A0A096MUU1_PAPAN Loading...

Cholesterol 7-alpha-monooxygenase

AlphaFold DB , UniProt , Accession A0A096MUU1, Species PAPAN (Papio anubis, Olive baboon), Gene CYP7A1, Length 504 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
1M58.3Low78.7Confident238 Ų238106.3 Ų106.3100%1.17257%0.572SS**  0113.80-83.4179.6-87.100107.9T3M1-T3 PolarHBondContact O-N 3.31Å
2M57.8Low79.2Confident106 Ų106105.8 Ų105.852%0.52257%0.567SS.*  trans-61.5131.9169.3-79.2171.853.300108.3L6 I7 I10M2-L6 HydrophobicContact CB-CD2 4.38Å; M2-L6 HydrophobicContact CE-CD2 4.06Å; M2-L6 HydrophobicContact CE-CG 4.35Å; M2-L6 HydrophobicContact CG-CD2 3.98Å; M2-I7 HydrophobicContact CB-CD1 4.32Å; M2-I7 HydrophobicContact CB-CG1 4.05Å; M2-I7 HydrophobicContact CE-CG1 3.75Å; M2-I10 HydrophobicContact CE-CD1 3.51Å
3T80.6Confident79.5Confident82 Ų82102.3 Ų102.350%0.50356%0.562SS.*  trans-63.4145.8175.855.60000109.3M1 S5 L6 I7M1-T3 PolarHBondContact O-N 3.31Å; T3-S5 WeakPolarHBondContact CB-OG 3.41Å; T3-S5 PolarHBondContact O-N 3.31Å; T3-S5 VanDerWaalsContact O-N 3.1Å; T3-S5 PolarHBondContact OG1-OG 3.15Å; T3-L6 WeakPolarHBondContact O-CB 2.78Å; T3-L6 PolarHBondContact O-N 2.66Å; T3-L6 PolarHBondContact OG1-N 3.39Å; T3-I7 PolarHBondContact O-N 3.13Å
4I78.4Confident79.8Confident130 Ų13098.2 Ų98.267%0.66755%0.548SS*.Hα-helixtrans-51.9-36.4177.1-69.8169.5000110.7L6 I7 W8I4-L6 PolarHBondContact O-N 2.68Å; I4-I7 PolarHBondContact O-N 2.93Å; I4-W8 PolarHBondContact O-N 2.88Å
5S77Confident79.6Confident87 Ų8797.3 Ų97.361%0.60855%0.55SS*.Hα-helixtrans-60.7-38.1174.450.60000114.4T3 G9T3-S5 WeakPolarHBondContact CB-OG 3.41Å; T3-S5 PolarHBondContact O-N 3.31Å; T3-S5 VanDerWaalsContact O-N 3.1Å; T3-S5 PolarHBondContact OG1-OG 3.15Å; S5-G9 PolarHBondContact O-N 2.89Å
6L83.4Confident79.3Confident92 Ų9295.4 Ų95.448%0.48254%0.543SS..Hα-helixtrans-73.7-36.5178.9-163.777000111.3M2 T3 I4 G9 I10M2-L6 HydrophobicContact CB-CD2 4.38Å; M2-L6 HydrophobicContact CE-CD2 4.06Å; M2-L6 HydrophobicContact CE-CG 4.35Å; M2-L6 HydrophobicContact CG-CD2 3.98Å; T3-L6 WeakPolarHBondContact O-CB 2.78Å; T3-L6 PolarHBondContact O-N 2.66Å; T3-L6 PolarHBondContact OG1-N 3.39Å; I4-L6 PolarHBondContact O-N 2.68Å; L6-G9 PolarHBondContact O-N 3.03Å; L6-I10 HydrophobicContact CG-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.27Å; L6-I10 PolarHBondContact O-N 3.36Å
7I84.8Confident79.2Confident89 Ų8997.5 Ų97.546%0.45655%0.545SS..Hα-helixtrans-62.7-47.1174.3-63.6168.1000110.1M2 T3 I4 I10 A11M2-I7 HydrophobicContact CB-CD1 4.32Å; M2-I7 HydrophobicContact CB-CG1 4.05Å; M2-I7 HydrophobicContact CE-CG1 3.75Å; T3-I7 PolarHBondContact O-N 3.13Å; I4-I7 PolarHBondContact O-N 2.93Å; I7-I10 PolarHBondContact O-N 2.98Å; I7-A11 WeakPolarHBondContact O-CB 3.45Å; I7-A11 PolarHBondContact O-N 2.81Å
8W85Confident78.8Confident169 Ų16997.4 Ų97.464%0.6454%0.543SS*.Hα-helixtrans-64-40.1175.1-78.7110.4000112.5I4 I10 A11 I12I4-W8 PolarHBondContact O-N 2.88Å; W8-I10 PolarHBondContact O-N 3.27Å; W8-A11 PolarHBondContact O-N 3.47Å; W8-I12 WeakPolarHBondContact O-CB 3.31Å; W8-I12 WeakPolarHBondContact O-CD1 3.16Å; W8-I12 WeakPolarHBondContact O-CG1 3.47Å; W8-I12 PolarHBondContact O-N 3.26Å
9G87.8Confident78.3Confident40 Ų4098.7 Ų98.741%0.41254%0.539SS..Hα-helixtrans-59.2-46.1175.300000112.7S5 L6 A13S5-G9 PolarHBondContact O-N 2.89Å; L6-G9 PolarHBondContact O-N 3.03Å; G9-A13 WeakPolarHBondContact O-CB 3.45Å; G9-A13 PolarHBondContact O-N 3.43Å
10I87.8Confident77.8Confident95 Ų9597.5 Ų97.549%0.48753%0.531SS..Hα-helixtrans-68.2-41.4177.6-67.5164.8000111.1M2 L6 I7 W8 A13 A14M2-I10 HydrophobicContact CE-CD1 3.51Å; L6-I10 HydrophobicContact CG-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.27Å; L6-I10 PolarHBondContact O-N 3.36Å; I7-I10 PolarHBondContact O-N 2.98Å; W8-I10 PolarHBondContact O-N 3.27Å; I10-A13 PolarHBondContact O-N 3.03Å; I10-A14 VanDerWaalsContact O-CB 3.27Å; I10-A14 WeakPolarHBondContact O-CB 3.15Å; I10-A14 PolarHBondContact O-N 3.42Å
11A84.6Confident77.4Confident41 Ų4197.1 Ų97.134%0.33953%0.528SS..Hα-helixtrans-63-43.4177.500000111.9I7 W8 A14 C15I7-A11 WeakPolarHBondContact O-CB 3.45Å; I7-A11 PolarHBondContact O-N 2.81Å; W8-A11 PolarHBondContact O-N 3.47Å; A11-A14 PolarHBondContact O-N 3.47Å; A11-C15 VanDerWaalsContact O-CB 3.32Å; A11-C15 WeakPolarHBondContact O-CB 3.47Å; A11-C15 PolarHBondContact O-N 2.87Å; A11-C15 PolarHBondContact O-SG 2.81Å
12I84.7Confident77.7Confident101 Ų10192.1 Ų92.152%0.51851%0.505SS..Hα-helixtrans-62.8-47.5175.1-69.6166.1000110.1W8 A14 C15 C16W8-I12 WeakPolarHBondContact O-CB 3.31Å; W8-I12 WeakPolarHBondContact O-CD1 3.16Å; W8-I12 WeakPolarHBondContact O-CG1 3.47Å; W8-I12 PolarHBondContact O-N 3.26Å; I12-A14 PolarHBondContact O-N 3.15Å; I12-C15 PolarHBondContact O-N 3.06Å; I12-C16 WeakPolarHBondContact O-CB 3.43Å; I12-C16 PolarHBondContact O-N 2.85Å; I12-C16 PolarHBondContact O-SG 3.42Å
13A83.6Confident78.2Confident60 Ų6088.4 Ų88.450%0.49649%0.494SS..Hα-helixtrans-60.5-43.7178.300000112.1G9 I10 C16 F17G9-A13 WeakPolarHBondContact O-CB 3.45Å; G9-A13 PolarHBondContact O-N 3.43Å; I10-A13 PolarHBondContact O-N 3.03Å; A13-C16 PolarHBondContact O-N 3.02Å; A13-F17 VanDerWaalsContact O-CB 3.29Å; A13-F17 WeakPolarHBondContact O-CB 3.43Å; A13-F17 PolarHBondContact O-N 2.94Å
14A83Confident78.2Confident45 Ų4587.8 Ų87.837%0.37249%0.487SS..Hα-helixtrans-65.2-42.8177.100000112.1I10 A11 I12 F17 L18I10-A14 VanDerWaalsContact O-CB 3.27Å; I10-A14 WeakPolarHBondContact O-CB 3.15Å; I10-A14 PolarHBondContact O-N 3.42Å; A11-A14 PolarHBondContact O-N 3.47Å; I12-A14 PolarHBondContact O-N 3.15Å; A14-F17 PolarHBondContact O-N 3.41Å; A14-L18 WeakPolarHBondContact O-CB 3.47Å; A14-L18 WeakPolarHBondContact O-CG 2.99Å; A14-L18 PolarHBondContact O-N 3.27Å
