBondContact OH-CE 3.46Å; G12-K15 PolarHBondContact O-N 3.18Å; L13-K15 VanDerWaalsContact C-N 3.32Å; L13-K15 PolarHBondContact O-N 3.19Å; K15-Q18 PolarHBondContact O-N 3.21Å; K15-E19 WeakPolarHBondContact O-CB 3.36Å; K15-E19 PolarHBondContact O-N 3.06Å; K15-M53 HydrophobicContact CD-CE 4.41Å
16S91Very high87.1Confident52 Ų5272.1 Ų72.136%0.36440%0.398SS..Hα-helixtrans-61.1-46.4172.9-164.90000111.6G12 L13 Q18 E19 E20G12-S16 PolarHBondContact O-N 3.13Å; L13-S16 WeakPolarHBondContact O-CB 3.4Å; L13-S16 PolarHBondContact O-N 2.98Å; S16-Q18 PolarHBondContact O-N 3.39Å; S16-E19 PolarHBondContact O-N 3.21Å; S16-E20 WeakPolarHBondContact O-CG 3.39Å; S16-E20 PolarHBondContact O-N 2.87Å
17Q91.6Very high89.4Confident106 Ų10672.9 Ų72.950%0.49540%0.402SS..Hα-helixtrans-64.4-39.1177.7-71.3175-0.600112.4L13 L14 K21L13-Q17 WeakPolarHBondContact O-CG 3.48Å; L13-Q17 PolarHBondContact O-N 3.42Å; L14-Q17 PolarHBondContact O-N 3.04Å; Q17-K21 PolarHBondContact O-N 3.12Å; Q17-K21 VanDerWaalsContact O-N 3.13Å
18Q90.8Very high91.2Very high24 Ų2472.4 Ų72.411%0.11239%0.392CS..Hα-helixtrans-59.5-50172-75.9179-2.100110.1L14 K15 S16 E20 K21 L22L14-Q18 WeakPolarHBondContact O-CG 3.47Å; L14-Q18 PolarHBondContact O-N 3.24Å; K15-Q18 PolarHBondContact O-N 3.21Å; S16-Q18 PolarHBondContact O-N 3.39Å; Q18-E20 PolarHBondContact O-N 3.02Å; Q18-K21 WeakPolarHBondContact O-CB 3.44Å; Q18-K21 PolarHBondContact O-N 3.29Å; Q18-L22 WeakPolarHBondContact O-CG 3.35Å; Q18-L22 PolarHBondContact O-N 2.89Å
19E94Very high92.3Very high75 Ų7569.9 Ų69.935%0.3537%0.365SS..Hα-helixtrans-59.8-45.2-179.6-175.1167.4-168.300112.8K15 S16 K21 L22 N23 K49 M53K15-E19 WeakPolarHBondContact O-CB 3.36Å; K15-E19 PolarHBondContact O-N 3.06Å; S16-E19 PolarHBondContact O-N 3.21Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 3.24Å; E19-L22 PolarHBondContact O-N 3.43Å; E19-L22 VanDerWaalsContact O-N 3.12Å; E19-N23 VanDerWaalsContact O-CG 3.27Å; E19-N23 PolarHBondContact O-N 2.96Å; E19-N23 PolarHBondContact O-ND2 3.43Å; E19-K49 HydrophobicContact CG-CD 4.35Å; E19-K49 IonicContact OE1-NZ 2.9Å; E19-K49 PolarHBondContact OE1-NZ 3.07Å; E19-M53 HydrophobicContact CB-CE 3.86Å; E19-M53 HydrophobicContact CB-SD 4.02Å; E19-M53 HydrophobicContact CG-CE 4.46Å; E19-M53 HydrophobicContact CG-SD 4.12Å
20E95.6Very high93Very high112 Ų11265.6 Ų65.652%0.52335%0.35SS..Hα-helixtrans-57-44.8175.8-75.3168.7-157.400111.7S16 Q18 L22 N23 S24S16-E20 WeakPolarHBondContact O-CG 3.39Å; S16-E20 PolarHBondContact O-N 2.87Å; Q18-E20 PolarHBondContact O-N 3.02Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.37Å; E20-N23 WeakPolarHBondContact O-CB 3.42Å; E20-N23 PolarHBondContact O-N 3.2Å; E20-S24 PolarHBondContact O-N 2.88Å; E20-S24 PolarHBondContact O-OG 2.86Å
21K95.3Very high93.5Very high116 Ų11667.7 Ų67.750%0.50436%0.361SS..Hα-helixtrans-61.1-40.9176.1-176.4-178.5176-172.90111.9Q17 Q18 E19 I25 K60Q17-K21 PolarHBondContact O-N 3.12Å; Q17-K21 VanDerWaalsContact O-N 3.13Å; Q18-K21 WeakPolarHBondContact O-CB 3.44Å; Q18-K21 PolarHBondContact O-N 3.29Å; E19-K21 VanDerWaalsContact C-N 3.32Å; E19-K21 PolarHBondContact O-N 3.24Å; K21-I25 WeakPolarHBondContact O-CG1 3.33Å; K21-I25 PolarHBondContact O-N 3.21Å; K21-K60 PolarHBondContact NZ-O 2.92Å; K21-K60 VanDerWaalsContact NZ-O 3.15Å
22L96.6Very high94.2Very high9 Ų964.3 Ų64.35%0.04735%0.353CS..Hα-helixtrans-69-36177.3-56.7179.7000111.7Q18 E19 E20 I25 N26 K49 Y52 M53 Y102Q18-L22 WeakPolarHBondContact O-CG 3.35Å; Q18-L22 PolarHBondContact O-N 2.89Å; E19-L22 PolarHBondContact O-N 3.43Å; E19-L22 VanDerWaalsContact O-N 3.12Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.37Å; L22-I25 PolarHBondContact O-N 2.68Å; L22-N26 PolarHBondContact O-N 2.96Å; L22-K49 HydrophobicContact CB-CD 3.98Å; L22-K49 HydrophobicContact CB-CG 3.76Å; L22-K49 HydrophobicContact CD1-CG 3.75Å; L22-K49 HydrophobicContact CG-CG 4.42Å; L22-Y52 HydrophobicContact CD1-CD1 4.04Å; L22-Y52 HydrophobicContact CD2-CD1 4.05Å; L22-Y52 HydrophobicContact CD2-CE1 4.13Å; L22-M53 HydrophobicContact CD1-CG 3.5Å; L22-M53 VanDerWaalsContact CD1-CG 3.5Å; L22-M53 HydrophobicContact CD1-SD 4.11Å; L22-Y102 HydrophobicContact CB-CD1 4.2Å; L22-Y102 HydrophobicContact CB-CE1 3.93Å; L22-Y102 HydrophobicContact CD2-CD1 3.44Å; L22-Y102 VanDerWaalsContact CD2-CD1 3.44Å; L22-Y102 HydrophobicContact CD2-CD2 3.87Å; L22-Y102 HydrophobicContact CD2-CE1 3.98Å; L22-Y102 HydrophobicContact CD2-CE2 4.36Å; L22-Y102 HydrophobicContact CD2-CG 3.38Å; L22-Y102 HydrophobicContact CG-CD1 4.37Å; L22-Y102 HydrophobicContact CG-CE1 4.47Å
23N97.5Very high94.6Very high52 Ų5271 Ų7128%0.27837%0.374SS..Hα-helixtrans-62.2-46175.4-69.2-23.3000111.2E19 E20 I25 N26 E27 K49E19-N23 VanDerWaalsContact O-CG 3.27Å; E19-N23 PolarHBondContact O-N 2.96Å; E19-N23 PolarHBondContact O-ND2 3.43Å; E20-N23 WeakPolarHBondContact O-CB 3.42Å; E20-N23 PolarHBondContact O-N 3.2Å; N23-I25 PolarHBondContact O-N 2.96Å; N23-N26 WeakPolarHBondContact O-CB 3.35Å; N23-N26 PolarHBondContact O-N 2.88Å; N23-E27 WeakPolarHBondContact O-CG 3.37Å; N23-E27 PolarHBondContact O-N 2.92Å; N23-K49 WeakPolarHBondContact OD1-CD 3.5Å; N23-K49 PolarHBondContact OD1-NZ 3.23Å
24S97.9Very high94.9Very high72 Ų7272.6 Ų72.650%0.50338%0.376SS..Hα-helixtrans-60.5-34.9175.8-58.90000112.5E20 A28E20-S24 PolarHBondContact O-N 2.88Å; E20-S24 PolarHBondContact O-OG 2.86Å; S24-A28 PolarHBondContact O-N 3.43Å
25I97.8Very high95.3Very high24 Ų2469.6 Ų69.612%0.12336%0.36CS..Hα-helixtrans-69-43.8173.6-65.8166000110.4K21 L22 N23 E27 A28 F29 Y102 L106K21-I25 WeakPolarHBondContact O-CG1 3.33Å; K21-I25 PolarHBondContact O-N 3.21Å; L22-I25 PolarHBondContact O-N 2.68Å; N23-I25 PolarHBondContact O-N 2.96Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.22Å; I25-A28 WeakPolarHBondContact O-CB 3.4Å; I25-A28 PolarHBondContact O-N 3.14Å; I25-A28 VanDerWaalsContact O-N 3.1Å; I25-F29 HydrophobicContact CG2-CD2 3.8Å; I25-F29 HydrophobicContact CG2-CE2 3.7Å; I25-F29 WeakPolarHBondContact O-CD2 3.43Å; I25-F29 PolarHBondContact O-N 3.48Å; I25-Y102 HydrophobicContact CB-CD1 3.8Å; I25-Y102 HydrophobicContact CB-CE1 4.06Å; I25-Y102 HydrophobicContact CD1-CD1 3.81Å; I25-Y102 HydrophobicContact CG1-CD1 4.41Å; I25-Y102 HydrophobicContact CG2-CD1 3.58Å; I25-Y102 HydrophobicContact CG2-CE1 3.9Å; I25-L106 HydrophobicContact CG2-CD1 4Å
26N98.1Very high95.5Very high9 Ų971.1 Ų71.15%0.04838%0.38CS..Hα-helixtrans-57.6-42.5176.1-76.8-2.6000111.8L22 N23 A28 F29 L30 L45 Y102L22-N26 PolarHBondContact O-N 2.96Å; N23-N26 WeakPolarHBondContact O-CB 3.35Å; N23-N26 PolarHBondContact O-N 2.88Å; N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.01Å; N26-F29 PolarHBondContact O-N 2.91Å; N26-L30 WeakPolarHBondContact O-CG 3.31Å; N26-L30 PolarHBondContact O-N 2.92Å; N26-L45 HydrophobicContact CB-CB 4.36Å; N26-L45 HydrophobicContact CB-CD1 4.31Å; N26-L45 PolarHBondContact ND2-O 2.8Å; N26-Y102 VanDerWaalsContact OD1-CE1 3.28Å; N26-Y102 WeakPolarHBondContact OD1-CE1 3.3Å; N26-Y102 PolarHBondContact OD1-OH 3.31Å
27E97.8Very high95.6Very high128 Ų12877.4 Ų77.460%0.59840%0.404SS*.Hα-helixtrans-60.2-39.7175.2-70.3173.9160.400112.4N23 I25 L30 S31N23-E27 WeakPolarHBondContact O-CG 3.37Å; N23-E27 PolarHBondContact O-N 2.92Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.22Å; E27-L30 PolarHBondContact O-N 3.25Å; E27-S31 PolarHBondContact O-N 2.91Å; E27-S31 PolarHBondContact O-OG 2.96Å
28A97.6Very high95.7Very high47 Ų4775.4 Ų75.439%0.38839%0.394SS..Hα-helixtrans-64.8-40.5174.400000112S24 I25 N26 S31 D32S24-A28 PolarHBondContact O-N 3.43Å; I25-A28 WeakPolarHBondContact O-CB 3.4Å; I25-A28 PolarHBondContact O-N 3.14Å; I25-A28 VanDerWaalsContact O-N 3.1Å; N26-A28 VanDerWaalsContact C-N 3.31Å; N26-A28 PolarHBondContact O-N 3.01Å; A28-S31 PolarHBondContact O-N 2.83Å; A28-S31 PolarHBondContact O-OG 3.24Å; A28-D32 WeakPolarHBondContact O-CB 3.43Å; A28-D32 PolarHBondContact O-N 3.26Å
29F97.3Very high95.8Very high5 Ų581.5 Ų81.52%0.02242%0.423CS..Hα-helixtrans-68.5-34.3175.3-86.8-104.7000112.9I25 N26 S31 D32 Y35 L45 H103 L106 L110I25-F29 HydrophobicContact CG2-CD2 3.8Å; I25-F29 HydrophobicContact CG2-CE2 3.7Å; I25-F29 WeakPolarHBondContact O-CD2 3.43Å; I25-F29 PolarHBondContact O-N 3.48Å; N26-F29 PolarHBondContact O-N 2.91Å; F29-S31 VanDerWaalsContact C-N 3.27Å; F29-S31 PolarHBondContact O-N 3.26Å; F29-D32 PolarHBondContact O-N 3.39Å; F29-Y35 AromaticContact CD1-CD2 3.85Å; F29-Y35 HydrophobicContact CD1-CD2 3.85Å; F29-Y35 HydrophobicContact CD1-CE1 4.4Å; F29-Y35 AromaticContact CD1-CE2 3.4Å; F29-Y35 HydrophobicContact CD1-CE2 3.4Å; F29-Y35 VanDerWaalsContact CD1-CE2 3.4Å; F29-Y35 AromaticContact CD1-CZ 3.71Å; F29-Y35 HydrophobicContact CE1-CE1 4.42Å; F29-Y35 AromaticContact CE1-CE2 3.65Å; F29-Y35 HydrophobicContact CE1-CE2 3.65Å; F29-Y35 AromaticContact CE1-CZ 3.58Å; F29-Y35 WeakPolarHBondContact CE1-OH 3.41Å; F29-Y35 HydrophobicContact CG-CE2 4.38Å; F29-L45 HydrophobicContact CB-CD1 3.95Å; F29-L45 HydrophobicContact CB-CD2 4.08Å; F29-L45 HydrophobicContact CG-CD2 4.4Å; F29-H103 AromaticContact CE2-CE1 3.37Å; F29-H103 WeakPolarHBondContact CE2-CE1 3.25Å; F29-H103 AromaticContact CE2-CG 3.97Å; F29-H103 AromaticContact CE2-ND1 3.26Å; F29-H103 VanDerWaalsContact CE2-ND1 3.26Å; F29-H103 WeakPolarHBondContact CE2-ND1 3.41Å; F29-H103 AromaticContact CZ-ND1 3.59Å; F29-L106 HydrophobicContact CD1-CB 4.33Å; F29-L106 HydrophobicContact CD1-CD1 4.25Å; F29-L106 HydrophobicContact CD2-CD1 3.63Å; F29-L106 HydrophobicContact CE1-CB 3.64Å; F29-L106 HydrophobicContact CE1-CD1 4.17Å; F29-L106 HydrophobicContact CE2-CB 4.11Å; F29-L106 HydrophobicContact CE2-CD1 3.51Å; F29-L106 HydrophobicContact CE2-CG 4.45Å; F29-L106 HydrophobicContact CG-CD1 3.99Å; F29-L106 HydrophobicContact CZ-CB 3.51Å; F29-L106 HydrophobicContact CZ-CD1 3.81Å; F29-L106 HydrophobicContact CZ-CG 4.33Å; F29-L110 HydrophobicContact CD1-CD1 3.89Å; F29-L110 HydrophobicContact CE1-CD1 4.19Å
