A0A087YH67_POEFO Loading...

Mono-ADP ribosylhydrolase 2

AlphaFold DB , UniProt , Accession A0A087YH67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 409 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
1M36.4Very low73.8Confident230 Ų230114 Ų114100%1.13356%0.556SS**  0137.40-63.9178.9-174.300106.6K3M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.12Å
2S40.6Very low75.9Confident117 Ų117108.4 Ų108.482%0.81853%0.527SS*.PPolyproline II helixtrans-59.6118.6179.71760000110.1K4S2-K4 PolarHBondContact O-N 3.16Å
3K52.6Low77.5Confident151 Ų151109.7 Ų109.766%0.65753%0.531SS*.PPolyproline II helixtrans-63.1117.9166.2-67.9174.6-176.8168.70105.9M1 K5M1-K3 PolarHBondContact O-N 3.26Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-K5 PolarHBondContact O-N 3.12Å
4K57.7Low79Confident197 Ų197107.6 Ų107.686%0.85752%0.515SS*.PPolyproline II helixtrans-57.7128.9170.5-77.5-173.5173.9-175.10108.1S2 K6S2-K4 PolarHBondContact O-N 3.16Å; K4-K6 PolarHBondContact O-N 3.26Å
5K63Low80.2Confident107 Ų107100.9 Ų100.947%0.46548%0.483SS..PPolyproline II helixtrans-52.3124.7172.4-165.2176.7-176.3-168.30108.2K3 D7 D109K3-K5 PolarHBondContact O-N 3.12Å; K5-D7 PolarHBondContact O-N 3.23Å; K5-D109 WeakPolarHBondContact CE-OD2 3.13Å; K5-D109 IonicContact NZ-OD1 2.77Å; K5-D109 PolarHBondContact NZ-OD1 3.48Å; K5-D109 IonicContact NZ-OD2 3.41Å; K5-D109 PolarHBondContact NZ-OD2 3.33Å
6K80.1Confident81.1Confident92 Ų9297.5 Ų97.540%0.447%0.468SS..PPolyproline II helixtrans-63.8122.9179.9-76.9-176.6179.3-177.50108.1K4 W8 E11 C106K4-K6 PolarHBondContact O-N 3.26Å; K6-W8 PolarHBondContact O-N 3.03Å; K6-E11 HydrophobicContact CD-CG 4.04Å; K6-E11 WeakPolarHBondContact CE-OE1 3.28Å; K6-E11 IonicContact NZ-OE1 2.58Å; K6-E11 PolarHBondContact NZ-OE1 3.26Å; K6-C106 VanDerWaalsContact CB-SG 3.53Å
7D93.4Very high82Confident77 Ų77100.2 Ų100.241%0.41248%0.48SS..PPolyproline II helixtrans-66.5121.8168.116762.3000109K5 K9 T10 E11K5-D7 PolarHBondContact O-N 3.23Å; D7-K9 PolarHBondContact O-N 3.05Å; D7-K9 WeakPolarHBondContact OD2-CB 3.14Å; D7-K9 PolarHBondContact OD2-N 3.35Å; D7-T10 PolarHBondContact O-N 3.17Å; D7-T10 VanDerWaalsContact OD2-CB 3.31Å; D7-T10 WeakPolarHBondContact OD2-CB 3.23Å; D7-T10 PolarHBondContact OD2-N 3.03Å; D7-T10 PolarHBondContact OD2-OG1 3.17Å; D7-E11 PolarHBondContact O-N 3.31Å
8W96.6Very high82.8Confident44 Ų4497.1 Ų97.117%0.16747%0.466CS..Hα-helixtrans-63.2-30.8-173.570.4-100.2000112.6K6 K12 C106 D109 E110 S113 Y128K6-W8 PolarHBondContact O-N 3.03Å; W8-K12 HydrophobicContact CE3-CD 4.4Å; W8-K12 HydrophobicContact CZ3-CD 4.18Å; W8-K12 WeakPolarHBondContact O-CB 3.47Å; W8-K12 PolarHBondContact O-N 3.06Å; W8-C106 HydrophobicContact CB-CB 3.94Å; W8-D109 HydrophobicContact CB-CB 4.34Å; W8-D109 HydrophobicContact CG-CB 4.2Å; W8-D109 PolarHBondContact NE1-O 2.83Å; W8-E110 HydrophobicContact CD2-CB 3.78Å; W8-E110 HydrophobicContact CD2-CG 4.19Å; W8-E110 HydrophobicContact CE3-CB 3.74Å; W8-E110 HydrophobicContact CE3-CG 3.73Å; W8-E110 HydrophobicContact CG-CB 4.21Å; W8-E110 HydrophobicContact CH2-CB 4.49Å; W8-E110 HydrophobicContact CH2-CG 3.89Å; W8-E110 HydrophobicContact CZ2-CG 4.34Å; W8-E110 HydrophobicContact CZ3-CB 4.11Å; W8-E110 HydrophobicContact CZ3-CG 3.57Å; W8-E110 WeakPolarHBondContact CZ3-OE1 3.45Å; W8-S113 VanDerWaalsContact CZ2-OG 3.26Å; W8-S113 WeakPolarHBondContact CZ2-OG 3.21Å; W8-Y128 HydrophobicContact CB-CE1 4.23Å
9K97.6Very high83.5Confident127 Ų12796.6 Ų96.655%0.55247%0.467SS*.Hα-helixtrans-69.4-49.4179.7-61.4176.1-178.3175.50111D7 E11 K12 E13D7-K9 PolarHBondContact O-N 3.05Å; D7-K9 WeakPolarHBondContact OD2-CB 3.14Å; D7-K9 PolarHBondContact OD2-N 3.35Å; K9-E11 VanDerWaalsContact C-N 3.32Å; K9-E11 PolarHBondContact O-N 3.29Å; K9-K12 PolarHBondContact O-N 3.34Å; K9-E13 PolarHBondContact O-N 3.2Å
10T97Very high84Confident93 Ų9395.9 Ų95.957%0.57146%0.459SS*.Hα-helixtrans-59.7-42.8175.6-540000111.1D7 R14D7-T10 PolarHBondContact O-N 3.17Å; D7-T10 VanDerWaalsContact OD2-CB 3.31Å; D7-T10 WeakPolarHBondContact OD2-CB 3.23Å; D7-T10 PolarHBondContact OD2-N 3.03Å; D7-T10 PolarHBondContact OD2-OG1 3.17Å; T10-R14 WeakPolarHBondContact O-CB 3.15Å; T10-R14 PolarHBondContact O-N 3.05Å
11E97.4Very high84.5Confident19 Ų1996 Ų969%0.08946%0.459CS..Hα-helixtrans-72.3-37.7179.8-172.469.4160.700112.6K6 D7 K9 R14 L15 Y128K6-E11 HydrophobicContact CD-CG 4.04Å; K6-E11 WeakPolarHBondContact CE-OE1 3.28Å; K6-E11 IonicContact NZ-OE1 2.58Å; K6-E11 PolarHBondContact NZ-OE1 3.26Å; D7-E11 PolarHBondContact O-N 3.31Å; K9-E11 VanDerWaalsContact C-N 3.32Å; K9-E11 PolarHBondContact O-N 3.29Å; E11-R14 PolarHBondContact O-N 3.42Å; E11-R14 IonicContact OE1-CZ 3.65Å; E11-R14 IonicContact OE1-NE 3.63Å; E11-R14 IonicContact OE1-NH2 2.7Å; E11-R14 PolarHBondContact OE1-NH2 3.16Å; E11-R14 IonicContact OE2-CZ 2.58Å; E11-R14 IonicContact OE2-NE 3.94Å; E11-R14 PolarHBondContact OE2-NE 3.27Å; E11-R14 IonicContact OE2-NH2 3.14Å; E11-R14 PolarHBondContact OE2-NH2 2.63Å; E11-L15 HydrophobicContact CG-CD1 3.86Å; E11-L15 HydrophobicContact CG-CG 4.27Å; E11-L15 WeakPolarHBondContact O-CB 3.15Å; E11-L15 WeakPolarHBondContact O-CG 3.47Å; E11-L15 PolarHBondContact O-N 2.68Å; E11-Y128 HydrophobicContact CG-CD1 4.24Å
12K97.9Very high87.4Confident47 Ų4788.2 Ų88.220%0.20442%0.422CS..Hα-helixtrans-61.1-44.9171.9175.5169.6-172.1-179.10111.5W8 K9 L16 E110 C126 Y128W8-K12 HydrophobicContact CE3-CD 4.4Å; W8-K12 HydrophobicContact CZ3-CD 4.18Å; W8-K12 WeakPolarHBondContact O-CB 3.47Å; W8-K12 PolarHBondContact O-N 3.06Å; K9-K12 PolarHBondContact O-N 3.34Å; K12-L16 HydrophobicContact CG-CD1 3.72Å; K12-L16 HydrophobicContact CG-CG 4.41Å; K12-L16 WeakPolarHBondContact O-CB 3.5Å; K12-L16 VanDerWaalsContact O-CG 3.22Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 3.23Å; K12-L16 VanDerWaalsContact O-N 3.09Å; K12-E110 IonicContact NZ-OE1 2.72Å; K12-E110 PolarHBondContact NZ-OE1 2.82Å; K12-C126 HydrophobicContact CB-CB 4.15Å; K12-C126 HydrophobicContact CD-CB 3.94Å; K12-C126 HydrophobicContact CG-CB 3.78Å; K12-Y128 HydrophobicContact CB-CE1 4.24Å
13E97.6Very high90Very high125 Ų12583.2 Ų83.258%0.58439%0.385SS*.Hα-helixtrans-60.9-46.1175.4-178.8171.2-17000111.2K9 Q17K9-E13 PolarHBondContact O-N 3.2Å; E13-Q17 VanDerWaalsContact CG-NE2 3.31Å; E13-Q17 VanDerWaalsContact O-CG 3.31Å; E13-Q17 WeakPolarHBondContact O-CG 3.35Å; E13-Q17 PolarHBondContact O-N 3.27Å; E13-Q17 PolarHBondContact OE1-NE2 3.36Å
14R97.6Very high92.1Very high80 Ų8079.2 Ų79.230%0.30237%0.366SS..Hα-helixtrans-60-53.4177.2-171.7-173.77385.1-2.3112.2T10 E11 L16 Q17 L18 E26T10-R14 WeakPolarHBondContact O-CB 3.15Å; T10-R14 PolarHBondContact O-N 3.05Å; E11-R14 PolarHBondContact O-N 3.42Å; E11-R14 IonicContact OE1-CZ 3.65Å; E11-R14 IonicContact OE1-NE 3.63Å; E11-R14 IonicContact OE1-NH2 2.7Å; E11-R14 PolarHBondContact OE1-NH2 3.16Å; E11-R14 IonicContact OE2-CZ 2.58Å; E11-R14 IonicContact OE2-NE 3.94Å; E11-R14 PolarHBondContact OE2-NE 3.27Å; E11-R14 IonicContact OE2-NH2 3.14Å; E11-R14 PolarHBondContact OE2-NH2 2.63Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.42Å; R14-Q17 PolarHBondContact O-N 3.22Å; R14-L18 PolarHBondContact O-N 3.18Å; R14-E26 IonicContact CZ-OE1 3.96Å; R14-E26 IonicContact CZ-OE2 2.73Å; R14-E26 VanDerWaalsContact NH1-CD 3.31Å; R14-E26 IonicContact NH1-OE1 3.38Å; R14-E26 PolarHBondContact NH1-OE1 3.1Å; R14-E26 IonicContact NH1-OE2 2.62Å; R14-E26 PolarHBondContact NH1-OE2 3.33Å; R14-E26 IonicContact NH2-OE1 2.85Å; R14-E26 IonicContact NH2-OE2 2.69Å; R14-E26 PolarHBondContact NH2-OE2 3.32Å
15L97.3Very high93.9Very high8 Ų877.1 Ų77.14%0.04236%0.357CS..Hα-helixtrans-68-28.8-174-72.9174.8000113.3E11 Q17 L18 Y128E11-L15 HydrophobicContact CG-CD1 3.86Å; E11-L15 HydrophobicContact CG-CG 4.27Å; E11-L15 WeakPolarHBondContact O-CB 3.15Å; E11-L15 WeakPolarHBondContact O-CG 3.47Å; E11-L15 PolarHBondContact O-N 2.68Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-L18 HydrophobicContact CD2-CD1 4.31Å; L15-Y128 HydrophobicContact CD1-CD1 4.32Å
16L95.4Very high95.5Very high46 Ų4676 Ų7624%0.24135%0.353CS..Hα-helixtrans-80.2-12.4176.5-66.8176.7000113.6K12 R14 Y134K12-L16 HydrophobicContact CG-CD1 3.72Å; K12-L16 HydrophobicContact CG-CG 4.41Å; K12-L16 WeakPolarHBondContact O-CB 3.5Å; K12-L16 VanDerWaalsContact O-CG 3.22Å; K12-L16 WeakPolarHBondContact O-CG 3.41Å; K12-L16 PolarHBondContact O-N 3.23Å; K12-L16 VanDerWaalsContact O-N 3.09Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 3.42Å; L16-Y134 HydrophobicContact CD1-CE1 3.98Å; L16-Y134 HydrophobicContact CD2-CE1 3.93Å; L16-Y134 HydrophobicContact CD2-CE2 3.98Å
17Q96.4Very high96.1Very high143 Ų14373 Ų7367%0.66834%0.34SS*.Hα-helixtrans-90.3-16.3173.3-70.4175.921.800113.7E13 R14 L15E13-Q17 VanDerWaalsContact CG-NE2 3.31Å; E13-Q17 VanDerWaalsContact O-CG 3.31Å; E13-Q17 WeakPolarHBondContact O-CG 3.35Å; E13-Q17 PolarHBondContact O-N 3.27Å; E13-Q17 PolarHBondContact OE1-NE2 3.36Å; R14-Q17 PolarHBondContact O-N 3.22Å; L15-Q17 VanDerWaalsContact C-N 3.33Å
18L95.6Very high95.8Very high44 Ų4476.1 Ų76.123%0.2335%0.346CS..SBendtrans-77.2148.2176.8-65-178000112.3R14 L15 D22 R23R14-L18 PolarHBondContact O-N 3.18Å; L15-L18 HydrophobicContact CD2-CD1 4.31Å; L18-D22 HydrophobicContact CB-CB 4.33Å; L18-D22 HydrophobicContact CD2-CB 4.15Å; L18-R23 HydrophobicContact CB-CG 3.71Å; L18-R23 HydrophobicContact CD1-CG 4.11Å
19D95.5Very high95.4Very high89 Ų8980 Ų8048%0.47636%0.363SS..  trans-78176.1166.566.433.3000111.8E21 D22 R23D19-E21 WeakPolarHBondContact OD1-CB 3.35Å; D19-E21 PolarHBondContact OD1-N 3.21Å; D19-D22 WeakPolarHBondContact OD1-CB 2.98Å; D19-D22 PolarHBondContact OD1-N 3.18Å; D19-R23 WeakPolarHBondContact O-CG 3.33Å; D19-R23 PolarHBondContact O-N 3.14Å
20R93.4Very high95.1Very high81 Ų8176.8 Ų76.831%0.30637%0.367SS..Hα-helixtrans-69.3-38.4-177.5-67.8-174.1177.1-169.6-2.4110.7D22 R23 R24 D79R20-D22 PolarHBondContact O-N 3.31Å; R20-R23 PolarHBondContact O-N 3.42Å; R20-R24 WeakPolarHBondContact O-CB 3.31Å; R20-R24 VanDerWaalsContact O-CD 3.24Å; R20-R24 WeakPolarHBondContact O-CD 3.37Å; R20-R24 WeakPolarHBondContact O-CG 3.47Å; R20-R24 PolarHBondContact O-N 2.7Å; R20-D79 IonicContact NH2-OD1 2.74Å; R20-D79 PolarHBondContact NH2-OD1 3.37Å; R20-D79 IonicContact NH2-OD2 3.73Å
21E95.3Very high95.1Very high100 Ų10075.9 Ų75.947%0.46736%0.355SS..Hα-helixtrans-62.9-36.9180-72.952.4-123.500112.7D19 R24 K25D19-E21 WeakPolarHBondContact OD1-CB 3.35Å; D19-E21 PolarHBondContact OD1-N 3.21Å; E21-R24 IonicContact OE1-CZ 2.7Å; E21-R24 IonicContact OE1-NH1 3.69Å; E21-R24 PolarHBondContact OE1-NH1 2.93Å; E21-K25 WeakPolarHBondContact O-CE 3.2Å
22D96.5Very high95.2Very high66 Ų6676.4 Ų76.435%0.35336%0.359SS..Hα-helixtrans-74.9-46.7170.8-85.7-10.9000112.1L18 D19 R20 R24 K25L18-D22 HydrophobicContact CB-CB 4.33Å; L18-D22 HydrophobicContact CD2-CB 4.15Å; D19-D22 WeakPolarHBondContact OD1-CB 2.98Å; D19-D22 PolarHBondContact OD1-N 3.18Å; R20-D22 PolarHBondContact O-N 3.31Å; D22-R24 VanDerWaalsContact C-N 3.27Å; D22-R24 PolarHBondContact O-N 2.69Å; D22-K25 WeakPolarHBondContact O-CB 3.22Å; D22-K25 PolarHBondContact O-N 3.01Å; D22-K25 IonicContact OD1-NZ 3.42Å; D22-K25 PolarHBondContact OD1-NZ 3.15Å
23R96.3Very high95.1Very high11 Ų1177 Ų774%0.04236%0.363CS..Hα-helixtrans-58.1-37.7177.9-74-167.976-119.83.8112.8L18 D19 R20 K25 E26 Y27 Y128 L130 P131 A132L18-R23 HydrophobicContact CB-CG 3.71Å; L18-R23 HydrophobicContact CD1-CG 4.11Å; D19-R23 WeakPolarHBondContact O-CG 3.33Å; D19-R23 PolarHBondContact O-N 3.14Å; R20-R23 PolarHBondContact O-N 3.42Å; R23-K25 PolarHBondContact O-N 3.42Å; R23-K25 VanDerWaalsContact O-N 3.09Å; R23-E26 PolarHBondContact O-N 3.02Å; R23-Y27 HydrophobicContact CB-CE1 3.81Å; R23-Y27 PolarHBondContact NH1-OH 3.31Å; R23-Y27 WeakPolarHBondContact O-CD1 3.31Å; R23-Y27 VanDerWaalsContact O-CE1 3.31Å; R23-Y27 WeakPolarHBondContact O-CE1 3.5Å; R23-Y27 PolarHBondContact O-N 3.15Å; R23-Y128 PolarHBondContact NH2-O 2.64Å; R23-Y128 VanDerWaalsContact NH2-O 3.14Å; R23-L130 PolarHBondContact NH2-O 3.34Å; R23-P131 PolarHBondContact NH1-O 2.88Å; R23-A132 PolarHBondContact NH2-O 2.65Å
24R96.7Very high95.1Very high68 Ų6872.1 Ų72.126%0.25734%0.341SS..THydrogen-bonded Turntrans-57.1-21.7175.4-75.4160.2178.4-166.7-19.9114.4R20 E21 D22 E26 Y27 F31 E77R20-R24 WeakPolarHBondContact O-CB 3.31Å; R20-R24 VanDerWaalsContact O-CD 3.24Å; R20-R24 WeakPolarHBondContact O-CD 3.37Å; R20-R24 WeakPolarHBondContact O-CG 3.47Å; R20-R24 PolarHBondContact O-N 2.7Å; E21-R24 IonicContact OE1-CZ 2.7Å; E21-R24 IonicContact OE1-NH1 3.69Å; E21-R24 PolarHBondContact OE1-NH1 2.93Å; D22-R24 VanDerWaalsContact C-N 3.27Å; D22-R24 PolarHBondContact O-N 2.69Å; R24-E26 VanDerWaalsContact C-N 3.35Å; R24-Y27 HydrophobicContact CB-CD2 4.43Å; R24-Y27 HydrophobicContact CB-CE2 4.16Å; R24-Y27 HydrophobicContact CG-CD2 4.24Å; R24-Y27 HydrophobicContact CG-CE2 3.57Å; R24-F31 HydrophobicContact CB-CZ 4.42Å; R24-F31 HydrophobicContact CG-CE1 4.35Å; R24-F31 HydrophobicContact CG-CE2 4.07Å; R24-F31 HydrophobicContact CG-CZ 3.78Å; R24-E77 VanDerWaalsContact CG-OE1 3.26Å; R24-E77 WeakPolarHBondContact CG-OE1 3.46Å; R24-E77 IonicContact CZ-OE1 3.81Å; R24-E77 IonicContact CZ-OE2 3.83Å; R24-E77 IonicContact NE-OE1 3.47Å; R24-E77 PolarHBondContact NE-OE1 3.47Å; R24-E77 IonicContact NE-OE2 3.65Å; R24-E77 PolarHBondContact NE-OE2 2.85Å; R24-E77 IonicContact NH2-OE1 3.39Å; R24-E77 IonicContact NH2-OE2 2.68Å; R24-E77 PolarHBondContact NH2-OE2 2.58Å
25K96.4Very high95Very high152 Ų15275 Ų7566%0.66136%0.362SS*.THydrogen-bonded Turntrans-81.6-15176.6-59162-168.51560112.8E21 D22 R23E21-K25 WeakPolarHBondContact O-CE 3.2Å; D22-K25 WeakPolarHBondContact O-CB 3.22Å; D22-K25 PolarHBondContact O-N 3.01Å; D22-K25 IonicContact OD1-NZ 3.42Å; D22-K25 PolarHBondContact OD1-NZ 3.15Å; R23-K25 PolarHBondContact O-N 3.42Å; R23-K25 VanDerWaalsContact O-N 3.09Å
26E95.1Very high95Very high84 Ų8479.3 Ų79.339%0.39339%0.385SS..THydrogen-bonded Turntrans-106.6-9.4-177.8-60.2-171.3-169.800113.4R14 R23 R24 R28R14-E26 IonicContact CZ-OE1 3.96Å; R14-E26 IonicContact CZ-OE2 2.73Å; R14-E26 VanDerWaalsContact NH1-CD 3.31Å; R14-E26 IonicContact NH1-OE1 3.38Å; R14-E26 PolarHBondContact NH1-OE1 3.1Å; R14-E26 IonicContact NH1-OE2 2.62Å; R14-E26 PolarHBondContact NH1-OE2 3.33Å; R14-E26 IonicContact NH2-OE1 2.85Å; R14-E26 IonicContact NH2-OE2 2.69Å; R14-E26 PolarHBondContact NH2-OE2 3.32Å; R23-E26 PolarHBondContact O-N 3.02Å; R24-E26 VanDerWaalsContact C-N 3.35Å; E26-R28 PolarHBondContact O-N 3.07Å
27Y93.9Very high95.1Very high30 Ų3077.3 Ų77.312%0.11838%0.375CS..  trans-62.6123.7179.1-62.3-17.6000111.7R23 R24 K29 F31 E77 P131R23-Y27 HydrophobicContact CB-CE1 3.81Å; R23-Y27 PolarHBondContact NH1-OH 3.31Å; R23-Y27 WeakPolarHBondContact O-CD1 3.31Å; R23-Y27 VanDerWaalsContact O-CE1 3.31Å; R23-Y27 WeakPolarHBondContact O-CE1 3.5Å; R23-Y27 PolarHBondContact O-N 3.15Å; R24-Y27 HydrophobicContact CB-CD2 4.43Å; R24-Y27 HydrophobicContact CB-CE2 4.16Å; R24-Y27 HydrophobicContact CG-CD2 4.24Å; R24-Y27 HydrophobicContact CG-CE2 3.57Å; Y27-K29 PolarHBondContact O-N 2.7Å; Y27-F31 HydrophobicContact CD2-CB 4.18Å; Y27-F31 AromaticContact CD2-CD1 3.63Å; Y27-F31 HydrophobicContact CD2-CD1 3.63Å; Y27-F31 HydrophobicContact CD2-CE1 4.11Å; Y27-F31 AromaticContact CD2-CG 3.87Å; Y27-F31 HydrophobicContact CD2-CG 3.87Å; Y27-F31 HydrophobicContact CE2-CB 4.4Å; Y27-F31 HydrophobicContact CE2-CD1 4.12Å; Y27-F31 HydrophobicContact CE2-CD2 4.21Å; Y27-F31 HydrophobicContact CE2-CE1 4.46Å; Y27-F31 HydrophobicContact CE2-CG 4Å; Y27-E77 WeakPolarHBondContact CE2-OE1 3.4Å; Y27-E77 PolarHBondContact OH-OE1 2.93Å; Y27-P131 HydrophobicContact CD2-CB 4.26Å; Y27-P131 HydrophobicContact CD2-CG 4.19Å; Y27-P131 HydrophobicContact CE1-CB 4.35Å; Y27-P131 HydrophobicContact CE2-CB 3.87Å; Y27-P131 HydrophobicContact CE2-CG 4.3Å; Y27-P131 HydrophobicContact CG-CG 4.39Å; Y27-P131 PolarHBondContact OH-O 2.7Å
28R87.4Confident95.2Very high142 Ų14273.5 Ų73.554%0.53636%0.362SS..SBendtrans-70.4-9.4-179.5-57.1-171.1-173.2-156.715.8114.7E26 D129 E319E26-R28 PolarHBondContact O-N 3.07Å; R28-D129 HydrophobicContact CG-CB 4.44Å; R28-D129 IonicContact CZ-OD2 3.91Å; R28-D129 IonicContact NE-OD2 3.51Å; R28-D129 PolarHBondContact NE-OD2 2.77Å; R28-D129 IonicContact NH2-OD2 3.37Å; R28-D129 PolarHBondContact NH2-OD2 3.41Å; R28-E319 IonicContact CZ-OE1 2.65Å; R28-E319 IonicContact NH1-OE1 2.96Å; R28-E319 PolarHBondContact NH1-OE1 3.17Å; R28-E319 IonicContact NH2-OE1 3.99Å; R28-E319 PolarHBondContact NH2-OE1 2.81Å
29K86.7Confident95.2Very high125 Ų12571.8 Ų71.854%0.54335%0.354SS..SBendtrans-147.1165.9-171.5-65.6-179-174.71700110.7Y27Y27-K29 PolarHBondContact O-N 2.7Å
30G92.4Very high95.2Very high60 Ų6067.7 Ų67.762%0.61933%0.332SS*.  trans-60.1148.8167.700000112.3V75G30-V75 WeakPolarHBondContact O-CG1 3.49Å
31F97.1Very high95.1Very high73 Ų7364.3 Ų64.332%0.3232%0.319SS..  trans-128.5162.2-176.963.6-78.7000110.9R24 Y27 Q33 V75 E77 P131R24-F31 HydrophobicContact CB-CZ 4.42Å; R24-F31 HydrophobicContact CG-CE1 4.35Å; R24-F31 HydrophobicContact CG-CE2 4.07Å; R24-F31 HydrophobicContact CG-CZ 3.78Å; Y27-F31 HydrophobicContact CD2-CB 4.18Å; Y27-F31 AromaticContact CD2-CD1 3.63Å; Y27-F31 HydrophobicContact CD2-CD1 3.63Å; Y27-F31 HydrophobicContact CD2-CE1 4.11Å; Y27-F31 AromaticContact CD2-CG 3.87Å; Y27-F31 HydrophobicContact CD2-CG 3.87Å; Y27-F31 HydrophobicContact CE2-CB 4.4Å; Y27-F31 HydrophobicContact CE2-CD1 4.12Å; Y27-F31 HydrophobicContact CE2-CD2 4.21Å; Y27-F31 HydrophobicContact CE2-CE1 4.46Å; Y27-F31 HydrophobicContact CE2-CG 4Å; F31-Q33 HydrophobicContact CD2-CG 4.08Å; F31-Q33 HydrophobicContact CE2-CG 3.69Å; F31-V75 CarbonylContact C-O 3.57Å; F31-V75 VanDerWaalsContact CA-O 3.26Å; F31-V75 WeakPolarHBondContact CA-O 3.49Å; F31-E77 HydrophobicContact CD2-CB 4.13Å; F31-P131 HydrophobicContact CB-CB 4Å; F31-P131 HydrophobicContact CB-CG 3.66Å
32T98Very high95Very high30 Ų3064.1 Ų64.118%0.18432%0.318CS..EExtended strand (participates in β ladder)trans-116125.4172.4-54.50000108.3D36 I37 Y69 V75 E77T32-D36 HydrophobicContact CG2-CB 4.05Å; T32-I37 HydrophobicContact CG2-CD1 3.93Å; T32-I37 HydrophobicContact CG2-CG1 3.73Å; T32-Y69 HydrophobicContact CG2-CE2 4.25Å; T32-V75 PolarHBondContact N-O 2.68Å; T32-E77 PolarHBondContact O-N 3.29Å
33Q97.6Very high94.6Very high60 Ų6063.7 Ų63.728%0.2831%0.314SS..EExtended strand (participates in β ladder)trans-79.3158.7178.5-56.2169.2102.100110.7F31 D35 D36 I37F31-Q33 HydrophobicContact CD2-CG 4.08Å; F31-Q33 HydrophobicContact CE2-CG 3.69Å; Q33-D35 PolarHBondContact O-N 3.04Å; Q33-D36 VanDerWaalsContact CB-OD2 3.23Å; Q33-D36 WeakPolarHBondContact CB-OD2 3.23Å; Q33-D36 PolarHBondContact N-OD2 2.98Å; Q33-D36 VanDerWaalsContact N-OD2 3.13Å; Q33-D36 PolarHBondContact NE2-OD2 3.19Å; Q33-D36 VanDerWaalsContact NE2-OD2 3.07Å; Q33-D36 PolarHBondContact O-N 2.74Å; Q33-D36 VanDerWaalsContact O-N 3.16Å; Q33-I37 WeakPolarHBondContact O-CG1 3.35Å
34L96.8Very high93.9Very high22 Ų2264.6 Ų64.612%0.11532%0.319CS..G310 helixtrans-53.7-39.1172.5-176.770.7000112.9D36 I37 V78 T173 R212 I214L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 2.87Å; L34-I37 PolarHBondContact O-N 2.73Å; L34-I37 VanDerWaalsContact O-N 3.14Å; L34-V78 HydrophobicContact CD1-CG1 4.42Å; L34-T173 HydrophobicContact CD1-CG2 3.97Å; L34-T173 HydrophobicContact CD2-CG2 3.72Å; L34-T173 HydrophobicContact CG-CG2 4.49Å; L34-R212 HydrophobicContact CD1-CB 3.89Å; L34-R212 HydrophobicContact CD1-CG 4.09Å; L34-I214 HydrophobicContact CD1-CD1 4.24Å
35D96Very high92.8Very high141 Ų14166.8 Ų66.875%0.75433%0.328SS*.G310 helixtrans-74.8-20.4-175.7-59.9-12.5000112.4Q33 I37Q33-D35 PolarHBondContact O-N 3.04Å; D35-I37 PolarHBondContact O-N 2.95Å
36D97Very high91.1Very high98 Ų9863 Ų6352%0.52432%0.321SS..G310 helixtrans-78-7.6171.8-58.3-52000112T32 Q33 L34T32-D36 HydrophobicContact CG2-CB 4.05Å; Q33-D36 VanDerWaalsContact CB-OD2 3.23Å; Q33-D36 WeakPolarHBondContact CB-OD2 3.23Å; Q33-D36 PolarHBondContact N-OD2 2.98Å; Q33-D36 VanDerWaalsContact N-OD2 3.13Å; Q33-D36 PolarHBondContact NE2-OD2 3.19Å; Q33-D36 VanDerWaalsContact NE2-OD2 3.07Å; Q33-D36 PolarHBondContact O-N 2.74Å; Q33-D36 VanDerWaalsContact O-N 3.16Å; L34-D36 VanDerWaalsContact C-N 3.29Å; L34-D36 PolarHBondContact O-N 2.87Å
37I97.8Very high89.3Confident5 Ų565.6 Ų65.63%0.02633%0.327CS..SBendtrans-109.8105.9-175.5-56.9169.3000109.3T32 Q33 L34 D35 Y69 L76 R212 I214T32-I37 HydrophobicContact CG2-CD1 3.93Å; T32-I37 HydrophobicContact CG2-CG1 3.73Å; Q33-I37 WeakPolarHBondContact O-CG1 3.35Å; L34-I37 PolarHBondContact O-N 2.73Å; L34-I37 VanDerWaalsContact O-N 3.14Å; D35-I37 PolarHBondContact O-N 2.95Å; I37-Y69 HydrophobicContact CD1-CD2 4.32Å; I37-Y69 HydrophobicContact CG1-CD2 4.15Å; I37-Y69 HydrophobicContact CG1-CE2 4.48Å; I37-Y69 HydrophobicContact CG2-CD2 4.38Å; I37-L76 HydrophobicContact CD1-CD2 3.8Å; I37-R212 PolarHBondContact O-NH1 3.31Å; I37-I214 HydrophobicContact CD1-CD1 3.82Å; I37-I214 HydrophobicContact CG2-CD1 4.41Å
38P96.8Very high87.5Confident62 Ų6269.1 Ų69.140%0.40335%0.348SS..  trans-63.5147.5-176.125.8-34.2000112E42 S67P38-E42 HydrophobicContact CB-CB 4.11Å; P38-S67 WeakPolarHBondContact O-CB 3.48Å; P38-S67 PolarHBondContact O-OG 2.78Å
39T97.1Very high85.7Confident9 Ų970.6 Ų70.66%0.05536%0.358CS..  trans-62.5158.3164.361.10000110.6R41 E42 E43 D64T39-R41 PolarHBondContact O-N 2.83Å; T39-E42 VanDerWaalsContact CB-OE2 3.28Å; T39-E42 WeakPolarHBondContact CB-OE2 3.44Å; T39-E42 VanDerWaalsContact CG2-OE2 3.29Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.1Å; T39-E42 PolarHBondContact N-OE2 3.01Å; T39-E42 PolarHBondContact O-N 3.2Å; T39-E42 VanDerWaalsContact O-N 3.14Å; T39-E42 WeakPolarHBondContact OG1-CB 3.37Å; T39-E42 VanDerWaalsContact OG1-CG 3.22Å; T39-E42 WeakPolarHBondContact OG1-CG 3.31Å; T39-E42 PolarHBondContact OG1-N 3.29Å; T39-E42 PolarHBondContact OG1-OE2 3.38Å; T39-E43 PolarHBondContact O-N 3.26Å; T39-D64 VanDerWaalsContact CG2-O 3.28Å; T39-D64 WeakPolarHBondContact CG2-O 3.22Å