15C77.3Confident78.8Confident85 Ų8582.6 Ų82.657%0.57446%0.459SS*.Hα-helixtrans-64.5-42.1174.9-75.40000112.1A11 I12 F17 L18 W19A11-C15 VanDerWaalsContact O-CB 3.32Å; A11-C15 WeakPolarHBondContact O-CB 3.47Å; A11-C15 PolarHBondContact O-N 2.87Å; A11-C15 PolarHBondContact O-SG 2.81Å; I12-C15 PolarHBondContact O-N 3.06Å; C15-F17 VanDerWaalsContact C-N 3.33Å; C15-L18 PolarHBondContact O-N 3.32Å; C15-W19 WeakPolarHBondContact O-CB 3.27Å; C15-W19 PolarHBondContact O-N 3.47Å
16C74.5Confident79.5Confident66 Ų6687.9 Ų87.945%0.44647%0.466SS..Hα-helixtrans-62.1-41.7173.8-72.70000111.4I12 A13 W19 L20I12-C16 WeakPolarHBondContact O-CB 3.43Å; I12-C16 PolarHBondContact O-N 2.85Å; I12-C16 PolarHBondContact O-SG 3.42Å; A13-C16 PolarHBondContact O-N 3.02Å; C16-W19 PolarHBondContact O-N 3.5Å; C16-L20 WeakPolarHBondContact O-CB 3.48Å; C16-L20 WeakPolarHBondContact O-CD1 3.23Å; C16-L20 VanDerWaalsContact O-CG 3.25Å; C16-L20 WeakPolarHBondContact O-CG 3.24Å; C16-L20 PolarHBondContact O-N 2.77Å
17F78.6Confident80.2Confident131 Ų13190.2 Ų90.258%0.57547%0.468SS*.Hα-helixtrans-68.8-42.4178.2-168.4-104.4000112.7A13 A14 C15 L20 I21A13-F17 VanDerWaalsContact O-CB 3.29Å; A13-F17 WeakPolarHBondContact O-CB 3.43Å; A13-F17 PolarHBondContact O-N 2.94Å; A14-F17 PolarHBondContact O-N 3.41Å; C15-F17 VanDerWaalsContact C-N 3.33Å; F17-L20 WeakPolarHBondContact O-CB 3.35Å; F17-L20 PolarHBondContact O-N 3.17Å; F17-I21 HydrophobicContact CD1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CD1 3.24Å; F17-I21 HydrophobicContact CE1-CG1 4.44Å; F17-I21 HydrophobicContact CE2-CD1 4.3Å; F17-I21 HydrophobicContact CG-CD1 4.42Å; F17-I21 HydrophobicContact CZ-CD1 3.58Å; F17-I21 WeakPolarHBondContact O-CG1 3.45Å; F17-I21 PolarHBondContact O-N 3.4Å
18L72.1Confident80.7Confident97 Ų9791.5 Ų91.551%0.50847%0.472SS..Hα-helixtrans-63.5-40.9173.4-82.4160.6000111.6A14 C15 I21 L22A14-L18 WeakPolarHBondContact O-CB 3.47Å; A14-L18 WeakPolarHBondContact O-CG 2.99Å; A14-L18 PolarHBondContact O-N 3.27Å; C15-L18 PolarHBondContact O-N 3.32Å; L18-I21 PolarHBondContact O-N 2.98Å; L18-L22 HydrophobicContact CD2-CD1 3.91Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 PolarHBondContact O-N 3.4Å
19W68.9Low81.3Confident122 Ų12290 Ų9046%0.46248%0.482SS..Hα-helixtrans-67.7-35.1175.3-177.879.1000112.4C15 C16 G23 P40C15-W19 WeakPolarHBondContact O-CB 3.27Å; C15-W19 PolarHBondContact O-N 3.47Å; C16-W19 PolarHBondContact O-N 3.5Å; W19-G23 WeakPolarHBondContact O-CA 3.41Å; W19-G23 PolarHBondContact O-N 3.42Å; W19-P40 HydrophobicContact CE3-CB 4.03Å; W19-P40 HydrophobicContact CE3-CG 4.24Å; W19-P40 HydrophobicContact CH2-CB 3.57Å; W19-P40 HydrophobicContact CH2-CG 4.2Å; W19-P40 HydrophobicContact CZ2-CB 4.34Å; W19-P40 HydrophobicContact CZ3-CB 3.39Å; W19-P40 HydrophobicContact CZ3-CG 3.6Å
20L68.8Low81.7Confident74 Ų7489.8 Ų89.839%0.38748%0.48SS..Hα-helixtrans-62-39.4171.5-84.6159.9000112.4C16 F17 I24 P40C16-L20 WeakPolarHBondContact O-CB 3.48Å; C16-L20 WeakPolarHBondContact O-CD1 3.23Å; C16-L20 VanDerWaalsContact O-CG 3.25Å; C16-L20 WeakPolarHBondContact O-CG 3.24Å; C16-L20 PolarHBondContact O-N 2.77Å; F17-L20 WeakPolarHBondContact O-CB 3.35Å; F17-L20 PolarHBondContact O-N 3.17Å; L20-I24 WeakPolarHBondContact O-CD1 3.24Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.23Å; L20-P40 HydrophobicContact CD2-CB 4.23Å; L20-P40 HydrophobicContact CD2-CG 3.16Å; L20-P40 HydrophobicContact CG-CG 4.07Å
21I67.9Low82.2Confident90 Ų9085.6 Ų85.646%0.46246%0.458SS..Hα-helixtrans-84.9-42.2-176.6-67.8174.7000112.4F17 L18F17-I21 HydrophobicContact CD1-CD1 3.7Å; F17-I21 HydrophobicContact CE1-CD1 3.24Å; F17-I21 HydrophobicContact CE1-CG1 4.44Å; F17-I21 HydrophobicContact CE2-CD1 4.3Å; F17-I21 HydrophobicContact CG-CD1 4.42Å; F17-I21 HydrophobicContact CZ-CD1 3.58Å; F17-I21 WeakPolarHBondContact O-CG1 3.45Å; F17-I21 PolarHBondContact O-N 3.4Å; L18-I21 PolarHBondContact O-N 2.98Å
22L66.4Low82.9Confident133 Ų13383.7 Ų83.770%0.69644%0.442SS*.Hα-helixtrans-94.9-21.5-174-61.3172.2000113.2L18 I24L18-L22 HydrophobicContact CD2-CD1 3.91Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 PolarHBondContact O-N 3.4Å; L22-I24 VanDerWaalsContact C-N 3.34Å
23G67.6Low83.5Confident27 Ų2779.9 Ų79.928%0.27842%0.424SS..SBendtrans-85.1-2.4-176.900000115.1W19 K70W19-G23 WeakPolarHBondContact O-CA 3.41Å; W19-G23 PolarHBondContact O-N 3.42Å; G23-K70 PolarHBondContact O-NZ 2.93Å
24I81.1Confident84.2Confident70 Ų7078.5 Ų78.536%0.35941%0.408SS..SBendtrans-91.9117.9177.6-62.7178.9000109L20 L22 R26 N36L20-I24 WeakPolarHBondContact O-CD1 3.24Å; L20-I24 VanDerWaalsContact O-CG1 3.3Å; L20-I24 WeakPolarHBondContact O-CG1 3.23Å; L22-I24 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 2.98Å; I24-N36 HydrophobicContact CG2-CB 4.02Å; I24-N36 WeakPolarHBondContact CG2-ND2 3.46Å
25R90.2Very high84.8Confident20 Ų2078.3 Ų78.38%0.07540%0.399CS..PPolyproline II helixtrans-63.5134.6175.6176.6179.8178.9168-2.2109.4E31 L34 N36 Y75 R382 D385R25-E31 IonicContact CZ-OE1 3.47Å; R25-E31 IonicContact NE-OE1 3.8Å; R25-E31 IonicContact NH2-OE1 3.12Å; R25-E31 PolarHBondContact NH2-OE1 3.31Å; R25-L34 HydrophobicContact CB-CD2 4.04Å; R25-L34 HydrophobicContact CG-CD2 3.84Å; R25-L34 WeakPolarHBondContact O-CD2 3.26Å; R25-N36 PolarHBondContact O-ND2 2.82Å; R25-Y75 HydrophobicContact CB-CD1 4.49Å; R25-Y75 HydrophobicContact CB-CE1 3.6Å; R25-Y75 HydrophobicContact CB-CE2 4Å; R25-Y75 WeakPolarHBondContact CB-OH 3.33Å; R25-Y75 HydrophobicContact CG-CE1 4.29Å; R25-Y75 PolarHBondContact N-OH 3.34Å; R25-Y75 VanDerWaalsContact NH1-CB 3.31Å; R25-Y75 VanDerWaalsContact NH1-CG 3.35Å; R25-R382 VanDerWaalsContact NE-CZ 3.29Å; R25-R382 VanDerWaalsContact NH2-CD 3.29Å; R25-R382 VanDerWaalsContact NH2-CG 3.32Å; R25-D385 IonicContact CZ-OD1 3.32Å; R25-D385 IonicContact CZ-OD2 2.74Å; R25-D385 VanDerWaalsContact CZ-OD2 3.22Å; R25-D385 IonicContact NH1-OD1 3.34Å; R25-D385 PolarHBondContact NH1-OD1 3.02Å; R25-D385 IonicContact NH1-OD2 3.62Å; R25-D385 PolarHBondContact NH1-OD2 3.4Å; R25-D385 IonicContact NH2-OD2 2.68Å; R25-D385 PolarHBondContact NH2-OD2 3.2Å