30L96.8Very high95.9Very high90 Ų9083.5 Ų83.547%0.47144%0.436SS..Hα-helixtrans-67-28.9176.9-76.4170.9000113.1N26 E27 L41 A42 L45N26-L30 WeakPolarHBondContact O-CG 3.31Å; N26-L30 PolarHBondContact O-N 2.92Å; E27-L30 PolarHBondContact O-N 3.25Å; L30-L41 HydrophobicContact CD2-CB 4.46Å; L30-L41 HydrophobicContact CD2-CD2 4.07Å; L30-L41 HydrophobicContact CD2-CG 4.01Å; L30-A42 HydrophobicContact CD2-CB 3.91Å; L30-L45 HydrophobicContact CD2-CD1 3.85Å; L30-L45 HydrophobicContact CG-CD1 3.68Å
31S96.4Very high95.9Very high96 Ų9678.9 Ų78.967%0.67142%0.415SS*.Hα-helixtrans-95.7-5.4-179.951.50000113.7E27 A28 F29E27-S31 PolarHBondContact O-N 2.91Å; E27-S31 PolarHBondContact O-OG 2.96Å; A28-S31 PolarHBondContact O-N 2.83Å; A28-S31 PolarHBondContact O-OG 3.24Å; F29-S31 VanDerWaalsContact C-N 3.27Å; F29-S31 PolarHBondContact O-N 3.26Å
32D96.6Very high95.9Very high71 Ų7176.1 Ų76.138%0.3841%0.414SS..  trans-81.8118.5179.7-177.3-10.8000110.9A28 F29 K34 Y35A28-D32 WeakPolarHBondContact O-CB 3.43Å; A28-D32 PolarHBondContact O-N 3.26Å; F29-D32 PolarHBondContact O-N 3.39Å; D32-K34 PolarHBondContact O-N 3.47Å; D32-K34 WeakPolarHBondContact OD1-CB 3.41Å; D32-K34 PolarHBondContact OD1-N 2.9Å; D32-Y35 HydrophobicContact CB-CD2 4.02Å; D32-Y35 HydrophobicContact CB-CE2 4.47Å; D32-Y35 PolarHBondContact O-N 3.45Å
33E95.5Very high95.9Very high179 Ų17980.3 Ų80.384%0.83644%0.44SS*.G310 helixtrans-54.2-26.6179.2-66.6-175.5170.400113Y35 A36E33-Y35 PolarHBondContact O-N 2.66Å; E33-Y35 VanDerWaalsContact O-N 3.16Å; E33-A36 WeakPolarHBondContact O-CB 3.39Å; E33-A36 PolarHBondContact O-N 3.36Å
34K95Very high95.8Very high137 Ų13780.4 Ų80.460%0.59644%0.438SS*.G310 helixtrans-57.4-28.7176.2-178.7-176.5169.4-161.40113.1D32 N107D32-K34 PolarHBondContact O-N 3.47Å; D32-K34 WeakPolarHBondContact OD1-CB 3.41Å; D32-K34 PolarHBondContact OD1-N 2.9Å; K34-N107 PolarHBondContact NZ-OD1 2.92Å
35Y94.4Very high95.7Very high15 Ų1577.1 Ų77.16%0.05941%0.414CS..G310 helixtrans-110.510-177.4-55-78.3000113F29 D32 E33 E37 E38 N107 L110F29-Y35 AromaticContact CD1-CD2 3.85Å; F29-Y35 HydrophobicContact CD1-CD2 3.85Å; F29-Y35 HydrophobicContact CD1-CE1 4.4Å; F29-Y35 AromaticContact CD1-CE2 3.4Å; F29-Y35 HydrophobicContact CD1-CE2 3.4Å; F29-Y35 VanDerWaalsContact CD1-CE2 3.4Å; F29-Y35 AromaticContact CD1-CZ 3.71Å; F29-Y35 HydrophobicContact CE1-CE1 4.42Å; F29-Y35 AromaticContact CE1-CE2 3.65Å; F29-Y35 HydrophobicContact CE1-CE2 3.65Å; F29-Y35 AromaticContact CE1-CZ 3.58Å; F29-Y35 WeakPolarHBondContact CE1-OH 3.41Å; F29-Y35 HydrophobicContact CG-CE2 4.38Å; D32-Y35 HydrophobicContact CB-CD2 4.02Å; D32-Y35 HydrophobicContact CB-CE2 4.47Å; D32-Y35 PolarHBondContact O-N 3.45Å; E33-Y35 PolarHBondContact O-N 2.66Å; E33-Y35 VanDerWaalsContact O-N 3.16Å; Y35-E37 PolarHBondContact O-N 3.46Å; Y35-E38 VanDerWaalsContact O-CB 3.27Å; Y35-E38 WeakPolarHBondContact O-CB 3.41Å; Y35-E38 PolarHBondContact O-N 3.23Å; Y35-N107 PolarHBondContact OH-OD1 3.05Å; Y35-L110 HydrophobicContact CD1-CB 4.24Å; Y35-L110 HydrophobicContact CD1-CD1 3.91Å; Y35-L110 HydrophobicContact CE1-CB 3.83Å; Y35-L110 HydrophobicContact CE1-CD1 3.8Å; Y35-L110 HydrophobicContact CE1-CG 4.47Å
36A92.6Very high95.6Very high74 Ų7479 Ų7961%0.61242%0.423SS*.THydrogen-bonded Turntrans-58.5-32.2-177.100000113.5E33E33-A36 WeakPolarHBondContact O-CB 3.39Å; E33-A36 PolarHBondContact O-N 3.36Å
37E92.9Very high95.4Very high184 Ų18482.6 Ų82.686%0.8644%0.44SS*.THydrogen-bonded Turntrans-88.81179-57-61.8142.100113.3Y35 E39Y35-E37 PolarHBondContact O-N 3.46Å; E37-E39 PolarHBondContact O-N 3.38Å
38E93.5Very high95.3Very high64 Ų6476.9 Ų76.930%0.29941%0.413SS..  trans-78.6108.8179.5-171.572.5-144.600110.1Y35 L41 K44 L110Y35-E38 VanDerWaalsContact O-CB 3.27Å; Y35-E38 WeakPolarHBondContact O-CB 3.41Å; Y35-E38 PolarHBondContact O-N 3.23Å; E38-L41 HydrophobicContact CB-CB 4.27Å; E38-L41 HydrophobicContact CB-CD1 4.26Å; E38-L41 HydrophobicContact CG-CB 4.36Å; E38-L41 HydrophobicContact CG-CD1 4.02Å; E38-L41 WeakPolarHBondContact O-CB 3.46Å; E38-L41 PolarHBondContact O-N 2.83Å; E38-K44 HydrophobicContact CG-CD 4.36Å; E38-K44 IonicContact OE1-NZ 2.69Å; E38-K44 PolarHBondContact OE1-NZ 3.41Å; E38-L110 HydrophobicContact CG-CD2 4.07Å
39E93.4Very high95.2Very high153 Ų15374.8 Ų74.872%0.71540%0.396SS*.THydrogen-bonded Turntrans-59140.4176.5-65.8-177.3170.600111.6E37 L41 K44E37-E39 PolarHBondContact O-N 3.38Å; E39-L41 PolarHBondContact O-N 3.13Å; E39-L41 VanDerWaalsContact O-N 3.13Å; E39-K44 VanDerWaalsContact O-CE 3.28Å; E39-K44 WeakPolarHBondContact O-CE 3.35Å; E39-K44 PolarHBondContact O-NZ 3.32Å
40D94.8Very high95Very high117 Ų11780.8 Ų80.863%0.62642%0.421SS*.THydrogen-bonded Turntrans52.930.6178.9-60.2-42.2000114.4A42 T43 K44D40-A42 VanDerWaalsContact C-N 3.3Å; D40-A42 PolarHBondContact O-N 3Å; D40-T43 PolarHBondContact O-N 2.92Å; D40-K44 PolarHBondContact O-N 3.43Å
41L95.9Very high94.8Very high15 Ų1576.9 Ų76.98%0.07940%0.401CS..Hα-helixtrans-51.7-46.4-175.9179.561.6000112.7L30 E38 E39 T43 K44 L45 L110L30-L41 HydrophobicContact CD2-CB 4.46Å; L30-L41 HydrophobicContact CD2-CD2 4.07Å; L30-L41 HydrophobicContact CD2-CG 4.01Å; E38-L41 HydrophobicContact CB-CB 4.27Å; E38-L41 HydrophobicContact CB-CD1 4.26Å; E38-L41 HydrophobicContact CG-CB 4.36Å; E38-L41 HydrophobicContact CG-CD1 4.02Å; E38-L41 WeakPolarHBondContact O-CB 3.46Å; E38-L41 PolarHBondContact O-N 2.83Å; E39-L41 PolarHBondContact O-N 3.13Å; E39-L41 VanDerWaalsContact O-N 3.13Å; L41-T43 PolarHBondContact O-N 3.4Å; L41-K44 PolarHBondContact O-N 3.07Å; L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CD2 4.29Å; L41-L45 HydrophobicContact CD1-CG 3.87Å; L41-L45 HydrophobicContact CG-CD1 3.84Å; L41-L45 HydrophobicContact CG-CG 4.18Å; L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 2.82Å; L41-L110 HydrophobicContact CD1-CD1 3.9Å; L41-L110 HydrophobicContact CD1-CD2 3.94Å
42A96.1Very high94.7Very high58 Ų5872.3 Ų72.348%0.47937%0.369SS..Hα-helixtrans-58.5-45.8178.800000112.5L30 D40 L45 E46L30-A42 HydrophobicContact CD2-CB 3.91Å; D40-A42 VanDerWaalsContact C-N 3.3Å; D40-A42 PolarHBondContact O-N 3Å; A42-L45 PolarHBondContact O-N 3.27Å; A42-E46 WeakPolarHBondContact O-CB 3.34Å; A42-E46 PolarHBondContact O-N 3.38Å; A42-E46 VanDerWaalsContact O-N 3.07Å
43T95.4Very high94.5Very high96 Ų9670.9 Ų70.959%0.58936%0.36SS*.Hα-helixtrans-64.4-42.9177.5-540000111.2D40 L41 E46 M47D40-T43 PolarHBondContact O-N 2.92Å; L41-T43 PolarHBondContact O-N 3.4Å; T43-E46 PolarHBondContact O-N 2.92Å; T43-M47 WeakPolarHBondContact O-CB 3.28Å; T43-M47 PolarHBondContact O-N 2.98Å
44K95.1Very high94.2Very high55 Ų5565.6 Ų65.624%0.23934%0.336CS..Hα-helixtrans-61.8-48.5176.7-75.3172177.8162.80111.8E38 E39 D40 L41 E46 M47 F48 L110E38-K44 HydrophobicContact CG-CD 4.36Å; E38-K44 IonicContact OE1-NZ 2.69Å; E38-K44 PolarHBondContact OE1-NZ 3.41Å; E39-K44 VanDerWaalsContact O-CE 3.28Å; E39-K44 WeakPolarHBondContact O-CE 3.35Å; E39-K44 PolarHBondContact O-NZ 3.32Å; D40-K44 PolarHBondContact O-N 3.43Å; L41-K44 PolarHBondContact O-N 3.07Å; K44-E46 VanDerWaalsContact C-N 3.26Å; K44-E46 PolarHBondContact O-N 2.94Å; K44-M47 HydrophobicContact CG-CE 4.5Å; K44-M47 WeakPolarHBondContact O-CB 3.27Å; K44-M47 PolarHBondContact O-N 3.31Å; K44-F48 HydrophobicContact CB-CD2 4.35Å; K44-F48 HydrophobicContact CB-CE2 3.82Å; K44-F48 HydrophobicContact CB-CZ 4.23Å; K44-F48 WeakPolarHBondContact O-CB 3.24Å; K44-F48 WeakPolarHBondContact O-CD2 3.45Å; K44-F48 WeakPolarHBondContact O-CG 3.41Å; K44-F48 PolarHBondContact O-N 3.19Å; K44-L110 HydrophobicContact CD-CD2 4.47Å
45L96.8Very high94Very high2 Ų259.3 Ų59.31%0.0131%0.308CS..Hα-helixtrans-58.9-39.2178.1-72.4175.1000111.6N26 F29 L30 L41 A42 F48 K49 Y102 L106 L110N26-L45 HydrophobicContact CB-CB 4.36Å; N26-L45 HydrophobicContact CB-CD1 4.31Å; N26-L45 PolarHBondContact ND2-O 2.8Å; F29-L45 HydrophobicContact CB-CD1 3.95Å; F29-L45 HydrophobicContact CB-CD2 4.08Å; F29-L45 HydrophobicContact CG-CD2 4.4Å; L30-L45 HydrophobicContact CD2-CD1 3.85Å; L30-L45 HydrophobicContact CG-CD1 3.68Å; L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CD2 4.29Å; L41-L45 HydrophobicContact CD1-CG 3.87Å; L41-L45 HydrophobicContact CG-CD1 3.84Å; L41-L45 HydrophobicContact CG-CG 4.18Å; L41-L45 WeakPolarHBondContact O-CB 3.33Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 2.82Å; A42-L45 PolarHBondContact O-N 3.27Å; L45-F48 PolarHBondContact O-N 2.71Å; L45-K49 WeakPolarHBondContact O-CB 3.44Å; L45-K49 PolarHBondContact O-N 2.9Å; L45-Y102 PolarHBondContact O-OH 3.04Å; L45-L106 HydrophobicContact CD2-CD1 3.82Å; L45-L106 HydrophobicContact CD2-CD2 3.73Å; L45-L106 HydrophobicContact CD2-CG 4.35Å; L45-L110 HydrophobicContact CD2-CD1 4.14Å
46E95.8Very high93.8Very high65 Ų6562.3 Ų62.330%0.30433%0.326SS..Hα-helixtrans-72.6-36.5179.7-164.257.9-172.400113A42 T43 K44 K49 K50A42-E46 WeakPolarHBondContact O-CB 3.34Å; A42-E46 PolarHBondContact O-N 3.38Å; A42-E46 VanDerWaalsContact O-N 3.07Å; T43-E46 PolarHBondContact O-N 2.92Å; K44-E46 VanDerWaalsContact C-N 3.26Å; K44-E46 PolarHBondContact O-N 2.94Å; E46-K49 VanDerWaalsContact CD-CE 3.4Å; E46-K49 VanDerWaalsContact CD-NZ 3.33Å; E46-K49 WeakPolarHBondContact OE1-CE 3.49Å; E46-K49 IonicContact OE1-NZ 2.71Å; E46-K49 PolarHBondContact OE1-NZ 3.35Å; E46-K49 WeakPolarHBondContact OE2-CE 3.13Å; E46-K49 IonicContact OE2-NZ 3.19Å; E46-K49 PolarHBondContact OE2-NZ 3.18Å; E46-K50 WeakPolarHBondContact O-CG 3.09Å; E46-K50 PolarHBondContact O-N 3.5Å; E46-K50 VanDerWaalsContact O-N 3.1Å