40W95.6Very high84Confident2 Ų273.7 Ų73.71%0.00837%0.374CS..Hα-helixtrans-60.4-29.1171.2-175.9-116.4000112.3E43 N44 G63 V66 L68 K227 M230 A231 F234W40-E43 HydrophobicContact CE3-CG 4.2Å; W40-E43 HydrophobicContact CZ3-CG 4.03Å; W40-N44 VanDerWaalsContact CZ2-ND2 3.34Å; W40-N44 WeakPolarHBondContact CZ2-ND2 3.22Å; W40-N44 PolarHBondContact NE1-ND2 2.77Å; W40-N44 WeakPolarHBondContact O-CB 3.31Å; W40-N44 PolarHBondContact O-N 2.9Å; W40-N44 VanDerWaalsContact O-N 3.13Å; W40-N44 PolarHBondContact O-ND2 3.05Å; W40-G63 PolarHBondContact N-O 3.46Å; W40-V66 HydrophobicContact CB-CG2 3.8Å; W40-V66 WeakPolarHBondContact CB-O 3.34Å; W40-V66 HydrophobicContact CG-CG2 4.39Å; W40-V66 PolarHBondContact N-O 2.99Å; W40-L68 HydrophobicContact CE3-CB 4.39Å; W40-L68 HydrophobicContact CZ3-CB 4.49Å; W40-L68 HydrophobicContact CZ3-CD2 4.35Å; W40-K227 HydrophobicContact CH2-CG 3.99Å; W40-K227 WeakPolarHBondContact CH2-O 3.26Å; W40-K227 HydrophobicContact CZ3-CG 4.28Å; W40-M230 HydrophobicContact CB-CE 4.1Å; W40-M230 HydrophobicContact CD2-CB 3.89Å; W40-M230 HydrophobicContact CD2-CE 3.89Å; W40-M230 VanDerWaalsContact CE2-CB 3.45Å; W40-M230 HydrophobicContact CE3-CB 4.27Å; W40-M230 HydrophobicContact CE3-CE 4.05Å; W40-M230 HydrophobicContact CE3-SD 4.44Å; W40-M230 HydrophobicContact CG-CE 3.9Å; W40-M230 HydrophobicContact CH2-CB 3.99Å; W40-M230 VanDerWaalsContact CZ2-C 3.47Å; W40-M230 HydrophobicContact CZ2-CB 3.55Å; W40-M230 HydrophobicContact CZ3-CB 4.31Å; W40-M230 PolarHBondContact NE1-O 3.36Å; W40-A231 HydrophobicContact CZ2-CB 3.99Å; W40-A231 VanDerWaalsContact CZ2-N 3.28Å; W40-F234 PolarHBondContact NE1-O 2.63Å
41R91.7Very high81.9Confident10 Ų1077.4 Ų77.44%0.03838%0.38CS..Hα-helixtrans-67-44.9171.7-161.7-164.8-62.5-106.217.6112.6T39 N44 R45 G58 G63 D64 D236T39-R41 PolarHBondContact O-N 2.83Å; R41-N44 PolarHBondContact O-N 3.31Å; R41-R45 HydrophobicContact CG-CG 4.35Å; R41-R45 WeakPolarHBondContact O-CB 3.34Å; R41-R45 VanDerWaalsContact O-CG 3.32Å; R41-R45 WeakPolarHBondContact O-CG 3.26Å; R41-R45 PolarHBondContact O-N 3.45Å; R41-G58 PolarHBondContact NH1-O 3.03Å; R41-G58 PolarHBondContact NH2-O 3.38Å; R41-G63 PolarHBondContact N-O 2.87Å; R41-G63 VanDerWaalsContact N-O 3.16Å; R41-D64 WeakPolarHBondContact CD-OD1 3.26Å; R41-D64 IonicContact CZ-OD1 2.73Å; R41-D64 IonicContact CZ-OD2 2.86Å; R41-D64 IonicContact NE-OD1 3.98Å; R41-D64 PolarHBondContact NE-OD1 3.19Å; R41-D64 IonicContact NE-OD2 2.89Å; R41-D64 PolarHBondContact NE-OD2 3.43Å; R41-D64 IonicContact NH2-OD1 3.36Å; R41-D64 IonicContact NH2-OD2 3.35Å; R41-D64 PolarHBondContact NH2-OD2 3.26Å; R41-D236 IonicContact CZ-OD1 2.67Å; R41-D236 IonicContact CZ-OD2 3.77Å; R41-D236 IonicContact NE-OD2 3.19Å; R41-D236 IonicContact NH1-OD1 2.62Å; R41-D236 PolarHBondContact NH1-OD1 3.18Å; R41-D236 IonicContact NH1-OD2 2.68Å; R41-D236 PolarHBondContact NH1-OD2 3.35Å
42E91.8Very high79.4Confident96 Ų9679.7 Ų79.745%0.44940%0.395SS..Hα-helixtrans-67.5-39.7-179.6-72.9156.914100112.5P38 T39 R45 S46P38-E42 HydrophobicContact CB-CB 4.11Å; T39-E42 VanDerWaalsContact CB-OE2 3.28Å; T39-E42 WeakPolarHBondContact CB-OE2 3.44Å; T39-E42 VanDerWaalsContact CG2-OE2 3.29Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.1Å; T39-E42 PolarHBondContact N-OE2 3.01Å; T39-E42 PolarHBondContact O-N 3.2Å; T39-E42 VanDerWaalsContact O-N 3.14Å; T39-E42 WeakPolarHBondContact OG1-CB 3.37Å; T39-E42 VanDerWaalsContact OG1-CG 3.22Å; T39-E42 WeakPolarHBondContact OG1-CG 3.31Å; T39-E42 PolarHBondContact OG1-N 3.29Å; T39-E42 PolarHBondContact OG1-OE2 3.38Å; E42-R45 PolarHBondContact O-N 3.09Å; E42-S46 WeakPolarHBondContact O-CB 3.48Å; E42-S46 PolarHBondContact O-N 3.17Å; E42-S46 PolarHBondContact O-OG 3.13Å
43E88.6Confident77Confident58 Ų5888.2 Ų88.227%0.27143%0.433SS..Hα-helixtrans-58.1-46.1170.9172.365.2-177.400111.2T39 W40 S46 R47 K227T39-E43 PolarHBondContact O-N 3.26Å; W40-E43 HydrophobicContact CE3-CG 4.2Å; W40-E43 HydrophobicContact CZ3-CG 4.03Å; E43-S46 PolarHBondContact O-N 3.08Å; E43-R47 WeakPolarHBondContact O-CG 3.22Å; E43-R47 PolarHBondContact O-N 3.29Å; E43-K227 WeakPolarHBondContact OE1-CE 3.48Å; E43-K227 IonicContact OE1-NZ 3.78Å; E43-K227 PolarHBondContact OE1-NZ 3.23Å
44N81.2Confident74.6Confident29 Ų2992 Ų9216%0.15545%0.449CS..Hα-helixtrans-72.9-40178-75.2-41.5000113.8W40 R41 S46 R47 N48W40-N44 VanDerWaalsContact CZ2-ND2 3.34Å; W40-N44 WeakPolarHBondContact CZ2-ND2 3.22Å; W40-N44 PolarHBondContact NE1-ND2 2.77Å; W40-N44 WeakPolarHBondContact O-CB 3.31Å; W40-N44 PolarHBondContact O-N 2.9Å; W40-N44 VanDerWaalsContact O-N 3.13Å; W40-N44 PolarHBondContact O-ND2 3.05Å; R41-N44 PolarHBondContact O-N 3.31Å; N44-S46 PolarHBondContact O-N 3.13Å; N44-R47 WeakPolarHBondContact O-CB 3.45Å; N44-R47 PolarHBondContact O-N 3.19Å; N44-R47 PolarHBondContact OD1-NH1 2.91Å; N44-N48 PolarHBondContact O-N 3.47Å; N44-N48 VanDerWaalsContact O-N 3.16Å
45R74.3Confident72.2Confident115 Ų115100 Ų10043%0.43449%0.486SS..Hα-helixtrans-58.8-35.7173.4-78.4176.4172.4-165.3-4.3111.5R41 E42 R47 N48R41-R45 HydrophobicContact CG-CG 4.35Å; R41-R45 WeakPolarHBondContact O-CB 3.34Å; R41-R45 VanDerWaalsContact O-CG 3.32Å; R41-R45 WeakPolarHBondContact O-CG 3.26Å; R41-R45 PolarHBondContact O-N 3.45Å; E42-R45 PolarHBondContact O-N 3.09Å; R45-R47 VanDerWaalsContact C-N 3.27Å; R45-R47 PolarHBondContact O-N 3.14Å; R45-N48 PolarHBondContact O-N 3.27Å
46S60.1Low69.9Low73 Ų7398.4 Ų98.451%0.5148%0.476SS..Hα-helixtrans-69.2-23.8177.1-59.80000113.3E42 E43 N44E42-S46 WeakPolarHBondContact O-CB 3.48Å; E42-S46 PolarHBondContact O-N 3.17Å; E42-S46 PolarHBondContact O-OG 3.13Å; E43-S46 PolarHBondContact O-N 3.08Å; N44-S46 PolarHBondContact O-N 3.13Å
47R57.9Low67.2Low137 Ų137100.1 Ų100.152%0.51749%0.493SS..Hα-helixtrans-80.9-33.3173.8-65.1166.458.7-151.2-4.2113.1E43 N44 R45 K49E43-R47 WeakPolarHBondContact O-CG 3.22Å; E43-R47 PolarHBondContact O-N 3.29Å; N44-R47 WeakPolarHBondContact O-CB 3.45Å; N44-R47 PolarHBondContact O-N 3.19Å; N44-R47 PolarHBondContact OD1-NH1 2.91Å; R45-R47 VanDerWaalsContact C-N 3.27Å; R45-R47 PolarHBondContact O-N 3.14Å; R47-K49 VanDerWaalsContact C-N 3.34Å; R47-K49 PolarHBondContact O-N 3.49Å
48N55.2Low64.7Low105 Ų105101.8 Ų101.856%0.56151%0.512SS*.SBendtrans-84.8-1-174.9-68.19000113.8N44 R45 E50 D51N44-N48 PolarHBondContact O-N 3.47Å; N44-N48 VanDerWaalsContact O-N 3.16Å; R45-N48 PolarHBondContact O-N 3.27Å; N48-E50 PolarHBondContact O-N 2.76Å; N48-D51 CarbonylContact O-C 3.54Å; N48-D51 PolarHBondContact O-N 2.99Å
49K51.1Low62.7Low173 Ų173102.5 Ų102.575%0.75253%0.53SS*.THydrogen-bonded Turntrans-63.5-1.5-176.8-85.4175.6-179.8173.70116.4R47R47-K49 VanDerWaalsContact C-N 3.34Å; R47-K49 PolarHBondContact O-N 3.49Å
50E50.6Low61.2Low190 Ų190104.3 Ų104.389%0.88855%0.551SS**THydrogen-bonded Turntrans-88.8-18.6169.5-61.3-169.4150.300112.8N48N48-E50 PolarHBondContact O-N 2.76Å
51D48.3Very low60.5Low137 Ų137104.7 Ų104.773%0.73356%0.555SS**SBendtrans-135.4124.6179.4-81.1-55000112.1N48N48-D51 CarbonylContact O-C 3.54Å; N48-D51 PolarHBondContact O-N 2.99Å
52D43.9Very low60.4Low121 Ų121104.5 Ų104.565%0.64756%0.555SS**  trans74.6101.1174.5-108.3-12.4000118.8K54D52-K54 HydrophobicContact CB-CG 4.44Å; D52-K54 PolarHBondContact O-N 3.32Å; D52-K54 IonicContact OD1-NZ 2.67Å; D52-K54 PolarHBondContact OD1-NZ 3.27Å; D52-K54 IonicContact OD2-NZ 3.83Å; D52-K54 PolarHBondContact OD2-NZ 3.12Å
53E47.6Very low60.4Low210 Ų210100 Ų10098%0.98153%0.534SS*.  trans-70.764.8158.3-69.7-172.6125.100111.1
54K47.8Very low60.6Low138 Ų13899 Ų9960%0.653%0.53SS*.  trans-120.4106173-68.2-166.2-175.778.90111.2D52 L56D52-K54 HydrophobicContact CB-CG 4.44Å; D52-K54 PolarHBondContact O-N 3.32Å; D52-K54 IonicContact OD1-NZ 2.67Å; D52-K54 PolarHBondContact OD1-NZ 3.27Å; D52-K54 IonicContact OD2-NZ 3.83Å; D52-K54 PolarHBondContact OD2-NZ 3.12Å; K54-L56 PolarHBondContact O-N 3.01Å
55E45.2Very low61.3Low192 Ų19299 Ų9990%0.89753%0.529SS*.  trans-64.1105.4162.7-66.1-164.7143.200109.2P57E55-P57 VanDerWaalsContact O-CD 3.29Å; E55-P57 WeakPolarHBondContact O-CD 3.34Å
56L47.5Very low62.5Low106 Ų10693.6 Ų93.656%0.55551%0.509SS*.  trans-69.4115.6166-74.1171.5000108.7K54 G58K54-L56 PolarHBondContact O-N 3.01Å; L56-G58 PolarHBondContact O-N 3.32Å
57P40.6Very low64.3Low134 Ų13490.1 Ų90.187%0.8748%0.484SS*.SBendtrans-80.291.8-176.132.5-33000110.1E55E55-P57 VanDerWaalsContact O-CD 3.29Å; E55-P57 WeakPolarHBondContact O-CD 3.34Å
58G46.8Very low66.2Low41 Ų4184.7 Ų84.742%0.42347%0.466SS..  trans17677.7-179.200000114.1R41 L56R41-G58 PolarHBondContact NH1-O 3.03Å; R41-G58 PolarHBondContact NH2-O 3.38Å; L56-G58 PolarHBondContact O-N 3.32Å
59G54Low68.3Low76 Ų7681.9 Ų81.978%0.78445%0.448SS*.  trans-79.9146162.200000110.9
60G64.8Low70.5Confident48 Ų4878 Ų7850%0.49543%0.431SS..SBendtrans109.44.9-174.900000114.8D64G60-D64 WeakPolarHBondContact CA-OD2 3.1Å; G60-D64 PolarHBondContact N-OD2 3.03Å
61G81.2Confident72.8Confident10 Ų1070 Ų7010%0.10340%0.399CS..SBendtrans-72.2166.1177.100000112.8G63 D64G61-G63 PolarHBondContact O-N 2.83Å; G61-D64 PolarHBondContact N-OD2 3.41Å; G61-D64 WeakPolarHBondContact O-CB 3.37Å; G61-D64 PolarHBondContact O-N 3.34Å
62L89.5Confident75.2Confident6 Ų666.6 Ų66.63%0.03138%0.381CS..G310 helixtrans-58.9-33.4-177.3-162.674.4000112.7D64 K65 K200 I203 E204 F234L62-D64 PolarHBondContact O-N 3.38Å; L62-K65 PolarHBondContact O-N 3.09Å; L62-K65 VanDerWaalsContact O-N 3.14Å; L62-K200 HydrophobicContact CD2-CB 4.25Å; L62-K200 HydrophobicContact CD2-CD 3.73Å; L62-K200 HydrophobicContact CD2-CG 3.67Å; L62-I203 HydrophobicContact CD1-CB 3.88Å; L62-I203 HydrophobicContact CD1-CG2 3.54Å; L62-E204 HydrophobicContact CD1-CG 4.21Å; L62-F234 HydrophobicContact CB-CD1 4.4Å; L62-F234 HydrophobicContact CD2-CD1 3.39Å; L62-F234 HydrophobicContact CD2-CE1 3.58Å; L62-F234 HydrophobicContact CD2-CG 4.42Å; L62-F234 HydrophobicContact CG-CD1 3.62Å; L62-F234 HydrophobicContact CG-CE1 3.84Å
63G92.3Very high77.8Confident0 Ų061.1 Ų61.10%035%0.351CS..G310 helixtrans-65.7-16.517500000115.6W40 R41 G61W40-G63 PolarHBondContact N-O 3.46Å; R41-G63 PolarHBondContact N-O 2.87Å; R41-G63 VanDerWaalsContact N-O 3.16Å; G61-G63 PolarHBondContact O-N 2.83Å
64D93.2Very high80.2Confident37 Ų3751.4 Ų51.420%0.19831%0.307CS..G310 helixtrans-81.3-21.4173.5-58.6-45.2000112.1T39 R41 G60 G61 L62 R212T39-D64 VanDerWaalsContact CG2-O 3.28Å; T39-D64 WeakPolarHBondContact CG2-O 3.22Å; R41-D64 WeakPolarHBondContact CD-OD1 3.26Å; R41-D64 IonicContact CZ-OD1 2.73Å; R41-D64 IonicContact CZ-OD2 2.86Å; R41-D64 IonicContact NE-OD1 3.98Å; R41-D64 PolarHBondContact NE-OD1 3.19Å; R41-D64 IonicContact NE-OD2 2.89Å; R41-D64 PolarHBondContact NE-OD2 3.43Å; R41-D64 IonicContact NH2-OD1 3.36Å; R41-D64 IonicContact NH2-OD2 3.35Å; R41-D64 PolarHBondContact NH2-OD2 3.26Å; G60-D64 WeakPolarHBondContact CA-OD2 3.1Å; G60-D64 PolarHBondContact N-OD2 3.03Å; G61-D64 PolarHBondContact N-OD2 3.41Å; G61-D64 WeakPolarHBondContact O-CB 3.37Å; G61-D64 PolarHBondContact O-N 3.34Å; L62-D64 PolarHBondContact O-N 3.38Å; D64-R212 PolarHBondContact O-NE 2.99Å
65K96.1Very high82.6Confident31 Ų3146.3 Ų46.314%0.13529%0.287CS..SBendtrans-97-0.4-175.1-60.5-174.1-175.3-177.20113.4L62 I203 S207 R212 V213L62-K65 PolarHBondContact O-N 3.09Å; L62-K65 VanDerWaalsContact O-N 3.14Å; K65-I203 HydrophobicContact CB-CD1 4.47Å; K65-I203 HydrophobicContact CB-CG2 4.12Å; K65-I203 HydrophobicContact CD-CG2 3.63Å; K65-I203 HydrophobicContact CG-CG2 4.5Å; K65-S207 PolarHBondContact NZ-O 3.37Å; K65-S207 PolarHBondContact NZ-OG 2.93Å; K65-R212 CarbonylContact O-C 3.16Å; K65-R212 WeakPolarHBondContact O-CA 3.26Å; K65-V213 PolarHBondContact O-N 2.77Å
66V97.9Very high85.2Confident0 Ų037.1 Ų37.10%024%0.244CC..EExtended strand (participates in β ladder)trans-128.3148.3176.7-620000112.7W40 V199 I203 V213 F215 M230 F234W40-V66 HydrophobicContact CB-CG2 3.8Å; W40-V66 WeakPolarHBondContact CB-O 3.34Å; W40-V66 HydrophobicContact CG-CG2 4.39Å; W40-V66 PolarHBondContact N-O 2.99Å; V66-V199 HydrophobicContact CG1-CG1 4.35Å; V66-I203 HydrophobicContact CG1-CD1 3.62Å; V66-V213 CarbonylContact C-O 3.54Å; V66-V213 VanDerWaalsContact CA-O 3.27Å; V66-V213 WeakPolarHBondContact CA-O 3.42Å; V66-V213 HydrophobicContact CG1-CB 4.49Å; V66-F215 HydrophobicContact CB-CE2 4.19Å; V66-F215 HydrophobicContact CG1-CE2 4.15Å; V66-M230 HydrophobicContact CB-CE 4.12Å; V66-M230 HydrophobicContact CG2-CE 3.77Å; V66-F234 HydrophobicContact CB-CD1 4.45Å; V66-F234 HydrophobicContact CB-CE1 4.36Å; V66-F234 HydrophobicContact CG1-CD1 4.06Å; V66-F234 HydrophobicContact CG1-CE1 3.57Å; V66-F234 HydrophobicContact CG1-CZ 4.03Å; V66-F234 HydrophobicContact CG2-CB 4.32Å; V66-F234 HydrophobicContact CG2-CD1 3.56Å; V66-F234 HydrophobicContact CG2-CD2 4.4Å; V66-F234 HydrophobicContact CG2-CE1 3.94Å; V66-F234 HydrophobicContact CG2-CG 3.84Å
67S98.6Very high87.6Confident0 Ų032.3 Ų32.30%022%0.218CC..EExtended strand (participates in β ladder)trans-133149.6172.8-71.70000110.5P38 R212 V213 F215P38-S67 WeakPolarHBondContact O-CB 3.48Å; P38-S67 PolarHBondContact O-OG 2.78Å; S67-R212 WeakPolarHBondContact OG-CD 3.24Å; S67-R212 PolarHBondContact OG-NH1 3.41Å; S67-V213 PolarHBondContact N-O 2.83Å; S67-F215 PolarHBondContact O-N 3.48Å
68L98.6Very high90.4Very high24 Ų2426 Ų2613%0.12618%0.178CC..EExtended strand (participates in β ladder)trans-110.1115.1166.4-179.859.3000108.3W40 F215 V217 F223 Y226 K227 M230W40-L68 HydrophobicContact CE3-CB 4.39Å; W40-L68 HydrophobicContact CZ3-CB 4.49Å; W40-L68 HydrophobicContact CZ3-CD2 4.35Å; L68-F215 HydrophobicContact CD1-CB 4.07Å; L68-V217 HydrophobicContact CD1-CG1 3.9Å; L68-V217 HydrophobicContact CD1-CG2 4Å; L68-F223 HydrophobicContact CD1-CD2 4.34Å; L68-F223 HydrophobicContact CD2-CD2 3.81Å; L68-F223 HydrophobicContact CD2-CE2 3.74Å; L68-F223 HydrophobicContact CG-CD2 3.9Å; L68-F223 HydrophobicContact CG-CE2 3.84Å; L68-Y226 HydrophobicContact CD1-CD1 4.34Å; L68-Y226 HydrophobicContact CD1-CG 4.29Å; L68-K227 HydrophobicContact CD2-CB 3.69Å; L68-K227 HydrophobicContact CD2-CG 4.39Å; L68-M230 HydrophobicContact CB-CE 4.38Å; L68-M230 HydrophobicContact CB-SD 3.88Å; L68-M230 HydrophobicContact CD1-SD 4.38Å; L68-M230 HydrophobicContact CD2-SD 4.37Å; L68-M230 HydrophobicContact CG-SD 4.43Å
69Y98.6Very high92.8Very high46 Ų4624.4 Ų24.418%0.1816%0.16CC..EExtended strand (participates in β ladder)trans-118.6135.7179.5176-92.3000109.2T32 I37 L76 F215 C216 V217T32-Y69 HydrophobicContact CG2-CE2 4.25Å; I37-Y69 HydrophobicContact CD1-CD2 4.32Å; I37-Y69 HydrophobicContact CG1-CD2 4.15Å; I37-Y69 HydrophobicContact CG1-CE2 4.48Å; I37-Y69 HydrophobicContact CG2-CD2 4.38Å; Y69-L76 HydrophobicContact CD1-CD1 4.41Å; Y69-L76 HydrophobicContact CD1-CD2 4.1Å; Y69-L76 HydrophobicContact CE1-CD2 3.74Å; Y69-L76 HydrophobicContact CE2-CD2 4.19Å; Y69-L76 HydrophobicContact CG-CD2 4.47Å; Y69-F215 PolarHBondContact N-O 3.17Å; Y69-F215 VanDerWaalsContact O-O 3.05Å; Y69-C216 CarbonylContact O-C 3.49Å; Y69-C216 WeakPolarHBondContact O-CA 2.99Å; Y69-V217 WeakPolarHBondContact O-CG2 3.47Å; Y69-V217 PolarHBondContact O-N 2.71Å
70K98.5Very high95Very high92 Ų9220.8 Ų20.840%0.412%0.122SC..EExtended strand (participates in β ladder)trans-112.6114.7174-173-169.4175-161.30110V217 F218 E220 F223K70-V217 VanDerWaalsContact CA-O 3.28Å; K70-V217 WeakPolarHBondContact CA-O 3.34Å; K70-V217 HydrophobicContact CB-CG2 4.03Å; K70-V217 HydrophobicContact CG-CG2 4.17Å; K70-F218 VanDerWaalsContact CE-O 3.24Å; K70-F218 WeakPolarHBondContact CE-O 3.22Å; K70-E220 IonicContact NZ-OE2 2.73Å; K70-E220 PolarHBondContact NZ-OE2 2.82Å; K70-F223 HydrophobicContact CB-CD2 3.85Å; K70-F223 HydrophobicContact CB-CE2 4.22Å; K70-F223 HydrophobicContact CB-CG 4.39Å; K70-F223 HydrophobicContact CD-CB 4.17Å; K70-F223 HydrophobicContact CD-CD2 4.49Å; K70-F223 HydrophobicContact CD-CG 4.2Å
71G97.8Very high96.6Very high22 Ų2218.5 Ų18.523%0.22710%0.099CC..SBendtrans166.2-159.6-179.200000113.7V217G71-V217 PolarHBondContact N-O 3.42Å; G71-V217 VanDerWaalsContact N-O 3.09Å
72D98.2Very high97.4Very high64 Ų6418 Ų1834%0.3429%0.094SC..  trans-78.6132.9173-168.2-25.1000109.6T74 V75D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 WeakPolarHBondContact OD1-CB 3.46Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.36Å; D72-T74 PolarHBondContact OD1-N 2.86Å; D72-T74 PolarHBondContact OD1-OG1 2.89Å; D72-T74 PolarHBondContact OD2-OG1 3.19Å; D72-V75 HydrophobicContact CB-CG2 4.42Å; D72-V75 WeakPolarHBondContact O-CG2 3.4Å
73I98.7Very high97.9Very high6 Ų617.8 Ų17.83%0.0319%0.092CC..G310 helixtrans-76-23.4177.2-160.3170.9000112V75 L76 I81 V95 I99 A175 P177 C216I73-V75 VanDerWaalsContact C-N 3.25Å; I73-V75 PolarHBondContact O-N 3.2Å; I73-L76 HydrophobicContact CG1-CD1 4.09Å; I73-L76 PolarHBondContact O-N 2.68Å; I73-I81 HydrophobicContact CD1-CB 4.18Å; I73-I81 HydrophobicContact CG1-CB 4.08Å; I73-I81 HydrophobicContact CG1-CG2 4.02Å; I73-I81 HydrophobicContact CG2-CD1 4.45Å; I73-V95 HydrophobicContact CG2-CG2 3.64Å; I73-I99 HydrophobicContact CG2-CD1 4.11Å; I73-I99 HydrophobicContact CG2-CG1 4.18Å; I73-A175 HydrophobicContact CD1-CB 4.22Å; I73-A175 HydrophobicContact CG1-CB 4.19Å; I73-P177 HydrophobicContact CD1-CB 4.23Å; I73-P177 HydrophobicContact CD1-CG 4.33Å; I73-C216 HydrophobicContact CB-CB 4.37Å; I73-C216 VanDerWaalsContact CB-SG 3.59Å; I73-C216 HydrophobicContact CD1-CB 4.07Å; I73-C216 HydrophobicContact CG1-CB 3.99Å
74T98.7Very high98.2Very high7 Ų718.9 Ų18.94%0.04310%0.101CC..G310 helixtrans-75.2-10.7-173.267.10000114.1D72 C98 I99 A102 L130 P131D72-T74 VanDerWaalsContact C-N 3.32Å; D72-T74 WeakPolarHBondContact OD1-CB 3.46Å; D72-T74 WeakPolarHBondContact OD1-CG2 3.36Å; D72-T74 PolarHBondContact OD1-N 2.86Å; D72-T74 PolarHBondContact OD1-OG1 2.89Å; D72-T74 PolarHBondContact OD2-OG1 3.19Å; T74-C98 HydrophobicContact CG2-CB 4.23Å; T74-I99 HydrophobicContact CG2-CG1 3.89Å; T74-A102 HydrophobicContact CG2-CB 3.86Å; T74-L130 HydrophobicContact CG2-CD2 4.18Å; T74-L130 WeakPolarHBondContact O-CD2 3.33Å; T74-P131 VanDerWaalsContact O-CD 3.22Å; T74-P131 WeakPolarHBondContact O-CD 3.22Å
75V98.3Very high98.3Very high30 Ų3017.1 Ų17.118%0.1829%0.092CC..G310 helixtrans-96.5-2.7176.9-58.10000113.5G30 F31 T32 D72 I73 E77G30-V75 WeakPolarHBondContact O-CG1 3.49Å; F31-V75 CarbonylContact C-O 3.57Å; F31-V75 VanDerWaalsContact CA-O 3.26Å; F31-V75 WeakPolarHBondContact CA-O 3.49Å; T32-V75 PolarHBondContact N-O 2.68Å; D72-V75 HydrophobicContact CB-CG2 4.42Å; D72-V75 WeakPolarHBondContact O-CG2 3.4Å; I73-V75 VanDerWaalsContact C-N 3.25Å; I73-V75 PolarHBondContact O-N 3.2Å; V75-E77 PolarHBondContact O-N 3.06Å
76L98.6Very high98.4Very high0 Ų017.4 Ų17.40%010%0.095CC..EExtended strand (participates in β ladder)trans-79.5119.4-173.7-59.6-175000112.1I37 Y69 I73 V78 I81 A132 A175 C216I37-L76 HydrophobicContact CD1-CD2 3.8Å; Y69-L76 HydrophobicContact CD1-CD1 4.41Å; Y69-L76 HydrophobicContact CD1-CD2 4.1Å; Y69-L76 HydrophobicContact CE1-CD2 3.74Å; Y69-L76 HydrophobicContact CE2-CD2 4.19Å; Y69-L76 HydrophobicContact CG-CD2 4.47Å; I73-L76 HydrophobicContact CG1-CD1 4.09Å; I73-L76 PolarHBondContact O-N 2.68Å; L76-V78 HydrophobicContact CB-CG2 4.22Å; L76-V78 PolarHBondContact O-N 2.9Å; L76-V78 VanDerWaalsContact O-N 3.1Å; L76-I81 HydrophobicContact CB-CG2 4.44Å; L76-A132 PolarHBondContact O-N 3.14Å; L76-A175 HydrophobicContact CD1-CB 3.6Å; L76-C216 HydrophobicContact CD1-CB 4.19Å
77E98.5Very high98.3Very high4 Ų421.4 Ų21.42%0.01912%0.12CC..EExtended strand (participates in β ladder)trans-84.780.7175-166.5-175.7-127.700111.1R24 Y27 F31 T32 V75 P131R24-E77 VanDerWaalsContact CG-OE1 3.26Å; R24-E77 WeakPolarHBondContact CG-OE1 3.46Å; R24-E77 IonicContact CZ-OE1 3.81Å; R24-E77 IonicContact CZ-OE2 3.83Å; R24-E77 IonicContact NE-OE1 3.47Å; R24-E77 PolarHBondContact NE-OE1 3.47Å; R24-E77 IonicContact NE-OE2 3.65Å; R24-E77 PolarHBondContact NE-OE2 2.85Å; R24-E77 IonicContact NH2-OE1 3.39Å; R24-E77 IonicContact NH2-OE2 2.68Å; R24-E77 PolarHBondContact NH2-OE2 2.58Å; Y27-E77 WeakPolarHBondContact CE2-OE1 3.4Å; Y27-E77 PolarHBondContact OH-OE1 2.93Å; F31-E77 HydrophobicContact CD2-CB 4.13Å; T32-E77 PolarHBondContact O-N 3.29Å; V75-E77 PolarHBondContact O-N 3.06Å; E77-P131 HydrophobicContact CB-CB 3.97Å; E77-P131 HydrophobicContact CG-CB 4.28Å
78V98.8Very high98.3Very high2 Ų223.5 Ų23.51%0.01213%0.134CC..SBendtrans-125.8170.5178.5-69.80000111.1L34 L76 A80 I81 A132 R133 A175 I214L34-V78 HydrophobicContact CD1-CG1 4.42Å; L76-V78 HydrophobicContact CB-CG2 4.22Å; L76-V78 PolarHBondContact O-N 2.9Å; L76-V78 VanDerWaalsContact O-N 3.1Å; V78-A80 WeakPolarHBondContact CG2-O 3.17Å; V78-I81 HydrophobicContact CG2-CG2 3.67Å; V78-A132 VanDerWaalsContact O-CA 3.29Å; V78-A132 WeakPolarHBondContact O-CA 3.2Å; V78-R133 PolarHBondContact O-N 3.18Å; V78-A175 HydrophobicContact CG2-CB 4.4Å; V78-I214 HydrophobicContact CG1-CD1 3.8Å
79D98.8Very high98.2Very high8 Ų822.4 Ų22.44%0.04313%0.128CC..SBendtrans-69.6-37.6178.1-56.5-58.8000111.5R20 R133 Y134 L171 R172 T173R20-D79 IonicContact NH2-OD1 2.74Å; R20-D79 PolarHBondContact NH2-OD1 3.37Å; R20-D79 IonicContact NH2-OD2 3.73Å; D79-R133 WeakPolarHBondContact O-CB 3.48Å; D79-R133 PolarHBondContact O-N 3.09Å; D79-R133 WeakPolarHBondContact OD1-CD 3.25Å; D79-R133 IonicContact OD1-NH1 3.53Å; D79-R133 PolarHBondContact OD1-NH1 3.14Å; D79-Y134 WeakPolarHBondContact O-CD2 3.33Å; D79-Y134 PolarHBondContact O-N 3.46Å; D79-L171 HydrophobicContact CB-CB 3.88Å; D79-L171 HydrophobicContact CB-CD2 4.21Å; D79-L171 HydrophobicContact CB-CG 4.45Å; D79-R172 PolarHBondContact OD2-N 2.7Å; D79-R172 VanDerWaalsContact OD2-N 3.14Å; D79-T173 VanDerWaalsContact CG-OG1 3.29Å; D79-T173 PolarHBondContact N-O 2.95Å; D79-T173 PolarHBondContact N-OG1 3.47Å; D79-T173 PolarHBondContact OD2-N 3.08Å; D79-T173 PolarHBondContact OD2-OG1 3.28Å