26R92.6Very high85.4Confident199 Ų19975.7 Ų75.775%0.75138%0.38SS*.PPolyproline II helixtrans-97.7139.9167.5-62.6-175.7-177-174.10.5109.5I24 R382I24-R26 PolarHBondContact O-N 2.98Å; R26-R382 PolarHBondContact O-NH2 3.24Å
27R96.6Very high86.1Confident140 Ų14074 Ų7453%0.52837%0.373SS..PPolyproline II helixtrans-65.1131.3174.2-174.3-175.8178-1691.6109.4E31 P32 L34R27-E31 WeakPolarHBondContact CA-OE2 3.33Å; R27-E31 HydrophobicContact CG-CB 4.02Å; R27-E31 PolarHBondContact NE-O 2.95Å; R27-E31 PolarHBondContact NH2-O 3.43Å; R27-P32 WeakPolarHBondContact CD-O 3.46Å; R27-P32 PolarHBondContact NE-O 3.28Å; R27-P32 VanDerWaalsContact NE-O 3.1Å; R27-L34 HydrophobicContact CB-CB 4.21Å
28Q96.9Very high86.3Confident116 Ų11675.2 Ų75.254%0.54239%0.385SS..PPolyproline II helixtrans-100.3167.1173.2-70171.5-10.800110.7G30 E31 R382Q28-G30 PolarHBondContact O-N 3.32Å; Q28-E31 HydrophobicContact CB-CG 4.06Å; Q28-E31 PolarHBondContact N-OE2 3.12Å; Q28-E31 WeakPolarHBondContact O-CB 3.47Å; Q28-E31 PolarHBondContact O-N 3.43Å; Q28-E31 VanDerWaalsContact O-N 3.12Å; Q28-R382 VanDerWaalsContact CD-NH2 3.31Å
29T97.1Very high86.7Confident138 Ų13873.8 Ų73.885%0.84738%0.377SS*.THydrogen-bonded Turntrans-56.3131.1177.6-53.30000111.1E31 N380T29-E31 VanDerWaalsContact C-N 3.26Å; T29-E31 PolarHBondContact O-N 2.8Å; T29-N380 PolarHBondContact O-ND2 3.43Å
30G96.6Very high87Confident36 Ų3669.1 Ų69.137%0.37136%0.362SS..THydrogen-bonded Turntrans79.5-5.9-179.500000115.2Q28 Y379 N380Q28-G30 PolarHBondContact O-N 3.32Å; G30-Y379 CarbonylContact O-C 3.48Å; G30-Y379 WeakPolarHBondContact O-CA 3.35Å; G30-N380 PolarHBondContact O-N 3.28Å
31E98.3Very high87.5Confident7 Ų771.4 Ų71.43%0.03337%0.367CS..PPolyproline II helixtrans-76.6154.8172.8-61.9-167.7128.200111.6R25 R27 Q28 T29 N380 R382R25-E31 IonicContact CZ-OE1 3.47Å; R25-E31 IonicContact NE-OE1 3.8Å; R25-E31 IonicContact NH2-OE1 3.12Å; R25-E31 PolarHBondContact NH2-OE1 3.31Å; R27-E31 WeakPolarHBondContact CA-OE2 3.33Å; R27-E31 HydrophobicContact CG-CB 4.02Å; R27-E31 PolarHBondContact NE-O 2.95Å; R27-E31 PolarHBondContact NH2-O 3.43Å; Q28-E31 HydrophobicContact CB-CG 4.06Å; Q28-E31 PolarHBondContact N-OE2 3.12Å; Q28-E31 WeakPolarHBondContact O-CB 3.47Å; Q28-E31 PolarHBondContact O-N 3.43Å; Q28-E31 VanDerWaalsContact O-N 3.12Å; T29-E31 VanDerWaalsContact C-N 3.26Å; T29-E31 PolarHBondContact O-N 2.8Å; E31-N380 HydrophobicContact CG-CB 4.2Å; E31-R382 VanDerWaalsContact CD-NH2 3.3Å; E31-R382 WeakPolarHBondContact OE1-CG 3.37Å; E31-R382 IonicContact OE1-CZ 3.61Å; E31-R382 VanDerWaalsContact OE1-CZ 3.29Å; E31-R382 IonicContact OE1-NE 2.64Å; E31-R382 PolarHBondContact OE1-NE 3.27Å; E31-R382 IonicContact OE1-NH2 3.57Å; E31-R382 PolarHBondContact OE1-NH2 3.07Å; E31-R382 VanDerWaalsContact OE1-NH2 3.13Å; E31-R382 IonicContact OE2-CZ 2.82Å; E31-R382 IonicContact OE2-NE 2.81Å; E31-R382 IonicContact OE2-NH2 3.6Å; E31-R382 PolarHBondContact OE2-NH2 2.84Å
32P98Very high88.1Confident1 Ų169.3 Ų69.31%0.00636%0.356CS..PPolyproline II helixtrans-60159.4171.3-22.133.6000113.2R27 L34 V66 Y379R27-P32 WeakPolarHBondContact CD-O 3.46Å; R27-P32 PolarHBondContact NE-O 3.28Å; R27-P32 VanDerWaalsContact NE-O 3.1Å; P32-L34 PolarHBondContact O-N 3.34Å; P32-V66 HydrophobicContact CB-CG1 4.01Å; P32-V66 HydrophobicContact CG-CG1 3.83Å; P32-Y379 HydrophobicContact CB-CD1 4.16Å; P32-Y379 HydrophobicContact CG-CD1 3.73Å; P32-Y379 HydrophobicContact CG-CG 4.12Å
33P98Very high89.1Confident20 Ų2063 Ų6313%0.1332%0.324CS..PPolyproline II helixtrans-50.5132.2167.8-26.336000111.5H63 V66 T68P33-H63 HydrophobicContact CB-CB 3.96Å; P33-H63 WeakPolarHBondContact CB-ND1 3.45Å; P33-H63 HydrophobicContact CG-CB 4.06Å; P33-V66 WeakPolarHBondContact CD-O 3.45Å; P33-T68 PolarHBondContact O-N 3.38Å
34L97.3Very high90.2Very high31 Ų3162 Ų6216%0.16231%0.312CS..EExtended strand (participates in β ladder)trans-110.3123.8-171.6175.763000111.6R25 R27 P32 T68 Y75R25-L34 HydrophobicContact CB-CD2 4.04Å; R25-L34 HydrophobicContact CG-CD2 3.84Å; R25-L34 WeakPolarHBondContact O-CD2 3.26Å; R27-L34 HydrophobicContact CB-CB 4.21Å; P32-L34 PolarHBondContact O-N 3.34Å; L34-T68 HydrophobicContact CD1-CG2 3.62Å; L34-Y75 HydrophobicContact CD1-CD1 3.86Å; L34-Y75 HydrophobicContact CD1-CE1 4.09Å
35E95.7Very high90.4Very high41 Ų4159.2 Ų59.219%0.19230%0.3CS..EExtended strand (participates in β ladder)trans-108.698.6172.7-72.1-70.2177.600109.7G37 K62 H63 T68 C69 K70E35-G37 VanDerWaalsContact C-N 3.33Å; E35-K62 IonicContact OE1-NZ 2.8Å; E35-K62 PolarHBondContact OE1-NZ 3.04Å; E35-H63 WeakPolarHBondContact CG-NE2 3.36Å; E35-H63 IonicContact OE1-CD2 2.96Å; E35-H63 IonicContact OE1-CE1 3.81Å; E35-H63 PolarHBondContact OE1-CE1 3.1Å; E35-H63 IonicContact OE1-NE2 2.76Å; E35-H63 PolarHBondContact OE1-NE2 3.32Å; E35-T68 PolarHBondContact N-O 2.9Å; E35-C69 WeakPolarHBondContact O-CA 3.13Å; E35-K70 PolarHBondContact O-N 2.93Å
36N91.3Very high90.2Very high31 Ų3163 Ų6317%0.16632%0.321CS..  trans-77.4-19.1179.2-78.3-55.9000113.3I24 R25 G43 Y75I24-N36 HydrophobicContact CG2-CB 4.02Å; I24-N36 WeakPolarHBondContact CG2-ND2 3.46Å; R25-N36 PolarHBondContact O-ND2 2.82Å; N36-G43 WeakPolarHBondContact O-CA 3.28Å; N36-Y75 WeakPolarHBondContact OD1-CE1 3.43Å