47M94.3Very high93.6Very high84 Ų8459.8 Ų59.841%0.41430%0.302SS..Hα-helixtrans-64.2-43.3170.5-178.2178.153.100111.7T43 K44 K51 M126T43-M47 WeakPolarHBondContact O-CB 3.28Å; T43-M47 PolarHBondContact O-N 2.98Å; K44-M47 HydrophobicContact CG-CE 4.5Å; K44-M47 WeakPolarHBondContact O-CB 3.27Å; K44-M47 PolarHBondContact O-N 3.31Å; M47-K51 WeakPolarHBondContact O-CB 3.19Å; M47-K51 PolarHBondContact O-N 3.03Å; M47-M126 HydrophobicContact CE-CE 3.15Å; M47-M126 HydrophobicContact CG-CE 3.53Å; M47-M126 HydrophobicContact SD-CE 3.28Å; M47-M126 WeakPolarHBondContact SD-CE 3.42Å
48F95.5Very high93.5Very high7 Ų752.7 Ų52.73%0.03127%0.269CS..Hα-helixtrans-66.3-40.2176.7-64.8-29.4000112.3K44 L45 K51 Y52 F105 L106 M109 L110 M126K44-F48 HydrophobicContact CB-CD2 4.35Å; K44-F48 HydrophobicContact CB-CE2 3.82Å; K44-F48 HydrophobicContact CB-CZ 4.23Å; K44-F48 WeakPolarHBondContact O-CB 3.24Å; K44-F48 WeakPolarHBondContact O-CD2 3.45Å; K44-F48 WeakPolarHBondContact O-CG 3.41Å; K44-F48 PolarHBondContact O-N 3.19Å; L45-F48 PolarHBondContact O-N 2.71Å; F48-K51 PolarHBondContact O-N 2.81Å; F48-Y52 WeakPolarHBondContact O-CB 3.5Å; F48-Y52 PolarHBondContact O-N 2.98Å; F48-F105 HydrophobicContact CB-CE1 3.95Å; F48-F105 HydrophobicContact CG-CE1 4.47Å; F48-L106 HydrophobicContact CB-CD2 3.72Å; F48-L106 HydrophobicContact CD2-CD2 3.84Å; F48-L106 HydrophobicContact CG-CD2 4.2Å; F48-M109 HydrophobicContact CD1-CB 4.14Å; F48-M109 HydrophobicContact CD1-CE 3.79Å; F48-M109 HydrophobicContact CD1-CG 4.08Å; F48-M109 HydrophobicContact CD2-CB 4.03Å; F48-M109 HydrophobicContact CE1-CB 3.83Å; F48-M109 HydrophobicContact CE1-CE 3.28Å; F48-M109 HydrophobicContact CE1-CG 4.09Å; F48-M109 HydrophobicContact CE2-CB 3.71Å; F48-M109 HydrophobicContact CG-CB 4.26Å; F48-M109 HydrophobicContact CG-CG 4.4Å; F48-M109 HydrophobicContact CZ-CB 3.63Å; F48-M109 HydrophobicContact CZ-CE 4.06Å; F48-M109 HydrophobicContact CZ-CG 4.39Å; F48-L110 HydrophobicContact CE2-CD2 3.74Å; F48-L110 HydrophobicContact CE2-CG 4.09Å; F48-M126 HydrophobicContact CD1-CE 3.64Å; F48-M126 HydrophobicContact CD1-SD 4.39Å; F48-M126 HydrophobicContact CE1-CE 3.36Å; F48-M126 HydrophobicContact CE1-SD 4.1Å
49K95.8Very high93Very high4 Ų457.6 Ų57.62%0.01730%0.298CS..Hα-helixtrans-57.1-54174.1-174.3-17370.3173.70111.1E19 L22 N23 L45 E46 K51 Y52 M53 Y102E19-K49 HydrophobicContact CG-CD 4.35Å; E19-K49 IonicContact OE1-NZ 2.9Å; E19-K49 PolarHBondContact OE1-NZ 3.07Å; L22-K49 HydrophobicContact CB-CD 3.98Å; L22-K49 HydrophobicContact CB-CG 3.76Å; L22-K49 HydrophobicContact CD1-CG 3.75Å; L22-K49 HydrophobicContact CG-CG 4.42Å; N23-K49 WeakPolarHBondContact OD1-CD 3.5Å; N23-K49 PolarHBondContact OD1-NZ 3.23Å; L45-K49 WeakPolarHBondContact O-CB 3.44Å; L45-K49 PolarHBondContact O-N 2.9Å; E46-K49 VanDerWaalsContact CD-CE 3.4Å; E46-K49 VanDerWaalsContact CD-NZ 3.33Å; E46-K49 WeakPolarHBondContact OE1-CE 3.49Å; E46-K49 IonicContact OE1-NZ 2.71Å; E46-K49 PolarHBondContact OE1-NZ 3.35Å; E46-K49 WeakPolarHBondContact OE2-CE 3.13Å; E46-K49 IonicContact OE2-NZ 3.19Å; E46-K49 PolarHBondContact OE2-NZ 3.18Å; K49-K51 VanDerWaalsContact C-N 3.26Å; K49-K51 PolarHBondContact O-N 3.07Å; K49-Y52 PolarHBondContact O-N 3.13Å; K49-Y52 VanDerWaalsContact O-N 3.14Å; K49-M53 HydrophobicContact CG-SD 4.42Å; K49-M53 WeakPolarHBondContact O-CG 3.45Å; K49-M53 PolarHBondContact O-N 2.85Å; K49-Y102 WeakPolarHBondContact CA-OH 3.4Å; K49-Y102 WeakPolarHBondContact CB-OH 3.28Å; K49-Y102 PolarHBondContact N-OH 3.43Å
50K93Very high92.7Very high130 Ų13057.8 Ų57.857%0.56530%0.296SS*.Hα-helixtrans-55.4-45.7177.7-75173.1178.81750110.7E46 Y52 M53 E54E46-K50 WeakPolarHBondContact O-CG 3.09Å; E46-K50 PolarHBondContact O-N 3.5Å; E46-K50 VanDerWaalsContact O-N 3.1Å; K50-Y52 PolarHBondContact O-N 3.19Å; K50-M53 PolarHBondContact O-N 2.91Å; K50-E54 PolarHBondContact O-N 2.95Å
51K91.6Very high92.5Very high9 Ų952.9 Ų52.94%0.03927%0.273CS..Hα-helixtrans-64.3-41.3179-167.359.1176.1-179.20112.6M47 F48 K49 M53 E54 F55 G125M47-K51 WeakPolarHBondContact O-CB 3.19Å; M47-K51 PolarHBondContact O-N 3.03Å; F48-K51 PolarHBondContact O-N 2.81Å; K49-K51 VanDerWaalsContact C-N 3.26Å; K49-K51 PolarHBondContact O-N 3.07Å; K51-M53 VanDerWaalsContact C-N 3.33Å; K51-M53 PolarHBondContact O-N 3.34Å; K51-E54 IonicContact NZ-OE1 3.52Å; K51-E54 IonicContact NZ-OE2 2.67Å; K51-E54 PolarHBondContact NZ-OE2 3.45Å; K51-E54 WeakPolarHBondContact O-CB 3.18Å; K51-E54 PolarHBondContact O-N 3.21Å; K51-F55 HydrophobicContact CG-CE2 4.48Å; K51-F55 VanDerWaalsContact O-CD2 3.23Å; K51-F55 WeakPolarHBondContact O-CD2 3.31Å; K51-F55 WeakPolarHBondContact O-CE2 3.33Å; K51-G125 PolarHBondContact NZ-O 3.48Å; K51-G125 VanDerWaalsContact NZ-O 3.11Å
52Y94.2Very high92.4Very high0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-64.1-38.2178.3-169.7-95000111.8L22 F48 K49 K50 E54 F55 L57 G61 D62 I63 I100 Y102 F105L22-Y52 HydrophobicContact CD1-CD1 4.04Å; L22-Y52 HydrophobicContact CD2-CD1 4.05Å; L22-Y52 HydrophobicContact CD2-CE1 4.13Å; F48-Y52 WeakPolarHBondContact O-CB 3.5Å; F48-Y52 PolarHBondContact O-N 2.98Å; K49-Y52 PolarHBondContact O-N 3.13Å; K49-Y52 VanDerWaalsContact O-N 3.14Å; K50-Y52 PolarHBondContact O-N 3.19Å; Y52-E54 PolarHBondContact O-N 2.85Å; Y52-F55 WeakPolarHBondContact O-CB 3.19Å; Y52-F55 WeakPolarHBondContact O-CD2 2.96Å; Y52-F55 PolarHBondContact O-N 3.46Å; Y52-F55 VanDerWaalsContact O-N 3.12Å; Y52-L57 HydrophobicContact CD1-CD1 4.07Å; Y52-L57 HydrophobicContact CD1-CD2 4.17Å; Y52-L57 HydrophobicContact CE1-CD1 3.75Å; Y52-L57 HydrophobicContact CE1-CD2 3.63Å; Y52-L57 HydrophobicContact CE1-CG 4.37Å; Y52-G61 WeakPolarHBondContact CE1-O 3.44Å; Y52-G61 PolarHBondContact OH-O 3.03Å; Y52-D62 WeakPolarHBondContact OH-CA 3.24Å; Y52-I63 HydrophobicContact CD2-CD1 3.7Å; Y52-I63 HydrophobicContact CD2-CG1 4.35Å; Y52-I63 HydrophobicContact CE2-CD1 3.35Å; Y52-I63 HydrophobicContact CE2-CG1 3.69Å; Y52-I100 PolarHBondContact OH-O 3.49Å; Y52-Y102 AromaticContact CD1-CD2 3.68Å; Y52-Y102 HydrophobicContact CD1-CD2 3.68Å; Y52-Y102 HydrophobicContact CD1-CE2 4.34Å; Y52-Y102 HydrophobicContact CD1-CG 4.38Å; Y52-Y102 AromaticContact CD2-CD2 3.72Å; Y52-Y102 HydrophobicContact CD2-CD2 3.72Å; Y52-Y102 HydrophobicContact CD2-CE2 4.41Å; Y52-Y102 HydrophobicContact CE1-CD2 4.09Å; Y52-Y102 HydrophobicContact CE1-CG 4.42Å; Y52-Y102 HydrophobicContact CE2-CD2 4.1Å; Y52-Y102 AromaticContact CG-CD2 3.49Å; Y52-Y102 HydrophobicContact CG-CD2 3.49Å; Y52-Y102 VanDerWaalsContact CG-CD2 3.49Å; Y52-Y102 AromaticContact CG-CE2 3.96Å; Y52-Y102 HydrophobicContact CG-CE2 3.96Å; Y52-Y102 PolarHBondContact OH-N 3.18Å; Y52-F105 HydrophobicContact CD2-CB 3.84Å; Y52-F105 AromaticContact CD2-CD1 3.79Å; Y52-F105 HydrophobicContact CD2-CD1 3.79Å; Y52-F105 AromaticContact CD2-CD2 3.95Å; Y52-F105 HydrophobicContact CD2-CD2 3.95Å; Y52-F105 HydrophobicContact CD2-CE1 4.31Å; Y52-F105 HydrophobicContact CD2-CE2 4.45Å; Y52-F105 AromaticContact CD2-CG 3.59Å; Y52-F105 HydrophobicContact CD2-CG 3.59Å; Y52-F105 HydrophobicContact CE2-CB 3.85Å; Y52-F105 HydrophobicContact CE2-CD2 4.44Å; Y52-F105 HydrophobicContact CE2-CG 4.08Å; Y52-F105 HydrophobicContact CG-CD1 4.46Å
53M92.3Very high92.3Very high40 Ų4050.8 Ų50.820%0.19725%0.254CS..Hα-helixtrans-68.1-17.9176.3-70.2-175.972.800114.3K15 E19 L22 K49 K50 K51 F55K15-M53 HydrophobicContact CD-CE 4.41Å; E19-M53 HydrophobicContact CB-CE 3.86Å; E19-M53 HydrophobicContact CB-SD 4.02Å; E19-M53 HydrophobicContact CG-CE 4.46Å; E19-M53 HydrophobicContact CG-SD 4.12Å; L22-M53 HydrophobicContact CD1-CG 3.5Å; L22-M53 VanDerWaalsContact CD1-CG 3.5Å; L22-M53 HydrophobicContact CD1-SD 4.11Å; K49-M53 HydrophobicContact CG-SD 4.42Å; K49-M53 WeakPolarHBondContact O-CG 3.45Å; K49-M53 PolarHBondContact O-N 2.85Å; K50-M53 PolarHBondContact O-N 2.91Å; K51-M53 VanDerWaalsContact C-N 3.33Å; K51-M53 PolarHBondContact O-N 3.34Å; M53-F55 VanDerWaalsContact C-N 3.29Å
54E89.9Confident92.3Very high69 Ų6948.7 Ų48.732%0.32224%0.239SC..THydrogen-bonded Turntrans-73.7-19.3172-67.6177.1-161.100113K50 K51 Y52K50-E54 PolarHBondContact O-N 2.95Å; K51-E54 IonicContact NZ-OE1 3.52Å; K51-E54 IonicContact NZ-OE2 2.67Å; K51-E54 PolarHBondContact NZ-OE2 3.45Å; K51-E54 WeakPolarHBondContact O-CB 3.18Å; K51-E54 PolarHBondContact O-N 3.21Å; Y52-E54 PolarHBondContact O-N 2.85Å
55F91.1Very high92.3Very high5 Ų548.1 Ų48.12%0.02224%0.238CC..SBendtrans-70.5151.9175.7-71.3-103.1000110.7K51 Y52 M53 L57 I63 M71 F105 L121K51-F55 HydrophobicContact CG-CE2 4.48Å; K51-F55 VanDerWaalsContact O-CD2 3.23Å; K51-F55 WeakPolarHBondContact O-CD2 3.31Å; K51-F55 WeakPolarHBondContact O-CE2 3.33Å; Y52-F55 WeakPolarHBondContact O-CB 3.19Å; Y52-F55 WeakPolarHBondContact O-CD2 2.96Å; Y52-F55 PolarHBondContact O-N 3.46Å; Y52-F55 VanDerWaalsContact O-N 3.12Å; M53-F55 VanDerWaalsContact C-N 3.29Å; F55-L57 HydrophobicContact CB-CD2 3.89Å; F55-L57 PolarHBondContact O-N 2.9Å; F55-L57 VanDerWaalsContact O-N 3.11Å; F55-I63 HydrophobicContact CB-CD1 4.21Å; F55-I63 HydrophobicContact CB-CG1 3.97Å; F55-I63 HydrophobicContact CD1-CD1 3.64Å; F55-I63 HydrophobicContact CD1-CG1 4.02Å; F55-I63 HydrophobicContact CD1-CG2 4Å; F55-I63 HydrophobicContact CD2-CD1 3.99Å; F55-I63 HydrophobicContact CE1-CD1 3.88Å; F55-I63 HydrophobicContact CE2-CD1 4.22Å; F55-I63 HydrophobicContact CG-CD1 3.69Å; F55-I63 HydrophobicContact CG-CG1 3.99Å; F55-I63 HydrophobicContact CZ-CD1 4.17Å; F55-M71 HydrophobicContact CD1-CB 3.81Å; F55-M71 HydrophobicContact CD1-CG 3.95Å; F55-M71 HydrophobicContact CE1-CB 3.79Å; F55-M71 HydrophobicContact CE1-CG 3.58Å; F55-M71 HydrophobicContact CZ-CG 3.97Å; F55-F105 HydrophobicContact CE2-CE2 4.24Å; F55-F105 HydrophobicContact CZ-CE2 4.39Å; F55-L121 HydrophobicContact CZ-CD1 4.26Å; F55-L121 HydrophobicContact CZ-CD2 3.99Å
56D88.9Confident92.2Very high78 Ų7852.7 Ų52.742%0.41726%0.26SS..  trans-76.895.1167.4-165.311.2000107.8G67 R70D56-G67 WeakPolarHBondContact O-CA 3.36Å; D56-R70 WeakPolarHBondContact OD2-CD 3.3Å; D56-R70 IonicContact OD2-CZ 3.75Å; D56-R70 IonicContact OD2-NE 3.98Å; D56-R70 IonicContact OD2-NH1 2.79Å; D56-R70 PolarHBondContact OD2-NH1 3.32Å