80A98.9Very high98Very high0 Ų022.5 Ų22.50%013%0.132CC..EExtended strand (participates in β ladder)trans-138.5143.8171.400000113.9V78 Y134 I136 L171 T173 V174 A175V78-A80 WeakPolarHBondContact CG2-O 3.17Å; A80-Y134 WeakPolarHBondContact CA-O 3.24Å; A80-I136 HydrophobicContact CB-CD1 3.73Å; A80-I136 HydrophobicContact CB-CG1 4.09Å; A80-L171 HydrophobicContact CB-CD1 3.94Å; A80-T173 PolarHBondContact N-O 3.1Å; A80-V174 HydrophobicContact CB-CG2 4.2Å; A80-V174 CarbonylContact O-C 3.5Å; A80-V174 VanDerWaalsContact O-CA 3.25Å; A80-V174 WeakPolarHBondContact O-CA 2.89Å; A80-A175 PolarHBondContact O-N 3.11Å
81I98.9Very high97.8Very high0 Ų018.7 Ų18.70%012%0.119CC..EExtended strand (participates in β ladder)trans-107.6147.2157.663.9170.8000109.7I73 L76 V78 I99 L130 A132 Y134 V135 I136 A175I73-I81 HydrophobicContact CD1-CB 4.18Å; I73-I81 HydrophobicContact CG1-CB 4.08Å; I73-I81 HydrophobicContact CG1-CG2 4.02Å; I73-I81 HydrophobicContact CG2-CD1 4.45Å; L76-I81 HydrophobicContact CB-CG2 4.44Å; V78-I81 HydrophobicContact CG2-CG2 3.67Å; I81-I99 HydrophobicContact CD1-CD1 4.01Å; I81-I99 HydrophobicContact CD1-CG1 3.94Å; I81-L130 HydrophobicContact CD1-CD1 3.8Å; I81-L130 HydrophobicContact CD1-CD2 4.35Å; I81-L130 HydrophobicContact CG1-CD1 4.43Å; I81-A132 HydrophobicContact CB-CB 4.4Å; I81-A132 HydrophobicContact CD1-CB 4.46Å; I81-A132 HydrophobicContact CG1-CB 4Å; I81-A132 HydrophobicContact CG2-CB 3.81Å; I81-Y134 PolarHBondContact N-O 3.16Å; I81-Y134 VanDerWaalsContact N-O 3.12Å; I81-V135 HydrophobicContact CD1-CG2 4.41Å; I81-V135 HydrophobicContact CG1-CG2 4.01Å; I81-V135 WeakPolarHBondContact O-CA 3.34Å; I81-I136 PolarHBondContact O-N 2.92Å; I81-A175 HydrophobicContact CG2-CB 4.22Å
82V98.9Very high97.6Very high0 Ų019.9 Ų19.90%013%0.131CC..EExtended strand (participates in β ladder)trans-95.7130.7178.2178.50000109.7I136 T138 V174 A175 F176 P177 I179V82-I136 CarbonylContact C-O 3.56Å; V82-I136 VanDerWaalsContact CA-O 3.24Å; V82-I136 WeakPolarHBondContact CA-O 3.48Å; V82-I136 HydrophobicContact CG2-CB 4.27Å; V82-T138 HydrophobicContact CG1-CG2 3.64Å; V82-V174 HydrophobicContact CG2-CG2 3.71Å; V82-A175 WeakPolarHBondContact CB-O 3.15Å; V82-A175 PolarHBondContact N-O 3.17Å; V82-F176 HydrophobicContact CB-CD1 3.96Å; V82-F176 HydrophobicContact CB-CE1 4.24Å; V82-F176 HydrophobicContact CB-CG 4.42Å; V82-F176 HydrophobicContact CG1-CD1 3.95Å; V82-F176 HydrophobicContact CG1-CE1 4.07Å; V82-F176 HydrophobicContact CG2-CD1 3.77Å; V82-F176 HydrophobicContact CG2-CD2 4.38Å; V82-F176 HydrophobicContact CG2-CE1 3.65Å; V82-F176 HydrophobicContact CG2-CE2 4.27Å; V82-F176 HydrophobicContact CG2-CG 4.14Å; V82-F176 HydrophobicContact CG2-CZ 3.91Å; V82-P177 WeakPolarHBondContact O-CD 3.45Å; V82-P177 WeakPolarHBondContact O-CG 3.4Å; V82-I179 HydrophobicContact CG1-CD1 4.2Å
83N98.9Very high97.4Very high0 Ų019.4 Ų19.40%014%0.142CC..EExtended strand (participates in β ladder)trans-97.1125.9172.7-175.510000109.8A85 D96 I99 V135 I136 H137 T138N83-A85 PolarHBondContact O-N 3.49Å; N83-D96 PolarHBondContact ND2-OD1 2.96Å; N83-D96 VanDerWaalsContact OD1-CA 3.27Å; N83-D96 WeakPolarHBondContact OD1-CA 3.34Å; N83-I99 HydrophobicContact CB-CD1 3.73Å; N83-V135 HydrophobicContact CB-CG1 3.72Å; N83-I136 PolarHBondContact N-O 2.71Å; N83-H137 HydrophobicContact CB-CB 4.46Å; N83-H137 PolarHBondContact ND2-ND1 3.44Å; N83-T138 PolarHBondContact O-N 3.41Å
84A97.9Very high97.2Very high23 Ų2322.1 Ų22.119%0.1917%0.171CC..EExtended strand (participates in β ladder)trans-80.772169.600000109.1V95 P177 I179A84-V95 HydrophobicContact CB-CG1 3.92Å; A84-P177 HydrophobicContact CB-CG 4.15Å; A84-I179 HydrophobicContact CB-CB 4.49Å; A84-I179 HydrophobicContact CB-CG1 4.19Å; A84-I179 HydrophobicContact CB-CG2 4.44Å
85A97.2Very high97.2Very high1 Ų123.9 Ų23.91%0.00818%0.182CC..EExtended strand (participates in β ladder)trans-82.7170-168.600000112.9N83 L89 H137 T138 V139N83-A85 PolarHBondContact O-N 3.49Å; A85-L89 HydrophobicContact CB-CD2 3.85Å; A85-H137 HydrophobicContact CB-CB 4.07Å; A85-T138 PolarHBondContact N-O 2.9Å; A85-V139 WeakPolarHBondContact O-CA 3.26Å
86N96.6Very high97.2Very high37 Ų3722.8 Ų22.820%0.19818%0.175CC..  trans-98.6168.616973.191.2000112.2S88 L89 G91 D96 V139 Y184N86-S88 PolarHBondContact O-N 3.3Å; N86-S88 WeakPolarHBondContact OD1-CB 3.33Å; N86-S88 PolarHBondContact OD1-N 3.03Å; N86-S88 VanDerWaalsContact OD1-N 3.16Å; N86-S88 PolarHBondContact OD1-OG 3.31Å; N86-L89 PolarHBondContact O-N 2.81Å; N86-G91 PolarHBondContact ND2-O 3.47Å; N86-D96 PolarHBondContact ND2-OD2 2.9Å; N86-V139 WeakPolarHBondContact O-CG2 3.39Å; N86-Y184 WeakPolarHBondContact CA-OH 3.48Å; N86-Y184 WeakPolarHBondContact CB-OH 3.43Å
87T97.4Very high97.2Very high84 Ų8423.8 Ų23.852%0.51519%0.185SC..THydrogen-bonded Turntrans-59.5-20.1-173.3500000115.2G116 C117 V139T87-G116 CarbonylContact O-C 3.56Å; T87-G116 WeakPolarHBondContact O-CA 3.4Å; T87-C117 WeakPolarHBondContact CA-O 3.35Å; T87-C117 PolarHBondContact O-N 3.05Å; T87-V139 HydrophobicContact CG2-CG1 3.85Å
88S96.7Very high97.2Very high44 Ų4426.7 Ų26.731%0.30821%0.205SC..THydrogen-bonded Turntrans-78.6-25.9176.673.70000113.9N86 L90 G116N86-S88 PolarHBondContact O-N 3.3Å; N86-S88 WeakPolarHBondContact OD1-CB 3.33Å; N86-S88 PolarHBondContact OD1-N 3.03Å; N86-S88 VanDerWaalsContact OD1-N 3.16Å; N86-S88 PolarHBondContact OD1-OG 3.31Å; S88-L90 PolarHBondContact O-N 3.31Å; S88-L90 PolarHBondContact OG-N 3.43Å; S88-G116 WeakPolarHBondContact O-CA 3.45Å
89L96.5Very high97.2Very high0 Ų026.6 Ų26.60%020%0.204CC..  trans58.67.7-162.5-56.3-175.8000115.8A85 N86 G91 H100 C111 L114 C117 K123 H137A85-L89 HydrophobicContact CB-CD2 3.85Å; N86-L89 PolarHBondContact O-N 2.81Å; L89-G91 PolarHBondContact O-N 2.74Å; L89-H100 PolarHBondContact O-CE1 2.9Å; L89-C111 HydrophobicContact CB-CB 4.09Å; L89-C111 WeakPolarHBondContact O-CB 3.36Å; L89-C111 PolarHBondContact O-SG 3.47Å; L89-L114 HydrophobicContact CD1-CB 4.08Å; L89-L114 HydrophobicContact CD1-CD1 3.91Å; L89-C117 HydrophobicContact CD1-CB 4.03Å; L89-C117 HydrophobicContact CD2-CB 3.75Å; L89-C117 HydrophobicContact CG-CB 3.92Å; L89-K123 HydrophobicContact CD1-CB 4.43Å; L89-K123 HydrophobicContact CD1-CD 4.17Å; L89-H137 HydrophobicContact CD2-CB 3.59Å
90L96.1Very high97.2Very high48 Ų4827.3 Ų27.325%0.25121%0.207SC..SBendtrans-86.121.9-174.3-59.9-174.1000114S88 Y108 H112S88-L90 PolarHBondContact O-N 3.31Å; S88-L90 PolarHBondContact OG-N 3.43Å; L90-Y108 HydrophobicContact CB-CD2 4.45Å; L90-Y108 HydrophobicContact CB-CE2 3.84Å; L90-Y108 HydrophobicContact CD2-CE2 4.02Å; L90-Y108 HydrophobicContact CG-CE2 4.35Å; L90-H112 HydrophobicContact CD2-CB 3.91Å
91G93.2Very high97.1Very high12 Ų1236 Ų3612%0.12425%0.245CC..  trans78.3-175.1-172.600000113.4N86 L89 D96N86-G91 PolarHBondContact ND2-O 3.47Å; L89-G91 PolarHBondContact O-N 2.74Å; G91-D96 WeakPolarHBondContact CA-OD1 3.16Å
92G93.6Very high97.1Very high47 Ų4736.8 Ų36.849%0.48525%0.251SS..  trans172.9-150.4-17800000112.5G97G92-G97 WeakPolarHBondContact O-CA 3.33Å; G92-G97 PolarHBondContact O-N 2.9Å
93G93.4Very high97Very high55 Ų5536.8 Ų36.857%0.56725%0.252SS*.SBendtrans-85.5176.2173.600000113.8
94G96.4Very high96.9Very high62 Ų6237.5 Ų37.564%0.63926%0.259SS*.Hα-helixtrans63.4-140.2174.300000113.4D96 G97 C98G94-D96 VanDerWaalsContact C-N 3.27Å; G94-D96 PolarHBondContact O-N 3.4Å; G94-G97 PolarHBondContact O-N 3.26Å; G94-C98 PolarHBondContact O-N 3.31Å; G94-C98 PolarHBondContact O-SG 3.2Å; G94-C98 VanDerWaalsContact O-SG 3.41Å
95V98Very high96.8Very high45 Ų4539.1 Ų39.127%0.27327%0.268SS..Hα-helixtrans-63.9-32.2-177.670.90000112.8I73 A84 C98 I99 P177I73-V95 HydrophobicContact CG2-CG2 3.64Å; A84-V95 HydrophobicContact CB-CG1 3.92Å; V95-C98 PolarHBondContact O-N 3.41Å; V95-I99 HydrophobicContact CG2-CD1 3.98Å; V95-I99 HydrophobicContact CG2-CG1 4.38Å; V95-I99 WeakPolarHBondContact O-CB 3.43Å; V95-I99 WeakPolarHBondContact O-CG1 3.14Å; V95-I99 PolarHBondContact O-N 3.19Å; V95-P177 HydrophobicContact CG2-CB 4.38Å
96D98.3Very high96.8Very high7 Ų739.4 Ų39.44%0.03727%0.27CS..Hα-helixtrans-60-51.3176.6-163.62.5000110.4N83 N86 G91 G94 C98 I99 H100N83-D96 PolarHBondContact ND2-OD1 2.96Å; N83-D96 VanDerWaalsContact OD1-CA 3.27Å; N83-D96 WeakPolarHBondContact OD1-CA 3.34Å; N86-D96 PolarHBondContact ND2-OD2 2.9Å; G91-D96 WeakPolarHBondContact CA-OD1 3.16Å; G94-D96 VanDerWaalsContact C-N 3.27Å; G94-D96 PolarHBondContact O-N 3.4Å; D96-C98 PolarHBondContact O-N 3.46Å; D96-I99 PolarHBondContact O-N 3.47Å; D96-H100 PolarHBondContact O-CD2 3.49Å; D96-H100 PolarHBondContact O-N 3.34Å; D96-H100 IonicContact OD1-CD2 3.04Å; D96-H100 IonicContact OD1-NE2 3.33Å
97G98Very high96.8Very high21 Ų2137.6 Ų37.622%0.21626%0.26CS..Hα-helixtrans-63-38.6173.800000114.2G92 G94 K101G92-G97 WeakPolarHBondContact O-CA 3.33Å; G92-G97 PolarHBondContact O-N 2.9Å; G94-G97 PolarHBondContact O-N 3.26Å; G97-K101 WeakPolarHBondContact O-CB 3.38Å; G97-K101 PolarHBondContact O-N 2.76Å
98C98.3Very high96.8Very high65 Ų6536.7 Ų36.744%0.43925%0.248SC..Hα-helixtrans-62.4-45174.5-700000111.8T74 G94 V95 D96 K101 A102T74-C98 HydrophobicContact CG2-CB 4.23Å; G94-C98 PolarHBondContact O-N 3.31Å; G94-C98 PolarHBondContact O-SG 3.2Å; G94-C98 VanDerWaalsContact O-SG 3.41Å; V95-C98 PolarHBondContact O-N 3.41Å; D96-C98 PolarHBondContact O-N 3.46Å; C98-K101 PolarHBondContact O-N 2.61Å; C98-A102 VanDerWaalsContact O-CB 3.22Å; C98-A102 WeakPolarHBondContact O-CB 3.48Å; C98-A102 PolarHBondContact O-N 3.22Å
99I98.6Very high96.9Very high0 Ų036.3 Ų36.30%024%0.243CC..Hα-helixtrans-64-49.6178.7-73.8171.8000110.6I73 T74 I81 N83 V95 D96 K101 A102 A103 L107 L130 V135I73-I99 HydrophobicContact CG2-CD1 4.11Å; I73-I99 HydrophobicContact CG2-CG1 4.18Å; T74-I99 HydrophobicContact CG2-CG1 3.89Å; I81-I99 HydrophobicContact CD1-CD1 4.01Å; I81-I99 HydrophobicContact CD1-CG1 3.94Å; N83-I99 HydrophobicContact CB-CD1 3.73Å; V95-I99 HydrophobicContact CG2-CD1 3.98Å; V95-I99 HydrophobicContact CG2-CG1 4.38Å; V95-I99 WeakPolarHBondContact O-CB 3.43Å; V95-I99 WeakPolarHBondContact O-CG1 3.14Å; V95-I99 PolarHBondContact O-N 3.19Å; D96-I99 PolarHBondContact O-N 3.47Å; I99-K101 PolarHBondContact O-N 2.87Å; I99-A102 PolarHBondContact O-N 3.49Å; I99-A103 WeakPolarHBondContact O-CB 3.37Å; I99-A103 PolarHBondContact O-N 2.97Å; I99-L107 HydrophobicContact CG2-CD2 3.85Å; I99-L130 HydrophobicContact CG2-CD1 4.41Å; I99-V135 HydrophobicContact CG2-CG1 4.01Å; I99-V135 HydrophobicContact CG2-CG2 4.08Å
100H98.4Very high97Very high23 Ų2336.5 Ų36.511%0.10624%0.244CC..Hα-helixtrans-61.2-42.5177.3-84.6-106000112.5L89 D96 A102 G104 H137L89-H100 PolarHBondContact O-CE1 2.9Å; D96-H100 PolarHBondContact O-CD2 3.49Å; D96-H100 PolarHBondContact O-N 3.34Å; D96-H100 IonicContact OD1-CD2 3.04Å; D96-H100 IonicContact OD1-NE2 3.33Å; H100-A102 VanDerWaalsContact C-N 3.31Å; H100-A102 PolarHBondContact O-N 3.29Å; H100-G104 PolarHBondContact O-N 3.29Å; H100-G104 VanDerWaalsContact O-N 3.13Å; H100-H137 AromaticContact CD2-CE1 3.67Å; H100-H137 AromaticContact CE1-CE1 3.73Å; H100-H137 AromaticContact NE2-CE1 2.9Å; H100-H137 PolarHBondContact NE2-CE1 3.42Å
101K97.8Very high97.1Very high183 Ų18334.2 Ų34.280%0.79623%0.232SC*.Hα-helixtrans-66.9-28.8175.9-175.9171.3-178.8177.80113.4G97 C98 I99G97-K101 WeakPolarHBondContact O-CB 3.38Å; G97-K101 PolarHBondContact O-N 2.76Å; C98-K101 PolarHBondContact O-N 2.61Å; I99-K101 PolarHBondContact O-N 2.87Å
102A98Very high97.2Very high15 Ų1539.1 Ų39.112%0.12425%0.251CS..Hα-helixtrans-87.3-29.6-179.600000113.6T74 C98 I99 H100 L130T74-A102 HydrophobicContact CG2-CB 3.86Å; C98-A102 VanDerWaalsContact O-CB 3.22Å; C98-A102 WeakPolarHBondContact O-CB 3.48Å; C98-A102 PolarHBondContact O-N 3.22Å; I99-A102 PolarHBondContact O-N 3.49Å; H100-A102 VanDerWaalsContact C-N 3.31Å; H100-A102 PolarHBondContact O-N 3.29Å; A102-L130 HydrophobicContact CB-CD2 3.59Å
103A97.8Very high97.4Very high1 Ų139.6 Ų39.61%0.00825%0.247CC..Hα-helixtrans-84.2-25.6177.900000114I99 L107 G127 Y128 D129 L130I99-A103 WeakPolarHBondContact O-CB 3.37Å; I99-A103 PolarHBondContact O-N 2.97Å; A103-L107 HydrophobicContact CB-CB 3.74Å; A103-L107 HydrophobicContact CB-CD2 3.48Å; A103-L107 VanDerWaalsContact CB-CD2 3.48Å; A103-L107 HydrophobicContact CB-CG 4.2Å; A103-G127 WeakPolarHBondContact CB-O 3.48Å; A103-Y128 VanDerWaalsContact O-CB 3.22Å; A103-Y128 WeakPolarHBondContact O-CB 3.09Å; A103-D129 PolarHBondContact O-N 3.16Å; A103-L130 HydrophobicContact CB-CD1 3.87Å; A103-L130 HydrophobicContact CB-CG 3.89Å
104G96Very high97.6Very high15 Ų1538.9 Ų38.916%0.15523%0.23CC..  trans85.3177.7-179.500000114.4H100 C106 L107H100-G104 PolarHBondContact O-N 3.29Å; H100-G104 VanDerWaalsContact O-N 3.13Å; G104-C106 VanDerWaalsContact C-N 3.25Å; G104-C106 PolarHBondContact O-N 2.87Å; G104-C106 VanDerWaalsContact O-N 3.13Å; G104-L107 PolarHBondContact O-N 2.99Å; G104-L107 VanDerWaalsContact O-N 3.08Å
105C95.6Very high97.5Very high56 Ų5643 Ų4338%0.37824%0.237SC..Hα-helixtrans-60.1-26.4-169.556.10000115L107 Y108 D109C105-L107 VanDerWaalsContact C-N 3.25Å; C105-L107 PolarHBondContact O-N 3.46Å; C105-Y108 WeakPolarHBondContact O-CB 3.23Å; C105-Y108 PolarHBondContact O-N 2.63Å; C105-Y108 VanDerWaalsContact O-N 3.12Å; C105-D109 PolarHBondContact O-N 3.4Å
106C97.4Very high97.5Very high7 Ų741.3 Ų41.35%0.04723%0.229CC..Hα-helixtrans-64.1-28.5176.7-60.80000113.2K6 W8 G104 E110 Y128K6-C106 VanDerWaalsContact CB-SG 3.53Å; W8-C106 HydrophobicContact CB-CB 3.94Å; G104-C106 VanDerWaalsContact C-N 3.25Å; G104-C106 PolarHBondContact O-N 2.87Å; G104-C106 VanDerWaalsContact O-N 3.13Å; C106-E110 PolarHBondContact O-N 3.29Å; C106-Y128 HydrophobicContact CB-CD1 3.35Å; C106-Y128 HydrophobicContact CB-CD2 4.22Å; C106-Y128 HydrophobicContact CB-CE1 3.44Å; C106-Y128 VanDerWaalsContact CB-CE1 3.44Å; C106-Y128 HydrophobicContact CB-CE2 4.3Å; C106-Y128 HydrophobicContact CB-CG 3.78Å
107L98.3Very high97.5Very high0 Ų041.6 Ų41.60%023%0.231CC..Hα-helixtrans-66.5-42.2172.7-177.459.7000110.9I99 A103 G104 C105 E110 C111 T125 Y128 V135 H137I99-L107 HydrophobicContact CG2-CD2 3.85Å; A103-L107 HydrophobicContact CB-CB 3.74Å; A103-L107 HydrophobicContact CB-CD2 3.48Å; A103-L107 VanDerWaalsContact CB-CD2 3.48Å; A103-L107 HydrophobicContact CB-CG 4.2Å; G104-L107 PolarHBondContact O-N 2.99Å; G104-L107 VanDerWaalsContact O-N 3.08Å; C105-L107 VanDerWaalsContact C-N 3.25Å; C105-L107 PolarHBondContact O-N 3.46Å; L107-E110 PolarHBondContact O-N 2.65Å; L107-C111 WeakPolarHBondContact O-CB 3.36Å; L107-C111 PolarHBondContact O-N 3.38Å; L107-C111 PolarHBondContact O-SG 2.93Å; L107-T125 HydrophobicContact CD1-CG2 4.26Å; L107-T125 VanDerWaalsContact CD1-OG1 3.26Å; L107-T125 WeakPolarHBondContact CD1-OG1 3.42Å; L107-Y128 HydrophobicContact CB-CD2 3.85Å; L107-Y128 HydrophobicContact CB-CE2 4.23Å; L107-Y128 HydrophobicContact CD1-CD2 4.27Å; L107-Y128 HydrophobicContact CD1-CE2 4.22Å; L107-V135 HydrophobicContact CD2-CG2 4.41Å; L107-H137 WeakPolarHBondContact CD1-NE2 3.26Å; L107-H137 VanDerWaalsContact CD2-CE1 3.4Å; L107-H137 WeakPolarHBondContact CD2-CE1 3.43Å
108Y97.4Very high97.5Very high64 Ų6446.9 Ų46.925%0.25125%0.251SS..Hα-helixtrans-62.8-46.9175.9178.9-86.6000111.4L90 C105 E110 C111 H112L90-Y108 HydrophobicContact CB-CD2 4.45Å; L90-Y108 HydrophobicContact CB-CE2 3.84Å; L90-Y108 HydrophobicContact CD2-CE2 4.02Å; L90-Y108 HydrophobicContact CG-CE2 4.35Å; C105-Y108 WeakPolarHBondContact O-CB 3.23Å; C105-Y108 PolarHBondContact O-N 2.63Å; C105-Y108 VanDerWaalsContact O-N 3.12Å; Y108-E110 VanDerWaalsContact C-N 3.31Å; Y108-E110 PolarHBondContact O-N 3.07Å; Y108-C111 PolarHBondContact O-N 3.29Å; Y108-H112 WeakPolarHBondContact O-CB 3.49Å; Y108-H112 PolarHBondContact O-N 3.44Å
109D97.3Very high97.5Very high37 Ų3746.2 Ų46.220%0.19824%0.244CC..Hα-helixtrans-63.9-34.1179.4-66.3-23.6000112.7K5 W8 C105K5-D109 WeakPolarHBondContact CE-OD2 3.13Å; K5-D109 IonicContact NZ-OD1 2.77Å; K5-D109 PolarHBondContact NZ-OD1 3.48Å; K5-D109 IonicContact NZ-OD2 3.41Å; K5-D109 PolarHBondContact NZ-OD2 3.33Å; W8-D109 HydrophobicContact CB-CB 4.34Å; W8-D109 HydrophobicContact CG-CB 4.2Å; W8-D109 PolarHBondContact NE1-O 2.83Å; C105-D109 PolarHBondContact O-N 3.4Å
110E98.4Very high97.5Very high4 Ų446.3 Ų46.32%0.01925%0.245CC..Hα-helixtrans-70-50.3172-176.5169.4-157.600111.3W8 K12 C106 L107 Y108 H112 S113 L114 T125 C126 Y128W8-E110 HydrophobicContact CD2-CB 3.78Å; W8-E110 HydrophobicContact CD2-CG 4.19Å; W8-E110 HydrophobicContact CE3-CB 3.74Å; W8-E110 HydrophobicContact CE3-CG 3.73Å; W8-E110 HydrophobicContact CG-CB 4.21Å; W8-E110 HydrophobicContact CH2-CB 4.49Å; W8-E110 HydrophobicContact CH2-CG 3.89Å; W8-E110 HydrophobicContact CZ2-CG 4.34Å; W8-E110 HydrophobicContact CZ3-CB 4.11Å; W8-E110 HydrophobicContact CZ3-CG 3.57Å; W8-E110 WeakPolarHBondContact CZ3-OE1 3.45Å; K12-E110 IonicContact NZ-OE1 2.72Å; K12-E110 PolarHBondContact NZ-OE1 2.82Å; C106-E110 PolarHBondContact O-N 3.29Å; L107-E110 PolarHBondContact O-N 2.65Å; Y108-E110 VanDerWaalsContact C-N 3.31Å; Y108-E110 PolarHBondContact O-N 3.07Å; E110-H112 VanDerWaalsContact C-N 3.28Å; E110-H112 PolarHBondContact O-N 3.18Å; E110-S113 WeakPolarHBondContact O-CA 3.42Å; E110-S113 WeakPolarHBondContact O-CB 3.33Å; E110-S113 PolarHBondContact O-N 2.95Å; E110-S113 PolarHBondContact O-OG 3.13Å; E110-L114 PolarHBondContact O-N 3.41Å; E110-T125 HydrophobicContact CG-CG2 3.85Å; E110-T125 WeakPolarHBondContact OE2-CA 3.29Å; E110-T125 WeakPolarHBondContact OE2-CB 3.27Å; E110-C126 PolarHBondContact OE2-N 3.4Å; E110-Y128 HydrophobicContact CB-CE2 4.36Å; E110-Y128 WeakPolarHBondContact OE2-CE2 3.28Å; E110-Y128 PolarHBondContact OE2-OH 3.01Å
111C98.2Very high97.5Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-54.7-41.5177-73.90000112.9L89 L107 Y108 S113 L114 H137L89-C111 HydrophobicContact CB-CB 4.09Å; L89-C111 WeakPolarHBondContact O-CB 3.36Å; L89-C111 PolarHBondContact O-SG 3.47Å; L107-C111 WeakPolarHBondContact O-CB 3.36Å; L107-C111 PolarHBondContact O-N 3.38Å; L107-C111 PolarHBondContact O-SG 2.93Å; Y108-C111 PolarHBondContact O-N 3.29Å; C111-S113 PolarHBondContact O-N 2.79Å; C111-L114 WeakPolarHBondContact O-CB 3.23Å; C111-L114 PolarHBondContact O-N 3.35Å; C111-H137 PolarHBondContact SG-CE1 3.35Å; C111-H137 PolarHBondContact SG-NE2 3.37Å
112H96.7Very high97.6Very high114 Ų11442.1 Ų42.153%0.52823%0.23SC..Hα-helixtrans-60.7-32.7177-167.788.8000112.2L90 Y108 E110 L114L90-H112 HydrophobicContact CD2-CB 3.91Å; Y108-H112 WeakPolarHBondContact O-CB 3.49Å; Y108-H112 PolarHBondContact O-N 3.44Å; E110-H112 VanDerWaalsContact C-N 3.28Å; E110-H112 PolarHBondContact O-N 3.18Å; H112-L114 VanDerWaalsContact C-N 3.28Å; H112-L114 PolarHBondContact O-N 3.1Å
113S97.3Very high97.6Very high57 Ų5744.7 Ų44.740%0.39924%0.239SC..Hα-helixtrans-74.5-11.6174.981.20000114.7W8 E110 C111W8-S113 VanDerWaalsContact CZ2-OG 3.26Å; W8-S113 WeakPolarHBondContact CZ2-OG 3.21Å; E110-S113 WeakPolarHBondContact O-CA 3.42Å; E110-S113 WeakPolarHBondContact O-CB 3.33Å; E110-S113 PolarHBondContact O-N 2.95Å; E110-S113 PolarHBondContact O-OG 3.13Å; C111-S113 PolarHBondContact O-N 2.79Å
114L96.9Very high97.7Very high41 Ų4145.4 Ų45.422%0.21524%0.242CC..THydrogen-bonded Turntrans-87.2-9.3-178.4-64.5-178.6000114.3L89 E110 C111 H112 K123 T125L89-L114 HydrophobicContact CD1-CB 4.08Å; L89-L114 HydrophobicContact CD1-CD1 3.91Å; E110-L114 PolarHBondContact O-N 3.41Å; C111-L114 WeakPolarHBondContact O-CB 3.23Å; C111-L114 PolarHBondContact O-N 3.35Å; H112-L114 VanDerWaalsContact C-N 3.28Å; H112-L114 PolarHBondContact O-N 3.1Å; L114-K123 HydrophobicContact CB-CD 4.07Å; L114-K123 HydrophobicContact CD1-CB 4.03Å; L114-K123 HydrophobicContact CD1-CD 4.27Å; L114-K123 PolarHBondContact O-NZ 2.94Å; L114-T125 HydrophobicContact CD1-CG2 3.62Å
115N95.9Very high97.8Very high148 Ų14844.7 Ų44.779%0.79124%0.235SC*.THydrogen-bonded Turntrans53.450.2-176.3-52119.5000113.7
116G97.2Very high98Very high10 Ų1042 Ų4210%0.10322%0.217CC..  trans71-168173.900000115.3T87 S88 K123T87-G116 CarbonylContact O-C 3.56Å; T87-G116 WeakPolarHBondContact O-CA 3.4Å; S88-G116 WeakPolarHBondContact O-CA 3.45Å; G116-K123 WeakPolarHBondContact O-CE 3.39Å; G116-K123 PolarHBondContact O-NZ 2.77Å
117C98.3Very high98Very high13 Ų1341.7 Ų41.79%0.08822%0.215CC..  trans-152.8143.7178.8-1640000111.4T87 L89 V139T87-C117 WeakPolarHBondContact CA-O 3.35Å; T87-C117 PolarHBondContact O-N 3.05Å; L89-C117 HydrophobicContact CD1-CB 4.03Å; L89-C117 HydrophobicContact CD2-CB 3.75Å; L89-C117 HydrophobicContact CG-CB 3.92Å; C117-V139 HydrophobicContact CB-CG2 3.72Å
118E98.5Very high98Very high132 Ų13241.9 Ų41.962%0.61722%0.216SC*.  trans-80.7152.7175.4-61.9169.7176.300111.2G120 K121E118-G120 PolarHBondContact O-N 2.97Å; E118-K121 HydrophobicContact CB-CB 4.41Å; E118-K121 HydrophobicContact CB-CG 3.66Å; E118-K121 WeakPolarHBondContact O-CB 3.01Å; E118-K121 PolarHBondContact O-N 2.92Å; E118-K121 VanDerWaalsContact O-N 3.09Å; E118-K121 WeakPolarHBondContact OE2-CE 2.97Å
119T98.4Very high98Very high50 Ų5040.1 Ų40.131%0.30721%0.211SC..BIsolated β-bridgetrans-54.7137.3172.3-53.50000111.5K121 V139 P141 D154T119-K121 PolarHBondContact O-N 3.12Å; T119-V139 CarbonylContact C-O 3.58Å; T119-V139 WeakPolarHBondContact CA-O 3.46Å; T119-P141 HydrophobicContact CG2-CB 4.17Å; T119-D154 HydrophobicContact CG2-CB 3.98Å; T119-D154 WeakPolarHBondContact CG2-OD2 3.45Å
120G98.2Very high98.1Very high2 Ų238.5 Ų38.52%0.02120%0.202CC..THydrogen-bonded Turntrans77.6-10.8-17700000115.2E118 V139 D154 S157 C158 N161E118-G120 PolarHBondContact O-N 2.97Å; G120-V139 PolarHBondContact N-O 3.07Å; G120-D154 WeakPolarHBondContact CA-O 3.39Å; G120-S157 CarbonylContact O-C 3.49Å; G120-S157 WeakPolarHBondContact O-CB 3.34Å; G120-C158 PolarHBondContact O-N 2.87Å; G120-N161 PolarHBondContact O-ND2 3.39Å
121K98.6Very high98Very high100 Ų10038.7 Ų38.744%0.43520%0.203SC..  trans-92172.6176.8-51.1-58.3-176.8-179.60111.5E118 T119 T138 V139E118-K121 HydrophobicContact CB-CB 4.41Å; E118-K121 HydrophobicContact CB-CG 3.66Å; E118-K121 WeakPolarHBondContact O-CB 3.01Å; E118-K121 PolarHBondContact O-N 2.92Å; E118-K121 VanDerWaalsContact O-N 3.09Å; E118-K121 WeakPolarHBondContact OE2-CE 2.97Å; T119-K121 PolarHBondContact O-N 3.12Å; K121-T138 VanDerWaalsContact O-CA 3.32Å; K121-T138 WeakPolarHBondContact O-CA 3.33Å; K121-T138 WeakPolarHBondContact O-CB 3.36Å; K121-T138 PolarHBondContact O-OG1 2.95Å; K121-V139 PolarHBondContact O-N 2.9Å