37G88.6Confident90Very high30 Ų3057.4 Ų57.431%0.30930%0.303SS..  trans69.2-178.2-170.900000113.3E35E35-G37 VanDerWaalsContact C-N 3.33Å
38L81.9Confident89.7Confident156 Ų15651.8 Ų51.882%0.81728%0.283SS*.SBendtrans-92.2-30.9-175-64.6174000113.2
39I80.8Confident89.1Confident67 Ų6748.2 Ų48.234%0.34428%0.278SS..BIsolated β-bridgetrans-99.5124.9-175.8-57.8171.6000108Y41 L42 G43 L46I39-Y41 PolarHBondContact O-N 2.87Å; I39-L42 HydrophobicContact CB-CB 4.1Å; I39-L42 HydrophobicContact CB-CD1 4.48Å; I39-L42 HydrophobicContact CD1-CD1 3.97Å; I39-L42 HydrophobicContact CG2-CB 3.96Å; I39-L42 HydrophobicContact CG2-CD1 3.92Å; I39-L42 HydrophobicContact CG2-CG 3.88Å; I39-L42 PolarHBondContact O-N 3.28Å; I39-G43 WeakPolarHBondContact O-CA 3.34Å; I39-G43 PolarHBondContact O-N 3.37Å; I39-L46 HydrophobicContact CD1-CD1 3.54Å
40P74.9Confident88.7Confident24 Ų2445.5 Ų45.516%0.15627%0.269CS..THydrogen-bonded Turntrans-74.4-26.5-156.2-11.224.7000114.6W19 L20 K70W19-P40 HydrophobicContact CE3-CB 4.03Å; W19-P40 HydrophobicContact CE3-CG 4.24Å; W19-P40 HydrophobicContact CH2-CB 3.57Å; W19-P40 HydrophobicContact CH2-CG 4.2Å; W19-P40 HydrophobicContact CZ2-CB 4.34Å; W19-P40 HydrophobicContact CZ3-CB 3.39Å; W19-P40 HydrophobicContact CZ3-CG 3.6Å; L20-P40 HydrophobicContact CD2-CB 4.23Å; L20-P40 HydrophobicContact CD2-CG 3.16Å; L20-P40 HydrophobicContact CG-CG 4.07Å; P40-K70 WeakPolarHBondContact O-CE 3.21Å; P40-K70 PolarHBondContact O-NZ 3.46Å
41Y79.1Confident88.4Confident122 Ų12247.2 Ų47.248%0.47827%0.27SS..THydrogen-bonded Turntrans-88.5-49.6172.5179.5-97.4000112I39 G43 M72 G73I39-Y41 PolarHBondContact O-N 2.87Å; Y41-G43 PolarHBondContact O-N 2.93Å; Y41-M72 HydrophobicContact CE1-SD 4.48Å; Y41-G73 PolarHBondContact O-N 2.83Å
42L81.8Confident88.2Confident46 Ų4646.9 Ų46.924%0.24127%0.268CS..THydrogen-bonded Turntrans-64.3-32.4-178.3-57.9-178.1000111.7I39 C44 A45 L46 M72I39-L42 HydrophobicContact CB-CB 4.1Å; I39-L42 HydrophobicContact CB-CD1 4.48Å; I39-L42 HydrophobicContact CD1-CD1 3.97Å; I39-L42 HydrophobicContact CG2-CB 3.96Å; I39-L42 HydrophobicContact CG2-CD1 3.92Å; I39-L42 HydrophobicContact CG2-CG 3.88Å; I39-L42 PolarHBondContact O-N 3.28Å; L42-C44 PolarHBondContact O-N 3.36Å; L42-A45 HydrophobicContact CB-CB 4.35Å; L42-A45 WeakPolarHBondContact O-CB 3.46Å; L42-A45 PolarHBondContact O-N 2.74Å; L42-L46 HydrophobicContact CD1-CD1 4.28Å; L42-L46 HydrophobicContact CD1-CD2 4.48Å; L42-L46 HydrophobicContact CD1-CG 4.22Å; L42-M72 HydrophobicContact CD2-CE 3.78Å; L42-M72 HydrophobicContact CD2-SD 3.28Å; L42-M72 WeakPolarHBondContact CD2-SD 3.05Å; L42-M72 HydrophobicContact CG-SD 4.48Å; L42-M72 PolarHBondContact O-N 2.76Å
43G87.4Confident88.1Confident1 Ų147.6 Ų47.61%0.0127%0.272CS..BIsolated β-bridgetrans57.6-117.5-172.800000111.2N36 I39 Y41 K70N36-G43 WeakPolarHBondContact O-CA 3.28Å; I39-G43 WeakPolarHBondContact O-CA 3.34Å; I39-G43 PolarHBondContact O-N 3.37Å; Y41-G43 PolarHBondContact O-N 2.93Å; G43-K70 CarbonylContact C-O 3.57Å; G43-K70 WeakPolarHBondContact CA-O 3.44Å
44C89.3Confident88Confident5 Ų550 Ų503%0.03428%0.282CS..THydrogen-bonded Turntrans-90.47178-56.70000113.3L42 L46 Q47 F48 F55 K70 L71L42-C44 PolarHBondContact O-N 3.36Å; C44-L46 VanDerWaalsContact C-N 3.31Å; C44-L46 PolarHBondContact O-N 3.16Å; C44-Q47 VanDerWaalsContact C-OE1 3.24Å; C44-Q47 VanDerWaalsContact CA-OE1 3.28Å; C44-Q47 PolarHBondContact O-N 2.84Å; C44-Q47 PolarHBondContact O-OE1 3.43Å; C44-F48 WeakPolarHBondContact O-CB 3.27Å; C44-F48 PolarHBondContact O-N 3.47Å; C44-F55 HydrophobicContact CB-CE2 4Å; C44-F55 HydrophobicContact CB-CZ 3.61Å; C44-K70 PolarHBondContact N-O 3.38Å; C44-L71 HydrophobicContact CB-CD2 3.92Å
45A85.9Confident88Confident13 Ų1350 Ų5011%0.10728%0.28CS..Hα-helixtrans-62.4-32.9-168.900000114.3L42 G49 L71 M72L42-A45 HydrophobicContact CB-CB 4.35Å; L42-A45 WeakPolarHBondContact O-CB 3.46Å; L42-A45 PolarHBondContact O-N 2.74Å; A45-G49 PolarHBondContact O-N 2.9Å; A45-L71 HydrophobicContact CB-CD2 4.43Å; A45-M72 HydrophobicContact CB-CE 3.71Å; A45-M72 HydrophobicContact CB-CG 3.93Å; A45-M72 HydrophobicContact CB-SD 3.81Å
46L85.8Confident88.1Confident100 Ų10048 Ų4852%0.52427%0.271SS..Hα-helixtrans-70.1-43.5176.5-65.1-180000111.4I39 L42 C44 G49 A50I39-L46 HydrophobicContact CD1-CD1 3.54Å; L42-L46 HydrophobicContact CD1-CD1 4.28Å; L42-L46 HydrophobicContact CD1-CD2 4.48Å; L42-L46 HydrophobicContact CD1-CG 4.22Å; C44-L46 VanDerWaalsContact C-N 3.31Å; C44-L46 PolarHBondContact O-N 3.16Å; L46-G49 PolarHBondContact O-N 3.49Å; L46-A50 WeakPolarHBondContact O-CB 3.29Å; L46-A50 PolarHBondContact O-N 3.3Å
47Q88.4Confident88.5Confident80 Ų8049.3 Ų49.337%0.37427%0.273SS..Hα-helixtrans-65.9-42.6177.6-62.182.7-4.400110.9C44 A50 F55C44-Q47 VanDerWaalsContact C-OE1 3.24Å; C44-Q47 VanDerWaalsContact CA-OE1 3.28Å; C44-Q47 PolarHBondContact O-N 2.84Å; C44-Q47 PolarHBondContact O-OE1 3.43Å; Q47-A50 PolarHBondContact O-N 3.36Å; Q47-F55 HydrophobicContact CB-CD2 3.69Å; Q47-F55 HydrophobicContact CB-CE2 3.82Å