57L89.8Confident92.2Very high21 Ų2149.6 Ų49.611%0.1125%0.246CC..BIsolated β-bridgetrans-84.4143.7-178.1-56-179.6000110.1Y52 F55 I63Y52-L57 HydrophobicContact CD1-CD1 4.07Å; Y52-L57 HydrophobicContact CD1-CD2 4.17Å; Y52-L57 HydrophobicContact CE1-CD1 3.75Å; Y52-L57 HydrophobicContact CE1-CD2 3.63Å; Y52-L57 HydrophobicContact CE1-CG 4.37Å; F55-L57 HydrophobicContact CB-CD2 3.89Å; F55-L57 PolarHBondContact O-N 2.9Å; F55-L57 VanDerWaalsContact O-N 3.11Å; L57-I63 HydrophobicContact CD2-CG1 3.61Å
58N89.1Confident92.2Very high34 Ų3445.6 Ų45.618%0.18223%0.226CC..  trans-72.5178.4171.469.824.4000111.7K60 G61 D62N58-K60 PolarHBondContact O-N 3.23Å; N58-K60 WeakPolarHBondContact OD1-CA 3.45Å; N58-K60 WeakPolarHBondContact OD1-CB 3.41Å; N58-K60 PolarHBondContact OD1-N 2.93Å; N58-G61 PolarHBondContact O-N 2.65Å; N58-G61 PolarHBondContact OD1-N 3.37Å; N58-D62 VanDerWaalsContact CG-O 3.23Å; N58-D62 PolarHBondContact N-O 3.41Å; N58-D62 PolarHBondContact ND2-O 3.21Å; N58-D62 PolarHBondContact OD1-N 2.93Å; N58-D62 PolarHBondContact OD1-O 3.36Å
59D84.6Confident92.2Very high167 Ų16749 Ų4989%0.89324%0.241SC*.THydrogen-bonded Turntrans-60.5-16.9-178.5-60.8-27.9000114.4
60K86.3Confident92.1Very high158 Ų15855.6 Ų55.669%0.68727%0.266SS*.THydrogen-bonded Turntrans-90.8-9.5177-58.5-179-179.4177.90113K21 N58K21-K60 PolarHBondContact NZ-O 2.92Å; K21-K60 VanDerWaalsContact NZ-O 3.15Å; N58-K60 PolarHBondContact O-N 3.23Å; N58-K60 WeakPolarHBondContact OD1-CA 3.45Å; N58-K60 WeakPolarHBondContact OD1-CB 3.41Å; N58-K60 PolarHBondContact OD1-N 2.93Å
61G89.9Confident92Very high13 Ų1349.8 Ų49.813%0.13424%0.241CC..SBendtrans83.919.1-173.400000113.7Y52 N58Y52-G61 WeakPolarHBondContact CE1-O 3.44Å; Y52-G61 PolarHBondContact OH-O 3.03Å; N58-G61 PolarHBondContact O-N 2.65Å; N58-G61 PolarHBondContact OD1-N 3.37Å
62D94.3Very high92.1Very high29 Ų2949.4 Ų49.416%0.15524%0.239CC..  trans-104.5151.9179.9-56.1-41.1000111Y52 N58 D64 T99 S101Y52-D62 WeakPolarHBondContact OH-CA 3.24Å; N58-D62 VanDerWaalsContact CG-O 3.23Å; N58-D62 PolarHBondContact N-O 3.41Å; N58-D62 PolarHBondContact ND2-O 3.21Å; N58-D62 PolarHBondContact OD1-N 2.93Å; N58-D62 PolarHBondContact OD1-O 3.36Å; D62-D64 PolarHBondContact O-N 2.67Å; D62-T99 HydrophobicContact CB-CG2 4.43Å; D62-S101 WeakPolarHBondContact OD1-CA 3.46Å
63I95.4Very high91.9Very high0 Ų053.9 Ų53.90%026%0.26CS..EExtended strand (participates in β ladder)trans-81.5115172.5-56.9166000108Y52 F55 L57 L68 T99 I100 F105Y52-I63 HydrophobicContact CD2-CD1 3.7Å; Y52-I63 HydrophobicContact CD2-CG1 4.35Å; Y52-I63 HydrophobicContact CE2-CD1 3.35Å; Y52-I63 HydrophobicContact CE2-CG1 3.69Å; F55-I63 HydrophobicContact CB-CD1 4.21Å; F55-I63 HydrophobicContact CB-CG1 3.97Å; F55-I63 HydrophobicContact CD1-CD1 3.64Å; F55-I63 HydrophobicContact CD1-CG1 4.02Å; F55-I63 HydrophobicContact CD1-CG2 4Å; F55-I63 HydrophobicContact CD2-CD1 3.99Å; F55-I63 HydrophobicContact CE1-CD1 3.88Å; F55-I63 HydrophobicContact CE2-CD1 4.22Å; F55-I63 HydrophobicContact CG-CD1 3.69Å; F55-I63 HydrophobicContact CG-CG1 3.99Å; F55-I63 HydrophobicContact CZ-CD1 4.17Å; L57-I63 HydrophobicContact CD2-CG1 3.61Å; I63-L68 HydrophobicContact CG2-CB 4.09Å; I63-T99 CarbonylContact O-C 3.55Å; I63-T99 VanDerWaalsContact O-CA 3.31Å; I63-T99 WeakPolarHBondContact O-CA 3.28Å; I63-I100 HydrophobicContact CB-CB 4.26Å; I63-I100 PolarHBondContact N-O 2.97Å; I63-I100 PolarHBondContact O-N 2.88Å; I63-F105 HydrophobicContact CD1-CD2 4.49Å
64D95Very high91.7Very high52 Ų5259.3 Ų59.328%0.27828%0.282SS..EExtended strand (participates in β ladder)trans-90.8179.4169.773.412.6000111.5D62 M66 G67 L68 T99D62-D64 PolarHBondContact O-N 2.67Å; D64-M66 PolarHBondContact O-N 3.32Å; D64-M66 WeakPolarHBondContact OD1-CA 3.35Å; D64-M66 WeakPolarHBondContact OD1-CB 3.47Å; D64-M66 PolarHBondContact OD1-N 3.12Å; D64-G67 PolarHBondContact O-N 3.29Å; D64-G67 PolarHBondContact OD1-N 3.49Å; D64-L68 PolarHBondContact O-N 2.96Å; D64-T99 HydrophobicContact CB-CG2 4.29Å
65M94.9Very high91.5Very high44 Ų4458.1 Ų58.122%0.21728%0.278CS..Hα-helixtrans-61.6-30.1-179.7-175.7146.939.900113.4K69 H81 L84 K85 M88M65-K69 VanDerWaalsContact O-CB 3.25Å; M65-K69 WeakPolarHBondContact O-CB 3.44Å; M65-K69 PolarHBondContact O-N 3.47Å; M65-H81 WeakPolarHBondContact CE-CE1 3.33Å; M65-H81 PolarHBondContact SD-CE1 2.92Å; M65-L84 HydrophobicContact CG-CB 4.18Å; M65-L84 HydrophobicContact CG-CD1 4.37Å; M65-L84 HydrophobicContact SD-CB 4.04Å; M65-K85 HydrophobicContact CE-CG 4.02Å; M65-K85 HydrophobicContact SD-CG 3.68Å; M65-M88 WeakPolarHBondContact CA-SD 3.37Å; M65-M88 HydrophobicContact CB-SD 3.53Å; M65-M88 VanDerWaalsContact CB-SD 3.53Å; M65-M88 HydrophobicContact CG-SD 4.1Å; M65-M88 HydrophobicContact SD-SD 4.46Å
66M95.1Very high91.4Very high98 Ų9861 Ų6148%0.48331%0.309SS..Hα-helixtrans-75.4-40.8178-69.4-59.9-65.200111D64 K69 R70D64-M66 PolarHBondContact O-N 3.32Å; D64-M66 WeakPolarHBondContact OD1-CA 3.35Å; D64-M66 WeakPolarHBondContact OD1-CB 3.47Å; D64-M66 PolarHBondContact OD1-N 3.12Å; M66-K69 PolarHBondContact O-N 2.82Å; M66-R70 WeakPolarHBondContact O-CB 3.36Å; M66-R70 WeakPolarHBondContact O-CG 3.12Å; M66-R70 PolarHBondContact O-N 2.82Å
67G94.4Very high91.5Very high0 Ų059.2 Ų59.20%030%0.299CS..Hα-helixtrans-60.6-44.1173.200000112.1D56 D64 M71D56-G67 WeakPolarHBondContact O-CA 3.36Å; D64-G67 PolarHBondContact O-N 3.29Å; D64-G67 PolarHBondContact OD1-N 3.49Å; G67-M71 WeakPolarHBondContact O-CB 3.32Å; G67-M71 PolarHBondContact O-N 3.38Å; G67-M71 VanDerWaalsContact O-N 3.12Å
68L95.3Very high91.7Very high0 Ų061.8 Ų61.80%032%0.323CS..Hα-helixtrans-63.1-47174.1-179.460.7000111.7I63 D64 R70 M71 L72 L84 M87 M88 L117I63-L68 HydrophobicContact CG2-CB 4.09Å; D64-L68 PolarHBondContact O-N 2.96Å; L68-R70 PolarHBondContact O-N 3.28Å; L68-M71 PolarHBondContact O-N 2.83Å; L68-L72 HydrophobicContact CD1-CD1 4.04Å; L68-L72 HydrophobicContact CD1-CG 4.18Å; L68-L72 HydrophobicContact CG-CD1 4.1Å; L68-L72 WeakPolarHBondContact O-CG 3.28Å; L68-L72 PolarHBondContact O-N 3.14Å; L68-L84 HydrophobicContact CD2-CD2 4.01Å; L68-L84 HydrophobicContact CG-CD2 3.91Å; L68-M87 HydrophobicContact CD2-CB 4.17Å; L68-M88 HydrophobicContact CD2-CG 3.61Å; L68-M88 HydrophobicContact CD2-SD 4.49Å; L68-L117 HydrophobicContact CD1-CD1 3.64Å; L68-L117 HydrophobicContact CD1-CD2 3.99Å; L68-L117 HydrophobicContact CD1-CG 4.46Å
69K95.1Very high91.9Very high79 Ų7963.3 Ų63.334%0.34333%0.328SS..Hα-helixtrans-56.3-52.5178.7179.4-179.8169.9-176.50111.5M65 M66 M71 L72 E73 L84M65-K69 VanDerWaalsContact O-CB 3.25Å; M65-K69 WeakPolarHBondContact O-CB 3.44Å; M65-K69 PolarHBondContact O-N 3.47Å; M66-K69 PolarHBondContact O-N 2.82Å; K69-M71 VanDerWaalsContact C-N 3.29Å; K69-M71 PolarHBondContact O-N 3.47Å; K69-L72 PolarHBondContact O-N 3.33Å; K69-E73 WeakPolarHBondContact CE-OE1 3.15Å; K69-E73 HydrophobicContact CG-CG 4.48Å; K69-E73 IonicContact NZ-OE1 3.79Å; K69-E73 WeakPolarHBondContact O-CG 3.05Å; K69-E73 PolarHBondContact O-N 3.01Å; K69-L84 HydrophobicContact CB-CD1 3.77Å; K69-L84 HydrophobicContact CB-CD2 4.41Å; K69-L84 HydrophobicContact CD-CD1 4.33Å; K69-L84 HydrophobicContact CG-CD1 4.02Å
70R93.8Very high92.5Very high141 Ų14159.1 Ų59.153%0.53231%0.309SS..Hα-helixtrans-59.6-40.5-178.7-75.5176.6171.4-157.2-4.3111.9D56 M66 L68 E73 K74D56-R70 WeakPolarHBondContact OD2-CD 3.3Å; D56-R70 IonicContact OD2-CZ 3.75Å; D56-R70 IonicContact OD2-NE 3.98Å; D56-R70 IonicContact OD2-NH1 2.79Å; D56-R70 PolarHBondContact OD2-NH1 3.32Å; M66-R70 WeakPolarHBondContact O-CB 3.36Å; M66-R70 WeakPolarHBondContact O-CG 3.12Å; M66-R70 PolarHBondContact O-N 2.82Å; L68-R70 PolarHBondContact O-N 3.28Å; R70-E73 PolarHBondContact O-N 3.37Å; R70-K74 WeakPolarHBondContact O-CB 3.13Å; R70-K74 PolarHBondContact O-N 3Å
71M91.3Very high92.9Very high9 Ų956.7 Ų56.74%0.04430%0.3CS..Hα-helixtrans-64.9-45.2178.2179.851.8-159.300111.9F55 G67 L68 K69 K74 L75F55-M71 HydrophobicContact CD1-CB 3.81Å; F55-M71 HydrophobicContact CD1-CG 3.95Å; F55-M71 HydrophobicContact CE1-CB 3.79Å; F55-M71 HydrophobicContact CE1-CG 3.58Å; F55-M71 HydrophobicContact CZ-CG 3.97Å; G67-M71 WeakPolarHBondContact O-CB 3.32Å; G67-M71 PolarHBondContact O-N 3.38Å; G67-M71 VanDerWaalsContact O-N 3.12Å; L68-M71 PolarHBondContact O-N 2.83Å; K69-M71 VanDerWaalsContact C-N 3.29Å; K69-M71 PolarHBondContact O-N 3.47Å; M71-K74 WeakPolarHBondContact O-CB 3.41Å; M71-K74 PolarHBondContact O-N 3.05Å; M71-L75 HydrophobicContact CE-CD1 3.59Å; M71-L75 HydrophobicContact CE-CD2 3.71Å; M71-L75 HydrophobicContact CE-CG 3.52Å; M71-L75 PolarHBondContact O-N 3.25Å; M71-L75 VanDerWaalsContact O-N 3.14Å
72L92.5Very high93.3Very high1 Ų161.2 Ų61.21%0.00532%0.321CS..Hα-helixtrans-66.8-37.5178.6-67.3177.7000112.2L68 K69 K74 L75 G76 L77 K79 L84 M87 I120L68-L72 HydrophobicContact CD1-CD1 4.04Å; L68-L72 HydrophobicContact CD1-CG 4.18Å; L68-L72 HydrophobicContact CG-CD1 4.1Å; L68-L72 WeakPolarHBondContact O-CG 3.28Å; L68-L72 PolarHBondContact O-N 3.14Å; K69-L72 PolarHBondContact O-N 3.33Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 3.35Å; L72-G76 PolarHBondContact O-N 2.74Å; L72-L77 WeakPolarHBondContact CB-O 3.38Å; L72-L77 CarbonylContact O-C 3.44Å; L72-L77 WeakPolarHBondContact O-CA 3.48Å; L72-L77 PolarHBondContact O-N 3.1Å; L72-K79 HydrophobicContact CD1-CB 4.34Å; L72-K79 HydrophobicContact CD1-CG 3.69Å; L72-L84 HydrophobicContact CD1-CD2 3.67Å; L72-M87 HydrophobicContact CD1-CE 3.97Å; L72-M87 HydrophobicContact CD1-SD 4.08Å; L72-M87 HydrophobicContact CD2-CE 4.48Å; L72-I120 HydrophobicContact CD2-CD1 4.01Å; L72-I120 HydrophobicContact CD2-CG2 3.93Å