122A98.8Very high98.1Very high19 Ų1938.8 Ų38.816%0.15720%0.204CC..EExtended strand (participates in β ladder)trans-139155.7173.500000111.6I136 H137 N161 L165A122-I136 HydrophobicContact CB-CG2 4.09Å; A122-H137 CarbonylContact C-O 3.6Å; A122-H137 WeakPolarHBondContact CA-O 3.32Å; A122-N161 HydrophobicContact CB-CB 4.14Å; A122-L165 HydrophobicContact CB-CD1 3.64Å
123K98.8Very high98.1Very high68 Ų6836.9 Ų36.930%0.29619%0.192SC..EExtended strand (participates in β ladder)trans-140.5154.5170.5-68.9-175.1176.7169.80109.8L89 L114 G116 I136 H137L89-K123 HydrophobicContact CD1-CB 4.43Å; L89-K123 HydrophobicContact CD1-CD 4.17Å; L114-K123 HydrophobicContact CB-CD 4.07Å; L114-K123 HydrophobicContact CD1-CB 4.03Å; L114-K123 HydrophobicContact CD1-CD 4.27Å; L114-K123 PolarHBondContact O-NZ 2.94Å; G116-K123 WeakPolarHBondContact O-CE 3.39Å; G116-K123 PolarHBondContact O-NZ 2.77Å; K123-I136 CarbonylContact O-C 3.56Å; K123-I136 WeakPolarHBondContact O-CA 3.5Å; K123-H137 PolarHBondContact N-O 2.98Å; K123-H137 PolarHBondContact O-N 3.33Å
124I98.8Very high98.2Very high16 Ų1635.6 Ų35.68%0.08218%0.179CC..EExtended strand (participates in β ladder)trans-119142.5-174.2-169.7170.1000112.7Y134 V135 I136 L165 Y169 L171I124-Y134 HydrophobicContact CD1-CD1 3.93Å; I124-Y134 HydrophobicContact CD1-CG 3.95Å; I124-Y134 HydrophobicContact CG1-CD1 3.99Å; I124-Y134 HydrophobicContact CG1-CG 4.27Å; I124-V135 WeakPolarHBondContact CA-O 3.34Å; I124-I136 HydrophobicContact CB-CG1 4.21Å; I124-I136 HydrophobicContact CD1-CD1 4.19Å; I124-I136 HydrophobicContact CD1-CG1 3.78Å; I124-I136 HydrophobicContact CG1-CG1 3.8Å; I124-L165 HydrophobicContact CB-CD1 4.44Å; I124-L165 HydrophobicContact CG2-CD2 4.28Å; I124-Y169 HydrophobicContact CD1-CD1 4.16Å; I124-Y169 HydrophobicContact CD1-CD2 4.3Å; I124-Y169 HydrophobicContact CD1-CG 4.04Å; I124-Y169 HydrophobicContact CG2-CD1 4.43Å; I124-Y169 HydrophobicContact CG2-CD2 4.26Å; I124-Y169 HydrophobicContact CG2-CE1 3.84Å; I124-Y169 HydrophobicContact CG2-CE2 3.69Å; I124-Y169 VanDerWaalsContact CG2-CZ 3.46Å; I124-L171 HydrophobicContact CD1-CD1 3.94Å
125T98.9Very high98.3Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-138166.1-176.955.10000109.9L107 E110 L114 Y134 V135 H137L107-T125 HydrophobicContact CD1-CG2 4.26Å; L107-T125 VanDerWaalsContact CD1-OG1 3.26Å; L107-T125 WeakPolarHBondContact CD1-OG1 3.42Å; E110-T125 HydrophobicContact CG-CG2 3.85Å; E110-T125 WeakPolarHBondContact OE2-CA 3.29Å; E110-T125 WeakPolarHBondContact OE2-CB 3.27Å; L114-T125 HydrophobicContact CD1-CG2 3.62Å; T125-Y134 CarbonylContact O-C 3.39Å; T125-Y134 VanDerWaalsContact O-CA 3.23Å; T125-Y134 WeakPolarHBondContact O-CA 3.38Å; T125-Y134 WeakPolarHBondContact O-CB 3.36Å; T125-Y134 WeakPolarHBondContact O-CD1 3.37Å; T125-V135 PolarHBondContact N-O 2.86Å; T125-V135 PolarHBondContact O-N 3.26Å; T125-V135 PolarHBondContact OG1-O 3.03Å; T125-H137 WeakPolarHBondContact CB-NE2 3.15Å; T125-H137 WeakPolarHBondContact CG2-NE2 3.47Å; T125-H137 PolarHBondContact OG1-CD2 3.03Å; T125-H137 PolarHBondContact OG1-NE2 2.82Å
126C98.6Very high98.5Very high1 Ų126.6 Ų26.61%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-71.2153.9172.1-166.20000111.6K12 E110 Y128K12-C126 HydrophobicContact CB-CB 4.15Å; K12-C126 HydrophobicContact CD-CB 3.94Å; K12-C126 HydrophobicContact CG-CB 3.78Å; E110-C126 PolarHBondContact OE2-N 3.4Å; C126-Y128 VanDerWaalsContact C-N 3.32Å; C126-Y128 HydrophobicContact CB-CD1 4.45Å; C126-Y128 HydrophobicContact CB-CD2 4.05Å; C126-Y128 HydrophobicContact CB-CE1 4.07Å; C126-Y128 HydrophobicContact CB-CE2 3.63Å; C126-Y128 HydrophobicContact CB-CG 4.44Å; C126-Y128 WeakPolarHBondContact O-CD2 3.24Å; C126-Y128 WeakPolarHBondContact O-CE2 3.47Å
127G98.2Very high98.5Very high0 Ų026.1 Ų26.10%013%0.126CC..  trans-75.8-17.117400000114.6A103 D129 L130 R133A103-G127 WeakPolarHBondContact CB-O 3.48Å; G127-D129 PolarHBondContact O-N 3.27Å; G127-L130 VanDerWaalsContact O-CB 3.22Å; G127-L130 WeakPolarHBondContact O-CB 3.14Å; G127-L130 WeakPolarHBondContact O-CD1 3.48Å; G127-L130 WeakPolarHBondContact O-CG 3.35Å; G127-L130 PolarHBondContact O-N 3.03Å; G127-R133 PolarHBondContact N-O 3.46Å
128Y98.1Very high98.6Very high4 Ų425.5 Ų25.52%0.01612%0.122CC..THydrogen-bonded Turntrans51-117.2-176.8-60.4-76.6000112.2W8 E11 K12 L15 R23 A103 C106 L107 E110 C126 L130W8-Y128 HydrophobicContact CB-CE1 4.23Å; E11-Y128 HydrophobicContact CG-CD1 4.24Å; K12-Y128 HydrophobicContact CB-CE1 4.24Å; L15-Y128 HydrophobicContact CD1-CD1 4.32Å; R23-Y128 PolarHBondContact NH2-O 2.64Å; R23-Y128 VanDerWaalsContact NH2-O 3.14Å; A103-Y128 VanDerWaalsContact O-CB 3.22Å; A103-Y128 WeakPolarHBondContact O-CB 3.09Å; C106-Y128 HydrophobicContact CB-CD1 3.35Å; C106-Y128 HydrophobicContact CB-CD2 4.22Å; C106-Y128 HydrophobicContact CB-CE1 3.44Å; C106-Y128 VanDerWaalsContact CB-CE1 3.44Å; C106-Y128 HydrophobicContact CB-CE2 4.3Å; C106-Y128 HydrophobicContact CB-CG 3.78Å; L107-Y128 HydrophobicContact CB-CD2 3.85Å; L107-Y128 HydrophobicContact CB-CE2 4.23Å; L107-Y128 HydrophobicContact CD1-CD2 4.27Å; L107-Y128 HydrophobicContact CD1-CE2 4.22Å; E110-Y128 HydrophobicContact CB-CE2 4.36Å; E110-Y128 WeakPolarHBondContact OE2-CE2 3.28Å; E110-Y128 PolarHBondContact OE2-OH 3.01Å; C126-Y128 VanDerWaalsContact C-N 3.32Å; C126-Y128 HydrophobicContact CB-CD1 4.45Å; C126-Y128 HydrophobicContact CB-CD2 4.05Å; C126-Y128 HydrophobicContact CB-CE1 4.07Å; C126-Y128 HydrophobicContact CB-CE2 3.63Å; C126-Y128 HydrophobicContact CB-CG 4.44Å; C126-Y128 WeakPolarHBondContact O-CD2 3.24Å; C126-Y128 WeakPolarHBondContact O-CE2 3.47Å; Y128-L130 PolarHBondContact O-N 2Å
129D97.8Very high98.6Very high27 Ų2719.2 Ų19.214%0.1449%0.093CC..THydrogen-bonded Turntrans-75.1-4.2-178-64.5-28.6000113.8R28 A103 G127R28-D129 HydrophobicContact CG-CB 4.44Å; R28-D129 IonicContact CZ-OD2 3.91Å; R28-D129 IonicContact NE-OD2 3.51Å; R28-D129 PolarHBondContact NE-OD2 2.77Å; R28-D129 IonicContact NH2-OD2 3.37Å; R28-D129 PolarHBondContact NH2-OD2 3.41Å; A103-D129 PolarHBondContact O-N 3.16Å; G127-D129 PolarHBondContact O-N 3.27Å
130L98.4Very high98.6Very high2 Ų217 Ų171%0.018%0.079CC..SBendtrans-71.3149.9172.5-67.9165.9000112.2R23 T74 I81 I99 A102 A103 G127 Y128 A132 V135R23-L130 PolarHBondContact NH2-O 3.34Å; T74-L130 HydrophobicContact CG2-CD2 4.18Å; T74-L130 WeakPolarHBondContact O-CD2 3.33Å; I81-L130 HydrophobicContact CD1-CD1 3.8Å; I81-L130 HydrophobicContact CD1-CD2 4.35Å; I81-L130 HydrophobicContact CG1-CD1 4.43Å; I99-L130 HydrophobicContact CG2-CD1 4.41Å; A102-L130 HydrophobicContact CB-CD2 3.59Å; A103-L130 HydrophobicContact CB-CD1 3.87Å; A103-L130 HydrophobicContact CB-CG 3.89Å; G127-L130 VanDerWaalsContact O-CB 3.22Å; G127-L130 WeakPolarHBondContact O-CB 3.14Å; G127-L130 WeakPolarHBondContact O-CD1 3.48Å; G127-L130 WeakPolarHBondContact O-CG 3.35Å; G127-L130 PolarHBondContact O-N 3.03Å; Y128-L130 PolarHBondContact O-N 2Å; L130-A132 HydrophobicContact CB-CB 4.22Å; L130-A132 PolarHBondContact O-N 3.02Å; L130-A132 VanDerWaalsContact O-O 3.13Å; L130-V135 HydrophobicContact CD1-CG2 3.48Å; L130-V135 VanDerWaalsContact CD1-CG2 3.48Å
131P98.3Very high98.5Very high9 Ų917 Ų176%0.0588%0.079CC..SBendtrans-58.1-34164.7-2436.1000112.9R23 Y27 F31 T74 E77R23-P131 PolarHBondContact NH1-O 2.88Å; Y27-P131 HydrophobicContact CD2-CB 4.26Å; Y27-P131 HydrophobicContact CD2-CG 4.19Å; Y27-P131 HydrophobicContact CE1-CB 4.35Å; Y27-P131 HydrophobicContact CE2-CB 3.87Å; Y27-P131 HydrophobicContact CE2-CG 4.3Å; Y27-P131 HydrophobicContact CG-CG 4.39Å; Y27-P131 PolarHBondContact OH-O 2.7Å; F31-P131 HydrophobicContact CB-CB 4Å; F31-P131 HydrophobicContact CB-CG 3.66Å; T74-P131 VanDerWaalsContact O-CD 3.22Å; T74-P131 WeakPolarHBondContact O-CD 3.22Å; E77-P131 HydrophobicContact CB-CB 3.97Å; E77-P131 HydrophobicContact CG-CB 4.28Å
132A98.6Very high98.4Very high1 Ų115.5 Ų15.51%0.0088%0.078CC..SBendtrans-58.5142.1172.600000112.4R23 L76 V78 I81 L130R23-A132 PolarHBondContact NH2-O 2.65Å; L76-A132 PolarHBondContact O-N 3.14Å; V78-A132 VanDerWaalsContact O-CA 3.29Å; V78-A132 WeakPolarHBondContact O-CA 3.2Å; I81-A132 HydrophobicContact CB-CB 4.4Å; I81-A132 HydrophobicContact CD1-CB 4.46Å; I81-A132 HydrophobicContact CG1-CB 4Å; I81-A132 HydrophobicContact CG2-CB 3.81Å; L130-A132 HydrophobicContact CB-CB 4.22Å; L130-A132 PolarHBondContact O-N 3.02Å; L130-A132 VanDerWaalsContact O-O 3.13Å
133R98.3Very high98.1Very high75 Ų7514.9 Ų14.928%0.2837%0.073SC..SBendtrans-77.5-33.7177.9-59.1172.567.3-152.80.9112.4V78 D79 G127V78-R133 PolarHBondContact O-N 3.18Å; D79-R133 WeakPolarHBondContact O-CB 3.48Å; D79-R133 PolarHBondContact O-N 3.09Å; D79-R133 WeakPolarHBondContact OD1-CD 3.25Å; D79-R133 IonicContact OD1-NH1 3.53Å; D79-R133 PolarHBondContact OD1-NH1 3.14Å; G127-R133 PolarHBondContact N-O 3.46Å
134Y98.9Very high97.3Very high29 Ų2922.7 Ų22.711%0.11410%0.1CC..EExtended strand (participates in β ladder)trans-135.1156.8-179.9-63.2-86.9000112L16 D79 A80 I81 I124 T125 L171L16-Y134 HydrophobicContact CD1-CE1 3.98Å; L16-Y134 HydrophobicContact CD2-CE1 3.93Å; L16-Y134 HydrophobicContact CD2-CE2 3.98Å; D79-Y134 WeakPolarHBondContact O-CD2 3.33Å; D79-Y134 PolarHBondContact O-N 3.46Å; A80-Y134 WeakPolarHBondContact CA-O 3.24Å; I81-Y134 PolarHBondContact N-O 3.16Å; I81-Y134 VanDerWaalsContact N-O 3.12Å; I124-Y134 HydrophobicContact CD1-CD1 3.93Å; I124-Y134 HydrophobicContact CD1-CG 3.95Å; I124-Y134 HydrophobicContact CG1-CD1 3.99Å; I124-Y134 HydrophobicContact CG1-CG 4.27Å; T125-Y134 CarbonylContact O-C 3.39Å; T125-Y134 VanDerWaalsContact O-CA 3.23Å; T125-Y134 WeakPolarHBondContact O-CA 3.38Å; T125-Y134 WeakPolarHBondContact O-CB 3.36Å; T125-Y134 WeakPolarHBondContact O-CD1 3.37Å; Y134-L171 HydrophobicContact CD2-CD1 3.71Å; Y134-L171 HydrophobicContact CD2-CD2 3.7Å; Y134-L171 HydrophobicContact CD2-CG 4.39Å; Y134-L171 HydrophobicContact CE2-CD1 4.29Å; Y134-L171 HydrophobicContact CE2-CD2 3.5Å; Y134-L171 HydrophobicContact CG-CD1 4.21Å
135V98.9Very high96.2Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-114.6127.8162.6-178.10000109I81 N83 I99 L107 I124 T125 L130I81-V135 HydrophobicContact CD1-CG2 4.41Å; I81-V135 HydrophobicContact CG1-CG2 4.01Å; I81-V135 WeakPolarHBondContact O-CA 3.34Å; N83-V135 HydrophobicContact CB-CG1 3.72Å; I99-V135 HydrophobicContact CG2-CG1 4.01Å; I99-V135 HydrophobicContact CG2-CG2 4.08Å; L107-V135 HydrophobicContact CD2-CG2 4.41Å; I124-V135 WeakPolarHBondContact CA-O 3.34Å; T125-V135 PolarHBondContact N-O 2.86Å; T125-V135 PolarHBondContact O-N 3.26Å; T125-V135 PolarHBondContact OG1-O 3.03Å; L130-V135 HydrophobicContact CD1-CG2 3.48Å; L130-V135 VanDerWaalsContact CD1-CG2 3.48Å
136I98.9Very high95.5Very high0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-102.2106173.4-64173.4000107.7A80 I81 V82 N83 A122 K123 I124 L165 V166A80-I136 HydrophobicContact CB-CD1 3.73Å; A80-I136 HydrophobicContact CB-CG1 4.09Å; I81-I136 PolarHBondContact O-N 2.92Å; V82-I136 CarbonylContact C-O 3.56Å; V82-I136 VanDerWaalsContact CA-O 3.24Å; V82-I136 WeakPolarHBondContact CA-O 3.48Å; V82-I136 HydrophobicContact CG2-CB 4.27Å; N83-I136 PolarHBondContact N-O 2.71Å; A122-I136 HydrophobicContact CB-CG2 4.09Å; K123-I136 CarbonylContact O-C 3.56Å; K123-I136 WeakPolarHBondContact O-CA 3.5Å; I124-I136 HydrophobicContact CB-CG1 4.21Å; I124-I136 HydrophobicContact CD1-CD1 4.19Å; I124-I136 HydrophobicContact CD1-CG1 3.78Å; I124-I136 HydrophobicContact CG1-CG1 3.8Å; I136-L165 HydrophobicContact CD1-CB 4.26Å; I136-L165 HydrophobicContact CG2-CD1 3.97Å; I136-V166 HydrophobicContact CD1-CG2 3.55Å
137H98.9Very high95.3Very high0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-87.5127.1180-54.3-104.8000109.8N83 A85 L89 H100 L107 C111 A122 K123 T125N83-H137 HydrophobicContact CB-CB 4.46Å; N83-H137 PolarHBondContact ND2-ND1 3.44Å; A85-H137 HydrophobicContact CB-CB 4.07Å; L89-H137 HydrophobicContact CD2-CB 3.59Å; H100-H137 AromaticContact CD2-CE1 3.67Å; H100-H137 AromaticContact CE1-CE1 3.73Å; H100-H137 AromaticContact NE2-CE1 2.9Å; H100-H137 PolarHBondContact NE2-CE1 3.42Å; L107-H137 WeakPolarHBondContact CD1-NE2 3.26Å; L107-H137 VanDerWaalsContact CD2-CE1 3.4Å; L107-H137 WeakPolarHBondContact CD2-CE1 3.43Å; C111-H137 PolarHBondContact SG-CE1 3.35Å; C111-H137 PolarHBondContact SG-NE2 3.37Å; A122-H137 CarbonylContact C-O 3.6Å; A122-H137 WeakPolarHBondContact CA-O 3.32Å; K123-H137 PolarHBondContact N-O 2.98Å; K123-H137 PolarHBondContact O-N 3.33Å; T125-H137 WeakPolarHBondContact CB-NE2 3.15Å; T125-H137 WeakPolarHBondContact CG2-NE2 3.47Å; T125-H137 PolarHBondContact OG1-CD2 3.03Å; T125-H137 PolarHBondContact OG1-NE2 2.82Å
138T98.8Very high95.2Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-135.2140.9176.4-173.50000110.7V82 N83 A85 K121 C158 I179V82-T138 HydrophobicContact CG1-CG2 3.64Å; N83-T138 PolarHBondContact O-N 3.41Å; A85-T138 PolarHBondContact N-O 2.9Å; K121-T138 VanDerWaalsContact O-CA 3.32Å; K121-T138 WeakPolarHBondContact O-CA 3.33Å; K121-T138 WeakPolarHBondContact O-CB 3.36Å; K121-T138 PolarHBondContact O-OG1 2.95Å; T138-C158 HydrophobicContact CG2-CB 4.03Å; T138-C158 VanDerWaalsContact OG1-CA 3.32Å; T138-C158 WeakPolarHBondContact OG1-CA 3.41Å; T138-C158 WeakPolarHBondContact OG1-CB 3.47Å; T138-I179 HydrophobicContact CG2-CD1 3.68Å
139V98.7Very high95.1Very high1 Ų141 Ų411%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-102105.8-172.7-1790000110A85 N86 T87 C117 T119 G120 K121 C158A85-V139 WeakPolarHBondContact O-CA 3.26Å; N86-V139 WeakPolarHBondContact O-CG2 3.39Å; T87-V139 HydrophobicContact CG2-CG1 3.85Å; C117-V139 HydrophobicContact CB-CG2 3.72Å; T119-V139 CarbonylContact C-O 3.58Å; T119-V139 WeakPolarHBondContact CA-O 3.46Å; G120-V139 PolarHBondContact N-O 3.07Å; K121-V139 PolarHBondContact O-N 2.9Å; V139-C158 PolarHBondContact O-SG 2.85Å; V139-C158 VanDerWaalsContact O-SG 3.36Å
140G98.2Very high95Very high2 Ų245.3 Ų45.32%0.02124%0.236CC..  trans-68.1154.7178.800000113.7S180 Y184G140-S180 VanDerWaalsContact C-OG 3.31Å; G140-S180 VanDerWaalsContact CA-OG 3.22Å; G140-S180 WeakPolarHBondContact CA-OG 3.1Å; G140-Y184 WeakPolarHBondContact O-CD2 3.48Å; G140-Y184 VanDerWaalsContact O-CE2 3.26Å; G140-Y184 WeakPolarHBondContact O-CE2 3.25Å
141P97.8Very high95Very high2 Ų247.2 Ų47.21%0.01325%0.245CC..  trans-69.3155.1170.928.5-34.6000112.2T119 E151 D154 L155 S180 Y186T119-P141 HydrophobicContact CG2-CB 4.17Å; P141-E151 HydrophobicContact CB-CB 4.2Å; P141-E151 HydrophobicContact CB-CG 4.18Å; P141-E151 HydrophobicContact CG-CB 4.41Å; P141-E151 WeakPolarHBondContact CG-O 3.34Å; P141-D154 HydrophobicContact CB-CB 3.73Å; P141-D154 HydrophobicContact CG-CB 3.76Å; P141-L155 HydrophobicContact CG-CB 3.95Å; P141-S180 WeakPolarHBondContact CD-OG 3.43Å; P141-S180 WeakPolarHBondContact O-CB 3.12Å; P141-S180 PolarHBondContact O-OG 3.02Å; P141-Y186 HydrophobicContact CG-CD2 4.12Å; P141-Y186 HydrophobicContact CG-CE2 4.04Å
142V96.6Very high95Very high70 Ų7050 Ų5042%0.42426%0.259SS..  trans-105.2105.7179.2-175.10000110.2R144 Y184V142-R144 HydrophobicContact CG1-CG 4.13Å; V142-R144 PolarHBondContact O-N 3.06Å; V142-Y184 CarbonylContact C-O 3.45Å; V142-Y184 HydrophobicContact CG2-CD1 3.88Å; V142-Y184 HydrophobicContact CG2-CD2 3.96Å; V142-Y184 HydrophobicContact CG2-CE1 4.08Å; V142-Y184 HydrophobicContact CG2-CE2 4.15Å; V142-Y184 HydrophobicContact CG2-CG 3.83Å
143A92.1Very high95Very high5 Ų555.9 Ų55.94%0.04129%0.286CS..  trans-90.493-17900000111.1G145 H146 V147 Y184 Y186A143-G145 PolarHBondContact O-N 3.03Å; A143-H146 WeakPolarHBondContact CB-O 3.29Å; A143-V147 HydrophobicContact CB-CG2 3.73Å; A143-Y184 PolarHBondContact N-O 2.77Å; A143-Y186 HydrophobicContact CB-CD2 4.18Å; A143-Y186 HydrophobicContact CB-CG 4.36Å
144R82.3Confident95Very high233 Ų23353.5 Ų53.588%0.87928%0.279SS*.SBendtrans-78.558.6179.7-64.8-174.5177.8175.4-1112.6V142 H146V142-R144 HydrophobicContact CG1-CG 4.13Å; V142-R144 PolarHBondContact O-N 3.06Å; R144-H146 VanDerWaalsContact C-N 3.31Å; R144-H146 PolarHBondContact O-N 3.14Å
145G74.8Confident95Very high85 Ų8552.1 Ų52.188%0.87627%0.274SS*.SBendtrans82.4-0.6179.300000115.6A143A143-G145 PolarHBondContact O-N 3.03Å
146H85.2Confident95Very high139 Ų13954.4 Ų54.464%0.64429%0.288SS*.  trans-137.6156.8169.2179.661.4000109.6A143 R144A143-H146 WeakPolarHBondContact CB-O 3.29Å; R144-H146 VanDerWaalsContact C-N 3.31Å; R144-H146 PolarHBondContact O-N 3.14Å
147V94.2Very high95Very high36 Ų3656.5 Ų56.522%0.21830%0.302CS..  trans-133.9115.4175.21690000106.4A143 E151 I152 Y186 P187A143-V147 HydrophobicContact CB-CG2 3.73Å; V147-E151 HydrophobicContact CG1-CB 4.16Å; V147-I152 HydrophobicContact CG1-CD1 4.25Å; V147-I152 HydrophobicContact CG1-CG1 3.74Å; V147-Y186 HydrophobicContact CG1-CE1 4.16Å; V147-Y186 HydrophobicContact CG1-CE2 4.2Å; V147-Y186 VanDerWaalsContact CG1-OH 3.29Å; V147-Y186 WeakPolarHBondContact CG1-OH 3.46Å; V147-Y186 HydrophobicContact CG2-CD1 4.3Å; V147-Y186 HydrophobicContact CG2-CD2 4.41Å; V147-Y186 HydrophobicContact CG2-CE1 4.09Å; V147-Y186 HydrophobicContact CG2-CE2 4.23Å; V147-Y186 HydrophobicContact CG2-CG 4.45Å; V147-P187 HydrophobicContact CG2-CG 4.42Å
148G94.9Very high95Very high17 Ų1756.5 Ų56.518%0.17530%0.302CS..  trans-107.4-173.4172.700000112.1K150 E151 I152G148-K150 PolarHBondContact O-N 3.21Å; G148-E151 WeakPolarHBondContact CA-OE2 3.32Å; G148-E151 PolarHBondContact N-OE2 2.88Å; G148-E151 PolarHBondContact O-N 3.4Å; G148-I152 WeakPolarHBondContact O-CG1 3.43Å; G148-I152 PolarHBondContact O-N 2.73Å; G148-I152 VanDerWaalsContact O-N 3.11Å
149D96.4Very high95Very high127 Ų12756.5 Ų56.568%0.67930%0.302SS*.Hα-helixtrans-58-32.8-178.4-62.8-39000112.8Q153D149-Q153 WeakPolarHBondContact O-CB 3.28Å; D149-Q153 WeakPolarHBondContact O-CG 3.17Å; D149-Q153 PolarHBondContact O-N 2.79Å
150K96.6Very high95Very high118 Ų11861.1 Ų61.151%0.51332%0.322SS..Hα-helixtrans-65.7-48.9177.4-175.2-175.2176.5-63.80111.4G148 I152 Q153 D154G148-K150 PolarHBondContact O-N 3.21Å; K150-I152 VanDerWaalsContact C-N 3.26Å; K150-I152 PolarHBondContact O-N 3.4Å; K150-Q153 PolarHBondContact O-N 2.86Å; K150-D154 IonicContact NZ-OD1 3.87Å; K150-D154 IonicContact NZ-OD2 2.7Å; K150-D154 PolarHBondContact NZ-OD2 2.65Å; K150-D154 WeakPolarHBondContact O-CB 3.42Å; K150-D154 VanDerWaalsContact O-CG 3.31Å; K150-D154 PolarHBondContact O-N 3.47Å
151E97.9Very high95Very high43 Ų4363.3 Ų63.320%0.20133%0.333CS..Hα-helixtrans-65.9-33.4-179.6-66.564.9-128.400110.9P141 V147 G148 L155 Y186P141-E151 HydrophobicContact CB-CB 4.2Å; P141-E151 HydrophobicContact CB-CG 4.18Å; P141-E151 HydrophobicContact CG-CB 4.41Å; P141-E151 WeakPolarHBondContact CG-O 3.34Å; V147-E151 HydrophobicContact CG1-CB 4.16Å; G148-E151 WeakPolarHBondContact CA-OE2 3.32Å; G148-E151 PolarHBondContact N-OE2 2.88Å; G148-E151 PolarHBondContact O-N 3.4Å; E151-L155 WeakPolarHBondContact O-CB 3.39Å; E151-L155 PolarHBondContact O-N 2.89Å; E151-Y186 HydrophobicContact CB-CE2 3.96Å
152I98.1Very high95.1Very high67 Ų6763.2 Ų63.234%0.34433%0.333SS..Hα-helixtrans-64.8-47.4172.3-64.7166.1000110.9V147 G148 K150 T156 I194V147-I152 HydrophobicContact CG1-CD1 4.25Å; V147-I152 HydrophobicContact CG1-CG1 3.74Å; G148-I152 WeakPolarHBondContact O-CG1 3.43Å; G148-I152 PolarHBondContact O-N 2.73Å; G148-I152 VanDerWaalsContact O-N 3.11Å; K150-I152 VanDerWaalsContact C-N 3.26Å; K150-I152 PolarHBondContact O-N 3.4Å; I152-T156 VanDerWaalsContact O-CB 3.3Å; I152-T156 WeakPolarHBondContact O-CB 3.27Å; I152-T156 PolarHBondContact O-N 3.34Å; I152-T156 PolarHBondContact O-OG1 3.05Å; I152-I194 HydrophobicContact CB-CD1 4.35Å; I152-I194 HydrophobicContact CG1-CD1 4.23Å; I152-I194 HydrophobicContact CG2-CD1 4.02Å
153Q98.4Very high95.2Very high125 Ų12559.9 Ų59.958%0.58431%0.313SS*.Hα-helixtrans-65.9-40.5178.8-74170.232.400112.5D149 K150 S157D149-Q153 WeakPolarHBondContact O-CB 3.28Å; D149-Q153 WeakPolarHBondContact O-CG 3.17Å; D149-Q153 PolarHBondContact O-N 2.79Å; K150-Q153 PolarHBondContact O-N 2.86Å; Q153-S157 VanDerWaalsContact O-CB 3.29Å; Q153-S157 WeakPolarHBondContact O-CB 3.41Å; Q153-S157 PolarHBondContact O-N 3.5Å; Q153-S157 PolarHBondContact O-OG 2.82Å
154D98.6Very high95.5Very high25 Ų2561.9 Ų61.913%0.13432%0.323CS..Hα-helixtrans-64.3-47.8177.1-76.8-17.4000111.1T119 G120 P141 K150 S157 C158T119-D154 HydrophobicContact CG2-CB 3.98Å; T119-D154 WeakPolarHBondContact CG2-OD2 3.45Å; G120-D154 WeakPolarHBondContact CA-O 3.39Å; P141-D154 HydrophobicContact CB-CB 3.73Å; P141-D154 HydrophobicContact CG-CB 3.76Å; K150-D154 IonicContact NZ-OD1 3.87Å; K150-D154 IonicContact NZ-OD2 2.7Å; K150-D154 PolarHBondContact NZ-OD2 2.65Å; K150-D154 WeakPolarHBondContact O-CB 3.42Å; K150-D154 VanDerWaalsContact O-CG 3.31Å; K150-D154 PolarHBondContact O-N 3.47Å; D154-S157 WeakPolarHBondContact O-CB 3.41Å; D154-S157 PolarHBondContact O-N 2.9Å; D154-S157 VanDerWaalsContact O-N 3.16Å; D154-C158 PolarHBondContact O-N 2.92Å; D154-C158 PolarHBondContact O-SG 3.28Å
155L98.7Very high96.3Very high0 Ų051.8 Ų51.80%029%0.286CS..Hα-helixtrans-65.3-42178.7-173.761.6000111.3P141 E151 S157 C158 Y159 I179 Y186 A191 I194P141-L155 HydrophobicContact CG-CB 3.95Å; E151-L155 WeakPolarHBondContact O-CB 3.39Å; E151-L155 PolarHBondContact O-N 2.89Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 2.81Å; L155-C158 WeakPolarHBondContact O-CB 3.38Å; L155-C158 PolarHBondContact O-N 2.62Å; L155-Y159 HydrophobicContact CD1-CD2 4.42Å; L155-Y159 HydrophobicContact CD1-CE2 3.87Å; L155-Y159 HydrophobicContact CG-CD2 4.42Å; L155-Y159 HydrophobicContact CG-CE2 4.1Å; L155-Y159 WeakPolarHBondContact O-CD2 3.35Å; L155-Y159 PolarHBondContact O-N 2.94Å; L155-I179 HydrophobicContact CD1-CB 3.89Å; L155-I179 HydrophobicContact CD1-CG2 3.71Å; L155-Y186 HydrophobicContact CB-CE2 4.09Å; L155-Y186 HydrophobicContact CD2-CD1 4.14Å; L155-Y186 HydrophobicContact CD2-CD2 4.06Å; L155-Y186 HydrophobicContact CD2-CE1 3.86Å; L155-Y186 HydrophobicContact CD2-CE2 3.76Å; L155-Y186 HydrophobicContact CD2-CG 4.24Å; L155-A191 HydrophobicContact CD2-CB 4.04Å; L155-I194 HydrophobicContact CB-CG2 4.26Å; L155-I194 HydrophobicContact CD2-CB 4.26Å; L155-I194 HydrophobicContact CD2-CD1 4.07Å; L155-I194 HydrophobicContact CD2-CG2 4.13Å; L155-I194 HydrophobicContact CG-CG2 3.97Å