48F89.6Confident88.9Confident22 Ų2250 Ų5010%0.09628%0.276CS..Hα-helixtrans-61.6-46.2173.8-178.7-92.7000111.1C44 A50 N51 P52 F55 L56 L71 F78 L361C44-F48 WeakPolarHBondContact O-CB 3.27Å; C44-F48 PolarHBondContact O-N 3.47Å; F48-A50 VanDerWaalsContact C-N 3.35Å; F48-A50 PolarHBondContact O-N 2.99Å; F48-N51 CarbonylContact O-C 3.51Å; F48-P52 HydrophobicContact CD2-CB 4.36Å; F48-P52 HydrophobicContact CE1-CB 4.24Å; F48-P52 HydrophobicContact CE2-CB 4.05Å; F48-P52 HydrophobicContact CZ-CB 3.98Å; F48-P52 WeakPolarHBondContact O-CA 3.38Å; F48-P52 WeakPolarHBondContact O-CB 3.47Å; F48-P52 WeakPolarHBondContact O-CD 3.29Å; F48-P52 WeakPolarHBondContact O-CG 3.46Å; F48-F55 HydrophobicContact CB-CD1 4.12Å; F48-F55 HydrophobicContact CB-CE1 4.23Å; F48-F55 HydrophobicContact CB-CG 4.49Å; F48-F55 AromaticContact CD2-CD1 3.68Å; F48-F55 HydrophobicContact CD2-CD1 3.68Å; F48-F55 AromaticContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CG-CD1 4.39Å; F48-L56 HydrophobicContact CD2-CD2 4.44Å; F48-L56 HydrophobicContact CD2-CG 4.48Å; F48-L56 HydrophobicContact CE2-CD1 4.04Å; F48-L56 HydrophobicContact CE2-CD2 4.16Å; F48-L56 HydrophobicContact CE2-CG 4.09Å; F48-L71 HydrophobicContact CB-CD2 3.9Å; F48-L71 HydrophobicContact CD2-CD1 4.38Å; F48-L71 HydrophobicContact CG-CD1 4.4Å; F48-L71 HydrophobicContact CG-CD2 4.23Å; F48-F78 HydrophobicContact CE2-CE1 4.43Å; F48-F78 AromaticContact CE2-CZ 3.93Å; F48-F78 HydrophobicContact CE2-CZ 3.93Å; F48-L361 HydrophobicContact CZ-CD1 4.33Å
49G85.8Confident89.7Confident42 Ų4243.1 Ų43.143%0.43324%0.24SC..Hα-helixtrans-68.3-27.8-17900000114.7A45 L46A45-G49 PolarHBondContact O-N 2.9Å; L46-G49 PolarHBondContact O-N 3.49Å
50A87.8Confident90.5Very high81 Ų8142.3 Ų42.367%0.66924%0.235SC*.Hα-helixtrans-72.1-44.7-178.800000113.1L46 Q47 F48L46-A50 WeakPolarHBondContact O-CB 3.29Å; L46-A50 PolarHBondContact O-N 3.3Å; Q47-A50 PolarHBondContact O-N 3.36Å; F48-A50 VanDerWaalsContact C-N 3.35Å; F48-A50 PolarHBondContact O-N 2.99Å
51N91.1Very high91.6Very high72 Ų7249.5 Ų49.539%0.38526%0.259SS..  trans-153.284.6173.4-171.7-22.3000109.6F48 L53 E54 F55F48-N51 CarbonylContact O-C 3.51Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 3.06Å; N51-E54 PolarHBondContact O-N 3.4Å; N51-E54 PolarHBondContact OD1-N 3.46Å; N51-F55 VanDerWaalsContact O-CB 3.22Å; N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.27Å
52P94.4Very high92.5Very high0 Ų050.5 Ų50.50%027%0.266CS..Hα-helixtrans-58.8-41.8-172.1-16.820.2000112.9F48 L56 A484F48-P52 HydrophobicContact CD2-CB 4.36Å; F48-P52 HydrophobicContact CE1-CB 4.24Å; F48-P52 HydrophobicContact CE2-CB 4.05Å; F48-P52 HydrophobicContact CZ-CB 3.98Å; F48-P52 WeakPolarHBondContact O-CA 3.38Å; F48-P52 WeakPolarHBondContact O-CB 3.47Å; F48-P52 WeakPolarHBondContact O-CD 3.29Å; F48-P52 WeakPolarHBondContact O-CG 3.46Å; P52-L56 WeakPolarHBondContact O-CB 3.26Å; P52-L56 VanDerWaalsContact O-CG 3.23Å; P52-L56 WeakPolarHBondContact O-CG 3.42Å; P52-L56 PolarHBondContact O-N 2.94Å; P52-A484 HydrophobicContact CB-CB 4.04Å; P52-A484 HydrophobicContact CG-CB 3.36Å
53L95.7Very high93.2Very high16 Ų1650.7 Ų50.78%0.08427%0.265CS..Hα-helixtrans-65.3-50.4-177.5-178.363.4000111.7N51 L56 R57 Y390 Q392 L393 L396N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 3.06Å; L53-L56 PolarHBondContact O-N 2.82Å; L53-R57 WeakPolarHBondContact O-CB 3.24Å; L53-R57 WeakPolarHBondContact O-CG 3.27Å; L53-R57 PolarHBondContact O-N 2.86Å; L53-Y390 HydrophobicContact CD1-CE1 4.32Å; L53-Q392 HydrophobicContact CD1-CG 4.29Å; L53-L393 HydrophobicContact CD1-CD2 3.78Å; L53-L393 HydrophobicContact CD1-CG 4.34Å; L53-L396 HydrophobicContact CD2-CD1 3.72Å
54E96.6Very high93.7Very high71 Ų7152.1 Ų52.133%0.33228%0.28SS..Hα-helixtrans-71.1-32.7178.7-74.4-53.6128.800112.6N51 L56 R57 A58 R61N51-E54 PolarHBondContact O-N 3.4Å; N51-E54 PolarHBondContact OD1-N 3.46Å; E54-L56 PolarHBondContact O-N 3.36Å; E54-R57 PolarHBondContact O-N 2.91Å; E54-R57 VanDerWaalsContact OE1-CD 3.25Å; E54-R57 WeakPolarHBondContact OE1-CD 3.49Å; E54-R57 IonicContact OE1-CZ 3.13Å; E54-R57 IonicContact OE1-NE 2.74Å; E54-R57 IonicContact OE1-NH1 2.76Å; E54-R57 PolarHBondContact OE1-NH1 3.1Å; E54-A58 VanDerWaalsContact O-CB 3.23Å; E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3Å; E54-R61 IonicContact OE2-NH2 2.77Å
55F96.9Very high94.1Very high29 Ų2955.1 Ų55.113%0.12729%0.293CS..Hα-helixtrans-58.4-47.7171.1171.6-92.5000111.2C44 Q47 F48 N51 A58 N59C44-F55 HydrophobicContact CB-CE2 4Å; C44-F55 HydrophobicContact CB-CZ 3.61Å; Q47-F55 HydrophobicContact CB-CD2 3.69Å; Q47-F55 HydrophobicContact CB-CE2 3.82Å; F48-F55 HydrophobicContact CB-CD1 4.12Å; F48-F55 HydrophobicContact CB-CE1 4.23Å; F48-F55 HydrophobicContact CB-CG 4.49Å; F48-F55 AromaticContact CD2-CD1 3.68Å; F48-F55 HydrophobicContact CD2-CD1 3.68Å; F48-F55 AromaticContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CD2-CE1 3.96Å; F48-F55 HydrophobicContact CG-CD1 4.39Å; N51-F55 VanDerWaalsContact O-CB 3.22Å; N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.27Å; F55-A58 PolarHBondContact O-N 2.95Å; F55-N59 WeakPolarHBondContact CE1-ND2 3.19Å; F55-N59 WeakPolarHBondContact CE2-ND2 3.33Å; F55-N59 WeakPolarHBondContact CZ-ND2 2.98Å; F55-N59 PolarHBondContact O-N 3.31Å; F55-N59 PolarHBondContact O-ND2 3.15Å
56L97.9Very high94.8Very high0 Ų054.6 Ų54.60%029%0.289CS..Hα-helixtrans-68.3-40.9179.2-69.2174.4000112F48 P52 L53 E54 A58 N59 Q60 F67 F78 Y390 L393F48-L56 HydrophobicContact CD2-CD2 4.44Å; F48-L56 HydrophobicContact CD2-CG 4.48Å; F48-L56 HydrophobicContact CE2-CD1 4.04Å; F48-L56 HydrophobicContact CE2-CD2 4.16Å; F48-L56 HydrophobicContact CE2-CG 4.09Å; P52-L56 WeakPolarHBondContact O-CB 3.26Å; P52-L56 VanDerWaalsContact O-CG 3.23Å; P52-L56 WeakPolarHBondContact O-CG 3.42Å; P52-L56 PolarHBondContact O-N 2.94Å; L53-L56 PolarHBondContact O-N 2.82Å; E54-L56 PolarHBondContact O-N 3.36Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.2Å; L56-N59 PolarHBondContact O-N 3.02Å; L56-Q60 WeakPolarHBondContact O-CB 3.26Å; L56-Q60 PolarHBondContact O-N 3.36Å; L56-F67 HydrophobicContact CD2-CE2 3.89Å; L56-F67 HydrophobicContact CD2-CZ 3.8Å; L56-F78 HydrophobicContact CD1-CD1 4.45Å; L56-F78 HydrophobicContact CD1-CE1 4.22Å; L56-F78 HydrophobicContact CD2-CD1 3.75Å; L56-F78 HydrophobicContact CD2-CD2 3.87Å; L56-F78 HydrophobicContact CD2-CE1 3.75Å; L56-F78 HydrophobicContact CD2-CE2 3.86Å; L56-F78 HydrophobicContact CD2-CG 3.8Å; L56-F78 HydrophobicContact CD2-CZ 3.8Å; L56-Y390 HydrophobicContact CD1-CD1 3.37Å; L56-Y390 HydrophobicContact CD1-CD2 4.22Å; L56-Y390 HydrophobicContact CD1-CE1 4.06Å; L56-Y390 HydrophobicContact CD1-CG 3.45Å; L56-Y390 VanDerWaalsContact CD1-CG 3.45Å; L56-L393 HydrophobicContact CB-CD1 4.16Å; L56-L393 HydrophobicContact CB-CD2 4.26Å; L56-L393 HydrophobicContact CD1-CD1 4.31Å