73E91.9Very high93.4Very high93 Ų9363.6 Ų63.644%0.43533%0.331SS..Hα-helixtrans-61.3-40.7171.5-72.8174165.400111.9K69 R70 L75 G76 A78K69-E73 WeakPolarHBondContact CE-OE1 3.15Å; K69-E73 HydrophobicContact CG-CG 4.48Å; K69-E73 IonicContact NZ-OE1 3.79Å; K69-E73 WeakPolarHBondContact O-CG 3.05Å; K69-E73 PolarHBondContact O-N 3.01Å; R70-E73 PolarHBondContact O-N 3.37Å; E73-L75 PolarHBondContact O-N 2.91Å; E73-G76 PolarHBondContact O-N 2.94Å; E73-A78 HydrophobicContact CG-CB 4.31Å
74K87.4Confident93.4Very high154 Ų15463.9 Ų63.967%0.6733%0.332SS*.Hα-helixtrans-63.1-29.8175.9-171.6-178.7178.2-172.40112.9R70 M71 L72 G76R70-K74 WeakPolarHBondContact O-CB 3.13Å; R70-K74 PolarHBondContact O-N 3Å; M71-K74 WeakPolarHBondContact O-CB 3.41Å; M71-K74 PolarHBondContact O-N 3.05Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 3.23Å; K74-G76 VanDerWaalsContact C-N 3.3Å
75L85.5Confident93.4Very high45 Ų4566.3 Ų66.324%0.23634%0.34CS..THydrogen-bonded Turntrans-81.2-6.5172.9-66.2179.9000113.5M71 L72 E73 L77 I120 E124M71-L75 HydrophobicContact CE-CD1 3.59Å; M71-L75 HydrophobicContact CE-CD2 3.71Å; M71-L75 HydrophobicContact CE-CG 3.52Å; M71-L75 PolarHBondContact O-N 3.25Å; M71-L75 VanDerWaalsContact O-N 3.14Å; L72-L75 PolarHBondContact O-N 3.35Å; E73-L75 PolarHBondContact O-N 2.91Å; L75-L77 VanDerWaalsContact C-N 3.29Å; L75-L77 HydrophobicContact CB-CG 4.43Å; L75-I120 HydrophobicContact CD1-CG2 3.68Å; L75-E124 HydrophobicContact CD1-CB 4.43Å
76G88.8Confident93.4Very high65 Ų6570.6 Ų70.667%0.6736%0.358SS*.THydrogen-bonded Turntrans79.411.2-173.200000113.8L72 E73 K74L72-G76 PolarHBondContact O-N 2.74Å; E73-G76 PolarHBondContact O-N 2.94Å; K74-G76 VanDerWaalsContact C-N 3.3Å
77L91.8Very high93.4Very high41 Ų4166.1 Ų66.122%0.21534%0.335CS..  trans-10554.2-179.8-66.5-172.9000112.1L72 L75 K79 I120 E124L72-L77 WeakPolarHBondContact CB-O 3.38Å; L72-L77 CarbonylContact O-C 3.44Å; L72-L77 WeakPolarHBondContact O-CA 3.48Å; L72-L77 PolarHBondContact O-N 3.1Å; L75-L77 VanDerWaalsContact C-N 3.29Å; L75-L77 HydrophobicContact CB-CG 4.43Å; L77-K79 WeakPolarHBondContact O-CG 3.33Å; L77-K79 PolarHBondContact O-N 2.94Å; L77-I120 HydrophobicContact CD1-CB 4.22Å; L77-I120 HydrophobicContact CD1-CD1 3.87Å; L77-I120 HydrophobicContact CD1-CG1 3.73Å; L77-I120 HydrophobicContact CD1-CG2 3.5Å; L77-E124 VanDerWaalsContact CD1-CD 3.44Å; L77-E124 WeakPolarHBondContact CD1-OE1 3.43Å; L77-E124 WeakPolarHBondContact CD1-OE2 3.34Å; L77-E124 WeakPolarHBondContact CG-OE2 3.21Å
78A92.8Very high93.4Very high74 Ų7466.3 Ų66.361%0.61234%0.336SS*.  trans-54131.9177.900000111.1E73E73-A78 HydrophobicContact CG-CB 4.31Å
79K94.4Very high93.4Very high66 Ų6668.6 Ų68.629%0.28735%0.353SS..  trans-118.4152-178.9-64.9-54.3-178.1-177.80111.5L72 L77 E83 L84 M87L72-K79 HydrophobicContact CD1-CB 4.34Å; L72-K79 HydrophobicContact CD1-CG 3.69Å; L77-K79 WeakPolarHBondContact O-CG 3.33Å; L77-K79 PolarHBondContact O-N 2.94Å; K79-E83 HydrophobicContact CB-CB 4.06Å; K79-L84 HydrophobicContact CB-CD2 3.99Å; K79-L84 HydrophobicContact CB-CG 4.04Å; K79-M87 HydrophobicContact CG-SD 4.4Å
80T97.3Very high93.3Very high80 Ų8068.5 Ų68.549%0.49135%0.354SS..  trans-68.7158.1170.6650000110.9L82 E83 L84T80-L82 PolarHBondContact O-N 3.45Å; T80-E83 WeakPolarHBondContact CB-OE2 3.41Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.34Å; T80-E83 PolarHBondContact N-OE2 3.49Å; T80-E83 PolarHBondContact O-N 3.3Å; T80-E83 VanDerWaalsContact O-N 3.15Å; T80-E83 VanDerWaalsContact OG1-CG 3.28Å; T80-E83 WeakPolarHBondContact OG1-CG 3.41Å; T80-E83 PolarHBondContact OG1-N 2.93Å; T80-E83 PolarHBondContact OG1-OE2 3.13Å; T80-L84 WeakPolarHBondContact O-CG 3.36Å; T80-L84 PolarHBondContact O-N 3.25Å
81H95.3Very high93.3Very high106 Ų10662.5 Ų62.549%0.49133%0.333SS..Hα-helixtrans-57.2-35.9177.3-172.577.1000113.1M65 L84 K85M65-H81 WeakPolarHBondContact CE-CE1 3.33Å; M65-H81 PolarHBondContact SD-CE1 2.92Å; H81-L84 PolarHBondContact O-N 3.26Å; H81-K85 WeakPolarHBondContact NE2-CE 3.44Å; H81-K85 PolarHBondContact NE2-NZ 3.38Å; H81-K85 PolarHBondContact O-N 2.77Å
82L96.4Very high93.4Very high109 Ų10962.6 Ų62.657%0.57134%0.335SS*.Hα-helixtrans-68.6-40.7178.1-17861.1000112T80 K85 K86T80-L82 PolarHBondContact O-N 3.45Å; L82-K85 PolarHBondContact O-N 3.22Å; L82-K86 HydrophobicContact CG-CD 4.5Å; L82-K86 WeakPolarHBondContact O-CG 3.12Å; L82-K86 PolarHBondContact O-N 2.87Å
83E96.5Very high92.9Very high79 Ų7965.7 Ų65.737%0.36937%0.367SS..Hα-helixtrans-63.9-43.6174.7-72.5167.6122.700111.3K79 T80 K85 K86 M87K79-E83 HydrophobicContact CB-CB 4.06Å; T80-E83 WeakPolarHBondContact CB-OE2 3.41Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.34Å; T80-E83 PolarHBondContact N-OE2 3.49Å; T80-E83 PolarHBondContact O-N 3.3Å; T80-E83 VanDerWaalsContact O-N 3.15Å; T80-E83 VanDerWaalsContact OG1-CG 3.28Å; T80-E83 WeakPolarHBondContact OG1-CG 3.41Å; T80-E83 PolarHBondContact OG1-N 2.93Å; T80-E83 PolarHBondContact OG1-OE2 3.13Å; E83-K85 PolarHBondContact O-N 3.24Å; E83-K86 PolarHBondContact O-N 2.69Å; E83-M87 VanDerWaalsContact O-CG 3.28Å; E83-M87 WeakPolarHBondContact O-CG 3.43Å; E83-M87 PolarHBondContact O-N 3.36Å
84L96.3Very high92.1Very high5 Ų562.8 Ų62.83%0.02636%0.361CS..Hα-helixtrans-57.7-49.8175.3-67171.5000111.3M65 L68 K69 L72 K79 T80 H81 K86 M87 M88M65-L84 HydrophobicContact CG-CB 4.18Å; M65-L84 HydrophobicContact CG-CD1 4.37Å; M65-L84 HydrophobicContact SD-CB 4.04Å; L68-L84 HydrophobicContact CD2-CD2 4.01Å; L68-L84 HydrophobicContact CG-CD2 3.91Å; K69-L84 HydrophobicContact CB-CD1 3.77Å; K69-L84 HydrophobicContact CB-CD2 4.41Å; K69-L84 HydrophobicContact CD-CD1 4.33Å; K69-L84 HydrophobicContact CG-CD1 4.02Å; L72-L84 HydrophobicContact CD1-CD2 3.67Å; K79-L84 HydrophobicContact CB-CD2 3.99Å; K79-L84 HydrophobicContact CB-CG 4.04Å; T80-L84 WeakPolarHBondContact O-CG 3.36Å; T80-L84 PolarHBondContact O-N 3.25Å; H81-L84 PolarHBondContact O-N 3.26Å; L84-K86 VanDerWaalsContact C-N 3.3Å; L84-K86 PolarHBondContact O-N 3.11Å; L84-M87 PolarHBondContact O-N 3.02Å; L84-M88 WeakPolarHBondContact O-CG 3.35Å; L84-M88 PolarHBondContact O-N 3.35Å
85K95.1Very high91.2Very high104 Ų10462.2 Ų62.245%0.45237%0.373SS..Hα-helixtrans-57.8-41.5176.3-81.7-172.51661720112.9M65 H81 L82 E83 M88 S89M65-K85 HydrophobicContact CE-CG 4.02Å; M65-K85 HydrophobicContact SD-CG 3.68Å; H81-K85 WeakPolarHBondContact NE2-CE 3.44Å; H81-K85 PolarHBondContact NE2-NZ 3.38Å; H81-K85 PolarHBondContact O-N 2.77Å; L82-K85 PolarHBondContact O-N 3.22Å; E83-K85 PolarHBondContact O-N 3.24Å; K85-M88 PolarHBondContact O-N 2.96Å; K85-S89 WeakPolarHBondContact O-CB 3.41Å; K85-S89 PolarHBondContact O-N 3.44Å
86K94.6Very high90.5Very high134 Ų13462.9 Ų62.958%0.58338%0.382SS*.Hα-helixtrans-63.8-46.4177.1-77.1175.6174.9-1770111.4L82 E83 L84 M88 S89 E90L82-K86 HydrophobicContact CG-CD 4.5Å; L82-K86 WeakPolarHBondContact O-CG 3.12Å; L82-K86 PolarHBondContact O-N 2.87Å; E83-K86 PolarHBondContact O-N 2.69Å; L84-K86 VanDerWaalsContact C-N 3.3Å; L84-K86 PolarHBondContact O-N 3.11Å; K86-M88 VanDerWaalsContact C-N 3.34Å; K86-M88 PolarHBondContact O-N 3.22Å; K86-S89 PolarHBondContact O-N 3.36Å; K86-E90 WeakPolarHBondContact O-CB 3.28Å; K86-E90 PolarHBondContact O-N 3.01Å
87M95.4Very high90.3Very high3 Ų365.1 Ų65.12%0.01537%0.373CS..Hα-helixtrans-61.7-42.2178-68.7172.575.500111.6L68 L72 K79 E83 L84 E90 V91 I116 L117 I120L68-M87 HydrophobicContact CD2-CB 4.17Å; L72-M87 HydrophobicContact CD1-CE 3.97Å; L72-M87 HydrophobicContact CD1-SD 4.08Å; L72-M87 HydrophobicContact CD2-CE 4.48Å; K79-M87 HydrophobicContact CG-SD 4.4Å; E83-M87 VanDerWaalsContact O-CG 3.28Å; E83-M87 WeakPolarHBondContact O-CG 3.43Å; E83-M87 PolarHBondContact O-N 3.36Å; L84-M87 PolarHBondContact O-N 3.02Å; M87-E90 PolarHBondContact O-N 3Å; M87-V91 WeakPolarHBondContact O-CG2 3.23Å; M87-I116 HydrophobicContact CE-CB 4.4Å; M87-I116 HydrophobicContact CE-CG2 4.02Å; M87-I116 HydrophobicContact CG-CB 4.28Å; M87-I116 HydrophobicContact CG-CG2 4.44Å; M87-I116 HydrophobicContact SD-CG2 4.3Å; M87-L117 HydrophobicContact CE-CB 3.77Å; M87-L117 HydrophobicContact CE-CD1 3.99Å; M87-L117 HydrophobicContact CE-CG 4.47Å; M87-I120 HydrophobicContact CE-CD1 3.69Å
88M94.9Very high90.1Very high4 Ų468.4 Ų68.42%0.0239%0.391CS..Hα-helixtrans-63.7-48.3175.3-68-169.47100112.4M65 L68 L84 K85 K86 E90 V91 A92 D98 I100M65-M88 WeakPolarHBondContact CA-SD 3.37Å; M65-M88 HydrophobicContact CB-SD 3.53Å; M65-M88 VanDerWaalsContact CB-SD 3.53Å; M65-M88 HydrophobicContact CG-SD 4.1Å; M65-M88 HydrophobicContact SD-SD 4.46Å; L68-M88 HydrophobicContact CD2-CG 3.61Å; L68-M88 HydrophobicContact CD2-SD 4.49Å; L84-M88 WeakPolarHBondContact O-CG 3.35Å; L84-M88 PolarHBondContact O-N 3.35Å; K85-M88 PolarHBondContact O-N 2.96Å; K86-M88 VanDerWaalsContact C-N 3.34Å; K86-M88 PolarHBondContact O-N 3.22Å; M88-E90 PolarHBondContact O-N 3.21Å; M88-V91 PolarHBondContact O-N 3.47Å; M88-V91 VanDerWaalsContact O-N 3.13Å; M88-A92 VanDerWaalsContact O-CB 3.3Å; M88-A92 WeakPolarHBondContact O-CB 3.48Å; M88-A92 PolarHBondContact O-N 3.47Å; M88-D98 WeakPolarHBondContact CE-O 3.47Å; M88-I100 HydrophobicContact CG-CD1 4.41Å
89S93.8Very high90.2Very high49 Ų4966.6 Ų66.634%0.34337%0.372SS..Hα-helixtrans-66.3-21.8-179.5175.80000113.9K85 K86 K97K85-S89 WeakPolarHBondContact O-CB 3.41Å; K85-S89 PolarHBondContact O-N 3.44Å; K86-S89 PolarHBondContact O-N 3.36Å; S89-K97 WeakPolarHBondContact OG-CD 3.38Å
90E94Very high90.3Very high77 Ų7763.4 Ų63.436%0.3636%0.359SS..Hα-helixtrans-74-30.9175.6-179.4173.6-150.200111.8K86 M87 M88 A115 I116K86-E90 WeakPolarHBondContact O-CB 3.28Å; K86-E90 PolarHBondContact O-N 3.01Å; M87-E90 PolarHBondContact O-N 3Å; M88-E90 PolarHBondContact O-N 3.21Å; E90-A115 HydrophobicContact CG-CB 4.01Å; E90-A115 WeakPolarHBondContact OE1-CA 3.28Å; E90-A115 WeakPolarHBondContact OE2-CA 3.48Å; E90-I116 PolarHBondContact OE2-N 3.34Å