156T98.8Very high97.4Very high48 Ų4847.8 Ų47.829%0.29425%0.245SC..Hα-helixtrans-56.3-42.7171.8-57.90000111I152 Y159 K160 I194 T198I152-T156 VanDerWaalsContact O-CB 3.3Å; I152-T156 WeakPolarHBondContact O-CB 3.27Å; I152-T156 PolarHBondContact O-N 3.34Å; I152-T156 PolarHBondContact O-OG1 3.05Å; T156-Y159 PolarHBondContact O-N 3.28Å; T156-K160 WeakPolarHBondContact O-CB 3.48Å; T156-K160 PolarHBondContact O-N 2.82Å; T156-I194 WeakPolarHBondContact OG1-CG2 3.45Å; T156-T198 HydrophobicContact CG2-CG2 4.26Å
157S98.8Very high98.1Very high43 Ų4345.5 Ų45.530%0.30123%0.233SC..Hα-helixtrans-67.1-34.4178.8-610000112.7G120 Q153 D154 L155 K160 N161G120-S157 CarbonylContact O-C 3.49Å; G120-S157 WeakPolarHBondContact O-CB 3.34Å; Q153-S157 VanDerWaalsContact O-CB 3.29Å; Q153-S157 WeakPolarHBondContact O-CB 3.41Å; Q153-S157 PolarHBondContact O-N 3.5Å; Q153-S157 PolarHBondContact O-OG 2.82Å; D154-S157 WeakPolarHBondContact O-CB 3.41Å; D154-S157 PolarHBondContact O-N 2.9Å; D154-S157 VanDerWaalsContact O-N 3.16Å; L155-S157 VanDerWaalsContact C-N 3.26Å; L155-S157 PolarHBondContact O-N 2.81Å; S157-K160 PolarHBondContact O-N 3.36Å; S157-N161 VanDerWaalsContact O-CB 3.26Å; S157-N161 WeakPolarHBondContact O-CB 3.22Å; S157-N161 PolarHBondContact O-N 3.42Å; S157-N161 PolarHBondContact O-ND2 3.29Å; S157-N161 VanDerWaalsContact O-ND2 3.07Å
158C98.9Very high98.3Very high0 Ų050.3 Ų50.30%025%0.253CS..Hα-helixtrans-58.9-51.3175-620000111.4G120 T138 V139 D154 L155 S162 I179G120-C158 PolarHBondContact O-N 2.87Å; T138-C158 HydrophobicContact CG2-CB 4.03Å; T138-C158 VanDerWaalsContact OG1-CA 3.32Å; T138-C158 WeakPolarHBondContact OG1-CA 3.41Å; T138-C158 WeakPolarHBondContact OG1-CB 3.47Å; V139-C158 PolarHBondContact O-SG 2.85Å; V139-C158 VanDerWaalsContact O-SG 3.36Å; D154-C158 PolarHBondContact O-N 2.92Å; D154-C158 PolarHBondContact O-SG 3.28Å; L155-C158 WeakPolarHBondContact O-CB 3.38Å; L155-C158 PolarHBondContact O-N 2.62Å; C158-S162 VanDerWaalsContact O-CB 3.28Å; C158-S162 WeakPolarHBondContact O-CB 3.26Å; C158-S162 PolarHBondContact O-N 2.82Å; C158-S162 PolarHBondContact O-OG 2.96Å; C158-I179 HydrophobicContact CB-CD1 4.16Å; C158-I179 HydrophobicContact CB-CG2 4.41Å
159Y98.9Very high98.4Very high0 Ų054.3 Ų54.30%026%0.264CS..Hα-helixtrans-63.1-47.9177.1-74.3-77.7000111.2L155 T156 S162 L163 F176 P177 I179 A195 V199L155-Y159 HydrophobicContact CD1-CD2 4.42Å; L155-Y159 HydrophobicContact CD1-CE2 3.87Å; L155-Y159 HydrophobicContact CG-CD2 4.42Å; L155-Y159 HydrophobicContact CG-CE2 4.1Å; L155-Y159 WeakPolarHBondContact O-CD2 3.35Å; L155-Y159 PolarHBondContact O-N 2.94Å; T156-Y159 PolarHBondContact O-N 3.28Å; Y159-S162 PolarHBondContact O-N 2.96Å; Y159-L163 WeakPolarHBondContact O-CG 3.44Å; Y159-L163 PolarHBondContact O-N 3.33Å; Y159-L163 VanDerWaalsContact O-N 3.08Å; Y159-F176 AromaticContact CD1-CD1 3.37Å; Y159-F176 HydrophobicContact CD1-CD1 3.37Å; Y159-F176 AromaticContact CD1-CE1 3.47Å; Y159-F176 HydrophobicContact CD1-CE1 3.47Å; Y159-F176 VanDerWaalsContact CD1-CE1 3.47Å; Y159-F176 HydrophobicContact CD1-CG 4Å; Y159-F176 HydrophobicContact CD1-CZ 4.19Å; Y159-F176 HydrophobicContact CE1-CB 4.01Å; Y159-F176 AromaticContact CE1-CD1 3.36Å; Y159-F176 HydrophobicContact CE1-CD1 3.36Å; Y159-F176 AromaticContact CE1-CE1 3.98Å; Y159-F176 HydrophobicContact CE1-CE1 3.98Å; Y159-F176 AromaticContact CE1-CG 3.82Å; Y159-F176 HydrophobicContact CE1-CG 3.82Å; Y159-F176 HydrophobicContact CG-CE1 4.34Å; Y159-P177 PolarHBondContact OH-O 3.24Å; Y159-I179 HydrophobicContact CD1-CD1 4.42Å; Y159-I179 HydrophobicContact CE1-CD1 3.99Å; Y159-I179 HydrophobicContact CE2-CB 4.37Å; Y159-I179 HydrophobicContact CE2-CD1 4.13Å; Y159-I179 PolarHBondContact OH-N 3.05Å; Y159-A195 HydrophobicContact CD1-CB 4.4Å; Y159-A195 HydrophobicContact CD2-CB 4.28Å; Y159-A195 HydrophobicContact CE1-CB 3.77Å; Y159-A195 HydrophobicContact CE2-CB 3.64Å; Y159-V199 HydrophobicContact CD1-CG2 4.39Å
160K98.8Very high98.5Very high99 Ų9953.4 Ų53.443%0.4326%0.258SS..Hα-helixtrans-62.7-53.2-178.2-165.4-157.2172.9-1490112.7T156 S157 S162 L163 D164 T198T156-K160 WeakPolarHBondContact O-CB 3.48Å; T156-K160 PolarHBondContact O-N 2.82Å; S157-K160 PolarHBondContact O-N 3.36Å; K160-S162 PolarHBondContact O-N 3.46Å; K160-L163 PolarHBondContact O-N 2.83Å; K160-L163 VanDerWaalsContact O-N 3.08Å; K160-D164 WeakPolarHBondContact CE-OD2 3.16Å; K160-D164 IonicContact NZ-OD2 3.45Å; K160-D164 PolarHBondContact NZ-OD2 3.3Å; K160-D164 PolarHBondContact O-N 3.03Å; K160-T198 HydrophobicContact CB-CG2 4.31Å
161N98.9Very high98.6Very high47 Ų4747.9 Ų47.925%0.25124%0.235SC..Hα-helixtrans-65.4-28.5-177.3-67.5-41.8000111.9G120 A122 S157 L165G120-N161 PolarHBondContact O-ND2 3.39Å; A122-N161 HydrophobicContact CB-CB 4.14Å; S157-N161 VanDerWaalsContact O-CB 3.26Å; S157-N161 WeakPolarHBondContact O-CB 3.22Å; S157-N161 PolarHBondContact O-N 3.42Å; S157-N161 PolarHBondContact O-ND2 3.29Å; S157-N161 VanDerWaalsContact O-ND2 3.07Å; N161-L165 WeakPolarHBondContact O-CG 3.33Å; N161-L165 PolarHBondContact O-N 3Å; N161-L165 VanDerWaalsContact O-N 3.11Å
162S98.9Very high98.6Very high0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-68.7-41.5171.8-58.70000112.3C158 Y159 K160 L165 V166C158-S162 VanDerWaalsContact O-CB 3.28Å; C158-S162 WeakPolarHBondContact O-CB 3.26Å; C158-S162 PolarHBondContact O-N 2.82Å; C158-S162 PolarHBondContact O-OG 2.96Å; Y159-S162 PolarHBondContact O-N 2.96Å; K160-S162 PolarHBondContact O-N 3.46Å; S162-L165 PolarHBondContact O-N 3.01Å; S162-V166 WeakPolarHBondContact O-CG2 3.28Å; S162-V166 PolarHBondContact O-N 3.28Å; S162-V166 VanDerWaalsContact O-N 3.1Å
163L98.9Very high98.7Very high0 Ų047 Ų470%023%0.226CC..Hα-helixtrans-70.9-36175.5-65.6167.4000112.4Y159 K160 L165 V166 K167 V174 F176 V199 W202 V213Y159-L163 WeakPolarHBondContact O-CG 3.44Å; Y159-L163 PolarHBondContact O-N 3.33Å; Y159-L163 VanDerWaalsContact O-N 3.08Å; K160-L163 PolarHBondContact O-N 2.83Å; K160-L163 VanDerWaalsContact O-N 3.08Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.79Å; L163-V166 WeakPolarHBondContact O-CB 3.46Å; L163-V166 PolarHBondContact O-N 2.96Å; L163-K167 PolarHBondContact O-N 2.85Å; L163-V174 HydrophobicContact CD2-CG1 4.06Å; L163-F176 HydrophobicContact CD2-CE2 3.71Å; L163-F176 HydrophobicContact CD2-CZ 3.91Å; L163-F176 HydrophobicContact CG-CE2 4.2Å; L163-F176 HydrophobicContact CG-CZ 3.9Å; L163-V199 HydrophobicContact CD1-CG2 4.13Å; L163-W202 HydrophobicContact CB-CD2 3.6Å; L163-W202 VanDerWaalsContact CB-CE2 3.46Å; L163-W202 HydrophobicContact CB-CE3 4.13Å; L163-W202 HydrophobicContact CB-CG 3.9Å; L163-W202 HydrophobicContact CB-CH2 4.39Å; L163-W202 HydrophobicContact CB-CZ2 3.89Å; L163-W202 HydrophobicContact CD1-CB 3.65Å; L163-W202 HydrophobicContact CD1-CD2 3.86Å; L163-W202 HydrophobicContact CD1-CE3 4.21Å; L163-W202 HydrophobicContact CD1-CG 3.58Å; L163-W202 HydrophobicContact CD2-CE3 4.28Å; L163-W202 HydrophobicContact CG-CD2 4.2Å; L163-W202 HydrophobicContact CG-CE3 4.45Å; L163-W202 HydrophobicContact CG-CG 4.34Å; L163-W202 WeakPolarHBondContact O-CZ2 3.4Å; L163-V213 HydrophobicContact CD2-CG2 4.27Å
164D98.8Very high98.7Very high48 Ų4841.1 Ų41.126%0.25720%0.198SC..Hα-helixtrans-63.5-37.5174.9-71.4-18.8000110.7K160 K167 E168 W202K160-D164 WeakPolarHBondContact CE-OD2 3.16Å; K160-D164 IonicContact NZ-OD2 3.45Å; K160-D164 PolarHBondContact NZ-OD2 3.3Å; K160-D164 PolarHBondContact O-N 3.03Å; D164-K167 PolarHBondContact O-N 3.36Å; D164-E168 WeakPolarHBondContact O-CB 3.32Å; D164-E168 PolarHBondContact O-N 3.05Å; D164-W202 PolarHBondContact OD1-NE1 3.05Å
165L98.8Very high98.7Very high21 Ų2139.9 Ų39.911%0.1119%0.192CC..Hα-helixtrans-65.8-39.4169.7-78171.1000113.4A122 I124 I136 N161 S162 L163 K167 E168 Y169A122-L165 HydrophobicContact CB-CD1 3.64Å; I124-L165 HydrophobicContact CB-CD1 4.44Å; I124-L165 HydrophobicContact CG2-CD2 4.28Å; I136-L165 HydrophobicContact CD1-CB 4.26Å; I136-L165 HydrophobicContact CG2-CD1 3.97Å; N161-L165 WeakPolarHBondContact O-CG 3.33Å; N161-L165 PolarHBondContact O-N 3Å; N161-L165 VanDerWaalsContact O-N 3.11Å; S162-L165 PolarHBondContact O-N 3.01Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.79Å; L165-K167 PolarHBondContact O-N 2.8Å; L165-E168 PolarHBondContact O-N 2.73Å; L165-Y169 HydrophobicContact CD2-CD2 4.35Å; L165-Y169 HydrophobicContact CD2-CE2 3.95Å; L165-Y169 WeakPolarHBondContact O-CD2 3.37Å; L165-Y169 PolarHBondContact O-N 2.71Å
166V98.7Very high98.7Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-56.3-42.7173.21650000110.5I136 S162 L163 D170 L171 V174 I210I136-V166 HydrophobicContact CD1-CG2 3.55Å; S162-V166 WeakPolarHBondContact O-CG2 3.28Å; S162-V166 PolarHBondContact O-N 3.28Å; S162-V166 VanDerWaalsContact O-N 3.1Å; L163-V166 WeakPolarHBondContact O-CB 3.46Å; L163-V166 PolarHBondContact O-N 2.96Å; V166-D170 PolarHBondContact O-N 3.15Å; V166-L171 HydrophobicContact CB-CB 4.49Å; V166-L171 HydrophobicContact CG1-CB 4.05Å; V166-L171 WeakPolarHBondContact CG1-O 3.35Å; V166-L171 PolarHBondContact O-N 3.45Å; V166-V174 HydrophobicContact CG2-CB 3.81Å; V166-V174 HydrophobicContact CG2-CG1 4.16Å; V166-V174 HydrophobicContact CG2-CG2 3.85Å; V166-I210 HydrophobicContact CG1-CD1 3.84Å
167K98.5Very high98.7Very high92 Ų9238.2 Ų38.240%0.418%0.181SC..Hα-helixtrans-71.3-37.4175.8172.6179.3175.5-176.10113.9L163 D164 L165 Y169 D170 W202 N206 K209L163-K167 PolarHBondContact O-N 2.85Å; D164-K167 PolarHBondContact O-N 3.36Å; L165-K167 PolarHBondContact O-N 2.8Å; K167-Y169 VanDerWaalsContact C-N 3.33Å; K167-D170 PolarHBondContact O-N 2.87Å; K167-W202 HydrophobicContact CB-CH2 4Å; K167-W202 HydrophobicContact CB-CZ2 3.74Å; K167-W202 HydrophobicContact CD-CZ2 3.99Å; K167-N206 WeakPolarHBondContact CD-OD1 3.33Å; K167-N206 WeakPolarHBondContact CE-OD1 3.45Å; K167-N206 PolarHBondContact NZ-OD1 2.72Å; K167-K209 HydrophobicContact CD-CG 4.25Å; K167-K209 HydrophobicContact CG-CG 4.14Å
168E98.5Very high98.7Very high137 Ų13737.1 Ų37.164%0.6417%0.173SC*.Hα-helixtrans-64.7-36.9178.1-176.6-176144.700112D164 L165D164-E168 WeakPolarHBondContact O-CB 3.32Å; D164-E168 PolarHBondContact O-N 3.05Å; L165-E168 PolarHBondContact O-N 2.73Å
169Y98.3Very high98.7Very high101 Ų10137.1 Ų37.140%0.39617%0.173SC..THydrogen-bonded Turntrans-95.611.6-178.1-73.6-109.7000113.5I124 L165 K167 L171I124-Y169 HydrophobicContact CD1-CD1 4.16Å; I124-Y169 HydrophobicContact CD1-CD2 4.3Å; I124-Y169 HydrophobicContact CD1-CG 4.04Å; I124-Y169 HydrophobicContact CG2-CD1 4.43Å; I124-Y169 HydrophobicContact CG2-CD2 4.26Å; I124-Y169 HydrophobicContact CG2-CE1 3.84Å; I124-Y169 HydrophobicContact CG2-CE2 3.69Å; I124-Y169 VanDerWaalsContact CG2-CZ 3.46Å; L165-Y169 HydrophobicContact CD2-CD2 4.35Å; L165-Y169 HydrophobicContact CD2-CE2 3.95Å; L165-Y169 WeakPolarHBondContact O-CD2 3.37Å; L165-Y169 PolarHBondContact O-N 2.71Å; K167-Y169 VanDerWaalsContact C-N 3.33Å; Y169-L171 WeakPolarHBondContact O-CD2 3.36Å; Y169-L171 PolarHBondContact O-N 3.47Å
170D98.2Very high98.6Very high107 Ų10737.4 Ų37.457%0.57218%0.175SC*.THydrogen-bonded Turntrans44.840.9-173-164.128.5000114V166 K167 R172V166-D170 PolarHBondContact O-N 3.15Å; K167-D170 PolarHBondContact O-N 2.87Å; D170-R172 IonicContact OD1-CZ 2.95Å; D170-R172 IonicContact OD1-NH1 2.78Å; D170-R172 PolarHBondContact OD1-NH1 3.17Å
171L98.5Very high98.4Very high3 Ų333.9 Ų33.92%0.01616%0.162CC..  trans-83137.5175.4-50.4-174.8000108.9D79 A80 I124 Y134 V166 Y169D79-L171 HydrophobicContact CB-CB 3.88Å; D79-L171 HydrophobicContact CB-CD2 4.21Å; D79-L171 HydrophobicContact CB-CG 4.45Å; A80-L171 HydrophobicContact CB-CD1 3.94Å; I124-L171 HydrophobicContact CD1-CD1 3.94Å; Y134-L171 HydrophobicContact CD2-CD1 3.71Å; Y134-L171 HydrophobicContact CD2-CD2 3.7Å; Y134-L171 HydrophobicContact CD2-CG 4.39Å; Y134-L171 HydrophobicContact CE2-CD1 4.29Å; Y134-L171 HydrophobicContact CE2-CD2 3.5Å; Y134-L171 HydrophobicContact CG-CD1 4.21Å; V166-L171 HydrophobicContact CB-CB 4.49Å; V166-L171 HydrophobicContact CG1-CB 4.05Å; V166-L171 WeakPolarHBondContact CG1-O 3.35Å; V166-L171 PolarHBondContact O-N 3.45Å; Y169-L171 WeakPolarHBondContact O-CD2 3.36Å; Y169-L171 PolarHBondContact O-N 3.47Å
172R98.4Very high98.1Very high88 Ų8834.3 Ų34.333%0.33218%0.178SC..  trans-106.2-15.4-169.2-47.1-58.8-67.7-170.33.3112.4D79 D170 D208 I210 T211 R212D79-R172 PolarHBondContact OD2-N 2.7Å; D79-R172 VanDerWaalsContact OD2-N 3.14Å; D170-R172 IonicContact OD1-CZ 2.95Å; D170-R172 IonicContact OD1-NH1 2.78Å; D170-R172 PolarHBondContact OD1-NH1 3.17Å; R172-D208 PolarHBondContact NH2-O 2.66Å; R172-I210 WeakPolarHBondContact O-CD1 3.46Å; R172-T211 WeakPolarHBondContact O-CA 3.16Å; R172-T211 WeakPolarHBondContact O-CB 3.26Å; R172-T211 PolarHBondContact O-N 2.83Å; R172-R212 PolarHBondContact O-N 3.41Å
173T98.8Very high97.7Very high4 Ų442 Ų423%0.02522%0.217CC..EExtended strand (participates in β ladder)trans-139.4133.1-176.854.10000112.1L34 D79 A80 R212L34-T173 HydrophobicContact CD1-CG2 3.97Å; L34-T173 HydrophobicContact CD2-CG2 3.72Å; L34-T173 HydrophobicContact CG-CG2 4.49Å; D79-T173 VanDerWaalsContact CG-OG1 3.29Å; D79-T173 PolarHBondContact N-O 2.95Å; D79-T173 PolarHBondContact N-OG1 3.47Å; D79-T173 PolarHBondContact OD2-N 3.08Å; D79-T173 PolarHBondContact OD2-OG1 3.28Å; A80-T173 PolarHBondContact N-O 3.1Å; T173-R212 WeakPolarHBondContact CA-O 3.4Å; T173-R212 HydrophobicContact CG2-CB 4.16Å
174V98.9Very high97.5Very high0 Ų044.2 Ų44.20%023%0.226CC..EExtended strand (participates in β ladder)trans-141.5140.5-178.663.80000112.3A80 V82 L163 V166 F176 I210 R212 V213 I214A80-V174 HydrophobicContact CB-CG2 4.2Å; A80-V174 CarbonylContact O-C 3.5Å; A80-V174 VanDerWaalsContact O-CA 3.25Å; A80-V174 WeakPolarHBondContact O-CA 2.89Å; V82-V174 HydrophobicContact CG2-CG2 3.71Å; L163-V174 HydrophobicContact CD2-CG1 4.06Å; V166-V174 HydrophobicContact CG2-CB 3.81Å; V166-V174 HydrophobicContact CG2-CG1 4.16Å; V166-V174 HydrophobicContact CG2-CG2 3.85Å; V174-F176 HydrophobicContact CG1-CD2 4.34Å; V174-F176 HydrophobicContact CG1-CE2 3.79Å; V174-F176 HydrophobicContact CG2-CD2 4.29Å; V174-F176 HydrophobicContact CG2-CE2 3.89Å; V174-F176 HydrophobicContact CG2-CZ 4.45Å; V174-I210 HydrophobicContact CG1-CD1 4.04Å; V174-R212 PolarHBondContact N-O 2.88Å; V174-V213 HydrophobicContact CG1-CB 4.44Å; V174-V213 HydrophobicContact CG1-CG1 4.22Å; V174-V213 HydrophobicContact CG1-CG2 4.05Å; V174-V213 CarbonylContact O-C 3.58Å; V174-V213 WeakPolarHBondContact O-CA 3.44Å; V174-I214 PolarHBondContact O-N 2.82Å
175A98.9Very high97.3Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-112.9134.7171.900000112.2I73 L76 V78 A80 I81 V82 I214I73-A175 HydrophobicContact CD1-CB 4.22Å; I73-A175 HydrophobicContact CG1-CB 4.19Å; L76-A175 HydrophobicContact CD1-CB 3.6Å; V78-A175 HydrophobicContact CG2-CB 4.4Å; A80-A175 PolarHBondContact O-N 3.11Å; I81-A175 HydrophobicContact CG2-CB 4.22Å; V82-A175 WeakPolarHBondContact CB-O 3.15Å; V82-A175 PolarHBondContact N-O 3.17Å; A175-I214 CarbonylContact C-O 3.47Å; A175-I214 WeakPolarHBondContact CA-O 3.26Å; A175-I214 HydrophobicContact CB-CB 3.98Å
176F98.9Very high97.2Very high2 Ų243 Ų431%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-112.5131.8178.6-78-92.3000111.8V82 Y159 L163 V174 I179 V213 I214 C216V82-F176 HydrophobicContact CB-CD1 3.96Å; V82-F176 HydrophobicContact CB-CE1 4.24Å; V82-F176 HydrophobicContact CB-CG 4.42Å; V82-F176 HydrophobicContact CG1-CD1 3.95Å; V82-F176 HydrophobicContact CG1-CE1 4.07Å; V82-F176 HydrophobicContact CG2-CD1 3.77Å; V82-F176 HydrophobicContact CG2-CD2 4.38Å; V82-F176 HydrophobicContact CG2-CE1 3.65Å; V82-F176 HydrophobicContact CG2-CE2 4.27Å; V82-F176 HydrophobicContact CG2-CG 4.14Å; V82-F176 HydrophobicContact CG2-CZ 3.91Å; Y159-F176 AromaticContact CD1-CD1 3.37Å; Y159-F176 HydrophobicContact CD1-CD1 3.37Å; Y159-F176 AromaticContact CD1-CE1 3.47Å; Y159-F176 HydrophobicContact CD1-CE1 3.47Å; Y159-F176 VanDerWaalsContact CD1-CE1 3.47Å; Y159-F176 HydrophobicContact CD1-CG 4Å; Y159-F176 HydrophobicContact CD1-CZ 4.19Å; Y159-F176 HydrophobicContact CE1-CB 4.01Å; Y159-F176 AromaticContact CE1-CD1 3.36Å; Y159-F176 HydrophobicContact CE1-CD1 3.36Å; Y159-F176 AromaticContact CE1-CE1 3.98Å; Y159-F176 HydrophobicContact CE1-CE1 3.98Å; Y159-F176 AromaticContact CE1-CG 3.82Å; Y159-F176 HydrophobicContact CE1-CG 3.82Å; Y159-F176 HydrophobicContact CG-CE1 4.34Å; L163-F176 HydrophobicContact CD2-CE2 3.71Å; L163-F176 HydrophobicContact CD2-CZ 3.91Å; L163-F176 HydrophobicContact CG-CE2 4.2Å; L163-F176 HydrophobicContact CG-CZ 3.9Å; V174-F176 HydrophobicContact CG1-CD2 4.34Å; V174-F176 HydrophobicContact CG1-CE2 3.79Å; V174-F176 HydrophobicContact CG2-CD2 4.29Å; V174-F176 HydrophobicContact CG2-CE2 3.89Å; V174-F176 HydrophobicContact CG2-CZ 4.45Å; F176-I179 HydrophobicContact CD1-CD1 4.1Å; F176-V213 HydrophobicContact CD2-CG1 3.73Å; F176-V213 HydrophobicContact CE2-CG1 3.99Å; F176-I214 PolarHBondContact N-O 3.38Å; F176-C216 PolarHBondContact O-N 2.92Å
177P98.8Very high97.1Very high10 Ų1046 Ų467%0.06525%0.248CC..  trans-78.4175.5164.535.5-34.5000110.8I73 V82 A84 V95 Y159 I179I73-P177 HydrophobicContact CD1-CB 4.23Å; I73-P177 HydrophobicContact CD1-CG 4.33Å; V82-P177 WeakPolarHBondContact O-CD 3.45Å; V82-P177 WeakPolarHBondContact O-CG 3.4Å; A84-P177 HydrophobicContact CB-CG 4.15Å; V95-P177 HydrophobicContact CG2-CB 4.38Å; Y159-P177 PolarHBondContact OH-O 3.24Å; P177-I179 HydrophobicContact CG-CG1 4.34Å; P177-I179 PolarHBondContact O-N 3.37Å
178C98.3Very high97.1Very high20 Ų2043.8 Ų43.814%0.13524%0.241CC..  trans-74.488.3169-53.10000110.1T181C178-T181 HydrophobicContact CB-CG2 4.17Å; C178-T181 WeakPolarHBondContact CB-OG1 3.43Å; C178-T181 PolarHBondContact O-OG1 3.25Å
179I98.4Very high97Very high1 Ų140.9 Ų40.91%0.00523%0.228CC..THydrogen-bonded Turntrans-62.7137.9-178.4-59.2170.4000109.6V82 A84 T138 L155 C158 Y159 F176 P177 T181V82-I179 HydrophobicContact CG1-CD1 4.2Å; A84-I179 HydrophobicContact CB-CB 4.49Å; A84-I179 HydrophobicContact CB-CG1 4.19Å; A84-I179 HydrophobicContact CB-CG2 4.44Å; T138-I179 HydrophobicContact CG2-CD1 3.68Å; L155-I179 HydrophobicContact CD1-CB 3.89Å; L155-I179 HydrophobicContact CD1-CG2 3.71Å; C158-I179 HydrophobicContact CB-CD1 4.16Å; C158-I179 HydrophobicContact CB-CG2 4.41Å; Y159-I179 HydrophobicContact CD1-CD1 4.42Å; Y159-I179 HydrophobicContact CE1-CD1 3.99Å; Y159-I179 HydrophobicContact CE2-CB 4.37Å; Y159-I179 HydrophobicContact CE2-CD1 4.13Å; Y159-I179 PolarHBondContact OH-N 3.05Å; F176-I179 HydrophobicContact CD1-CD1 4.1Å; P177-I179 HydrophobicContact CG-CG1 4.34Å; P177-I179 PolarHBondContact O-N 3.37Å; I179-T181 PolarHBondContact O-N 3.34Å
180S97Very high96.9Very high6 Ų639 Ų394%0.04223%0.228CC..THydrogen-bonded Turntrans61.3-7.5-178.2-64.50000119G140 P141 G182 Y184 G185 Y186G140-S180 VanDerWaalsContact C-OG 3.31Å; G140-S180 VanDerWaalsContact CA-OG 3.22Å; G140-S180 WeakPolarHBondContact CA-OG 3.1Å; P141-S180 WeakPolarHBondContact CD-OG 3.43Å; P141-S180 WeakPolarHBondContact O-CB 3.12Å; P141-S180 PolarHBondContact O-OG 3.02Å; S180-G182 VanDerWaalsContact C-N 3.28Å; S180-G182 PolarHBondContact O-N 3.09Å; S180-Y184 CarbonylContact O-C 3.57Å; S180-Y184 WeakPolarHBondContact O-CB 3.35Å; S180-G185 PolarHBondContact O-N 3.3Å; S180-Y186 WeakPolarHBondContact O-CB 3.46Å; S180-Y186 PolarHBondContact O-N 3.46Å
181T95.5Very high96.9Very high24 Ų2434 Ų3415%0.14720%0.201CC..SBendtrans-78.7-7.3-176.668.70000115C178 I179 Y186 A191C178-T181 HydrophobicContact CB-CG2 4.17Å; C178-T181 WeakPolarHBondContact CB-OG1 3.43Å; C178-T181 PolarHBondContact O-OG1 3.25Å; I179-T181 PolarHBondContact O-N 3.34Å; T181-Y186 WeakPolarHBondContact CA-O 3.22Å; T181-A191 HydrophobicContact CG2-CB 3.47Å; T181-A191 VanDerWaalsContact CG2-CB 3.47Å
182G92.1Very high96.9Very high56 Ų5633.9 Ų33.958%0.57720%0.2SC*.SBendtrans-83.9-129.117300000112.8S180 Y184 G185S180-G182 VanDerWaalsContact C-N 3.28Å; S180-G182 PolarHBondContact O-N 3.09Å; G182-Y184 PolarHBondContact O-N 2.9Å; G182-G185 PolarHBondContact O-N 2.98Å
183I91.4Very high96.9Very high161 Ų16133.2 Ų33.283%0.82620%0.204SC*.THydrogen-bonded Turntrans-59.4-12.8-178.859.2167.1000115
184Y93.2Very high96.9Very high47 Ų4734.1 Ų34.118%0.18421%0.208CC..THydrogen-bonded Turntrans-86.3-4.5175.2-75.17.5000113.5N86 G140 V142 A143 S180 G182 Y186N86-Y184 WeakPolarHBondContact CA-OH 3.48Å; N86-Y184 WeakPolarHBondContact CB-OH 3.43Å; G140-Y184 WeakPolarHBondContact O-CD2 3.48Å; G140-Y184 VanDerWaalsContact O-CE2 3.26Å; G140-Y184 WeakPolarHBondContact O-CE2 3.25Å; V142-Y184 CarbonylContact C-O 3.45Å; V142-Y184 HydrophobicContact CG2-CD1 3.88Å; V142-Y184 HydrophobicContact CG2-CD2 3.96Å; V142-Y184 HydrophobicContact CG2-CE1 4.08Å; V142-Y184 HydrophobicContact CG2-CE2 4.15Å; V142-Y184 HydrophobicContact CG2-CG 3.83Å; A143-Y184 PolarHBondContact N-O 2.77Å; S180-Y184 CarbonylContact O-C 3.57Å; S180-Y184 WeakPolarHBondContact O-CB 3.35Å; G182-Y184 PolarHBondContact O-N 2.9Å; Y184-Y186 VanDerWaalsContact C-N 3.35Å; Y184-Y186 PolarHBondContact O-N 3.47Å
185G95Very high96.9Very high41 Ų4134.1 Ų34.142%0.42321%0.208SC..  trans74.810.2163.800000116.9S180 G182 P187S180-G185 PolarHBondContact O-N 3.3Å; G182-G185 PolarHBondContact O-N 2.98Å; G185-P187 WeakPolarHBondContact O-CD 3.26Å