57R98.1Very high95.4Very high59 Ų5949.9 Ų49.922%0.22326%0.264CS..Hα-helixtrans-62.3-39.6174.2-75.1173.3168.4167-3.2112.4L53 E54 Q60 R61 L393 L396L53-R57 WeakPolarHBondContact O-CB 3.24Å; L53-R57 WeakPolarHBondContact O-CG 3.27Å; L53-R57 PolarHBondContact O-N 2.86Å; E54-R57 PolarHBondContact O-N 2.91Å; E54-R57 VanDerWaalsContact OE1-CD 3.25Å; E54-R57 WeakPolarHBondContact OE1-CD 3.49Å; E54-R57 IonicContact OE1-CZ 3.13Å; E54-R57 IonicContact OE1-NE 2.74Å; E54-R57 IonicContact OE1-NH1 2.76Å; E54-R57 PolarHBondContact OE1-NH1 3.1Å; R57-Q60 PolarHBondContact O-N 2.84Å; R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3Å; R57-L393 HydrophobicContact CG-CD2 3.64Å; R57-L396 PolarHBondContact NH2-O 2.85Å
58A98.1Very high95.8Very high43 Ų4346.2 Ų46.236%0.35525%0.247SC..Hα-helixtrans-64.1-42.617600000111.6E54 F55 L56 R61 K62E54-A58 VanDerWaalsContact O-CB 3.23Å; E54-A58 WeakPolarHBondContact O-CB 3.28Å; E54-A58 PolarHBondContact O-N 3Å; F55-A58 PolarHBondContact O-N 2.95Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 3.2Å; A58-R61 PolarHBondContact O-N 3.13Å; A58-K62 WeakPolarHBondContact O-CB 3.33Å; A58-K62 PolarHBondContact O-N 3.42Å
59N97.9Very high96.2Very high12 Ų1245.1 Ų45.16%0.06424%0.243CC..Hα-helixtrans-67-36.8174-78-72.5000112.3F55 L56 R61 K62 H63 F67F55-N59 WeakPolarHBondContact CE1-ND2 3.19Å; F55-N59 WeakPolarHBondContact CE2-ND2 3.33Å; F55-N59 WeakPolarHBondContact CZ-ND2 2.98Å; F55-N59 PolarHBondContact O-N 3.31Å; F55-N59 PolarHBondContact O-ND2 3.15Å; L56-N59 PolarHBondContact O-N 3.02Å; N59-R61 PolarHBondContact O-N 2.91Å; N59-K62 PolarHBondContact O-N 2.81Å; N59-H63 WeakPolarHBondContact O-CB 3.37Å; N59-H63 PolarHBondContact O-N 3.16Å; N59-F67 HydrophobicContact CB-CD1 4.14Å; N59-F67 HydrophobicContact CB-CD2 3.85Å; N59-F67 HydrophobicContact CB-CE1 3.86Å; N59-F67 HydrophobicContact CB-CE2 3.53Å; N59-F67 HydrophobicContact CB-CG 4.14Å; N59-F67 HydrophobicContact CB-CZ 3.54Å
60Q97.6Very high96.6Very high51 Ų5143.8 Ų43.824%0.23823%0.225CC..Hα-helixtrans-61.9-42.8174.1-173-179.1-8.900111.6L56 R57 K62 G64 H65 F67L56-Q60 WeakPolarHBondContact O-CB 3.26Å; L56-Q60 PolarHBondContact O-N 3.36Å; R57-Q60 PolarHBondContact O-N 2.84Å; Q60-K62 VanDerWaalsContact C-N 3.32Å; Q60-K62 PolarHBondContact O-N 3.47Å; Q60-G64 WeakPolarHBondContact CA-O 3.32Å; Q60-G64 CarbonylContact O-C 3.55Å; Q60-G64 WeakPolarHBondContact O-CA 3.44Å; Q60-G64 PolarHBondContact O-N 3.43Å; Q60-H65 PolarHBondContact NE2-CE1 3.45Å; Q60-H65 PolarHBondContact NE2-ND1 2.93Å; Q60-H65 VanDerWaalsContact NE2-ND1 3.2Å; Q60-F67 HydrophobicContact CB-CE1 4.36Å
61R98.1Very high96.8Very high174 Ų17441.1 Ų41.166%0.65720%0.199SC*.Hα-helixtrans-63.5-36.8173.5-72.3-175.7-67.4-95.74.2112.7E54 R57 A58 N59E54-R61 IonicContact OE2-NH2 2.77Å; R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3Å; A58-R61 PolarHBondContact O-N 3.13Å; N59-R61 PolarHBondContact O-N 2.91Å
62K98Very high96.4Very high144 Ų14440.4 Ų40.463%0.62619%0.194SC*.Hα-helixtrans-79.2-39.2-176.1-173.1179.2174.4-167.90113.2E35 A58 N59 Q60E35-K62 IonicContact OE1-NZ 2.8Å; E35-K62 PolarHBondContact OE1-NZ 3.04Å; A58-K62 WeakPolarHBondContact O-CB 3.33Å; A58-K62 PolarHBondContact O-N 3.42Å; N59-K62 PolarHBondContact O-N 2.81Å; Q60-K62 VanDerWaalsContact C-N 3.32Å; Q60-K62 PolarHBondContact O-N 3.47Å
63H97.7Very high96Very high49 Ų4941.9 Ų41.923%0.22721%0.21CC..Hα-helixtrans-121.3-4.8-166.4-62.4-58.4000114.2P33 E35 N59 F67P33-H63 HydrophobicContact CB-CB 3.96Å; P33-H63 WeakPolarHBondContact CB-ND1 3.45Å; P33-H63 HydrophobicContact CG-CB 4.06Å; E35-H63 WeakPolarHBondContact CG-NE2 3.36Å; E35-H63 IonicContact OE1-CD2 2.96Å; E35-H63 IonicContact OE1-CE1 3.81Å; E35-H63 PolarHBondContact OE1-CE1 3.1Å; E35-H63 IonicContact OE1-NE2 2.76Å; E35-H63 PolarHBondContact OE1-NE2 3.32Å; N59-H63 WeakPolarHBondContact O-CB 3.37Å; N59-H63 PolarHBondContact O-N 3.16Å; H63-F67 HydrophobicContact CB-CB 3.9Å
64G97.4Very high95.9Very high32 Ų3245.8 Ų45.833%0.3323%0.226SC..  trans79.8-161.2-170.700000112.3Q60 V66Q60-G64 WeakPolarHBondContact CA-O 3.32Å; Q60-G64 CarbonylContact O-C 3.55Å; Q60-G64 WeakPolarHBondContact O-CA 3.44Å; Q60-G64 PolarHBondContact O-N 3.43Å; G64-V66 VanDerWaalsContact C-N 3.29Å; G64-V66 PolarHBondContact O-N 2.99Å
65H98.3Very high95.9Very high67 Ų6744 Ų4431%0.3122%0.217SC..SBendtrans-75.9-12.3-166.4-72.3-65.8000115.9Q60 T80 N81 D376Q60-H65 PolarHBondContact NE2-CE1 3.45Å; Q60-H65 PolarHBondContact NE2-ND1 2.93Å; Q60-H65 VanDerWaalsContact NE2-ND1 3.2Å; H65-T80 WeakPolarHBondContact CA-OG1 3.34Å; H65-T80 PolarHBondContact ND1-OG1 3.17Å; H65-T80 PolarHBondContact O-N 2.6Å; H65-T80 PolarHBondContact O-OG1 3.01Å; H65-N81 HydrophobicContact CB-CB 3.79Å; H65-D376 VanDerWaalsContact CB-OD2 3.29Å; H65-D376 WeakPolarHBondContact CB-OD2 3.38Å; H65-D376 IonicContact CD2-OD1 3.27Å; H65-D376 IonicContact CD2-OD2 3.7Å; H65-D376 IonicContact CG-OD2 2.76Å