91V94.5Very high90.2Very high15 Ų1561.1 Ų61.19%0.09135%0.346CS..Hα-helixtrans-102.3-42-171178.60000112.4M87 M88 G93 I100 D104 M108 A115M87-V91 WeakPolarHBondContact O-CG2 3.23Å; M88-V91 PolarHBondContact O-N 3.47Å; M88-V91 VanDerWaalsContact O-N 3.13Å; V91-G93 PolarHBondContact O-N 3.46Å; V91-I100 HydrophobicContact CB-CD1 4Å; V91-I100 HydrophobicContact CB-CG1 4.21Å; V91-I100 HydrophobicContact CG1-CD1 4.02Å; V91-I100 HydrophobicContact CG1-CG1 4.09Å; V91-I100 HydrophobicContact CG1-CG2 3.72Å; V91-D104 HydrophobicContact CG1-CB 4.21Å; V91-M108 HydrophobicContact CB-SD 4.29Å; V91-M108 HydrophobicContact CG1-CB 3.94Å; V91-M108 HydrophobicContact CG1-CG 4.37Å; V91-M108 HydrophobicContact CG1-SD 3.91Å; V91-M108 HydrophobicContact CG2-CG 4.1Å; V91-M108 HydrophobicContact CG2-SD 3.33Å; V91-M108 WeakPolarHBondContact CG2-SD 3.46Å; V91-A115 HydrophobicContact CG2-CB 4.11Å
92A92Very high90.3Very high11 Ų1156.3 Ų56.39%0.09132%0.323CS..  trans-61.7117.8-17700000111.4M88 K97 T99M88-A92 VanDerWaalsContact O-CB 3.3Å; M88-A92 WeakPolarHBondContact O-CB 3.48Å; M88-A92 PolarHBondContact O-N 3.47Å; A92-K97 HydrophobicContact CB-CB 4.4Å; A92-T99 WeakPolarHBondContact CB-O 3.17Å
93G81.7Confident90.3Very high66 Ų6655.1 Ų55.168%0.6832%0.315SS*.  trans-91.6-9.8175.600000113.9V91 D104V91-G93 PolarHBondContact O-N 3.46Å; G93-D104 WeakPolarHBondContact CA-OD1 3.42Å; G93-D104 PolarHBondContact N-OD1 3Å
94G74.9Confident90.3Very high31 Ų3152.4 Ų52.432%0.3230%0.303SS..SBendtrans-74.7168.4179.200000114.7S96G94-S96 VanDerWaalsContact C-N 3.31Å; G94-S96 PolarHBondContact O-N 3.01Å
95P69.1Low90.3Very high142 Ų14252.1 Ų52.192%0.92230%0.301SS*.SBendtrans-65-34.1178.824-31.3000112.7
96S71.6Confident90.4Very high59 Ų5947.2 Ų47.241%0.41328%0.28SS..SBendtrans-93.8118.3168.154.70000109.3G94 D98G94-S96 VanDerWaalsContact C-N 3.31Å; G94-S96 PolarHBondContact O-N 3.01Å; S96-D98 PolarHBondContact O-N 3.48Å; S96-D98 VanDerWaalsContact O-N 3.13Å
97K84Confident90.4Very high112 Ų11243.6 Ų43.649%0.48727%0.267SS..THydrogen-bonded Turntrans-82.824.4177.6-58.2-164.2-177.1-172.60113.4S89 A92S89-K97 WeakPolarHBondContact OG-CD 3.38Å; A92-K97 HydrophobicContact CB-CB 4.4Å
98D88.4Confident90.4Very high110 Ų11044.2 Ų44.259%0.58827%0.27SS*.THydrogen-bonded Turntrans-102-5.4-171-59.7-41.2000112.8M88 S96M88-D98 WeakPolarHBondContact CE-O 3.47Å; S96-D98 PolarHBondContact O-N 3.48Å; S96-D98 VanDerWaalsContact O-N 3.13Å
99T94.6Very high90.4Very high36 Ų3644.2 Ų44.222%0.22127%0.27CS..EExtended strand (participates in β ladder)trans-144.7149.417655.90000110.7D62 I63 D64 A92D62-T99 HydrophobicContact CB-CG2 4.43Å; I63-T99 CarbonylContact O-C 3.55Å; I63-T99 VanDerWaalsContact O-CA 3.31Å; I63-T99 WeakPolarHBondContact O-CA 3.28Å; D64-T99 HydrophobicContact CB-CG2 4.29Å; A92-T99 WeakPolarHBondContact CB-O 3.17Å
100I96Very high90.5Very high0 Ų042.7 Ų42.70%026%0.258CS..EExtended strand (participates in β ladder)trans-107.1117171.8-62.3168.4000107.2Y52 I63 M88 V91 D104 F105 L117Y52-I100 PolarHBondContact OH-O 3.49Å; I63-I100 HydrophobicContact CB-CB 4.26Å; I63-I100 PolarHBondContact N-O 2.97Å; I63-I100 PolarHBondContact O-N 2.88Å; M88-I100 HydrophobicContact CG-CD1 4.41Å; V91-I100 HydrophobicContact CB-CD1 4Å; V91-I100 HydrophobicContact CB-CG1 4.21Å; V91-I100 HydrophobicContact CG1-CD1 4.02Å; V91-I100 HydrophobicContact CG1-CG1 4.09Å; V91-I100 HydrophobicContact CG1-CG2 3.72Å; I100-D104 HydrophobicContact CG2-CB 3.86Å; I100-F105 HydrophobicContact CG2-CB 4.25Å; I100-L117 HydrophobicContact CD1-CD2 3.94Å
101S95.9Very high90.4Very high31 Ų3140.2 Ų40.222%0.21725%0.253CS..  trans-78.4167.2172.869.70000111.4D62 H103 D104 F105D62-S101 WeakPolarHBondContact OD1-CA 3.46Å; S101-H103 VanDerWaalsContact C-N 3.26Å; S101-H103 PolarHBondContact O-N 3.21Å; S101-D104 WeakPolarHBondContact CB-OD2 3.33Å; S101-D104 PolarHBondContact N-OD2 3.33Å; S101-D104 WeakPolarHBondContact O-CB 3.36Å; S101-D104 PolarHBondContact O-N 3.32Å; S101-D104 VanDerWaalsContact O-N 3.14Å; S101-D104 PolarHBondContact OG-N 3.01Å; S101-D104 PolarHBondContact OG-OD2 3.12Å; S101-F105 PolarHBondContact O-N 2.9Å
102Y96.8Very high90.1Very high5 Ų549.6 Ų49.62%0.0229%0.293CS..Hα-helixtrans-62.3-34.3174.4-173.1-126.8000112.7L22 I25 N26 L45 K49 Y52 F105 L106L22-Y102 HydrophobicContact CB-CD1 4.2Å; L22-Y102 HydrophobicContact CB-CE1 3.93Å; L22-Y102 HydrophobicContact CD2-CD1 3.44Å; L22-Y102 VanDerWaalsContact CD2-CD1 3.44Å; L22-Y102 HydrophobicContact CD2-CD2 3.87Å; L22-Y102 HydrophobicContact CD2-CE1 3.98Å; L22-Y102 HydrophobicContact CD2-CE2 4.36Å; L22-Y102 HydrophobicContact CD2-CG 3.38Å; L22-Y102 HydrophobicContact CG-CD1 4.37Å; L22-Y102 HydrophobicContact CG-CE1 4.47Å; I25-Y102 HydrophobicContact CB-CD1 3.8Å; I25-Y102 HydrophobicContact CB-CE1 4.06Å; I25-Y102 HydrophobicContact CD1-CD1 3.81Å; I25-Y102 HydrophobicContact CG1-CD1 4.41Å; I25-Y102 HydrophobicContact CG2-CD1 3.58Å; I25-Y102 HydrophobicContact CG2-CE1 3.9Å; N26-Y102 VanDerWaalsContact OD1-CE1 3.28Å; N26-Y102 WeakPolarHBondContact OD1-CE1 3.3Å; N26-Y102 PolarHBondContact OD1-OH 3.31Å; L45-Y102 PolarHBondContact O-OH 3.04Å; K49-Y102 WeakPolarHBondContact CA-OH 3.4Å; K49-Y102 WeakPolarHBondContact CB-OH 3.28Å; K49-Y102 PolarHBondContact N-OH 3.43Å; Y52-Y102 AromaticContact CD1-CD2 3.68Å; Y52-Y102 HydrophobicContact CD1-CD2 3.68Å; Y52-Y102 HydrophobicContact CD1-CE2 4.34Å; Y52-Y102 HydrophobicContact CD1-CG 4.38Å; Y52-Y102 AromaticContact CD2-CD2 3.72Å; Y52-Y102 HydrophobicContact CD2-CD2 3.72Å; Y52-Y102 HydrophobicContact CD2-CE2 4.41Å; Y52-Y102 HydrophobicContact CE1-CD2 4.09Å; Y52-Y102 HydrophobicContact CE1-CG 4.42Å; Y52-Y102 HydrophobicContact CE2-CD2 4.1Å; Y52-Y102 AromaticContact CG-CD2 3.49Å; Y52-Y102 HydrophobicContact CG-CD2 3.49Å; Y52-Y102 VanDerWaalsContact CG-CD2 3.49Å; Y52-Y102 AromaticContact CG-CE2 3.96Å; Y52-Y102 HydrophobicContact CG-CE2 3.96Å; Y52-Y102 PolarHBondContact OH-N 3.18Å; Y102-F105 HydrophobicContact CD2-CD1 4.25Å; Y102-F105 HydrophobicContact CE2-CD1 4.2Å; Y102-F105 WeakPolarHBondContact O-CB 3.44Å; Y102-F105 PolarHBondContact O-N 3.37Å; Y102-L106 HydrophobicContact CD1-CD1 4.01Å; Y102-L106 HydrophobicContact CD1-CG 4.4Å; Y102-L106 HydrophobicContact CD2-CG 4.33Å; Y102-L106 HydrophobicContact CE1-CD1 3.54Å; Y102-L106 HydrophobicContact CE1-CD2 4.5Å; Y102-L106 HydrophobicContact CE1-CG 4.06Å; Y102-L106 HydrophobicContact CE2-CD1 4.37Å; Y102-L106 HydrophobicContact CE2-CD2 3.98Å; Y102-L106 HydrophobicContact CE2-CG 3.98Å; Y102-L106 WeakPolarHBondContact O-CG 3.47Å; Y102-L106 PolarHBondContact O-N 2.97Å
103H96.2Very high89.9Confident84 Ų8458.2 Ų58.239%0.38932%0.323SS..Hα-helixtrans-61.8-43.7172.6-99.5-86.6000112F29 S101 F105 L106 N107F29-H103 AromaticContact CE2-CE1 3.37Å; F29-H103 WeakPolarHBondContact CE2-CE1 3.25Å; F29-H103 AromaticContact CE2-CG 3.97Å; F29-H103 AromaticContact CE2-ND1 3.26Å; F29-H103 VanDerWaalsContact CE2-ND1 3.26Å; F29-H103 WeakPolarHBondContact CE2-ND1 3.41Å; F29-H103 AromaticContact CZ-ND1 3.59Å; S101-H103 VanDerWaalsContact C-N 3.26Å; S101-H103 PolarHBondContact O-N 3.21Å; H103-F105 VanDerWaalsContact C-N 3.32Å; H103-L106 PolarHBondContact O-N 3.5Å; H103-N107 VanDerWaalsContact O-CB 3.31Å; H103-N107 WeakPolarHBondContact O-CB 3.45Å; H103-N107 PolarHBondContact O-N 3.23Å; H103-N107 PolarHBondContact O-ND2 3.11Å
104D96.3Very high90.3Very high22 Ų2260.4 Ų60.412%0.11832%0.319CS..Hα-helixtrans-62.8-42.8177-61.8-46.6000110.8V91 G93 I100 S101 N107 M108V91-D104 HydrophobicContact CG1-CB 4.21Å; G93-D104 WeakPolarHBondContact CA-OD1 3.42Å; G93-D104 PolarHBondContact N-OD1 3Å; I100-D104 HydrophobicContact CG2-CB 3.86Å; S101-D104 WeakPolarHBondContact CB-OD2 3.33Å; S101-D104 PolarHBondContact N-OD2 3.33Å; S101-D104 WeakPolarHBondContact O-CB 3.36Å; S101-D104 PolarHBondContact O-N 3.32Å; S101-D104 VanDerWaalsContact O-N 3.14Å; S101-D104 PolarHBondContact OG-N 3.01Å; S101-D104 PolarHBondContact OG-OD2 3.12Å; D104-N107 PolarHBondContact O-N 3.46Å; D104-M108 WeakPolarHBondContact O-CB 3.28Å; D104-M108 PolarHBondContact O-N 3.1Å
105F96.5Very high91.2Very high0 Ų059.1 Ų59.10%031%0.306CS..Hα-helixtrans-59.9-50.1177.1-176.9-98.7000112.2F48 Y52 F55 I63 I100 S101 Y102 H103 M108 M109 L121F48-F105 HydrophobicContact CB-CE1 3.95Å; F48-F105 HydrophobicContact CG-CE1 4.47Å; Y52-F105 HydrophobicContact CD2-CB 3.84Å; Y52-F105 AromaticContact CD2-CD1 3.79Å; Y52-F105 HydrophobicContact CD2-CD1 3.79Å; Y52-F105 AromaticContact CD2-CD2 3.95Å; Y52-F105 HydrophobicContact CD2-CD2 3.95Å; Y52-F105 HydrophobicContact CD2-CE1 4.31Å; Y52-F105 HydrophobicContact CD2-CE2 4.45Å; Y52-F105 AromaticContact CD2-CG 3.59Å; Y52-F105 HydrophobicContact CD2-CG 3.59Å; Y52-F105 HydrophobicContact CE2-CB 3.85Å; Y52-F105 HydrophobicContact CE2-CD2 4.44Å; Y52-F105 HydrophobicContact CE2-CG 4.08Å; Y52-F105 HydrophobicContact CG-CD1 4.46Å; F55-F105 HydrophobicContact CE2-CE2 4.24Å; F55-F105 HydrophobicContact CZ-CE2 4.39Å; I63-F105 HydrophobicContact CD1-CD2 4.49Å; I100-F105 HydrophobicContact CG2-CB 4.25Å; S101-F105 PolarHBondContact O-N 2.9Å; Y102-F105 HydrophobicContact CD2-CD1 4.25Å; Y102-F105 HydrophobicContact CE2-CD1 4.2Å; Y102-F105 WeakPolarHBondContact O-CB 3.44Å; Y102-F105 PolarHBondContact O-N 3.37Å; H103-F105 VanDerWaalsContact C-N 3.32Å; F105-M108 HydrophobicContact CD2-CE 3.74Å; F105-M108 HydrophobicContact CE2-CE 3.91Å; F105-M108 WeakPolarHBondContact O-CB 3.33Å; F105-M108 PolarHBondContact O-N 3.36Å; F105-M109 HydrophobicContact CD1-CG 4.26Å; F105-M109 HydrophobicContact CE1-CG 3.93Å; F105-M109 HydrophobicContact CE2-CG 4.37Å; F105-M109 HydrophobicContact CZ-CG 3.98Å; F105-M109 HydrophobicContact CZ-SD 4.43Å; F105-M109 WeakPolarHBondContact O-CG 3.44Å; F105-M109 PolarHBondContact O-N 2.93Å; F105-L121 HydrophobicContact CE2-CD1 3.56Å; F105-L121 HydrophobicContact CZ-CD1 4.06Å