186Y97.3Very high96.9Very high2 Ų234.1 Ų34.11%0.00821%0.208CC..  trans-70.5125.2-178.9-150.9-64.9000110.7P141 A143 V147 E151 L155 S180 T181 Y184 N188 P190 A191 I194P141-Y186 HydrophobicContact CG-CD2 4.12Å; P141-Y186 HydrophobicContact CG-CE2 4.04Å; A143-Y186 HydrophobicContact CB-CD2 4.18Å; A143-Y186 HydrophobicContact CB-CG 4.36Å; V147-Y186 HydrophobicContact CG1-CE1 4.16Å; V147-Y186 HydrophobicContact CG1-CE2 4.2Å; V147-Y186 VanDerWaalsContact CG1-OH 3.29Å; V147-Y186 WeakPolarHBondContact CG1-OH 3.46Å; V147-Y186 HydrophobicContact CG2-CD1 4.3Å; V147-Y186 HydrophobicContact CG2-CD2 4.41Å; V147-Y186 HydrophobicContact CG2-CE1 4.09Å; V147-Y186 HydrophobicContact CG2-CE2 4.23Å; V147-Y186 HydrophobicContact CG2-CG 4.45Å; E151-Y186 HydrophobicContact CB-CE2 3.96Å; L155-Y186 HydrophobicContact CB-CE2 4.09Å; L155-Y186 HydrophobicContact CD2-CD1 4.14Å; L155-Y186 HydrophobicContact CD2-CD2 4.06Å; L155-Y186 HydrophobicContact CD2-CE1 3.86Å; L155-Y186 HydrophobicContact CD2-CE2 3.76Å; L155-Y186 HydrophobicContact CD2-CG 4.24Å; S180-Y186 WeakPolarHBondContact O-CB 3.46Å; S180-Y186 PolarHBondContact O-N 3.46Å; T181-Y186 WeakPolarHBondContact CA-O 3.22Å; Y184-Y186 VanDerWaalsContact C-N 3.35Å; Y184-Y186 PolarHBondContact O-N 3.47Å; Y186-N188 PolarHBondContact O-N 2.88Å; Y186-P190 HydrophobicContact CE1-CB 4.32Å; Y186-A191 HydrophobicContact CD1-CB 3.75Å; Y186-A191 HydrophobicContact CE1-CB 4.22Å; Y186-A191 HydrophobicContact CG-CB 4.49Å; Y186-I194 HydrophobicContact CE1-CD1 4.24Å; Y186-I194 WeakPolarHBondContact OH-CD1 3.28Å
187P96.8Very high96.9Very high64 Ų6435.7 Ų35.742%0.41623%0.225SC..  trans-57.7127.7-178.8-27.536.7000113V147 G185 E189 P190 A191V147-P187 HydrophobicContact CG2-CG 4.42Å; G185-P187 WeakPolarHBondContact O-CD 3.26Å; P187-E189 PolarHBondContact O-N 3.13Å; P187-P190 HydrophobicContact CB-CG 4.14Å; P187-P190 WeakPolarHBondContact O-CD 3.42Å; P187-A191 WeakPolarHBondContact O-CB 3.47Å; P187-A191 PolarHBondContact O-N 3.29Å
188N97.4Very high96.9Very high46 Ų4636.3 Ų36.325%0.24623%0.228CC..Hα-helixtrans-58.3-42.1-169.7-54.273.9000113.7Y186 A191 A192 D222 I225Y186-N188 PolarHBondContact O-N 2.88Å; N188-A191 PolarHBondContact O-N 3.4Å; N188-A192 WeakPolarHBondContact O-CB 3.5Å; N188-A192 PolarHBondContact O-N 3.46Å; N188-D222 WeakPolarHBondContact CB-OD1 3.46Å; N188-D222 PolarHBondContact ND2-OD1 2.58Å; N188-D222 PolarHBondContact ND2-OD2 3.07Å; N188-I225 HydrophobicContact CB-CD1 3.67Å
189E96.9Very high96.9Very high76 Ų7635.4 Ų35.436%0.35522%0.222SC..Hα-helixtrans-69.1-49.4-176.2-166.1164.5-162.100112.3P187 A191 A192 D193 I225 K228 K229P187-E189 PolarHBondContact O-N 3.13Å; E189-A191 PolarHBondContact O-N 3.32Å; E189-A192 PolarHBondContact O-N 2.88Å; E189-D193 PolarHBondContact O-N 3.05Å; E189-I225 HydrophobicContact CB-CD1 4.21Å; E189-I225 HydrophobicContact CB-CG2 4.36Å; E189-I225 HydrophobicContact CG-CG2 4.22Å; E189-K228 IonicContact OE1-NZ 3.81Å; E189-K228 PolarHBondContact OE1-NZ 2.81Å; E189-K228 IonicContact OE2-NZ 2.67Å; E189-K229 VanDerWaalsContact CG-NZ 3.28Å; E189-K229 WeakPolarHBondContact O-CE 3.29Å; E189-K229 IonicContact OE1-NZ 3.56Å; E189-K229 PolarHBondContact OE1-NZ 3.5Å
190P97.1Very high96.8Very high62 Ų6237.2 Ų37.240%0.40323%0.23SC..Hα-helixtrans-59.9-37.8168.7-27.936000115.3Y186 P187 A192 D193 I194Y186-P190 HydrophobicContact CE1-CB 4.32Å; P187-P190 HydrophobicContact CB-CG 4.14Å; P187-P190 WeakPolarHBondContact O-CD 3.42Å; P190-A192 VanDerWaalsContact C-N 3.3Å; P190-A192 PolarHBondContact O-N 2.83Å; P190-D193 PolarHBondContact O-N 3.01Å; P190-I194 PolarHBondContact O-N 3.14Å; P190-I194 VanDerWaalsContact O-N 3.17Å
191A98.2Very high96.9Very high1 Ų142.6 Ų42.61%0.00825%0.253CS..Hα-helixtrans-61.8-40.5176.400000111.5L155 T181 Y186 P187 N188 E189 I194 A195L155-A191 HydrophobicContact CD2-CB 4.04Å; T181-A191 HydrophobicContact CG2-CB 3.47Å; T181-A191 VanDerWaalsContact CG2-CB 3.47Å; Y186-A191 HydrophobicContact CD1-CB 3.75Å; Y186-A191 HydrophobicContact CE1-CB 4.22Å; Y186-A191 HydrophobicContact CG-CB 4.49Å; P187-A191 WeakPolarHBondContact O-CB 3.47Å; P187-A191 PolarHBondContact O-N 3.29Å; N188-A191 PolarHBondContact O-N 3.4Å; E189-A191 PolarHBondContact O-N 3.32Å; A191-I194 PolarHBondContact O-N 3.05Å; A191-A195 WeakPolarHBondContact O-CB 3.4Å; A191-A195 PolarHBondContact O-N 3.21Å
192A98.5Very high97Very high0 Ų041.7 Ų41.70%025%0.247CC..Hα-helixtrans-66.5-37.1175.800000112.6N188 E189 P190 I194 A195 L196 I225 Y226 K229N188-A192 WeakPolarHBondContact O-CB 3.5Å; N188-A192 PolarHBondContact O-N 3.46Å; E189-A192 PolarHBondContact O-N 2.88Å; P190-A192 VanDerWaalsContact C-N 3.3Å; P190-A192 PolarHBondContact O-N 2.83Å; A192-I194 VanDerWaalsContact C-N 3.35Å; A192-I194 PolarHBondContact O-N 3.28Å; A192-A195 PolarHBondContact O-N 2.73Å; A192-L196 VanDerWaalsContact O-CB 3.26Å; A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.3Å; A192-I225 HydrophobicContact CB-CG2 3.54Å; A192-Y226 HydrophobicContact CB-CD2 3.79Å; A192-Y226 HydrophobicContact CB-CE2 3.45Å; A192-Y226 VanDerWaalsContact CB-CE2 3.45Å; A192-Y226 HydrophobicContact CB-CG 4.49Å; A192-K229 HydrophobicContact CB-CD 3.82Å
193D98.2Very high97.3Very high75 Ų7539.1 Ų39.140%0.40122%0.219SC..Hα-helixtrans-60.8-44.3173.8-71.7-50.3000111.7E189 P190 G197 K229E189-D193 PolarHBondContact O-N 3.05Å; P190-D193 PolarHBondContact O-N 3.01Å; D193-G197 PolarHBondContact O-N 2.84Å; D193-K229 WeakPolarHBondContact OD1-CD 3.36Å; D193-K229 WeakPolarHBondContact OD1-CE 3.08Å; D193-K229 IonicContact OD1-NZ 3.49Å; D193-K229 PolarHBondContact OD1-NZ 3.42Å; D193-K229 IonicContact OD2-NZ 3.51Å; D193-K229 PolarHBondContact OD2-NZ 2.72Å
194I98.6Very high97.4Very high23 Ų2336.2 Ų36.212%0.11820%0.202CC..Hα-helixtrans-65.3-47.2177.6-68.5163.4000111.1I152 L155 T156 Y186 P190 A191 A192 T198I152-I194 HydrophobicContact CB-CD1 4.35Å; I152-I194 HydrophobicContact CG1-CD1 4.23Å; I152-I194 HydrophobicContact CG2-CD1 4.02Å; L155-I194 HydrophobicContact CB-CG2 4.26Å; L155-I194 HydrophobicContact CD2-CB 4.26Å; L155-I194 HydrophobicContact CD2-CD1 4.07Å; L155-I194 HydrophobicContact CD2-CG2 4.13Å; L155-I194 HydrophobicContact CG-CG2 3.97Å; T156-I194 WeakPolarHBondContact OG1-CG2 3.45Å; Y186-I194 HydrophobicContact CE1-CD1 4.24Å; Y186-I194 WeakPolarHBondContact OH-CD1 3.28Å; P190-I194 PolarHBondContact O-N 3.14Å; P190-I194 VanDerWaalsContact O-N 3.17Å; A191-I194 PolarHBondContact O-N 3.05Å; A192-I194 VanDerWaalsContact C-N 3.35Å; A192-I194 PolarHBondContact O-N 3.28Å; I194-T198 WeakPolarHBondContact O-CB 3.39Å; I194-T198 PolarHBondContact O-N 3.16Å; I194-T198 PolarHBondContact O-OG1 3.27Å
195A98.8Very high97.6Very high0 Ų039.7 Ų39.70%022%0.22CC..Hα-helixtrans-59.7-52.8179.500000112Y159 A191 A192 V199 Y226Y159-A195 HydrophobicContact CD1-CB 4.4Å; Y159-A195 HydrophobicContact CD2-CB 4.28Å; Y159-A195 HydrophobicContact CE1-CB 3.77Å; Y159-A195 HydrophobicContact CE2-CB 3.64Å; A191-A195 WeakPolarHBondContact O-CB 3.4Å; A191-A195 PolarHBondContact O-N 3.21Å; A192-A195 PolarHBondContact O-N 2.73Å; A195-V199 WeakPolarHBondContact O-CB 3.49Å; A195-V199 VanDerWaalsContact O-CG2 3.29Å; A195-V199 WeakPolarHBondContact O-CG2 3.41Å; A195-V199 PolarHBondContact O-N 2.78Å; A195-Y226 HydrophobicContact CB-CE1 4.45Å; A195-Y226 WeakPolarHBondContact CB-OH 3.4Å
196L98.6Very high97.6Very high0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-68.2-41.5-176.5-63.5175.6000111.7A192 K200 F215 Y226 K229 M230 I233 F234A192-L196 VanDerWaalsContact O-CB 3.26Å; A192-L196 WeakPolarHBondContact O-CB 3.38Å; A192-L196 WeakPolarHBondContact O-CG 3.37Å; A192-L196 PolarHBondContact O-N 3.3Å; L196-K200 VanDerWaalsContact O-CB 3.31Å; L196-K200 WeakPolarHBondContact O-CB 3.29Å; L196-K200 PolarHBondContact O-N 3.01Å; L196-F215 HydrophobicContact CD2-CD1 4.13Å; L196-F215 HydrophobicContact CD2-CD2 3.87Å; L196-F215 HydrophobicContact CD2-CE1 3.8Å; L196-F215 HydrophobicContact CD2-CE2 3.53Å; L196-F215 HydrophobicContact CD2-CG 4.16Å; L196-F215 HydrophobicContact CD2-CZ 3.48Å; L196-F215 VanDerWaalsContact CD2-CZ 3.48Å; L196-Y226 HydrophobicContact CD1-CD1 4.38Å; L196-Y226 HydrophobicContact CD2-CD1 3.76Å; L196-Y226 HydrophobicContact CD2-CE1 3.93Å; L196-Y226 HydrophobicContact CG-CD1 4.23Å; L196-Y226 HydrophobicContact CG-CE1 4.22Å; L196-K229 HydrophobicContact CD1-CB 3.37Å; L196-K229 HydrophobicContact CD1-CD 4.04Å; L196-K229 HydrophobicContact CD1-CG 4.37Å; L196-M230 HydrophobicContact CD1-CG 3.96Å; L196-M230 HydrophobicContact CD2-CG 3.59Å; L196-M230 HydrophobicContact CD2-SD 4.05Å; L196-M230 HydrophobicContact CG-CG 4.44Å; L196-I233 HydrophobicContact CB-CD1 3.61Å; L196-I233 HydrophobicContact CB-CG2 4.5Å; L196-I233 HydrophobicContact CD1-CD1 3.96Å; L196-I233 HydrophobicContact CG-CD1 4.45Å; L196-F234 HydrophobicContact CB-CE2 4.18Å; L196-F234 HydrophobicContact CD2-CE2 4.01Å
197G98.3Very high97.4Very high35 Ų3541 Ų4136%0.36122%0.222SC..Hα-helixtrans-67.5-42.2177.700000113.4D193 K201D193-G197 PolarHBondContact O-N 2.84Å; G197-K201 PolarHBondContact O-N 3.47Å; G197-K201 VanDerWaalsContact O-N 3.11Å
198T98.8Very high97.3Very high23 Ų2342.6 Ų42.614%0.14123%0.227CC..Hα-helixtrans-65.8-45177.6-53.90000111T156 K160 I194 W202T156-T198 HydrophobicContact CG2-CG2 4.26Å; K160-T198 HydrophobicContact CB-CG2 4.31Å; I194-T198 WeakPolarHBondContact O-CB 3.39Å; I194-T198 PolarHBondContact O-N 3.16Å; I194-T198 PolarHBondContact O-OG1 3.27Å; T198-W202 WeakPolarHBondContact O-CB 3.23Å; T198-W202 PolarHBondContact O-N 3.14Å
199V98.6Very high97.3Very high0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-64.8-44.5177.3168.30000111.5V66 Y159 L163 A195 K201 W202 I203 V213 F215V66-V199 HydrophobicContact CG1-CG1 4.35Å; Y159-V199 HydrophobicContact CD1-CG2 4.39Å; L163-V199 HydrophobicContact CD1-CG2 4.13Å; A195-V199 WeakPolarHBondContact O-CB 3.49Å; A195-V199 VanDerWaalsContact O-CG2 3.29Å; A195-V199 WeakPolarHBondContact O-CG2 3.41Å; A195-V199 PolarHBondContact O-N 2.78Å; V199-K201 PolarHBondContact O-N 2.88Å; V199-W202 PolarHBondContact O-N 3.3Å; V199-I203 HydrophobicContact CG1-CD1 3.5Å; V199-I203 VanDerWaalsContact CG1-CD1 3.5Å; V199-I203 HydrophobicContact CG1-CG1 4.18Å; V199-I203 VanDerWaalsContact O-CG1 3.23Å; V199-I203 WeakPolarHBondContact O-CG1 3.45Å; V199-I203 PolarHBondContact O-N 3.45Å; V199-V213 HydrophobicContact CG1-CB 4.01Å; V199-V213 HydrophobicContact CG1-CG1 3.83Å; V199-V213 HydrophobicContact CG1-CG2 4.06Å; V199-V213 HydrophobicContact CG2-CG1 4.22Å; V199-F215 HydrophobicContact CB-CE1 4.22Å; V199-F215 HydrophobicContact CB-CZ 3.76Å; V199-F215 HydrophobicContact CG1-CE1 4.41Å; V199-F215 HydrophobicContact CG1-CE2 4.42Å; V199-F215 HydrophobicContact CG1-CZ 3.64Å; V199-F215 HydrophobicContact CG2-CE1 3.86Å; V199-F215 HydrophobicContact CG2-CZ 3.91Å
200K97.8Very high97.3Very high39 Ų3940.3 Ų40.317%0.1721%0.214CC..Hα-helixtrans-52.4-58.6175.1166.6157.2-168.2172.10111L62 L196 W202 I203 E204 I233 F234 D238L62-K200 HydrophobicContact CD2-CB 4.25Å; L62-K200 HydrophobicContact CD2-CD 3.73Å; L62-K200 HydrophobicContact CD2-CG 3.67Å; L196-K200 VanDerWaalsContact O-CB 3.31Å; L196-K200 WeakPolarHBondContact O-CB 3.29Å; L196-K200 PolarHBondContact O-N 3.01Å; K200-W202 VanDerWaalsContact C-N 3.31Å; K200-W202 PolarHBondContact O-N 3.39Å; K200-I203 PolarHBondContact O-N 3.35Å; K200-I203 VanDerWaalsContact O-N 3.16Å; K200-E204 WeakPolarHBondContact CE-OE1 3.38Å; K200-E204 HydrophobicContact CG-CG 4.49Å; K200-E204 WeakPolarHBondContact CG-OE1 3.43Å; K200-E204 WeakPolarHBondContact O-CG 3.38Å; K200-E204 PolarHBondContact O-N 3.46Å; K200-I233 HydrophobicContact CB-CG2 4.17Å; K200-I233 HydrophobicContact CD-CG2 3.63Å; K200-I233 WeakPolarHBondContact CD-O 3.41Å; K200-I233 PolarHBondContact NZ-O 3.3Å; K200-F234 HydrophobicContact CB-CE1 4.06Å; K200-F234 HydrophobicContact CB-CZ 3.94Å; K200-D238 IonicContact NZ-OD2 2.62Å; K200-D238 PolarHBondContact NZ-OD2 2.77Å
201K97.9Very high97.3Very high120 Ų12040.8 Ų40.852%0.52222%0.216SC..Hα-helixtrans-57.7-43.1-178.4178.4173.8174.4175.90112.2G197 V199 E204 E205G197-K201 PolarHBondContact O-N 3.47Å; G197-K201 VanDerWaalsContact O-N 3.11Å; V199-K201 PolarHBondContact O-N 2.88Å; K201-E204 WeakPolarHBondContact CA-OE2 3.21Å; K201-E204 PolarHBondContact O-N 3.18Å; K201-E205 WeakPolarHBondContact CE-OE1 3.39Å; K201-E205 IonicContact NZ-OE1 2.63Å; K201-E205 WeakPolarHBondContact O-CG 3.33Å; K201-E205 PolarHBondContact O-N 3.37Å
202W98.4Very high97.3Very high5 Ų542 Ų422%0.01922%0.22CC..Hα-helixtrans-67.1-38.8-179.8-168.4100.5000112.2L163 D164 K167 T198 V199 K200 E205 N206 K209 I210L163-W202 HydrophobicContact CB-CD2 3.6Å; L163-W202 VanDerWaalsContact CB-CE2 3.46Å; L163-W202 HydrophobicContact CB-CE3 4.13Å; L163-W202 HydrophobicContact CB-CG 3.9Å; L163-W202 HydrophobicContact CB-CH2 4.39Å; L163-W202 HydrophobicContact CB-CZ2 3.89Å; L163-W202 HydrophobicContact CD1-CB 3.65Å; L163-W202 HydrophobicContact CD1-CD2 3.86Å; L163-W202 HydrophobicContact CD1-CE3 4.21Å; L163-W202 HydrophobicContact CD1-CG 3.58Å; L163-W202 HydrophobicContact CD2-CE3 4.28Å; L163-W202 HydrophobicContact CG-CD2 4.2Å; L163-W202 HydrophobicContact CG-CE3 4.45Å; L163-W202 HydrophobicContact CG-CG 4.34Å; L163-W202 WeakPolarHBondContact O-CZ2 3.4Å; D164-W202 PolarHBondContact OD1-NE1 3.05Å; K167-W202 HydrophobicContact CB-CH2 4Å; K167-W202 HydrophobicContact CB-CZ2 3.74Å; K167-W202 HydrophobicContact CD-CZ2 3.99Å; T198-W202 WeakPolarHBondContact O-CB 3.23Å; T198-W202 PolarHBondContact O-N 3.14Å; V199-W202 PolarHBondContact O-N 3.3Å; K200-W202 VanDerWaalsContact C-N 3.31Å; K200-W202 PolarHBondContact O-N 3.39Å; W202-E205 PolarHBondContact O-N 3.08Å; W202-N206 HydrophobicContact CD2-CB 4.07Å; W202-N206 HydrophobicContact CE3-CB 3.87Å; W202-N206 HydrophobicContact CH2-CB 3.69Å; W202-N206 HydrophobicContact CZ2-CB 3.89Å; W202-N206 HydrophobicContact CZ3-CB 3.67Å; W202-N206 VanDerWaalsContact O-CB 3.28Å; W202-N206 WeakPolarHBondContact O-CB 3.32Å; W202-N206 PolarHBondContact O-N 3.44Å; W202-N206 PolarHBondContact O-ND2 2.92Å; W202-K209 HydrophobicContact CH2-CB 4.22Å; W202-I210 HydrophobicContact CZ3-CB 4.03Å; W202-I210 HydrophobicContact CZ3-CG2 3.94Å
203I96.9Very high97.3Very high1 Ų142 Ų421%0.00522%0.22CC..Hα-helixtrans-66.7-37.1175-63.2166.1000110.9L62 K65 V66 V199 K200 N206 S207 I210 V213L62-I203 HydrophobicContact CD1-CB 3.88Å; L62-I203 HydrophobicContact CD1-CG2 3.54Å; K65-I203 HydrophobicContact CB-CD1 4.47Å; K65-I203 HydrophobicContact CB-CG2 4.12Å; K65-I203 HydrophobicContact CD-CG2 3.63Å; K65-I203 HydrophobicContact CG-CG2 4.5Å; V66-I203 HydrophobicContact CG1-CD1 3.62Å; V199-I203 HydrophobicContact CG1-CD1 3.5Å; V199-I203 VanDerWaalsContact CG1-CD1 3.5Å; V199-I203 HydrophobicContact CG1-CG1 4.18Å; V199-I203 VanDerWaalsContact O-CG1 3.23Å; V199-I203 WeakPolarHBondContact O-CG1 3.45Å; V199-I203 PolarHBondContact O-N 3.45Å; K200-I203 PolarHBondContact O-N 3.35Å; K200-I203 VanDerWaalsContact O-N 3.16Å; I203-N206 CarbonylContact O-C 3.54Å; I203-N206 PolarHBondContact O-N 2.62Å; I203-S207 WeakPolarHBondContact O-CA 3.45Å; I203-S207 VanDerWaalsContact O-CB 3.23Å; I203-S207 WeakPolarHBondContact O-CB 3.45Å; I203-S207 PolarHBondContact O-N 3.07Å; I203-I210 HydrophobicContact CB-CG2 4.49Å; I203-I210 HydrophobicContact CG1-CG2 4.01Å; I203-I210 HydrophobicContact CG2-CG2 4.16Å; I203-V213 HydrophobicContact CD1-CB 4.46Å; I203-V213 HydrophobicContact CD1-CG2 3.93Å; I203-V213 HydrophobicContact CG1-CG2 4.27Å
204E95.1Very high97.3Very high100 Ų10038.5 Ų38.547%0.46720%0.201SC..Hα-helixtrans-61.7-46.1173.8-69.2164.1163.800111.1L62 K200 K201 N206L62-E204 HydrophobicContact CD1-CG 4.21Å; K200-E204 WeakPolarHBondContact CE-OE1 3.38Å; K200-E204 HydrophobicContact CG-CG 4.49Å; K200-E204 WeakPolarHBondContact CG-OE1 3.43Å; K200-E204 WeakPolarHBondContact O-CG 3.38Å; K200-E204 PolarHBondContact O-N 3.46Å; K201-E204 WeakPolarHBondContact CA-OE2 3.21Å; K201-E204 PolarHBondContact O-N 3.18Å; E204-N206 PolarHBondContact O-N 2.95Å
205E96.6Very high97.4Very high121 Ų12137.5 Ų37.557%0.56520%0.196SC*.Hα-helixtrans-73.1-21.7178.6-70.4176.5168.600114.4K201 W202K201-E205 WeakPolarHBondContact CE-OE1 3.39Å; K201-E205 IonicContact NZ-OE1 2.63Å; K201-E205 WeakPolarHBondContact O-CG 3.33Å; K201-E205 PolarHBondContact O-N 3.37Å; W202-E205 PolarHBondContact O-N 3.08Å
206N96.1Very high97.4Very high14 Ų1437.8 Ų37.88%0.07520%0.198CC..THydrogen-bonded Turntrans-134.535.2-170.9-56.4-89.5000112.5K167 W202 I203 E204 D208 K209K167-N206 WeakPolarHBondContact CD-OD1 3.33Å; K167-N206 WeakPolarHBondContact CE-OD1 3.45Å; K167-N206 PolarHBondContact NZ-OD1 2.72Å; W202-N206 HydrophobicContact CD2-CB 4.07Å; W202-N206 HydrophobicContact CE3-CB 3.87Å; W202-N206 HydrophobicContact CH2-CB 3.69Å; W202-N206 HydrophobicContact CZ2-CB 3.89Å; W202-N206 HydrophobicContact CZ3-CB 3.67Å; W202-N206 VanDerWaalsContact O-CB 3.28Å; W202-N206 WeakPolarHBondContact O-CB 3.32Å; W202-N206 PolarHBondContact O-N 3.44Å; W202-N206 PolarHBondContact O-ND2 2.92Å; I203-N206 CarbonylContact O-C 3.54Å; I203-N206 PolarHBondContact O-N 2.62Å; E204-N206 PolarHBondContact O-N 2.95Å; N206-D208 PolarHBondContact O-N 3.16Å; N206-K209 HydrophobicContact CB-CB 4.36Å; N206-K209 HydrophobicContact CB-CG 4.17Å; N206-K209 WeakPolarHBondContact O-CB 3.29Å; N206-K209 PolarHBondContact O-N 3.46Å
207S92.8Very high97.4Very high56 Ų5637.9 Ų37.939%0.39220%0.199SC..THydrogen-bonded Turntrans-57.1-26.7-168144.80000114.7K65 I203K65-S207 PolarHBondContact NZ-O 3.37Å; K65-S207 PolarHBondContact NZ-OG 2.93Å; I203-S207 WeakPolarHBondContact O-CA 3.45Å; I203-S207 VanDerWaalsContact O-CB 3.23Å; I203-S207 WeakPolarHBondContact O-CB 3.45Å; I203-S207 PolarHBondContact O-N 3.07Å
208D94.3Very high97.3Very high97 Ų9743.5 Ų43.552%0.51921%0.214SC..THydrogen-bonded Turntrans-86.9-7.5178.179.9-52.8000114.2R172 N206R172-D208 PolarHBondContact NH2-O 2.66Å; N206-D208 PolarHBondContact O-N 3.16Å
209K96.7Very high97.2Very high70 Ų7046.7 Ų46.730%0.30423%0.229SC..THydrogen-bonded Turntrans-93-22.8-175.9-54-50.8177.3-159.40113.8K167 W202 N206K167-K209 HydrophobicContact CD-CG 4.25Å; K167-K209 HydrophobicContact CG-CG 4.14Å; W202-K209 HydrophobicContact CH2-CB 4.22Å; N206-K209 HydrophobicContact CB-CB 4.36Å; N206-K209 HydrophobicContact CB-CG 4.17Å; N206-K209 WeakPolarHBondContact O-CB 3.29Å; N206-K209 PolarHBondContact O-N 3.46Å
210I97.1Very high97.2Very high4 Ų451.9 Ų51.92%0.02125%0.253CS..  trans-126.5132.7-170.9-167.776.3000112.3V166 R172 V174 W202 I203 V213V166-I210 HydrophobicContact CG1-CD1 3.84Å; R172-I210 WeakPolarHBondContact O-CD1 3.46Å; V174-I210 HydrophobicContact CG1-CD1 4.04Å; W202-I210 HydrophobicContact CZ3-CB 4.03Å; W202-I210 HydrophobicContact CZ3-CG2 3.94Å; I203-I210 HydrophobicContact CB-CG2 4.49Å; I203-I210 HydrophobicContact CG1-CG2 4.01Å; I203-I210 HydrophobicContact CG2-CG2 4.16Å; I210-V213 HydrophobicContact CD1-CG2 4.23Å; I210-V213 HydrophobicContact CG1-CG2 3.8Å
211T97.2Very high97.1Very high72 Ų7254.2 Ų54.244%0.44227%0.271SS..SBendtrans-94.5-40.4174.3-610000111.2R172R172-T211 WeakPolarHBondContact O-CA 3.16Å; R172-T211 WeakPolarHBondContact O-CB 3.26Å; R172-T211 PolarHBondContact O-N 2.83Å
212R98.3Very high97.2Very high28 Ų2848.7 Ų48.711%0.10625%0.247CC..EExtended strand (participates in β ladder)trans-151.7132.5176.4-160.973.366.970.65.6113.5L34 I37 D64 K65 S67 R172 T173 V174 I214L34-R212 HydrophobicContact CD1-CB 3.89Å; L34-R212 HydrophobicContact CD1-CG 4.09Å; I37-R212 PolarHBondContact O-NH1 3.31Å; D64-R212 PolarHBondContact O-NE 2.99Å; K65-R212 CarbonylContact O-C 3.16Å; K65-R212 WeakPolarHBondContact O-CA 3.26Å; S67-R212 WeakPolarHBondContact OG-CD 3.24Å; S67-R212 PolarHBondContact OG-NH1 3.41Å; R172-R212 PolarHBondContact O-N 3.41Å; T173-R212 WeakPolarHBondContact CA-O 3.4Å; T173-R212 HydrophobicContact CG2-CB 4.16Å; V174-R212 PolarHBondContact N-O 2.88Å; R212-I214 HydrophobicContact CG-CG1 3.91Å
213V98.8Very high97.1Very high0 Ų050.5 Ų50.50%026%0.255CS..EExtended strand (participates in β ladder)trans-105125.2159.9-174.10000109K65 V66 S67 L163 V174 F176 V199 I203 I210K65-V213 PolarHBondContact O-N 2.77Å; V66-V213 CarbonylContact C-O 3.54Å; V66-V213 VanDerWaalsContact CA-O 3.27Å; V66-V213 WeakPolarHBondContact CA-O 3.42Å; V66-V213 HydrophobicContact CG1-CB 4.49Å; S67-V213 PolarHBondContact N-O 2.83Å; L163-V213 HydrophobicContact CD2-CG2 4.27Å; V174-V213 HydrophobicContact CG1-CB 4.44Å; V174-V213 HydrophobicContact CG1-CG1 4.22Å; V174-V213 HydrophobicContact CG1-CG2 4.05Å; V174-V213 CarbonylContact O-C 3.58Å; V174-V213 WeakPolarHBondContact O-CA 3.44Å; F176-V213 HydrophobicContact CD2-CG1 3.73Å; F176-V213 HydrophobicContact CE2-CG1 3.99Å; V199-V213 HydrophobicContact CG1-CB 4.01Å; V199-V213 HydrophobicContact CG1-CG1 3.83Å; V199-V213 HydrophobicContact CG1-CG2 4.06Å; V199-V213 HydrophobicContact CG2-CG1 4.22Å; I203-V213 HydrophobicContact CD1-CB 4.46Å; I203-V213 HydrophobicContact CD1-CG2 3.93Å; I203-V213 HydrophobicContact CG1-CG2 4.27Å; I210-V213 HydrophobicContact CD1-CG2 4.23Å; I210-V213 HydrophobicContact CG1-CG2 3.8Å
214I98.9Very high97.2Very high0 Ų053.1 Ų53.10%028%0.277CS..EExtended strand (participates in β ladder)trans-107120.1-179.8-50.5-180000108.8L34 I37 V78 V174 A175 F176 R212 C216L34-I214 HydrophobicContact CD1-CD1 4.24Å; I37-I214 HydrophobicContact CD1-CD1 3.82Å; I37-I214 HydrophobicContact CG2-CD1 4.41Å; V78-I214 HydrophobicContact CG1-CD1 3.8Å; V174-I214 PolarHBondContact O-N 2.82Å; A175-I214 CarbonylContact C-O 3.47Å; A175-I214 WeakPolarHBondContact CA-O 3.26Å; A175-I214 HydrophobicContact CB-CB 3.98Å; F176-I214 PolarHBondContact N-O 3.38Å; R212-I214 HydrophobicContact CG-CG1 3.91Å; I214-C216 PolarHBondContact O-N 2.93Å