66V98.6Very high95.9Very high3 Ų343.3 Ų43.32%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-131.9120.2-176.2-170.40000109.8P32 P33 G64 F78 L374 Y379P32-V66 HydrophobicContact CB-CG1 4.01Å; P32-V66 HydrophobicContact CG-CG1 3.83Å; P33-V66 WeakPolarHBondContact CD-O 3.45Å; G64-V66 VanDerWaalsContact C-N 3.29Å; G64-V66 PolarHBondContact O-N 2.99Å; V66-F78 WeakPolarHBondContact CA-O 3.38Å; V66-L374 HydrophobicContact CG1-CD1 4.44Å; V66-L374 HydrophobicContact CG2-CD1 3.65Å; V66-Y379 HydrophobicContact CB-CD1 4.43Å; V66-Y379 HydrophobicContact CB-CE1 3.94Å; V66-Y379 HydrophobicContact CB-CE2 4.06Å; V66-Y379 HydrophobicContact CG1-CD1 4.07Å; V66-Y379 HydrophobicContact CG1-CD2 4.17Å; V66-Y379 HydrophobicContact CG1-CE1 4.1Å; V66-Y379 HydrophobicContact CG1-CE2 4.24Å; V66-Y379 HydrophobicContact CG1-CG 4.09Å; V66-Y379 HydrophobicContact CG2-CD2 4.32Å; V66-Y379 HydrophobicContact CG2-CE1 4.46Å; V66-Y379 HydrophobicContact CG2-CE2 3.71Å
67F98.4Very high96Very high0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-150.4157.1178.855.2-92.6000111.1L56 N59 Q60 H63 H77 F78 T80L56-F67 HydrophobicContact CD2-CE2 3.89Å; L56-F67 HydrophobicContact CD2-CZ 3.8Å; N59-F67 HydrophobicContact CB-CD1 4.14Å; N59-F67 HydrophobicContact CB-CD2 3.85Å; N59-F67 HydrophobicContact CB-CE1 3.86Å; N59-F67 HydrophobicContact CB-CE2 3.53Å; N59-F67 HydrophobicContact CB-CG 4.14Å; N59-F67 HydrophobicContact CB-CZ 3.54Å; Q60-F67 HydrophobicContact CB-CE1 4.36Å; H63-F67 HydrophobicContact CB-CB 3.9Å; F67-H77 CarbonylContact O-C 3.47Å; F67-H77 WeakPolarHBondContact O-CA 3.22Å; F67-F78 HydrophobicContact CD2-CB 4.16Å; F67-F78 HydrophobicContact CD2-CD2 4.16Å; F67-F78 HydrophobicContact CE1-CB 4.26Å; F67-F78 HydrophobicContact CE2-CB 3.7Å; F67-F78 AromaticContact CE2-CD2 3.62Å; F67-F78 HydrophobicContact CE2-CD2 3.62Å; F67-F78 AromaticContact CE2-CG 3.9Å; F67-F78 HydrophobicContact CE2-CG 3.9Å; F67-F78 HydrophobicContact CZ-CB 3.75Å; F67-F78 HydrophobicContact CZ-CD2 4.37Å; F67-F78 HydrophobicContact CZ-CG 4.21Å; F67-F78 PolarHBondContact N-O 3.4Å; F67-F78 PolarHBondContact O-N 3.33Å; F67-T80 HydrophobicContact CE1-CG2 3.81Å; F67-T80 HydrophobicContact CZ-CG2 4.17Å
68T98.5Very high96Very high3 Ų340.6 Ų40.62%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-110.2128.8179.7-56.40000110.3P33 L34 E35 Y75 V76 H77P33-T68 PolarHBondContact O-N 3.38Å; L34-T68 HydrophobicContact CD1-CG2 3.62Å; E35-T68 PolarHBondContact N-O 2.9Å; T68-Y75 HydrophobicContact CG2-CD1 4.31Å; T68-V76 CarbonylContact C-O 3.59Å; T68-V76 VanDerWaalsContact CA-O 3.28Å; T68-V76 WeakPolarHBondContact CA-O 3.4Å; T68-H77 PolarHBondContact OG1-CE1 2.93Å; T68-H77 PolarHBondContact OG1-ND1 3.18Å
69C97.4Very high96Very high0 Ų038.6 Ų38.60%019%0.188CC..EExtended strand (participates in β ladder)trans-115.8139.3171.5-620000111E35 L71 V76 F78E35-C69 WeakPolarHBondContact O-CA 3.13Å; C69-L71 HydrophobicContact CB-CD1 4.49Å; C69-L71 HydrophobicContact CB-CD2 4.35Å; C69-L71 HydrophobicContact CB-CG 4.1Å; C69-L71 PolarHBondContact O-N 3.26Å; C69-V76 PolarHBondContact N-O 2.99Å; C69-V76 PolarHBondContact O-N 2.86Å; C69-F78 HydrophobicContact CB-CE2 4.17Å
70K94.6Very high96Very high14 Ų1438.2 Ų38.26%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-78.7115.9165.1-169.2173.4-166.8173.40109.1G23 E35 P40 G43 C44 K74 Y75G23-K70 PolarHBondContact O-NZ 2.93Å; E35-K70 PolarHBondContact O-N 2.93Å; P40-K70 WeakPolarHBondContact O-CE 3.21Å; P40-K70 PolarHBondContact O-NZ 3.46Å; G43-K70 CarbonylContact C-O 3.57Å; G43-K70 WeakPolarHBondContact CA-O 3.44Å; C44-K70 PolarHBondContact N-O 3.38Å; K70-K74 CarbonylContact C-O 3.57Å; K70-K74 WeakPolarHBondContact CA-O 3.24Å; K70-Y75 HydrophobicContact CB-CD1 4.14Å; K70-Y75 HydrophobicContact CB-CE1 3.92Å; K70-Y75 HydrophobicContact CD-CE1 3.95Å; K70-Y75 HydrophobicContact CG-CD1 4.39Å; K70-Y75 HydrophobicContact CG-CE1 3.98Å; K70-Y75 PolarHBondContact NZ-OH 3.5Å
71L91.6Very high96.1Very high24 Ų2436.3 Ų36.313%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-128.3113.2179.2-61.3178.4000109C44 A45 F48 C69 G73 K74 V76 F78C44-L71 HydrophobicContact CB-CD2 3.92Å; A45-L71 HydrophobicContact CB-CD2 4.43Å; F48-L71 HydrophobicContact CB-CD2 3.9Å; F48-L71 HydrophobicContact CD2-CD1 4.38Å; F48-L71 HydrophobicContact CG-CD1 4.4Å; F48-L71 HydrophobicContact CG-CD2 4.23Å; C69-L71 HydrophobicContact CB-CD1 4.49Å; C69-L71 HydrophobicContact CB-CD2 4.35Å; C69-L71 HydrophobicContact CB-CG 4.1Å; C69-L71 PolarHBondContact O-N 3.26Å; L71-G73 PolarHBondContact O-N 2.82Å; L71-K74 PolarHBondContact N-O 3.24Å; L71-K74 PolarHBondContact O-N 3.21Å; L71-V76 HydrophobicContact CB-CG2 4.11Å; L71-V76 HydrophobicContact CD1-CB 4.24Å; L71-V76 HydrophobicContact CD1-CG2 4.03Å; L71-V76 HydrophobicContact CG-CG2 4.31Å; L71-F78 HydrophobicContact CD1-CE2 3.88Å; L71-F78 HydrophobicContact CD1-CZ 3.87Å
72M83.2Confident96.1Very high57 Ų5728.4 Ų28.428%0.28115%0.149SC..THydrogen-bonded Turntrans47.552.7177.6-61-57.7-167.600113.5Y41 L42 A45 K74 A221Y41-M72 HydrophobicContact CE1-SD 4.48Å; L42-M72 HydrophobicContact CD2-CE 3.78Å; L42-M72 HydrophobicContact CD2-SD 3.28Å; L42-M72 WeakPolarHBondContact CD2-SD 3.05Å; L42-M72 HydrophobicContact CG-SD 4.48Å; L42-M72 PolarHBondContact O-N 2.76Å; A45-M72 HydrophobicContact CB-CE 3.71Å; A45-M72 HydrophobicContact CB-CG 3.93Å; A45-M72 HydrophobicContact CB-SD 3.81Å; M72-K74 PolarHBondContact O-N 3.02Å; M72-A221 HydrophobicContact CE-CB 4.22Å
73G85.7Confident96.1Very high32 Ų3223.1 Ų23.133%0.3313%0.127SC..THydrogen-bonded Turntrans75.7-2.9178.900000116.1Y41 L71Y41-G73 PolarHBondContact O-N 2.83Å; L71-G73 PolarHBondContact O-N 2.82Å