106L96.4Very high92.3Very high0 Ų056.6 Ų56.60%028%0.283CS..Hα-helixtrans-63.5-42.9177.6-70.8-176.7000112I25 F29 L45 F48 Y102 H103 M108 M109 L110I25-L106 HydrophobicContact CG2-CD1 4Å; F29-L106 HydrophobicContact CD1-CB 4.33Å; F29-L106 HydrophobicContact CD1-CD1 4.25Å; F29-L106 HydrophobicContact CD2-CD1 3.63Å; F29-L106 HydrophobicContact CE1-CB 3.64Å; F29-L106 HydrophobicContact CE1-CD1 4.17Å; F29-L106 HydrophobicContact CE2-CB 4.11Å; F29-L106 HydrophobicContact CE2-CD1 3.51Å; F29-L106 HydrophobicContact CE2-CG 4.45Å; F29-L106 HydrophobicContact CG-CD1 3.99Å; F29-L106 HydrophobicContact CZ-CB 3.51Å; F29-L106 HydrophobicContact CZ-CD1 3.81Å; F29-L106 HydrophobicContact CZ-CG 4.33Å; L45-L106 HydrophobicContact CD2-CD1 3.82Å; L45-L106 HydrophobicContact CD2-CD2 3.73Å; L45-L106 HydrophobicContact CD2-CG 4.35Å; F48-L106 HydrophobicContact CB-CD2 3.72Å; F48-L106 HydrophobicContact CD2-CD2 3.84Å; F48-L106 HydrophobicContact CG-CD2 4.2Å; Y102-L106 HydrophobicContact CD1-CD1 4.01Å; Y102-L106 HydrophobicContact CD1-CG 4.4Å; Y102-L106 HydrophobicContact CD2-CG 4.33Å; Y102-L106 HydrophobicContact CE1-CD1 3.54Å; Y102-L106 HydrophobicContact CE1-CD2 4.5Å; Y102-L106 HydrophobicContact CE1-CG 4.06Å; Y102-L106 HydrophobicContact CE2-CD1 4.37Å; Y102-L106 HydrophobicContact CE2-CD2 3.98Å; Y102-L106 HydrophobicContact CE2-CG 3.98Å; Y102-L106 WeakPolarHBondContact O-CG 3.47Å; Y102-L106 PolarHBondContact O-N 2.97Å; H103-L106 PolarHBondContact O-N 3.5Å; L106-M108 VanDerWaalsContact C-N 3.27Å; L106-M108 PolarHBondContact O-N 3.26Å; L106-M109 PolarHBondContact O-N 3.49Å; L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.47Å
107N95.3Very high93.4Very high59 Ų5953.8 Ų53.832%0.31626%0.264SS..Hα-helixtrans-59.9-37.7175-83.6-56.4000112.4K34 Y35 H103 D104 G111K34-N107 PolarHBondContact NZ-OD1 2.92Å; Y35-N107 PolarHBondContact OH-OD1 3.05Å; H103-N107 VanDerWaalsContact O-CB 3.31Å; H103-N107 WeakPolarHBondContact O-CB 3.45Å; H103-N107 PolarHBondContact O-N 3.23Å; H103-N107 PolarHBondContact O-ND2 3.11Å; D104-N107 PolarHBondContact O-N 3.46Å; N107-G111 VanDerWaalsContact O-CA 3.24Å; N107-G111 WeakPolarHBondContact O-CA 3.14Å; N107-G111 PolarHBondContact O-N 3.48Å
108M95.7Very high93.9Very high15 Ų1549.2 Ų49.27%0.07424%0.244CC..Hα-helixtrans-66.1-49.2173.5174.7-166.763.800111.2V91 D104 F105 L106 A115 L117 K118 L121V91-M108 HydrophobicContact CB-SD 4.29Å; V91-M108 HydrophobicContact CG1-CB 3.94Å; V91-M108 HydrophobicContact CG1-CG 4.37Å; V91-M108 HydrophobicContact CG1-SD 3.91Å; V91-M108 HydrophobicContact CG2-CG 4.1Å; V91-M108 HydrophobicContact CG2-SD 3.33Å; V91-M108 WeakPolarHBondContact CG2-SD 3.46Å; D104-M108 WeakPolarHBondContact O-CB 3.28Å; D104-M108 PolarHBondContact O-N 3.1Å; F105-M108 HydrophobicContact CD2-CE 3.74Å; F105-M108 HydrophobicContact CE2-CE 3.91Å; F105-M108 WeakPolarHBondContact O-CB 3.33Å; F105-M108 PolarHBondContact O-N 3.36Å; L106-M108 VanDerWaalsContact C-N 3.27Å; L106-M108 PolarHBondContact O-N 3.26Å; M108-A115 HydrophobicContact CG-CB 3.91Å; M108-A115 HydrophobicContact SD-CB 3.98Å; M108-L117 HydrophobicContact CE-CD2 4.16Å; M108-L117 HydrophobicContact CE-CG 4.11Å; M108-L117 HydrophobicContact SD-CB 3.9Å; M108-L117 HydrophobicContact SD-CD2 4.13Å; M108-L117 HydrophobicContact SD-CG 4.06Å; M108-K118 HydrophobicContact CG-CB 3.94Å; M108-K118 WeakPolarHBondContact O-CD 3.39Å; M108-K118 PolarHBondContact O-NZ 3.3Å; M108-K118 HydrophobicContact SD-CB 4.11Å; M108-L121 HydrophobicContact CE-CD1 4.16Å
109M95.3Very high94.1Very high5 Ų547.2 Ų47.23%0.02523%0.233CC..Hα-helixtrans-68.3-42-174.4-67.4-57.4-7200112.8F48 F105 L106 K118 L121 M122 M126F48-M109 HydrophobicContact CD1-CB 4.14Å; F48-M109 HydrophobicContact CD1-CE 3.79Å; F48-M109 HydrophobicContact CD1-CG 4.08Å; F48-M109 HydrophobicContact CD2-CB 4.03Å; F48-M109 HydrophobicContact CE1-CB 3.83Å; F48-M109 HydrophobicContact CE1-CE 3.28Å; F48-M109 HydrophobicContact CE1-CG 4.09Å; F48-M109 HydrophobicContact CE2-CB 3.71Å; F48-M109 HydrophobicContact CG-CB 4.26Å; F48-M109 HydrophobicContact CG-CG 4.4Å; F48-M109 HydrophobicContact CZ-CB 3.63Å; F48-M109 HydrophobicContact CZ-CE 4.06Å; F48-M109 HydrophobicContact CZ-CG 4.39Å; F105-M109 HydrophobicContact CD1-CG 4.26Å; F105-M109 HydrophobicContact CE1-CG 3.93Å; F105-M109 HydrophobicContact CE2-CG 4.37Å; F105-M109 HydrophobicContact CZ-CG 3.98Å; F105-M109 HydrophobicContact CZ-SD 4.43Å; F105-M109 WeakPolarHBondContact O-CG 3.44Å; F105-M109 PolarHBondContact O-N 2.93Å; L106-M109 PolarHBondContact O-N 3.49Å; M109-K118 WeakPolarHBondContact O-CE 3.39Å; M109-K118 PolarHBondContact O-NZ 2.9Å; M109-K118 HydrophobicContact SD-CB 4.48Å; M109-K118 HydrophobicContact SD-CG 4Å; M109-L121 HydrophobicContact CE-CB 4.43Å; M109-L121 HydrophobicContact SD-CD1 4.29Å; M109-M122 HydrophobicContact CE-CE 3.93Å; M109-M122 HydrophobicContact CE-CG 3.98Å; M109-M126 HydrophobicContact CE-CE 4.28Å; M109-M126 HydrophobicContact CE-SD 3.48Å; M109-M126 WeakPolarHBondContact CE-SD 3.3Å
110L94.8Very high94Very high16 Ų1646.3 Ų46.38%0.08423%0.226CC..Hα-helixtrans-83.6-22.8178.6-62.8171.2000112.8F29 Y35 E38 L41 K44 L45 F48 L106F29-L110 HydrophobicContact CD1-CD1 3.89Å; F29-L110 HydrophobicContact CE1-CD1 4.19Å; Y35-L110 HydrophobicContact CD1-CB 4.24Å; Y35-L110 HydrophobicContact CD1-CD1 3.91Å; Y35-L110 HydrophobicContact CE1-CB 3.83Å; Y35-L110 HydrophobicContact CE1-CD1 3.8Å; Y35-L110 HydrophobicContact CE1-CG 4.47Å; E38-L110 HydrophobicContact CG-CD2 4.07Å; L41-L110 HydrophobicContact CD1-CD1 3.9Å; L41-L110 HydrophobicContact CD1-CD2 3.94Å; K44-L110 HydrophobicContact CD-CD2 4.47Å; L45-L110 HydrophobicContact CD2-CD1 4.14Å; F48-L110 HydrophobicContact CE2-CD2 3.74Å; F48-L110 HydrophobicContact CE2-CG 4.09Å; L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.47Å
111G91.8Very high93.7Very high26 Ų2646.3 Ų46.327%0.26823%0.226SC..SBendtrans-72.1156.2-176.800000113.8N107 R113 K118N107-G111 VanDerWaalsContact O-CA 3.24Å; N107-G111 WeakPolarHBondContact O-CA 3.14Å; N107-G111 PolarHBondContact O-N 3.48Å; G111-R113 PolarHBondContact O-N 3.11Å; G111-K118 PolarHBondContact O-NZ 2.97Å
112K88.6Confident93.3Very high212 Ų21248.5 Ų48.592%0.92223%0.234SC*.SBendtrans-72-13.1178.1-60.5-178.1-178.7179.70114.4
113R89.1Confident92.6Very high192 Ų19256 Ų5673%0.72527%0.267SS*.  trans-76.1130.1179.9-80.5-171.3-85.3128.9-5.9110.7G111 A115G111-R113 PolarHBondContact O-N 3.11Å; R113-A115 PolarHBondContact O-N 2.79Å
114N88.9Confident91.5Very high112 Ų11254.9 Ų54.960%0.59926%0.262SS*.  trans-89.477.8177.4-72-32.5000111L119N114-L119 HydrophobicContact CB-CD2 4.24Å
115A93.9Very high89.9Confident4 Ų454.3 Ų54.33%0.03326%0.262CS..  trans-65146.7171.100000110.8E90 V91 M108 R113 L117 K118 L119E90-A115 HydrophobicContact CG-CB 4.01Å; E90-A115 WeakPolarHBondContact OE1-CA 3.28Å; E90-A115 WeakPolarHBondContact OE2-CA 3.48Å; V91-A115 HydrophobicContact CG2-CB 4.11Å; M108-A115 HydrophobicContact CG-CB 3.91Å; M108-A115 HydrophobicContact SD-CB 3.98Å; R113-A115 PolarHBondContact O-N 2.79Å; A115-L117 PolarHBondContact O-N 2.76Å; A115-K118 HydrophobicContact CB-CB 4.22Å; A115-K118 VanDerWaalsContact O-CB 3.28Å; A115-K118 WeakPolarHBondContact O-CB 3.47Å; A115-K118 PolarHBondContact O-N 3.29Å; A115-L119 PolarHBondContact O-N 2.78Å; A115-L119 VanDerWaalsContact O-N 3.1Å
116I93.3Very high88.2Confident88 Ų8856.7 Ų56.745%0.45127%0.273SS..Hα-helixtrans-58-40.4179.8-60.6177.3000110.4M87 E90 K118 L119 I120M87-I116 HydrophobicContact CE-CB 4.4Å; M87-I116 HydrophobicContact CE-CG2 4.02Å; M87-I116 HydrophobicContact CG-CB 4.28Å; M87-I116 HydrophobicContact CG-CG2 4.44Å; M87-I116 HydrophobicContact SD-CG2 4.3Å; E90-I116 PolarHBondContact OE2-N 3.34Å; I116-K118 VanDerWaalsContact C-N 3.34Å; I116-K118 PolarHBondContact O-N 3.05Å; I116-L119 PolarHBondContact O-N 3.04Å; I116-I120 HydrophobicContact CG2-CD1 3.98Å; I116-I120 WeakPolarHBondContact O-CG1 2.85Å; I116-I120 PolarHBondContact O-N 2.87Å; I116-I120 VanDerWaalsContact O-N 3.11Å
117L93.6Very high86.1Confident1 Ų159.6 Ų59.61%0.00530%0.304CS..Hα-helixtrans-62-40.7177.1-178.255.8000112.1L68 M87 I100 M108 A115 L119 I120 L121L68-L117 HydrophobicContact CD1-CD1 3.64Å; L68-L117 HydrophobicContact CD1-CD2 3.99Å; L68-L117 HydrophobicContact CD1-CG 4.46Å; M87-L117 HydrophobicContact CE-CB 3.77Å; M87-L117 HydrophobicContact CE-CD1 3.99Å; M87-L117 HydrophobicContact CE-CG 4.47Å; I100-L117 HydrophobicContact CD1-CD2 3.94Å; M108-L117 HydrophobicContact CE-CD2 4.16Å; M108-L117 HydrophobicContact CE-CG 4.11Å; M108-L117 HydrophobicContact SD-CB 3.9Å; M108-L117 HydrophobicContact SD-CD2 4.13Å; M108-L117 HydrophobicContact SD-CG 4.06Å; A115-L117 PolarHBondContact O-N 2.76Å; L117-L119 PolarHBondContact O-N 2.93Å; L117-I120 PolarHBondContact O-N 3.07Å; L117-L121 HydrophobicContact CD1-CD1 4Å; L117-L121 HydrophobicContact CD1-CG 4.14Å; L117-L121 HydrophobicContact CG-CD1 3.95Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 3.35Å
118K94.7Very high84.1Confident16 Ų1664 Ų647%0.0732%0.32CS..Hα-helixtrans-58.9-48.7175.9-175.5-175-173.1164.60111.1M108 M109 G111 A115 I116 I120 L121 M122M108-K118 HydrophobicContact CG-CB 3.94Å; M108-K118 WeakPolarHBondContact O-CD 3.39Å; M108-K118 PolarHBondContact O-NZ 3.3Å; M108-K118 HydrophobicContact SD-CB 4.11Å; M109-K118 WeakPolarHBondContact O-CE 3.39Å; M109-K118 PolarHBondContact O-NZ 2.9Å; M109-K118 HydrophobicContact SD-CB 4.48Å; M109-K118 HydrophobicContact SD-CG 4Å; G111-K118 PolarHBondContact O-NZ 2.97Å; A115-K118 HydrophobicContact CB-CB 4.22Å; A115-K118 VanDerWaalsContact O-CB 3.28Å; A115-K118 WeakPolarHBondContact O-CB 3.47Å; A115-K118 PolarHBondContact O-N 3.29Å; I116-K118 VanDerWaalsContact C-N 3.34Å; I116-K118 PolarHBondContact O-N 3.05Å; K118-I120 PolarHBondContact O-N 3.22Å; K118-L121 PolarHBondContact O-N 2.75Å; K118-M122 HydrophobicContact CD-CE 4.28Å; K118-M122 HydrophobicContact CD-SD 4.28Å; K118-M122 VanDerWaalsContact CE-SD 3.57Å; K118-M122 HydrophobicContact CG-CE 4.07Å; K118-M122 HydrophobicContact CG-CG 4.36Å; K118-M122 HydrophobicContact CG-SD 3.89Å; K118-M122 WeakPolarHBondContact O-CB 3.43Å; K118-M122 WeakPolarHBondContact O-CG 2.93Å; K118-M122 PolarHBondContact O-N 2.98Å