215F98.9Very high97.4Very high2 Ų249.5 Ų49.51%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-81.9100.7166.5-58.9-73.1000108V66 S67 L68 Y69 L196 V199 V217 Y226 M230 F234V66-F215 HydrophobicContact CB-CE2 4.19Å; V66-F215 HydrophobicContact CG1-CE2 4.15Å; S67-F215 PolarHBondContact O-N 3.48Å; L68-F215 HydrophobicContact CD1-CB 4.07Å; Y69-F215 PolarHBondContact N-O 3.17Å; Y69-F215 VanDerWaalsContact O-O 3.05Å; L196-F215 HydrophobicContact CD2-CD1 4.13Å; L196-F215 HydrophobicContact CD2-CD2 3.87Å; L196-F215 HydrophobicContact CD2-CE1 3.8Å; L196-F215 HydrophobicContact CD2-CE2 3.53Å; L196-F215 HydrophobicContact CD2-CG 4.16Å; L196-F215 HydrophobicContact CD2-CZ 3.48Å; L196-F215 VanDerWaalsContact CD2-CZ 3.48Å; V199-F215 HydrophobicContact CB-CE1 4.22Å; V199-F215 HydrophobicContact CB-CZ 3.76Å; V199-F215 HydrophobicContact CG1-CE1 4.41Å; V199-F215 HydrophobicContact CG1-CE2 4.42Å; V199-F215 HydrophobicContact CG1-CZ 3.64Å; V199-F215 HydrophobicContact CG2-CE1 3.86Å; V199-F215 HydrophobicContact CG2-CZ 3.91Å; F215-V217 PolarHBondContact O-N 3.42Å; F215-Y226 HydrophobicContact CB-CD1 3.82Å; F215-Y226 HydrophobicContact CB-CE1 3.94Å; F215-Y226 HydrophobicContact CD1-CD1 4.2Å; F215-Y226 AromaticContact CD1-CE1 3.66Å; F215-Y226 HydrophobicContact CD1-CE1 3.66Å; F215-Y226 HydrophobicContact CE1-CE1 4.4Å; F215-Y226 AromaticContact CG-CD1 3.97Å; F215-Y226 HydrophobicContact CG-CD1 3.97Å; F215-Y226 AromaticContact CG-CE1 3.9Å; F215-Y226 HydrophobicContact CG-CE1 3.9Å; F215-M230 HydrophobicContact CD2-CE 3.79Å; F215-M230 HydrophobicContact CD2-SD 3.8Å; F215-M230 HydrophobicContact CE2-CE 4.02Å; F215-M230 HydrophobicContact CE2-SD 4.32Å; F215-F234 HydrophobicContact CE2-CZ 4.48Å
216C98.8Very high97.5Very high7 Ų743.9 Ų43.95%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-92.188.8-179.1-175.40000109.6Y69 I73 L76 F176 I214Y69-C216 CarbonylContact O-C 3.49Å; Y69-C216 WeakPolarHBondContact O-CA 2.99Å; I73-C216 HydrophobicContact CB-CB 4.37Å; I73-C216 VanDerWaalsContact CB-SG 3.59Å; I73-C216 HydrophobicContact CD1-CB 4.07Å; I73-C216 HydrophobicContact CG1-CB 3.99Å; L76-C216 HydrophobicContact CD1-CB 4.19Å; F176-C216 PolarHBondContact O-N 2.92Å; I214-C216 PolarHBondContact O-N 2.93Å
217V98.5Very high97.5Very high1 Ų146.2 Ų46.21%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-87.8150.2179.1-57.70000110.8L68 Y69 K70 G71 F215 D222 F223 Y226L68-V217 HydrophobicContact CD1-CG1 3.9Å; L68-V217 HydrophobicContact CD1-CG2 4Å; Y69-V217 WeakPolarHBondContact O-CG2 3.47Å; Y69-V217 PolarHBondContact O-N 2.71Å; K70-V217 VanDerWaalsContact CA-O 3.28Å; K70-V217 WeakPolarHBondContact CA-O 3.34Å; K70-V217 HydrophobicContact CB-CG2 4.03Å; K70-V217 HydrophobicContact CG-CG2 4.17Å; G71-V217 PolarHBondContact N-O 3.42Å; G71-V217 VanDerWaalsContact N-O 3.09Å; F215-V217 PolarHBondContact O-N 3.42Å; V217-D222 HydrophobicContact CB-CB 4.02Å; V217-D222 HydrophobicContact CG1-CB 4.14Å; V217-F223 HydrophobicContact CG2-CB 3.76Å; V217-F223 HydrophobicContact CG2-CD2 3.82Å; V217-F223 HydrophobicContact CG2-CG 4.29Å; V217-Y226 HydrophobicContact CG1-CD1 4.26Å; V217-Y226 HydrophobicContact CG1-CD2 3.93Å; V217-Y226 HydrophobicContact CG1-CE2 4.24Å; V217-Y226 HydrophobicContact CG1-CG 3.94Å
218F96.9Very high97.7Very high154 Ų15449.1 Ų49.168%0.67525%0.249SC*.  trans-107.6-49.1178.7-170-104.3000112.3K70K70-F218 VanDerWaalsContact CE-O 3.24Å; K70-F218 WeakPolarHBondContact CE-O 3.22Å
219L97.3Very high97.8Very high90 Ų9045.3 Ų45.347%0.47123%0.228SC..SBendtrans-80.2150.2-177.9-54.5177.5000111.8T221 D222 F223L219-T221 VanDerWaalsContact C-N 3.25Å; L219-T221 PolarHBondContact O-N 2.8Å; L219-D222 WeakPolarHBondContact CB-OD2 3.32Å; L219-D222 PolarHBondContact O-N 3.04Å; L219-F223 PolarHBondContact O-N 3.38Å
220E97.4Very high97.8Very high108 Ų10842 Ų4251%0.50521%0.214SC..Hα-helixtrans-62-35172.8-17060-143.300111.9K70 F223 A224K70-E220 IonicContact NZ-OE2 2.73Å; K70-E220 PolarHBondContact NZ-OE2 2.82Å; E220-F223 PolarHBondContact O-N 3.16Å; E220-A224 WeakPolarHBondContact O-CB 3.47Å; E220-A224 PolarHBondContact O-N 3.06Å
221T97.4Very high97.6Very high89 Ų8943.4 Ų43.455%0.54623%0.226SC..Hα-helixtrans-59.2-48176.1-46.60000111.6L219 A224 I225L219-T221 VanDerWaalsContact C-N 3.25Å; L219-T221 PolarHBondContact O-N 2.8Å; T221-A224 PolarHBondContact O-N 3.05Å; T221-I225 HydrophobicContact CG2-CD1 4.08Å; T221-I225 WeakPolarHBondContact O-CB 3.36Å; T221-I225 WeakPolarHBondContact O-CD1 3.38Å; T221-I225 VanDerWaalsContact O-CG1 3.25Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.18Å
222D98.1Very high97.3Very high4 Ų445.5 Ų45.52%0.02123%0.233CC..Hα-helixtrans-65.7-42.6176.4-65.5-61.8000110.9N188 V217 L219 A224 I225 Y226N188-D222 WeakPolarHBondContact CB-OD1 3.46Å; N188-D222 PolarHBondContact ND2-OD1 2.58Å; N188-D222 PolarHBondContact ND2-OD2 3.07Å; V217-D222 HydrophobicContact CB-CB 4.02Å; V217-D222 HydrophobicContact CG1-CB 4.14Å; L219-D222 WeakPolarHBondContact CB-OD2 3.32Å; L219-D222 PolarHBondContact O-N 3.04Å; D222-A224 PolarHBondContact O-N 2.8Å; D222-I225 PolarHBondContact O-N 3.4Å; D222-Y226 WeakPolarHBondContact O-CB 3.19Å; D222-Y226 VanDerWaalsContact O-CD2 3.26Å; D222-Y226 WeakPolarHBondContact O-CD2 3.37Å; D222-Y226 PolarHBondContact O-N 3.35Å
223F98.3Very high97Very high43 Ų4345.6 Ų45.619%0.18924%0.236CC..Hα-helixtrans-57.9-45.4175.9-175.6-107.9000112.8L68 K70 V217 L219 E220 K227L68-F223 HydrophobicContact CD1-CD2 4.34Å; L68-F223 HydrophobicContact CD2-CD2 3.81Å; L68-F223 HydrophobicContact CD2-CE2 3.74Å; L68-F223 HydrophobicContact CG-CD2 3.9Å; L68-F223 HydrophobicContact CG-CE2 3.84Å; K70-F223 HydrophobicContact CB-CD2 3.85Å; K70-F223 HydrophobicContact CB-CE2 4.22Å; K70-F223 HydrophobicContact CB-CG 4.39Å; K70-F223 HydrophobicContact CD-CB 4.17Å; K70-F223 HydrophobicContact CD-CD2 4.49Å; K70-F223 HydrophobicContact CD-CG 4.2Å; V217-F223 HydrophobicContact CG2-CB 3.76Å; V217-F223 HydrophobicContact CG2-CD2 3.82Å; V217-F223 HydrophobicContact CG2-CG 4.29Å; L219-F223 PolarHBondContact O-N 3.38Å; E220-F223 PolarHBondContact O-N 3.16Å; F223-K227 HydrophobicContact CE1-CD 3.9Å; F223-K227 HydrophobicContact CZ-CD 3.86Å; F223-K227 WeakPolarHBondContact O-CB 3.13Å; F223-K227 PolarHBondContact O-N 3.26Å
224A98.3Very high96.6Very high56 Ų5645.7 Ų45.746%0.46324%0.236SC..Hα-helixtrans-63.5-41.6176.200000112.5E220 T221 D222 K228E220-A224 WeakPolarHBondContact O-CB 3.47Å; E220-A224 PolarHBondContact O-N 3.06Å; T221-A224 PolarHBondContact O-N 3.05Å; D222-A224 PolarHBondContact O-N 2.8Å; A224-K228 VanDerWaalsContact O-CB 3.26Å; A224-K228 WeakPolarHBondContact O-CB 3.3Å; A224-K228 PolarHBondContact O-N 3.01Å
225I98.4Very high95.8Very high23 Ų2350 Ų5012%0.11826%0.256CS..Hα-helixtrans-63.8-51.8177.1-73.4167.9000111.1N188 E189 A192 T221 D222 K228 K229N188-I225 HydrophobicContact CB-CD1 3.67Å; E189-I225 HydrophobicContact CB-CD1 4.21Å; E189-I225 HydrophobicContact CB-CG2 4.36Å; E189-I225 HydrophobicContact CG-CG2 4.22Å; A192-I225 HydrophobicContact CB-CG2 3.54Å; T221-I225 HydrophobicContact CG2-CD1 4.08Å; T221-I225 WeakPolarHBondContact O-CB 3.36Å; T221-I225 WeakPolarHBondContact O-CD1 3.38Å; T221-I225 VanDerWaalsContact O-CG1 3.25Å; T221-I225 WeakPolarHBondContact O-CG1 3.43Å; T221-I225 PolarHBondContact O-N 3.18Å; D222-I225 PolarHBondContact O-N 3.4Å; I225-K228 PolarHBondContact O-N 3Å; I225-K229 HydrophobicContact CG2-CD 4.17Å; I225-K229 WeakPolarHBondContact O-CG 3.31Å; I225-K229 PolarHBondContact O-N 3.46Å
226Y98.4Very high94.1Very high4 Ų452.8 Ų52.82%0.01627%0.271CS..Hα-helixtrans-64.4-45.3-179.5-84.8-110.7000110.8L68 A192 A195 L196 F215 V217 D222 K228 K229 M230L68-Y226 HydrophobicContact CD1-CD1 4.34Å; L68-Y226 HydrophobicContact CD1-CG 4.29Å; A192-Y226 HydrophobicContact CB-CD2 3.79Å; A192-Y226 HydrophobicContact CB-CE2 3.45Å; A192-Y226 VanDerWaalsContact CB-CE2 3.45Å; A192-Y226 HydrophobicContact CB-CG 4.49Å; A195-Y226 HydrophobicContact CB-CE1 4.45Å; A195-Y226 WeakPolarHBondContact CB-OH 3.4Å; L196-Y226 HydrophobicContact CD1-CD1 4.38Å; L196-Y226 HydrophobicContact CD2-CD1 3.76Å; L196-Y226 HydrophobicContact CD2-CE1 3.93Å; L196-Y226 HydrophobicContact CG-CD1 4.23Å; L196-Y226 HydrophobicContact CG-CE1 4.22Å; F215-Y226 HydrophobicContact CB-CD1 3.82Å; F215-Y226 HydrophobicContact CB-CE1 3.94Å; F215-Y226 HydrophobicContact CD1-CD1 4.2Å; F215-Y226 AromaticContact CD1-CE1 3.66Å; F215-Y226 HydrophobicContact CD1-CE1 3.66Å; F215-Y226 HydrophobicContact CE1-CE1 4.4Å; F215-Y226 AromaticContact CG-CD1 3.97Å; F215-Y226 HydrophobicContact CG-CD1 3.97Å; F215-Y226 AromaticContact CG-CE1 3.9Å; F215-Y226 HydrophobicContact CG-CE1 3.9Å; V217-Y226 HydrophobicContact CG1-CD1 4.26Å; V217-Y226 HydrophobicContact CG1-CD2 3.93Å; V217-Y226 HydrophobicContact CG1-CE2 4.24Å; V217-Y226 HydrophobicContact CG1-CG 3.94Å; D222-Y226 WeakPolarHBondContact O-CB 3.19Å; D222-Y226 VanDerWaalsContact O-CD2 3.26Å; D222-Y226 WeakPolarHBondContact O-CD2 3.37Å; D222-Y226 PolarHBondContact O-N 3.35Å; Y226-K228 VanDerWaalsContact C-N 3.32Å; Y226-K228 PolarHBondContact O-N 3Å; Y226-K229 PolarHBondContact O-N 3.39Å; Y226-M230 WeakPolarHBondContact O-CB 3.3Å; Y226-M230 VanDerWaalsContact O-CG 3.3Å; Y226-M230 WeakPolarHBondContact O-CG 3.37Å; Y226-M230 PolarHBondContact O-N 2.73Å
227K96.8Very high92.2Very high62 Ų6258.8 Ų58.827%0.2730%0.303SS..Hα-helixtrans-61.5-36.9178.6-170.2158.4178.9157.90112.6W40 E43 L68 F223W40-K227 HydrophobicContact CH2-CG 3.99Å; W40-K227 WeakPolarHBondContact CH2-O 3.26Å; W40-K227 HydrophobicContact CZ3-CG 4.28Å; E43-K227 WeakPolarHBondContact OE1-CE 3.48Å; E43-K227 IonicContact OE1-NZ 3.78Å; E43-K227 PolarHBondContact OE1-NZ 3.23Å; L68-K227 HydrophobicContact CD2-CB 3.69Å; L68-K227 HydrophobicContact CD2-CG 4.39Å; F223-K227 HydrophobicContact CE1-CD 3.9Å; F223-K227 HydrophobicContact CZ-CD 3.86Å; F223-K227 WeakPolarHBondContact O-CB 3.13Å; F223-K227 PolarHBondContact O-N 3.26Å
228K96.7Very high90.1Very high118 Ų11862.2 Ų62.251%0.51332%0.321SS..Hα-helixtrans-64.6-50.2172173-167.4169.8-162.20111.7E189 A224 I225 Y226E189-K228 IonicContact OE1-NZ 3.81Å; E189-K228 PolarHBondContact OE1-NZ 2.81Å; E189-K228 IonicContact OE2-NZ 2.67Å; A224-K228 VanDerWaalsContact O-CB 3.26Å; A224-K228 WeakPolarHBondContact O-CB 3.3Å; A224-K228 PolarHBondContact O-N 3.01Å; I225-K228 PolarHBondContact O-N 3Å; Y226-K228 VanDerWaalsContact C-N 3.32Å; Y226-K228 PolarHBondContact O-N 3Å
229K96.9Very high87.8Confident16 Ų1659.3 Ų59.37%0.0731%0.312CS..Hα-helixtrans-73.9-37.9-174.8-71.1178.9-173.5-69.40113.5E189 A192 D193 L196 I225 Y226 A231 I232 I233E189-K229 VanDerWaalsContact CG-NZ 3.28Å; E189-K229 WeakPolarHBondContact O-CE 3.29Å; E189-K229 IonicContact OE1-NZ 3.56Å; E189-K229 PolarHBondContact OE1-NZ 3.5Å; A192-K229 HydrophobicContact CB-CD 3.82Å; D193-K229 WeakPolarHBondContact OD1-CD 3.36Å; D193-K229 WeakPolarHBondContact OD1-CE 3.08Å; D193-K229 IonicContact OD1-NZ 3.49Å; D193-K229 PolarHBondContact OD1-NZ 3.42Å; D193-K229 IonicContact OD2-NZ 3.51Å; D193-K229 PolarHBondContact OD2-NZ 2.72Å; L196-K229 HydrophobicContact CD1-CB 3.37Å; L196-K229 HydrophobicContact CD1-CD 4.04Å; L196-K229 HydrophobicContact CD1-CG 4.37Å; I225-K229 HydrophobicContact CG2-CD 4.17Å; I225-K229 WeakPolarHBondContact O-CG 3.31Å; I225-K229 PolarHBondContact O-N 3.46Å; Y226-K229 PolarHBondContact O-N 3.39Å; K229-A231 PolarHBondContact O-N 3.49Å; K229-I232 WeakPolarHBondContact O-CA 3.35Å; K229-I232 WeakPolarHBondContact O-CB 3.28Å; K229-I232 PolarHBondContact O-N 3.3Å; K229-I233 HydrophobicContact CB-CD1 4.28Å; K229-I233 WeakPolarHBondContact O-CG1 3.21Å; K229-I233 PolarHBondContact O-N 2.78Å
230M95.9Very high85.4Confident0 Ų064.1 Ų64.10%033%0.332CS..Hα-helixtrans-63.5-28.6178.9-70.5179.171.500112.2W40 V66 L68 L196 F215 Y226 I232 F234W40-M230 HydrophobicContact CB-CE 4.1Å; W40-M230 HydrophobicContact CD2-CB 3.89Å; W40-M230 HydrophobicContact CD2-CE 3.89Å; W40-M230 VanDerWaalsContact CE2-CB 3.45Å; W40-M230 HydrophobicContact CE3-CB 4.27Å; W40-M230 HydrophobicContact CE3-CE 4.05Å; W40-M230 HydrophobicContact CE3-SD 4.44Å; W40-M230 HydrophobicContact CG-CE 3.9Å; W40-M230 HydrophobicContact CH2-CB 3.99Å; W40-M230 VanDerWaalsContact CZ2-C 3.47Å; W40-M230 HydrophobicContact CZ2-CB 3.55Å; W40-M230 HydrophobicContact CZ3-CB 4.31Å; W40-M230 PolarHBondContact NE1-O 3.36Å; V66-M230 HydrophobicContact CB-CE 4.12Å; V66-M230 HydrophobicContact CG2-CE 3.77Å; L68-M230 HydrophobicContact CB-CE 4.38Å; L68-M230 HydrophobicContact CB-SD 3.88Å; L68-M230 HydrophobicContact CD1-SD 4.38Å; L68-M230 HydrophobicContact CD2-SD 4.37Å; L68-M230 HydrophobicContact CG-SD 4.43Å; L196-M230 HydrophobicContact CD1-CG 3.96Å; L196-M230 HydrophobicContact CD2-CG 3.59Å; L196-M230 HydrophobicContact CD2-SD 4.05Å; L196-M230 HydrophobicContact CG-CG 4.44Å; F215-M230 HydrophobicContact CD2-CE 3.79Å; F215-M230 HydrophobicContact CD2-SD 3.8Å; F215-M230 HydrophobicContact CE2-CE 4.02Å; F215-M230 HydrophobicContact CE2-SD 4.32Å; Y226-M230 WeakPolarHBondContact O-CB 3.3Å; Y226-M230 VanDerWaalsContact O-CG 3.3Å; Y226-M230 WeakPolarHBondContact O-CG 3.37Å; Y226-M230 PolarHBondContact O-N 2.73Å; M230-I232 PolarHBondContact O-N 3.32Å; M230-F234 HydrophobicContact CB-CD2 4.16Å; M230-F234 HydrophobicContact CE-CD2 4.41Å; M230-F234 HydrophobicContact CG-CD2 4.02Å; M230-F234 HydrophobicContact CG-CE2 4.32Å; M230-F234 PolarHBondContact O-N 3.45Å
231A93.1Very high82.6Confident35 Ų3565.1 Ų65.129%0.28935%0.345SS..Hα-helixtrans-68.1-12.8173.100000113.9W40 K229 Q235W40-A231 HydrophobicContact CZ2-CB 3.99Å; W40-A231 VanDerWaalsContact CZ2-N 3.28Å; K229-A231 PolarHBondContact O-N 3.49Å; A231-Q235 WeakPolarHBondContact O-CG 3.49Å; A231-Q235 PolarHBondContact O-NE2 3.17Å
232I92.1Very high79.5Confident115 Ų11567 Ų6759%0.5936%0.356SS*.Hα-helixtrans-104.9-42.3177.8-55.2171.7000110.1K229 M230K229-I232 WeakPolarHBondContact O-CA 3.35Å; K229-I232 WeakPolarHBondContact O-CB 3.28Å; K229-I232 PolarHBondContact O-N 3.3Å; M230-I232 PolarHBondContact O-N 3.32Å
233I92.3Very high76.7Confident31 Ų3176.5 Ų76.516%0.15940%0.401CS..Hα-helixtrans-84-32.1-171.8-63.9172.4000112.7L196 K200 K229L196-I233 HydrophobicContact CB-CD1 3.61Å; L196-I233 HydrophobicContact CB-CG2 4.5Å; L196-I233 HydrophobicContact CD1-CD1 3.96Å; L196-I233 HydrophobicContact CG-CD1 4.45Å; K200-I233 HydrophobicContact CB-CG2 4.17Å; K200-I233 HydrophobicContact CD-CG2 3.63Å; K200-I233 WeakPolarHBondContact CD-O 3.41Å; K200-I233 PolarHBondContact NZ-O 3.3Å; K229-I233 HydrophobicContact CB-CD1 4.28Å; K229-I233 WeakPolarHBondContact O-CG1 3.21Å; K229-I233 PolarHBondContact O-N 2.78Å
234F90Very high73.9Confident2 Ų282.8 Ų82.81%0.00943%0.431CS..SBendtrans-117.465.2-174.7-63.6-87.8000110.3W40 L62 V66 L196 K200 F215 M230W40-F234 PolarHBondContact NE1-O 2.63Å; L62-F234 HydrophobicContact CB-CD1 4.4Å; L62-F234 HydrophobicContact CD2-CD1 3.39Å; L62-F234 HydrophobicContact CD2-CE1 3.58Å; L62-F234 HydrophobicContact CD2-CG 4.42Å; L62-F234 HydrophobicContact CG-CD1 3.62Å; L62-F234 HydrophobicContact CG-CE1 3.84Å; V66-F234 HydrophobicContact CB-CD1 4.45Å; V66-F234 HydrophobicContact CB-CE1 4.36Å; V66-F234 HydrophobicContact CG1-CD1 4.06Å; V66-F234 HydrophobicContact CG1-CE1 3.57Å; V66-F234 HydrophobicContact CG1-CZ 4.03Å; V66-F234 HydrophobicContact CG2-CB 4.32Å; V66-F234 HydrophobicContact CG2-CD1 3.56Å; V66-F234 HydrophobicContact CG2-CD2 4.4Å; V66-F234 HydrophobicContact CG2-CE1 3.94Å; V66-F234 HydrophobicContact CG2-CG 3.84Å; L196-F234 HydrophobicContact CB-CE2 4.18Å; L196-F234 HydrophobicContact CD2-CE2 4.01Å; K200-F234 HydrophobicContact CB-CE1 4.06Å; K200-F234 HydrophobicContact CB-CZ 3.94Å; F215-F234 HydrophobicContact CE2-CZ 4.48Å; M230-F234 HydrophobicContact CB-CD2 4.16Å; M230-F234 HydrophobicContact CE-CD2 4.41Å; M230-F234 HydrophobicContact CG-CD2 4.02Å; M230-F234 HydrophobicContact CG-CE2 4.32Å; M230-F234 PolarHBondContact O-N 3.45Å
235Q81.1Confident71.1Confident89 Ų8989.2 Ų89.242%0.41645%0.451SS..  trans-90.6148.9176.5-65.1-171.6-4.600110.9A231 N237 D238A231-Q235 WeakPolarHBondContact O-CG 3.49Å; A231-Q235 PolarHBondContact O-NE2 3.17Å; Q235-N237 PolarHBondContact O-N 2.89Å; Q235-D238 PolarHBondContact O-N 2.97Å
236D64.3Low68.4Low61 Ų6196.2 Ų96.233%0.32649%0.488SS..THydrogen-bonded Turntrans-67.2-3.8-171.8-84.610.3000114.8R41R41-D236 IonicContact CZ-OD1 2.67Å; R41-D236 IonicContact CZ-OD2 3.77Å; R41-D236 IonicContact NE-OD2 3.19Å; R41-D236 IonicContact NH1-OD1 2.62Å; R41-D236 PolarHBondContact NH1-OD1 3.18Å; R41-D236 IonicContact NH1-OD2 2.68Å; R41-D236 PolarHBondContact NH1-OD2 3.35Å
237N57.3Low65.4Low134 Ų134106.2 Ų106.272%0.71753%0.532SS*.THydrogen-bonded Turntrans-86.7-12.4-178-60.6-32.6000114.3Q235 I239Q235-N237 PolarHBondContact O-N 2.89Å; N237-I239 VanDerWaalsContact C-N 3.28Å; N237-I239 PolarHBondContact O-N 2.98Å; N237-I239 VanDerWaalsContact O-N 3.1Å
238D54.5Low62.2Low72 Ų72107.1 Ų107.139%0.38556%0.559SS.*  trans-80.411.4-160.5-73.6-17.4000116.1K200 Q235K200-D238 IonicContact NZ-OD2 2.62Å; K200-D238 PolarHBondContact NZ-OD2 2.77Å; Q235-D238 PolarHBondContact O-N 2.97Å
239I49.4Very low59Low93 Ų93109.2 Ų109.248%0.47758%0.575SS.*  trans-136.978.5173.4-45.9-174000112.3N237N237-I239 VanDerWaalsContact C-N 3.28Å; N237-I239 PolarHBondContact O-N 2.98Å; N237-I239 VanDerWaalsContact O-N 3.1Å
240E46.3Very low56Low191 Ų191112.6 Ų112.689%0.89360%0.601SS**  trans-117.386.1145.6-82.3-161.8167.400109.3
241V38.2Very low52.9Low130 Ų130119.2 Ų119.279%0.78864%0.642SS**  trans-130.885.7166.5-174.20000108.4
242T33.2Very low50.6Low127 Ų127122.8 Ų122.878%0.77966%0.662SS**  trans-78135.2169.544.60000110.2E244T242-E244 PolarHBondContact O-N 2.93Å
243E39.9Very low47.8Very low204 Ų204123.4 Ų123.495%0.95367%0.674SS**SBendtrans-73.262.4-178.4-64.2-172.111400113.4
244E39.3Very low44.8Very low175 Ų175127 Ų12782%0.81870%0.701SS**  trans-137.444.7-177.1-149.8167.2-130.100114.7T242T242-E244 PolarHBondContact O-N 2.93Å
245Q39.5Very low41.8Very low192 Ų192132.9 Ų132.990%0.89774%0.738SS**  trans-142.235.4173.4-132.7162.276.100116.5
246L40.9Very low39.4Very low170 Ų170137.4 Ų137.489%0.8976%0.756SS**  trans-13473.6166.6-75.8177.3000112.4
247K36.2Very low37.7Very low213 Ų213139 Ų13993%0.92677%0.772SS**  trans-169.1106.1164-104.9146.8-170.8168.80113.6
248G29.1Very low36.3Very low81 Ų81138.2 Ų138.284%0.83577%0.772SS**  trans70.5164.4162.700000116.7
249D30Very low35Very low162 Ų162140.7 Ų140.787%0.86679%0.79SS**  cis-151.7-176.2-17-163.56.3000109.6
250S32.6Very low34.1Very low87 Ų87144.1 Ų144.161%0.60880%0.802SS**  trans-100.2158.7-153.6-49.20000115.1
251T31.6Very low33.4Very low140 Ų140141.4 Ų141.486%0.85979%0.789SS**  trans73.2157.8156.739.50000118.8
252P44.8Very low33.1Very low110 Ų110143 Ų14371%0.71479%0.788SS**  trans-129.9179.1-139.745.2-32.4000116
253P33Very low33.1Very low128 Ų128140.7 Ų140.783%0.83178%0.781SS**  trans-93.5159.3157.236.4-31.2000112.6
254S28.6Very low32.9Very low105 Ų105139.8 Ų139.873%0.73478%0.777SS**  trans-144162.2178.3-176.80000112
255T28.8Very low32.5Very low127 Ų127138.7 Ų138.778%0.77978%0.777SS**  trans74.9150.7176.582.30000115.3
256K29.9Very low32Very low183 Ų183132.2 Ų132.280%0.79676%0.762SS**  cis-160.6156.712.6-148.3175.7-177.8176.70113.7
257S29.4Very low31.8Very low95 Ų95131 Ų13166%0.66475%0.751SS**  trans76.1149.2156.7-460000117.2
258T26.1Very low31.5Very low118 Ų118129.1 Ų129.172%0.72474%0.744SS**  cis-157.4152.75.9-12.60000113.4
259T27.6Very low31.6Very low123 Ų123128.3 Ų128.376%0.75574%0.735SS**  trans61.4123.2158.940.80000119.7
260K30.6Very low31.7Very low166 Ų166128.6 Ų128.672%0.72273%0.728SS**  83.9136.273-129.4-158.1165.6-142.60111.1
261E32.2Very low31.6Very low133 Ų133130.9 Ų130.962%0.62173%0.73SS**  cis-146.3162.827-76.6166.514800114.5
262E32.1Very low31.6Very low164 Ų164132.1 Ų132.177%0.76673%0.726SS**  trans55.2132.2151.1-72.8147.9-140.800121.1
263A33.3Very low30.9Very low78 Ų78130.6 Ų130.665%0.64572%0.722SS**  cis79.6139.749.500000112.8
264E35.3Very low30.6Very low186 Ų186132.4 Ų132.487%0.86972%0.72SS**  cis-163165.46.6-109.9156.3-137.600107
265D31.2Very low30.7Very low151 Ų151133.8 Ų133.881%0.80772%0.718SS**  cis-164.8173.7-5.9-176.130.6000110
266G28.5Very low30.9Very low57 Ų57135.8 Ų135.859%0.58872%0.719SS**  trans116.5109165.900000115.1
267E36.5Very low31Very low143 Ų143135.5 Ų135.567%0.66872%0.72SS**  60135.860.9-63.1-145.3132.900114.6
268K31Very low31.1Very low175 Ų175137.7 Ų137.776%0.76172%0.72SS**  cis-158.5162.6-1.4-104.3158.8173.6140.50105.6
269G29.9Very low31.3Very low64 Ų64138.9 Ų138.966%0.6672%0.715SS**  cis151.6150.90.600000111
270K33.2Very low31.3Very low167 Ų167139.1 Ų139.173%0.72671%0.712SS**  trans73.7124.8156.8-65.6-160.2166.1-730118.5
271E29.7Very low31.2Very low135 Ų135138.5 Ų138.563%0.63172%0.717SS**  72.3141.576.8-67.3156.8-147.600112.2
272E31.3Very low31.1Very low166 Ų166141 Ų14178%0.77673%0.728SS**  cis-149.7150.49.4-107.2149.7-162.300107.3
273A30.2Very low31.9Very low78 Ų78138 Ų13865%0.64572%0.724SS**  81139.367.700000116.4
274H28.6Very low31.8Very low167 Ų167143.4 Ų143.477%0.77374%0.735SS**  trans66.6150172.5-68.5-82.9000118
275D29Very low31.6Very low133 Ų133141.7 Ų141.771%0.71173%0.732SS**  cis-155.7-174.6-13.6-125-8.6000114.3
276E33Very low31.5Very low170 Ų170143.8 Ų143.879%0.79474%0.737SS**  trans-62.9158.2-177.2-50.9-178149.100117.5
277E31.7Very low31.5Very low176 Ų176148.5 Ų148.582%0.82275%0.749SS**  167.9123.8114.9-90.1-165.7165.200115.3
278E32.3Very low31.3Very low141 Ų141148.2 Ų148.266%0.65975%0.749SS**  trans53.7121136.6-62.2-127.911900126.9
279K31Very low31.8Very low143 Ų143145.7 Ų145.762%0.62275%0.751SS**  92.8133.7121.2-81.8-170.1171.987.80124.6
280N27.4Very low32Very low128 Ų128147 Ų14768%0.68475%0.749SS**  trans64.2139.9146.9-5810.6000118.8
281D28Very low31.9Very low154 Ų154147 Ų14782%0.82475%0.752SS**  -149.9163.750.2-82-43000114.7
282E30.4Very low32.4Very low184 Ų184146.6 Ų146.686%0.8676%0.761SS**  trans-113.9175.8160.8-78.6-174.7163.800108.5
283P49.2Very low32.3Very low103 Ų103145.1 Ų145.167%0.66975%0.754SS**  cis-133.3-168.75.243.9-27000113.9
284E31.2Very low32.3Very low190 Ų190149.1 Ų149.189%0.88877%0.765SS**  -168.4149120.8-105.6173.8-166.200111
285D30.4Very low32.4Very low151 Ų151148.8 Ų148.881%0.80776%0.764SS**  trans-86.5170.8-171.7-53.2-92.4000114.4
286E30Very low32.4Very low195 Ų195150 Ų15091%0.91177%0.77SS**  trans-168.6163.3134.5-95.2-96.6160.300110.4
287D28.5Very low32.4Very low156 Ų156151.3 Ų151.383%0.83478%0.776SS**  trans-91171.6-140.4-130.5-44.7000118.8
288M31.9Very low32.6Very low136 Ų136149.5 Ų149.567%0.6777%0.772SS**  trans-84.8165.4174.3-151.8-171.36000111.7S290M288-S290 VanDerWaalsContact CE-OG 3.26Å; M288-S290 WeakPolarHBondContact CE-OG 3.06Å
289P42.1Very low32.7Very low123 Ų123146.8 Ų146.880%0.79977%0.769SS**  -148.9176.892.937.3-18.2000115.9
290S33.2Very low32.9Very low90 Ų90145.8 Ų145.863%0.62977%0.771SS**  trans-86.5167.7-166.9-48.20000117.3M288M288-S290 VanDerWaalsContact CE-OG 3.26Å; M288-S290 WeakPolarHBondContact CE-OG 3.06Å
291Q30.6Very low33.3Very low168 Ų168145.7 Ų145.779%0.78576%0.764SS**  trans3.7153.7148.6-69-174.8-35.100121.2
292P40.9Very low33.4Very low127 Ų127145.2 Ų145.283%0.82576%0.758SS**  -116.3178.7107.935.8-36.6000114.3
293Q29.6Very low33.4Very low134 Ų134142.2 Ų142.263%0.62675%0.745SS**  trans-98.2151.4179.2-60.6154.7-109.800111.9E295Q293-E295 PolarHBondContact NE2-OE1 3.39Å; Q293-E295 VanDerWaalsContact NE2-OE1 3.14Å
294D29.6Very low32.8Very low163 Ų163139.7 Ų139.787%0.87273%0.729SS**  trans-149.8131.4147.1-65.1-62.8000104
295E29.7Very low33Very low159 Ų159135.1 Ų135.174%0.74371%0.708SS**  cis69.356.912.9-75.2-173.9-123.500116.7Q293Q293-E295 PolarHBondContact NE2-OE1 3.39Å; Q293-E295 VanDerWaalsContact NE2-OE1 3.14Å
296D29.4Very low33.3Very low160 Ų160134 Ų13486%0.85670%0.697SS**  -167120.2128.8-116.5-26.6000114.1
297E32.9Very low33.8Very low196 Ų196130.3 Ų130.392%0.91668%0.68SS**  trans18068.9143.1-110.6-169.9-167.900110.6
298N35.7Very low34.5Very low139 Ų139128.6 Ų128.674%0.74367%0.667SS**  trans-131.862.3173-173.640.2000112.3
299S34.7Very low34.9Very low84 Ų84126.9 Ų126.959%0.58766%0.661SS**SBendtrans-115.4-44.1172.458.50000112.9K301S299-K301 VanDerWaalsContact C-N 3.29Å; S299-K301 PolarHBondContact O-N 3.17Å
300N36.1Very low34.8Very low122 Ų122125.4 Ų125.465%0.65265%0.647SS**Hα-helixtrans-82.11.9-165.8-66.49.4000114.9
301K34.8Very low35.4Very low125 Ų125127.7 Ų127.754%0.54365%0.647SS.*Hα-helixtrans-79.8-38.8-177.9-163.5176.4-178.8-155.50113.1S299 S304 E305S299-K301 VanDerWaalsContact C-N 3.29Å; S299-K301 PolarHBondContact O-N 3.17Å; K301-S304 PolarHBondContact O-N 3.46Å; K301-S304 PolarHBondContact O-OG 2.94Å; K301-E305 WeakPolarHBondContact CE-OE1 3.42Å; K301-E305 IonicContact NZ-OE1 3.67Å; K301-E305 PolarHBondContact NZ-OE1 3.05Å; K301-E305 PolarHBondContact O-N 3.5Å
302M30.5Very low36.2Very low144 Ų144122.7 Ų122.771%0.70962%0.624SS**Hα-helixtrans-67.9-36.1-179.6-78.1-177.9165.700113.1S304 E305 Q306M302-S304 VanDerWaalsContact C-N 3.31Å; M302-S304 PolarHBondContact O-N 2.68Å; M302-E305 PolarHBondContact O-N 2.95Å; M302-Q306 PolarHBondContact O-N 3.16Å
303E30.2Very low36.4Very low122 Ų122123.1 Ų123.157%0.5762%0.615SS**Hα-helixtrans-62.1-38.4174.6-75.2-167.1121.800112.1Q306 Q307E303-Q306 PolarHBondContact O-N 3.27Å; E303-Q307 WeakPolarHBondContact O-CB 3.18Å; E303-Q307 VanDerWaalsContact O-CG 3.23Å; E303-Q307 WeakPolarHBondContact O-CG 3.37Å; E303-Q307 PolarHBondContact O-N 2.95Å
304S35.9Very low36.7Very low49 Ų49122.9 Ų122.934%0.34361%0.611SS.*Hα-helixtrans-68.8-35.3178.266.10000113.5K301 M302 Q308K301-S304 PolarHBondContact O-N 3.46Å; K301-S304 PolarHBondContact O-OG 2.94Å; M302-S304 VanDerWaalsContact C-N 3.31Å; M302-S304 PolarHBondContact O-N 2.68Å; S304-Q308 VanDerWaalsContact O-CG 3.31Å; S304-Q308 WeakPolarHBondContact O-CG 3.23Å; S304-Q308 PolarHBondContact O-N 2.94Å
305E37.4Very low37.2Very low95 Ų95118.9 Ų118.944%0.44460%0.596SS.*Hα-helixtrans-76.7-30.3177.8-69.5175.8-179.100111.6K301 M302 N309K301-E305 WeakPolarHBondContact CE-OE1 3.42Å; K301-E305 IonicContact NZ-OE1 3.67Å; K301-E305 PolarHBondContact NZ-OE1 3.05Å; K301-E305 PolarHBondContact O-N 3.5Å; M302-E305 PolarHBondContact O-N 2.95Å; E305-N309 PolarHBondContact O-ND2 2.94Å
306Q36.7Very low37.9Very low126 Ų126116 Ų11659%0.58958%0.582SS**Hα-helixtrans-73.6-46170.3-74.3-174.3-9500112.4M302 E303 Q308 N309 D310M302-Q306 PolarHBondContact O-N 3.16Å; E303-Q306 PolarHBondContact O-N 3.27Å; Q306-Q308 PolarHBondContact O-N 3.32Å; Q306-N309 PolarHBondContact O-N 2.97Å; Q306-D310 PolarHBondContact O-N 3.34Å
307Q39.2Very low38.4Very low118 Ų118114.9 Ų114.955%0.55157%0.572SS**Hα-helixtrans-59.1-33.4179.6-74.1170.711.500113E303 E311E303-Q307 WeakPolarHBondContact O-CB 3.18Å; E303-Q307 VanDerWaalsContact O-CG 3.23Å; E303-Q307 WeakPolarHBondContact O-CG 3.37Å; E303-Q307 PolarHBondContact O-N 2.95Å; Q307-E311 WeakPolarHBondContact O-CG 3.45Å; Q307-E311 PolarHBondContact O-N 2.91Å
308Q43.9Very low38.8Very low120 Ų120111.6 Ų111.656%0.56156%0.555SS**Hα-helixtrans-71.4-32174.6-72.3173.210.400113.5S304 Q306 H312S304-Q308 VanDerWaalsContact O-CG 3.31Å; S304-Q308 WeakPolarHBondContact O-CG 3.23Å; S304-Q308 PolarHBondContact O-N 2.94Å; Q306-Q308 PolarHBondContact O-N 3.32Å; Q308-H312 PolarHBondContact O-N 2.89Å
309N40.4Very low39.4Very low100 Ų100109 Ų10954%0.53554%0.538SS..Hα-helixtrans-75.5-38.2172.9-74.9-63.9000111.5E305 Q306 E311 H312 E313E305-N309 PolarHBondContact O-ND2 2.94Å; Q306-N309 PolarHBondContact O-N 2.97Å; N309-E311 VanDerWaalsContact C-N 3.3Å; N309-E311 PolarHBondContact O-N 2.75Å; N309-H312 WeakPolarHBondContact O-CB 3.29Å; N309-H312 PolarHBondContact O-N 3.38Å; N309-E313 PolarHBondContact O-N 3.11Å; N309-E313 VanDerWaalsContact O-N 3.15Å
310D40.3Very low39.9Very low93 Ų93109.7 Ų109.750%0.49753%0.532SS..Hα-helixtrans-63.2-35.7174.4-63.9-15.5000111.4Q306 K314Q306-D310 PolarHBondContact O-N 3.34Å; D310-K314 WeakPolarHBondContact O-CB 3.49Å; D310-K314 PolarHBondContact O-N 3.49Å; D310-K314 VanDerWaalsContact O-N 3.15Å
311E44.8Very low40.1Very low138 Ų138110.1 Ų110.165%0.64553%0.53SS*.Hα-helixtrans-69.6-27.7172-75.7-160.6142.300113.4Q307 N309 C315Q307-E311 WeakPolarHBondContact O-CG 3.45Å; Q307-E311 PolarHBondContact O-N 2.91Å; N309-E311 VanDerWaalsContact C-N 3.3Å; N309-E311 PolarHBondContact O-N 2.75Å; E311-C315 PolarHBondContact O-N 2.99Å; E311-C315 VanDerWaalsContact O-N 3.1Å; E311-C315 PolarHBondContact O-SG 2.88Å
312H48.1Very low40.6Very low62 Ų62111.3 Ų111.329%0.28754%0.537SS..Hα-helixtrans-67.1-54173.7179.1-63.3000110.9Q308 N309 K314 C315 E316Q308-H312 PolarHBondContact O-N 2.89Å; N309-H312 WeakPolarHBondContact O-CB 3.29Å; N309-H312 PolarHBondContact O-N 3.38Å; H312-K314 VanDerWaalsContact C-N 3.26Å; H312-K314 PolarHBondContact O-N 3.03Å; H312-C315 WeakPolarHBondContact O-CB 3.45Å; H312-C315 PolarHBondContact O-N 3.11Å; H312-E316 IonicContact CE1-OE1 3.4Å; H312-E316 PolarHBondContact CE1-OE1 3.38Å; H312-E316 IonicContact CE1-OE2 2.95Å; H312-E316 PolarHBondContact O-N 2.9Å
313E43.6Very low41.2Very low137 Ų137107.2 Ų107.264%0.6452%0.523SS*.Hα-helixtrans-59.6-40-179.9-159.7167.2-131.500110.9N309 C315 E316 E317N309-E313 PolarHBondContact O-N 3.11Å; N309-E313 VanDerWaalsContact O-N 3.15Å; E313-C315 VanDerWaalsContact C-N 3.29Å; E313-C315 PolarHBondContact O-N 2.69Å; E313-E316 PolarHBondContact O-N 2.99Å; E313-E317 PolarHBondContact O-N 2.99Å; E313-E317 VanDerWaalsContact O-N 3.16Å
314K37.1Very low41.8Very low128 Ų128106.3 Ų106.356%0.55752%0.517SS*.Hα-helixtrans-72.1-13.1176.1-160.9171.8-159.9161.60115.1D310 H312 K318D310-K314 WeakPolarHBondContact O-CB 3.49Å; D310-K314 PolarHBondContact O-N 3.49Å; D310-K314 VanDerWaalsContact O-N 3.15Å; H312-K314 VanDerWaalsContact C-N 3.26Å; H312-K314 PolarHBondContact O-N 3.03Å; K314-K318 WeakPolarHBondContact O-CG 3.43Å
315C39.4Very low41.9Very low80 Ų80110.1 Ų110.154%0.54153%0.531SS..Hα-helixtrans-83.9-37.6167.6-74.80000111.5E311 H312 E313 K318 E319E311-C315 PolarHBondContact O-N 2.99Å; E311-C315 VanDerWaalsContact O-N 3.1Å; E311-C315 PolarHBondContact O-SG 2.88Å; H312-C315 WeakPolarHBondContact O-CB 3.45Å; H312-C315 PolarHBondContact O-N 3.11Å; E313-C315 VanDerWaalsContact C-N 3.29Å; E313-C315 PolarHBondContact O-N 2.69Å; C315-K318 PolarHBondContact O-N 3.32Å; C315-E319 PolarHBondContact O-N 3.5Å
316E45Very low42.2Very low99 Ų99109.9 Ų109.946%0.46354%0.536SS..Hα-helixtrans-63.9-40176.3-64.5-171.4143.400111.5H312 E313 K318 E320H312-E316 IonicContact CE1-OE1 3.4Å; H312-E316 PolarHBondContact CE1-OE1 3.38Å; H312-E316 IonicContact CE1-OE2 2.95Å; H312-E316 PolarHBondContact O-N 2.9Å; E313-E316 PolarHBondContact O-N 2.99Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 2.97Å; E316-E320 PolarHBondContact O-N 3.19Å
317E40.5Very low42.4Very low136 Ų136107.9 Ų107.964%0.63653%0.532SS*.Hα-helixtrans-60.9-38.7172.7-68.7-167.6135.600113.1E313 E320 E321E313-E317 PolarHBondContact O-N 2.99Å; E313-E317 VanDerWaalsContact O-N 3.16Å; E317-E320 WeakPolarHBondContact O-CB 3.49Å; E317-E320 PolarHBondContact O-N 3.18Å; E317-E321 PolarHBondContact O-N 2.92Å
318K41.1Very low42.3Very low127 Ų127108.3 Ų108.355%0.55254%0.538SS*.Hα-helixtrans-74.9-35.8-178.1-76.4178.9178.9177.40113.5K314 C315 E316 E320 E321 E322K314-K318 WeakPolarHBondContact O-CG 3.43Å; C315-K318 PolarHBondContact O-N 3.32Å; E316-K318 VanDerWaalsContact C-N 3.34Å; E316-K318 PolarHBondContact O-N 2.97Å; K318-E320 PolarHBondContact O-N 3.45Å; K318-E321 PolarHBondContact O-N 2.7Å; K318-E322 PolarHBondContact O-N 3.06Å
319E46.8Very low42.1Very low84 Ų84108.9 Ų108.939%0.39354%0.544SS..Hα-helixtrans-60.1-32.8169.8-76.6-152.1155.300111.3R28 C315 S323R28-E319 IonicContact CZ-OE1 2.65Å; R28-E319 IonicContact NH1-OE1 2.96Å; R28-E319 PolarHBondContact NH1-OE1 3.17Å; R28-E319 IonicContact NH2-OE1 3.99Å; R28-E319 PolarHBondContact NH2-OE1 2.81Å; C315-E319 PolarHBondContact O-N 3.5Å; E319-S323 WeakPolarHBondContact O-CB 2.81Å; E319-S323 PolarHBondContact O-N 2.7Å; E319-S323 PolarHBondContact O-OG 2.93Å
320E45.2Very low41.9Very low99 Ų99111.9 Ų111.946%0.46356%0.555SS.*Hα-helixtrans-71.4-35.7173.8-87.9-132.6166.800113.6E316 E317 K318 K324E316-E320 PolarHBondContact O-N 3.19Å; E317-E320 WeakPolarHBondContact O-CB 3.49Å; E317-E320 PolarHBondContact O-N 3.18Å; K318-E320 PolarHBondContact O-N 3.45Å; E320-K324 WeakPolarHBondContact O-CD 3.38Å; E320-K324 VanDerWaalsContact O-CE 3.23Å; E320-K324 WeakPolarHBondContact O-CE 3.43Å; E320-K324 WeakPolarHBondContact O-CG 3.34Å; E320-K324 PolarHBondContact O-N 2.88Å; E320-K324 VanDerWaalsContact OE2-CE 3.28Å; E320-K324 WeakPolarHBondContact OE2-CE 3.45Å; E320-K324 IonicContact OE2-NZ 2.68Å; E320-K324 PolarHBondContact OE2-NZ 2.67Å
321E41.3Very low41.7Very low131 Ų131116 Ų11661%0.61257%0.571SS**Hα-helixtrans-73.5-47176.7-73.5-149.6128.400113.5E317 K318 S323 K324 M325E317-E321 PolarHBondContact O-N 2.92Å; K318-E321 PolarHBondContact O-N 2.7Å; E321-S323 VanDerWaalsContact C-N 3.27Å; E321-S323 PolarHBondContact O-N 3.05Å; E321-K324 PolarHBondContact O-N 2.88Å; E321-M325 PolarHBondContact O-N 2.67Å
322E44.8Very low41.2Very low150 Ų150117 Ų11770%0.70158%0.581SS**Hα-helixtrans-61.3-38.8176.8-73.1-171.815500110.9K318 K324 M325 V326K318-E322 PolarHBondContact O-N 3.06Å; E322-K324 VanDerWaalsContact C-N 3.26Å; E322-K324 PolarHBondContact O-N 2.93Å; E322-M325 PolarHBondContact O-N 2.62Å; E322-V326 WeakPolarHBondContact O-CG2 2.78Å; E322-V326 PolarHBondContact O-N 3.43Å
323S42.5Very low40.5Very low58 Ų58121.6 Ų121.641%0.40661%0.607SS.*Hα-helixtrans-59.8-32.9173.8-640000113.3E319 E321 T327E319-S323 WeakPolarHBondContact O-CB 2.81Å; E319-S323 PolarHBondContact O-N 2.7Å; E319-S323 PolarHBondContact O-OG 2.93Å; E321-S323 VanDerWaalsContact C-N 3.27Å; E321-S323 PolarHBondContact O-N 3.05Å; S323-T327 PolarHBondContact O-OG1 3.45Å
324K43.4Very low40.1Very low103 Ų103122.3 Ų122.345%0.44862%0.616SS.*Hα-helixtrans-83.9-28.2-179-70.1161.1-161.8163.90112.9E320 E321 E322 T327 N328E320-K324 WeakPolarHBondContact O-CD 3.38Å; E320-K324 VanDerWaalsContact O-CE 3.23Å; E320-K324 WeakPolarHBondContact O-CE 3.43Å; E320-K324 WeakPolarHBondContact O-CG 3.34Å; E320-K324 PolarHBondContact O-N 2.88Å; E320-K324 VanDerWaalsContact OE2-CE 3.28Å; E320-K324 WeakPolarHBondContact OE2-CE 3.45Å; E320-K324 IonicContact OE2-NZ 2.68Å; E320-K324 PolarHBondContact OE2-NZ 2.67Å; E321-K324 PolarHBondContact O-N 2.88Å; E322-K324 VanDerWaalsContact C-N 3.26Å; E322-K324 PolarHBondContact O-N 2.93Å; K324-T327 PolarHBondContact O-OG1 2.99Å; K324-T327 VanDerWaalsContact O-OG1 3.05Å; K324-N328 VanDerWaalsContact O-CG 3.26Å; K324-N328 PolarHBondContact O-ND2 2.67Å
325M38.7Very low39.9Very low129 Ų129125.5 Ų125.564%0.63563%0.63SS**Hα-helixtrans-70.1-42.8174.4-73.5-162.2177.300111.7E321 E322 T327 N328E321-M325 PolarHBondContact O-N 2.67Å; E322-M325 PolarHBondContact O-N 2.62Å; M325-T327 PolarHBondContact O-N 2.83Å; M325-N328 PolarHBondContact O-N 3.1Å
326V43.6Very low39.5Very low89 Ų89130.3 Ų130.354%0.53964%0.644SS.*Hα-helixtrans-62.9-43.3-179.6176.90000111.6E322 N328 I329E322-V326 WeakPolarHBondContact O-CG2 2.78Å; E322-V326 PolarHBondContact O-N 3.43Å; V326-N328 PolarHBondContact O-N 2.62Å; V326-N328 VanDerWaalsContact O-N 3.17Å; V326-I329 PolarHBondContact O-N 2.83Å; V326-I329 VanDerWaalsContact O-N 3.16Å
327T41.4Very low38.8Very low85 Ų85131.9 Ų131.952%0.52166%0.656SS.*Hα-helixtrans-63.1-22.3178.650.20000114.2S323 K324 M325S323-T327 PolarHBondContact O-OG1 3.45Å; K324-T327 PolarHBondContact O-OG1 2.99Å; K324-T327 VanDerWaalsContact O-OG1 3.05Å; M325-T327 PolarHBondContact O-N 2.83Å
328N35.5Very low38.2Very low126 Ų126131.8 Ų131.867%0.67466%0.664SS**THydrogen-bonded Turntrans-88-3.3-179.2-67.5-10.9000113.4K324 M325 V326K324-N328 VanDerWaalsContact O-CG 3.26Å; K324-N328 PolarHBondContact O-ND2 2.67Å; M325-N328 PolarHBondContact O-N 3.1Å; V326-N328 PolarHBondContact O-N 2.62Å; V326-N328 VanDerWaalsContact O-N 3.17Å
329I39.9Very low37.8Very low132 Ų132130.5 Ų130.568%0.67767%0.671SS**THydrogen-bonded Turntrans-97.5-22.2179.5-65.4171000111.5V326V326-I329 PolarHBondContact O-N 2.83Å; V326-I329 VanDerWaalsContact O-N 3.16Å
330E37.7Very low37.1Very low163 Ų163136.1 Ų136.176%0.76270%0.695SS**SBendtrans-91.2-8.3-174.5-61.5-168.4148.300115.2
331E35.9Very low36.4Very low180 Ų180138.6 Ų138.684%0.84171%0.706SS**SBendtrans-94.1-13.1-175.9-71.4-152.2139.100116.2
332D34.5Very low35.8Very low158 Ų158139.5 Ų139.585%0.84571%0.708SS**SBendtrans-104.7-2.5-170.5-1409.5000115.1
333D33.5Very low35.2Very low159 Ų159139.9 Ų139.985%0.8571%0.71SS**SBendtrans-112.238.1-171.3-140.7-5.2000114
334N34.7Very low34.6Very low153 Ų153143.5 Ų143.582%0.81873%0.725SS**  trans-146.376.1172.9-164.2-9.1000114.4
335K33Very low34Very low195 Ų195144.3 Ų144.385%0.84873%0.734SS**  trans-154.3132.7161.2-106.1160.2-164.6151.50111.3
336Q31.1Very low33.6Very low180 Ų180145.6 Ų145.684%0.84174%0.736SS**  trans67.7141.9168.4-62-168.6-74.900116.4
337D30.2Very low33Very low133 Ų133146.9 Ų146.971%0.71174%0.74SS**  cis-153.3160-22.4-150.7-33.6000108.7
338T28.1Very low32.5Very low133 Ų133152.1 Ų152.182%0.81676%0.759SS**  trans-114.592.1-178.9450000112
339S31.7Very low32.3Very low100 Ų100153.4 Ų153.470%0.69976%0.76SS**  trans-164.7142.5154.147.20000117.5
340K31.5Very low31.8Very low202 Ų202154.5 Ų154.588%0.87876%0.763SS**  trans84.6151.2149.6-76166.9-178173.30121
341E30.8Very low31.4Very low151 Ų151154.8 Ų154.871%0.70677%0.768SS**  trans-100.9161.2-164.7-50.1170.480.800113.2
342K30.1Very low31.3Very low150 Ų150152.2 Ų152.265%0.65277%0.765SS**  trans79.4140136.1-85.3162.4-178.7149.90122.9
343E30.6Very low31.7Very low159 Ų159150 Ų15074%0.74376%0.759SS**  trans81.6105.8140.5-75.1161.7-146.400120.6
344D31.2Very low31.6Very low134 Ų134152.6 Ų152.672%0.71776%0.757SS**  88.8120.4123.2-87.135.5000124.5
345N30.3Very low31.4Very low120 Ų120155 Ų15564%0.64276%0.76SS**  trans70.9103.6133.6-84.7-56000122.6
346K29.8Very low31.5Very low156 Ų156151.3 Ų151.368%0.67875%0.75SS**  75.6140.3115.9-90.5-176.5143.7-70.90123
347D31.2Very low31.5Very low116 Ų116150.2 Ų150.262%0.6275%0.749SS**  trans53112146.9-47.4-20000120.1
348Q31Very low31.6Very low195 Ų195151.2 Ų151.291%0.91176%0.755SS**  -174.7-175.8101.3-100.3-173.79.400114.4
349E31.4Very low33.1Very low152 Ų152150.4 Ų150.471%0.7175%0.752SS**  trans-101.4160.9-153.9-68.3-174.977.400116.9
350Q30.1Very low34.3Very low155 Ų155150.9 Ų150.972%0.72475%0.753SS**  trans35.9128.9141.3-62.2-177.168.700120.8
351L29.7Very low34.3Very low169 Ų169148.3 Ų148.389%0.88575%0.748SS**  -175.1155.9104.7-97.2164.5000112.8
352V32.2Very low35.7Very low126 Ų126146.1 Ų146.176%0.76475%0.747SS**  trans-120.4156.6176.2-1410000108.6
353P44.1Very low35.6Very low112 Ų112144.8 Ų144.873%0.72776%0.757SS**  -156.2140.19237.3-17000118.6
354R30.1Very low35.8Very low214 Ų214144.9 Ų144.981%0.80876%0.759SS**  trans46.7131.8133.6-54.5-179.3-174.7-173.1-0.4121.7
355K32.1Very low36Very low203 Ų203148 Ų14888%0.88377%0.769SS**  -161.6165.2102.7-110.9179.2179.6-1750113.2
356D33.3Very low36.4Very low117 Ų117149.9 Ų149.963%0.62678%0.777SS**  trans-114.3153.8-156.3-29-104.2000112.9
357N32.2Very low36.7Very low157 Ų157151.6 Ų151.684%0.8479%0.787SS**  152.4132.4122.9-77.3-61.6000114.3
358D32Very low36.9Very low155 Ų155153.1 Ų153.183%0.82980%0.795SS**  trans-101.7-158.9165.7-64.2-68000110.3
359P60Low37Very low116 Ų116148.2 Ų148.275%0.75378%0.783SS**  -116.9-142.1-84.541.4-24.6000109.7
360P56.2Low37.1Very low110 Ų110146.6 Ų146.671%0.71479%0.788SS**  cis-132171.5-2240.4-22.9000116.4
361D31.9Very low37.8Very low147 Ų147147.9 Ų147.979%0.78679%0.794SS**  19.7169.2129.9-143.347.2000123.3
362P59.9Low39.1Very low105 Ų105144.3 Ų144.368%0.68278%0.781SS**  cis-123179.7-47.835.6-22.4000114.2
363S29.3Very low39.1Very low122 Ų122145.7 Ų145.785%0.85378%0.784SS**  trans-159.9142.4154.760.70000115.4
364M33.3Very low38.7Very low162 Ų162144.8 Ų144.880%0.79879%0.786SS**  trans-90.9164.4167-51.3160.374.600110.8
365E36.7Very low38.7Very low198 Ų198137.5 Ų137.593%0.92578%0.778SS**  trans-157.2173.9141.9-77-142.8131.600110.3
366M38.2Very low38.8Very low161 Ų161134.7 Ų134.779%0.79378%0.777SS**  trans-133.9-171.5-173.8-63.2-164-167.200112.8
367E36.1Very low38.8Very low191 Ų191133.3 Ų133.389%0.89378%0.777SS**  trans74.9149.8169.6-56.9-176.6-174.900115.6
368D34.4Very low39.1Very low148 Ų148133.2 Ų133.279%0.79178%0.777SS**  cis158.1145.4-26.5171.844.4000105.9
369S34Very low39.2Very low93 Ų93129.5 Ų129.565%0.6578%0.775SS**  trans150.2141.3135.658.90000116.3
370S33.5Very low38.1Very low117 Ų117133.8 Ų133.882%0.81879%0.785SS**  trans88.7148.1150.774.70000121.6
371E44.1Very low37.5Very low182 Ų182135.4 Ų135.485%0.8579%0.788SS**  trans-116.1-147.3-160.7-46.6175.4109.400110.6
372P57.1Low37.7Very low94 Ų94134.9 Ų134.961%0.6178%0.783SS**  cis-141.3-172.4-11.233-8.8000117.4
373N33.6Very low36.5Very low155 Ų155138.8 Ų138.883%0.82979%0.789SS**  trans81.4157.6154.8-68.4-31.2000120.5
374A34.4Very low37.8Very low94 Ų94138 Ų13878%0.77778%0.782SS**  cis-178.9151.6-33.100000111
375G29.7Very low37.7Very low61 Ų61135.9 Ų135.963%0.62978%0.778SS**  trans124.7127.7166.100000113.8
376T34.2Very low37.5Very low143 Ų143134.8 Ų134.888%0.87777%0.772SS**  cis73.4133.542.974.50000113.6
377S35.1Very low37.4Very low89 Ų89134.2 Ų134.262%0.62277%0.773SS**  cis-164.4168.416.353.80000113.9
378N37Very low37.9Very low155 Ų155130.3 Ų130.383%0.82976%0.764SS**  trans73.9140162.2-46.2-25.7000117.3
379G33.8Very low38Very low77 Ų77132 Ų13279%0.79477%0.767SS**  cis115.2110.3-12.900000115.8
380E38.5Very low38Very low205 Ų205136.3 Ų136.396%0.95878%0.777SS**  trans-156168.2160.3-128.2168.5-16300110
381D42.3Very low37.9Very low145 Ų145135.3 Ų135.378%0.77577%0.77SS**  trans-151.1174.8-141.1-165.3-3.5000114.2
382I35.8Very low37.3Very low136 Ų136132.2 Ų132.270%0.69777%0.768SS**  trans96.389.8155.9-52.9167.2000120.8
383K35.8Very low36.2Very low186 Ų186133 Ų13381%0.80978%0.776SS**  69-179.1123-60.8-168.9177.2-176.70120
384P55.9Low36.2Very low106 Ų106132.6 Ų132.669%0.68878%0.779SS**  -140.9-156.9-10833.6-4.9000115.6
385V31.2Very low36.3Very low118 Ų118137.4 Ų137.472%0.71578%0.783SS**  trans77.5149.3163.5-174.30000112.8
386E32.9Very low37.1Very low174 Ų174139.4 Ų139.481%0.81379%0.785SS**  cis-149.7172.823-147138.3-130.200113.3
387N35.2Very low37.1Very low150 Ų150140.9 Ų140.980%0.80278%0.781SS**  trans-104.5147.6162.1-97.11.7000109.8
388P48.2Very low37.4Very low108 Ų108143.8 Ų143.870%0.70179%0.79SS**  -131.9159.8111.79.114000111.7
389E36.1Very low38Very low184 Ų184142.2 Ų142.286%0.8679%0.788SS**  52.2137.473-55.4-172.414800113.2
390E33.4Very low38.2Very low184 Ų184147.8 Ų147.886%0.8679%0.791SS**  cis-149.7-170.328.2-148.7-172.8-165.900113.1
391S30.8Very low39Very low96 Ų96144.1 Ų144.167%0.67179%0.785SS**  trans-69.5165.5-170.374.20000117.9
392S31.8Very low39Very low116 Ų116147.1 Ų147.181%0.81179%0.791SS**  -178.8150.5109.7440000116.3
393S33.7Very low39.3Very low110 Ų110149.9 Ų149.977%0.76980%0.801SS**  trans-58.7145.4-176.8-39.10000117.9
394T34.1Very low39.7Very low147 Ų147146.9 Ų146.990%0.90280%0.803SS**  -168.4140.8125.311.80000115.6
395K36.5Very low39.4Very low196 Ų196146.2 Ų146.285%0.85281%0.807SS**  trans-109.7172.4150.1-89.8-171.4177.1-172.80106.6
396P45.9Very low40.1Very low103 Ų103148.8 Ų148.867%0.66981%0.811SS**  cis-124.8-148.317.833.2-8.1000110.8
397E34.4Very low40.4Very low173 Ų173146.1 Ų146.181%0.80880%0.802SS**  cis-158.8163.17.5-156.4134.2-9400112.3
398D42Very low41.1Very low151 Ų151147.4 Ų147.481%0.80780%0.8SS**  trans-75.9153.8170.1-74.9-69.8000113.3
399P49.6Very low41Very low121 Ų121154.9 Ų154.979%0.78683%0.826SS**  trans-116.8102.9155.134.4-23000112.5
400K39.1Very low41.3Very low195 Ų195153.5 Ų153.585%0.84883%0.825SS**PPolyproline II helixtrans-68.1141.2158.9-80.6-175.2176.2-1800110.1
401P54Low41.7Very low128 Ų128151.8 Ų151.883%0.83182%0.823SS**PPolyproline II helixtrans-67.7148.6166.330.3-34000110.8
402K42.4Very low42.3Very low208 Ų208154.9 Ų154.990%0.90483%0.831SS**PPolyproline II helixtrans-99.3150.9171.2-83.7-174.1174.2-179.70111.3
403E42.1Very low42.9Very low194 Ų194157.2 Ų157.291%0.90783%0.832SS**PPolyproline II helixtrans-67.2154.2166.8-58.6166.3107.200112.1
404S45.5Very low43.5Very low123 Ų123160.2 Ų160.286%0.8684%0.836SS**  trans-147.7121.9150.759.30000108.6
405A48Very low44.1Very low92 Ų92161.1 Ų161.176%0.7683%0.832SS**  trans-100.9-178.7-172.800000113.2
406E46.9Very low44.7Very low171 Ų171158.6 Ų158.680%0.79983%0.83SS**  trans65110.6166.9-58.1-170.588.600118.4
407N39.5Very low44.6Very low119 Ų119162.8 Ų162.864%0.63684%0.843SS**  -161.9170.286.2-106.6-88.1000113.1
408K48.3Very low45.4Very low176 Ų176162 Ų16277%0.76585%0.846SS**  trans-21.1154.2162-64.7149.1-164.6130.60116
409E48Very low45.8Very low266 Ų266163 Ų163100%1.24385%0.849SS**  cis-144.1040.6-163.4170.7154.300114.3

Retrieved 409 of 409 residues in 295.7 ms (Link to these results)

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