119L92.9Very high81.8Confident68 Ų6872.8 Ų72.836%0.35636%0.361SS..Hα-helixtrans-58.8-49.6-179.1-63.4175.2000110.5N114 A115 I116 L117 L121 M122 F123N114-L119 HydrophobicContact CB-CD2 4.24Å; A115-L119 PolarHBondContact O-N 2.78Å; A115-L119 VanDerWaalsContact O-N 3.1Å; I116-L119 PolarHBondContact O-N 3.04Å; L117-L119 PolarHBondContact O-N 2.93Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 2.8Å; L119-M122 PolarHBondContact O-N 3.49Å; L119-F123 HydrophobicContact CB-CD2 4.39Å; L119-F123 HydrophobicContact CD2-CE2 4.2Å; L119-F123 WeakPolarHBondContact O-CD2 3.46Å; L119-F123 PolarHBondContact O-N 2.96Å
120I91.8Very high79.5Confident16 Ų1678.4 Ų78.48%0.08239%0.387CS..Hα-helixtrans-55.9-48.2177.8-70166.3000111.1L72 L75 L77 M87 I116 L117 K118 M122 F123 E124L72-I120 HydrophobicContact CD2-CD1 4.01Å; L72-I120 HydrophobicContact CD2-CG2 3.93Å; L75-I120 HydrophobicContact CD1-CG2 3.68Å; L77-I120 HydrophobicContact CD1-CB 4.22Å; L77-I120 HydrophobicContact CD1-CD1 3.87Å; L77-I120 HydrophobicContact CD1-CG1 3.73Å; L77-I120 HydrophobicContact CD1-CG2 3.5Å; M87-I120 HydrophobicContact CE-CD1 3.69Å; I116-I120 HydrophobicContact CG2-CD1 3.98Å; I116-I120 WeakPolarHBondContact O-CG1 2.85Å; I116-I120 PolarHBondContact O-N 2.87Å; I116-I120 VanDerWaalsContact O-N 3.11Å; L117-I120 PolarHBondContact O-N 3.07Å; K118-I120 PolarHBondContact O-N 3.22Å; I120-M122 PolarHBondContact O-N 3.21Å; I120-F123 PolarHBondContact O-N 3.31Å; I120-E124 WeakPolarHBondContact O-CB 3.45Å; I120-E124 PolarHBondContact O-N 3.15Å
121L89.9Confident77.1Confident1 Ų185.6 Ų85.61%0.00542%0.42CS..Iπ-helixtrans-66-41.1-177.3-68.3171.2000112.3F55 F105 M108 M109 L117 K118 L119 G125 M126F55-L121 HydrophobicContact CZ-CD1 4.26Å; F55-L121 HydrophobicContact CZ-CD2 3.99Å; F105-L121 HydrophobicContact CE2-CD1 3.56Å; F105-L121 HydrophobicContact CZ-CD1 4.06Å; M108-L121 HydrophobicContact CE-CD1 4.16Å; M109-L121 HydrophobicContact CE-CB 4.43Å; M109-L121 HydrophobicContact SD-CD1 4.29Å; L117-L121 HydrophobicContact CD1-CD1 4Å; L117-L121 HydrophobicContact CD1-CG 4.14Å; L117-L121 HydrophobicContact CG-CD1 3.95Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.45Å; L117-L121 PolarHBondContact O-N 3.35Å; K118-L121 PolarHBondContact O-N 2.75Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 2.8Å; L121-G125 CarbonylContact O-C 3.51Å; L121-G125 WeakPolarHBondContact O-CA 3.4Å; L121-G125 PolarHBondContact O-N 3.25Å; L121-M126 VanDerWaalsContact O-CG 3.3Å; L121-M126 WeakPolarHBondContact O-CG 3.4Å; L121-M126 PolarHBondContact O-N 2.94Å
122M87.3Confident74.7Confident77 Ų7793.5 Ų93.538%0.37945%0.45SS..Iπ-helixtrans-67.3-40.4178.4-72-174.316200112.6M109 K118 L119 I120M109-M122 HydrophobicContact CE-CE 3.93Å; M109-M122 HydrophobicContact CE-CG 3.98Å; K118-M122 HydrophobicContact CD-CE 4.28Å; K118-M122 HydrophobicContact CD-SD 4.28Å; K118-M122 VanDerWaalsContact CE-SD 3.57Å; K118-M122 HydrophobicContact CG-CE 4.07Å; K118-M122 HydrophobicContact CG-CG 4.36Å; K118-M122 HydrophobicContact CG-SD 3.89Å; K118-M122 WeakPolarHBondContact O-CB 3.43Å; K118-M122 WeakPolarHBondContact O-CG 2.93Å; K118-M122 PolarHBondContact O-N 2.98Å; L119-M122 PolarHBondContact O-N 3.49Å; I120-M122 PolarHBondContact O-N 3.21Å
123F82.8Confident72.6Confident161 Ų16191.4 Ų91.471%0.70644%0.441SS*.Iπ-helixtrans-85.3-34.1-176.7-74-68.4000114.1L119 I120L119-F123 HydrophobicContact CB-CD2 4.39Å; L119-F123 HydrophobicContact CD2-CE2 4.2Å; L119-F123 WeakPolarHBondContact O-CD2 3.46Å; L119-F123 PolarHBondContact O-N 2.96Å; I120-F123 PolarHBondContact O-N 3.31Å
124E73.3Confident70.4Confident61 Ų6189.8 Ų89.829%0.28545%0.447SS..Iπ-helixtrans-114.5-28.1-170.2-57.1-174.4179.200113.8L75 L77 I120L75-E124 HydrophobicContact CD1-CB 4.43Å; L77-E124 VanDerWaalsContact CD1-CD 3.44Å; L77-E124 WeakPolarHBondContact CD1-OE1 3.43Å; L77-E124 WeakPolarHBondContact CD1-OE2 3.34Å; L77-E124 WeakPolarHBondContact CG-OE2 3.21Å; I120-E124 WeakPolarHBondContact O-CB 3.45Å; I120-E124 PolarHBondContact O-N 3.15Å
125G61.7Low68.4Low11 Ų1190.6 Ų90.611%0.11346%0.456CS..Iπ-helixtrans-99.1-22.6-171.100000115.1K51 L121K51-G125 PolarHBondContact NZ-O 3.48Å; K51-G125 VanDerWaalsContact NZ-O 3.11Å; L121-G125 CarbonylContact O-C 3.51Å; L121-G125 WeakPolarHBondContact O-CA 3.4Å; L121-G125 PolarHBondContact O-N 3.25Å
126M61.4Low66.6Low49 Ų4992.6 Ų92.624%0.24148%0.476CS..SBendtrans-119.4-18.9-172.3-61.4173.176.800113.5M47 F48 M109 L121M47-M126 HydrophobicContact CE-CE 3.15Å; M47-M126 HydrophobicContact CG-CE 3.53Å; M47-M126 HydrophobicContact SD-CE 3.28Å; M47-M126 WeakPolarHBondContact SD-CE 3.42Å; F48-M126 HydrophobicContact CD1-CE 3.64Å; F48-M126 HydrophobicContact CD1-SD 4.39Å; F48-M126 HydrophobicContact CE1-CE 3.36Å; F48-M126 HydrophobicContact CE1-SD 4.1Å; M109-M126 HydrophobicContact CE-CE 4.28Å; M109-M126 HydrophobicContact CE-SD 3.48Å; M109-M126 WeakPolarHBondContact CE-SD 3.3Å; L121-M126 VanDerWaalsContact O-CG 3.3Å; L121-M126 WeakPolarHBondContact O-CG 3.4Å; L121-M126 PolarHBondContact O-N 2.94Å
127G52Low65Low62 Ų6294.2 Ų94.264%0.63949%0.493SS*.SBendtrans-90.8-6.4178.100000115.4
128K53.7Low63.4Low152 Ų152100.1 Ų100.166%0.66153%0.531SS*.SBendtrans-95.6107171-65.6-177.4-177.7175.30107.3Q130K128-Q130 PolarHBondContact O-N 3.24Å
129E46.2Very low62.1Low198 Ų198104.3 Ų104.393%0.92556%0.562SS**  trans-50.1105.6163.1-72.5177.9157.800107.2E131E129-E131 PolarHBondContact O-N 3.25Å; E129-E131 VanDerWaalsContact O-N 3.16Å
130Q48.4Very low60.9Low123 Ų123112.3 Ų112.358%0.57559%0.588SS**  trans-71.1113.1173.1-81.1177.95.800106.1K128 Q132K128-Q130 PolarHBondContact O-N 3.24Å; Q130-Q132 PolarHBondContact O-N 2.85Å
131E43.3Very low60.1Low168 Ų168120.4 Ų120.479%0.78562%0.622SS**  trans-46.2111.5152-70.7-179.4165.400106.5E129 K133E129-E131 PolarHBondContact O-N 3.25Å; E129-E131 VanDerWaalsContact O-N 3.16Å; E131-K133 PolarHBondContact O-N 3.21Å
132Q42.9Very low59.7Low191 Ų191123.7 Ų123.789%0.89364%0.643SS**  trans-56.296.1167.4-104.6177.3-15.800106.3Q130 D134Q130-Q132 PolarHBondContact O-N 2.85Å; Q132-D134 VanDerWaalsContact C-N 3.29Å; Q132-D134 PolarHBondContact O-N 3.14Å
133K43.1Very low58.8Low168 Ų168129.1 Ų129.173%0.7366%0.664SS**  trans-68.9102.6163.3-72.8-171.3178.9179.50104.9E131 V135E131-K133 PolarHBondContact O-N 3.21Å; K133-V135 PolarHBondContact O-N 2.88Å
134D44Very low58.5Low158 Ų158126.4 Ų126.485%0.84567%0.665SS**  trans-5494.1168.6-156.4-23.3000106.9Q132 G136Q132-D134 VanDerWaalsContact C-N 3.29Å; Q132-D134 PolarHBondContact O-N 3.14Å; D134-G136 PolarHBondContact O-N 3.47Å
135V46.7Very low58.7Low130 Ų130128.3 Ų128.379%0.78868%0.678SS**  trans-78.682.1178.9-79.10000106.3K133K133-V135 PolarHBondContact O-N 2.88Å
136G55.7Low59.3Low45 Ų45133.6 Ų133.646%0.46470%0.702SS.*PPolyproline II helixtrans-48.5151.5164.700000110D134D134-G136 PolarHBondContact O-N 3.47Å
137P60.2Low59.6Low123 Ų123140.6 Ų140.680%0.79975%0.752SS**PPolyproline II helixtrans-51.4134.1-175.718.5-30.6000110.2S139P137-S139 PolarHBondContact O-N 3.16Å
138P60.4Low60Low124 Ų124144.6 Ų144.681%0.80576%0.757SS**PPolyproline II helixtrans-53.3133.2-175.818.3-30000110.1R140P138-R140 PolarHBondContact O-N 3.07Å
139S66.2Low60.3Low104 Ų104144.2 Ų144.273%0.72776%0.762SS**PPolyproline II helixtrans-58.1132.7178.952.50000109.6P137 K141P137-S139 PolarHBondContact O-N 3.16Å; S139-K141 PolarHBondContact O-N 3.33Å
140R68.4Low61.1Low237 Ų237141.2 Ų141.289%0.89475%0.753SS**  trans-68.3109.7175.7-73.5-175.5179.3178.50.2108.2P138P138-R140 PolarHBondContact O-N 3.07Å
141K74.5Confident61.8Low185 Ų185142.2 Ų142.280%0.80476%0.764SS**  trans-68.5129166.7-63-173.3178-174.50108.6S139 D145S139-K141 PolarHBondContact O-N 3.33Å; K141-D145 WeakPolarHBondContact CA-OD2 3.39Å
142T80.9Confident63Low71 Ų71140.6 Ų140.644%0.43676%0.763SS.*  trans-105.7166.6177.663.70000109.8S144 D145T142-S144 PolarHBondContact O-N 2.93Å; T142-S144 WeakPolarHBondContact OG1-CB 3.43Å; T142-S144 PolarHBondContact OG1-OG 3.23Å; T142-D145 PolarHBondContact N-OD2 3.33Å; T142-D145 WeakPolarHBondContact O-CB 3.43Å; T142-D145 PolarHBondContact O-N 2.76Å; T142-D145 PolarHBondContact OG1-OD2 2.95Å
143F69.9Low64.3Low191 Ų191137.3 Ų137.384%0.83875%0.754SS**G310 helixtrans-57.6-21.5175.1-71-79.7000113.2D145 L146F143-D145 PolarHBondContact O-N 2.76Å; F143-L146 HydrophobicContact CD1-CD1 4.16Å; F143-L146 PolarHBondContact O-N 3.46Å
144S76Confident65.9Low103 Ų103135.1 Ų135.172%0.7276%0.756SS**G310 helixtrans-65.3-17.3173-11.50000114T142T142-S144 PolarHBondContact O-N 2.93Å; T142-S144 WeakPolarHBondContact OG1-CB 3.43Å; T142-S144 PolarHBondContact OG1-OG 3.23Å
145D77.6Confident67.5Low102 Ų102133.3 Ų133.355%0.54575%0.749SS.*G310 helixtrans-967.9-177.2-56.3-53000112.9K141 T142 F143K141-D145 WeakPolarHBondContact CA-OD2 3.39Å; T142-D145 PolarHBondContact N-OD2 3.33Å; T142-D145 WeakPolarHBondContact O-CB 3.43Å; T142-D145 PolarHBondContact O-N 2.76Å; T142-D145 PolarHBondContact OG1-OD2 2.95Å; F143-D145 PolarHBondContact O-N 2.76Å
146L73.5Confident69.3Low121 Ų121133.6 Ų133.663%0.63475%0.745SS**  trans-91.1138.5174.1-66.8171.2000110.1F143F143-L146 HydrophobicContact CD1-CD1 4.16Å; F143-L146 PolarHBondContact O-N 3.46Å
147P68.1Low70.5Confident197 Ų197141.6 Ų141.6100%1.27977%0.771SS**  trans-68.80176.829.5-34.3000113.3

Retrieved 147 of 147 residues in 45.2 ms (Link to these results)

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