74K92.1Very high96.1Very high98 Ų9820.8 Ų20.843%0.42612%0.116SC..EExtended strand (participates in β ladder)trans-103.4148.7172-64.1-63.7-172.5176.70111K70 L71 M72 V76 I386K70-K74 CarbonylContact C-O 3.57Å; K70-K74 WeakPolarHBondContact CA-O 3.24Å; L71-K74 PolarHBondContact N-O 3.24Å; L71-K74 PolarHBondContact O-N 3.21Å; M72-K74 PolarHBondContact O-N 3.02Å; K74-V76 HydrophobicContact CB-CG2 4.44Å; K74-I386 HydrophobicContact CB-CG1 4.35Å
75Y96.9Very high96.2Very high34 Ų3419.2 Ų19.213%0.13310%0.1CC..EExtended strand (participates in β ladder)trans-96.6122.3167.7-66.1-80.8000108.5R25 L34 N36 T68 K70 D385 I386R25-Y75 HydrophobicContact CB-CD1 4.49Å; R25-Y75 HydrophobicContact CB-CE1 3.6Å; R25-Y75 HydrophobicContact CB-CE2 4Å; R25-Y75 WeakPolarHBondContact CB-OH 3.33Å; R25-Y75 HydrophobicContact CG-CE1 4.29Å; R25-Y75 PolarHBondContact N-OH 3.34Å; R25-Y75 VanDerWaalsContact NH1-CB 3.31Å; R25-Y75 VanDerWaalsContact NH1-CG 3.35Å; L34-Y75 HydrophobicContact CD1-CD1 3.86Å; L34-Y75 HydrophobicContact CD1-CE1 4.09Å; N36-Y75 WeakPolarHBondContact OD1-CE1 3.43Å; T68-Y75 HydrophobicContact CG2-CD1 4.31Å; K70-Y75 HydrophobicContact CB-CD1 4.14Å; K70-Y75 HydrophobicContact CB-CE1 3.92Å; K70-Y75 HydrophobicContact CD-CE1 3.95Å; K70-Y75 HydrophobicContact CG-CD1 4.39Å; K70-Y75 HydrophobicContact CG-CE1 3.98Å; K70-Y75 PolarHBondContact NZ-OH 3.5Å; Y75-D385 WeakPolarHBondContact CB-OD1 3.35Å; Y75-I386 PolarHBondContact O-N 3.21Å
76V98.2Very high96.1Very high13 Ų1319.4 Ų19.48%0.07910%0.101CC..EExtended strand (participates in β ladder)trans-116.7112.8-172.6-175.40000108.9T68 C69 L71 K74 F78 I386 A388T68-V76 CarbonylContact C-O 3.59Å; T68-V76 VanDerWaalsContact CA-O 3.28Å; T68-V76 WeakPolarHBondContact CA-O 3.4Å; C69-V76 PolarHBondContact N-O 2.99Å; C69-V76 PolarHBondContact O-N 2.86Å; L71-V76 HydrophobicContact CB-CG2 4.11Å; L71-V76 HydrophobicContact CD1-CB 4.24Å; L71-V76 HydrophobicContact CD1-CG2 4.03Å; L71-V76 HydrophobicContact CG-CG2 4.31Å; K74-V76 HydrophobicContact CB-CG2 4.44Å; V76-F78 HydrophobicContact CB-CE2 4.11Å; V76-F78 HydrophobicContact CG1-CD2 4.14Å; V76-F78 HydrophobicContact CG1-CE1 4.29Å; V76-F78 HydrophobicContact CG1-CE2 3.7Å; V76-F78 HydrophobicContact CG1-CZ 3.78Å; V76-I386 CarbonylContact C-O 3.54Å; V76-I386 WeakPolarHBondContact CA-O 3.48Å; V76-I386 HydrophobicContact CB-CB 4.46Å; V76-I386 HydrophobicContact CG1-CB 4.41Å; V76-I386 HydrophobicContact CG1-CG2 4.09Å; V76-I386 HydrophobicContact CG2-CB 4.11Å; V76-I386 HydrophobicContact CG2-CG2 4.38Å; V76-A388 HydrophobicContact CG1-CB 3.53Å
77H98.6Very high96.1Very high0 Ų022.9 Ų22.90%012%0.116CC..EExtended strand (participates in β ladder)trans-82.7111.1171.3-54-86.5000109.1F67 T68 I79 I381 D385 I386 A388F67-H77 CarbonylContact O-C 3.47Å; F67-H77 WeakPolarHBondContact O-CA 3.22Å; T68-H77 PolarHBondContact OG1-CE1 2.93Å; T68-H77 PolarHBondContact OG1-ND1 3.18Å; H77-I79 HydrophobicContact CB-CD1 4.3Å; H77-I79 WeakPolarHBondContact O-CD1 3.44Å; H77-I381 HydrophobicContact CB-CD1 4.36Å; H77-D385 IonicContact CE1-OD2 3.91Å; H77-D385 VanDerWaalsContact NE2-CB 3.27Å; H77-D385 WeakPolarHBondContact NE2-CB 3.19Å; H77-D385 IonicContact NE2-OD2 2.86Å; H77-D385 PolarHBondContact NE2-OD2 2.88Å; H77-I386 PolarHBondContact CD2-O 3.31Å; H77-I386 VanDerWaalsContact CD2-O 3.31Å; H77-I386 PolarHBondContact N-O 2.78Å; H77-A388 PolarHBondContact O-N 2.92Å
78F98.7Very high96Very high2 Ų222.9 Ų22.91%0.00912%0.116CC..EExtended strand (participates in β ladder)trans-86.4126173-73.7-81000110F48 L56 V66 F67 C69 L71 V76 T80 L361 A388F48-F78 HydrophobicContact CE2-CE1 4.43Å; F48-F78 AromaticContact CE2-CZ 3.93Å; F48-F78 HydrophobicContact CE2-CZ 3.93Å; L56-F78 HydrophobicContact CD1-CD1 4.45Å; L56-F78 HydrophobicContact CD1-CE1 4.22Å; L56-F78 HydrophobicContact CD2-CD1 3.75Å; L56-F78 HydrophobicContact CD2-CD2 3.87Å; L56-F78 HydrophobicContact CD2-CE1 3.75Å; L56-F78 HydrophobicContact CD2-CE2 3.86Å; L56-F78 HydrophobicContact CD2-CG 3.8Å; L56-F78 HydrophobicContact CD2-CZ 3.8Å; V66-F78 WeakPolarHBondContact CA-O 3.38Å; F67-F78 HydrophobicContact CD2-CB 4.16Å; F67-F78 HydrophobicContact CD2-CD2 4.16Å; F67-F78 HydrophobicContact CE1-CB 4.26Å; F67-F78 HydrophobicContact CE2-CB 3.7Å; F67-F78 AromaticContact CE2-CD2 3.62Å; F67-F78 HydrophobicContact CE2-CD2 3.62Å; F67-F78 AromaticContact CE2-CG 3.9Å; F67-F78 HydrophobicContact CE2-CG 3.9Å; F67-F78 HydrophobicContact CZ-CB 3.75Å; F67-F78 HydrophobicContact CZ-CD2 4.37Å; F67-F78 HydrophobicContact CZ-CG 4.21Å; F67-F78 PolarHBondContact N-O 3.4Å; F67-F78 PolarHBondContact O-N 3.33Å; C69-F78 HydrophobicContact CB-CE2 4.17Å; L71-F78 HydrophobicContact CD1-CE2 3.88Å; L71-F78 HydrophobicContact CD1-CZ 3.87Å; V76-F78 HydrophobicContact CB-CE2 4.11Å; V76-F78 HydrophobicContact CG1-CD2 4.14Å; V76-F78 HydrophobicContact CG1-CE1 4.29Å; V76-F78 HydrophobicContact CG1-CE2 3.7Å; V76-F78 HydrophobicContact CG1-CZ 3.78Å; F78-T80 HydrophobicContact CB-CG2 4.29Å; F78-L361 HydrophobicContact CE1-CD2 3.86Å; F78-L361 HydrophobicContact CZ-CD2 4.5Å; F78-A388 WeakPolarHBondContact CA-O 3.2Å; F78-A388 HydrophobicContact CD1-CB 4.12Å; F78-A388 HydrophobicContact CE1-CB 4.07Å
79I98.7Very high95.9Very high2 Ų222.8 Ų22.81%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-107.4114.2170-66.871.3000106.2H77 Y85 V88 L372 L374 I387 A388 L389H77-I79 HydrophobicContact CB-CD1 4.3Å; H77-I79 WeakPolarHBondContact O-CD1 3.44Å; I79-Y85 WeakPolarHBondContact O-CE1 3.41Å; I79-V88 HydrophobicContact CB-CG2 4.47Å; I79-V88 HydrophobicContact CG1-CG2 4.17Å; I79-V88 HydrophobicContact CG2-CG2 4.49Å; I79-L372 HydrophobicContact CD1-CD2 4.32Å; I79-L372 HydrophobicContact CG1-CD2 4.44Å; I79-L374 HydrophobicContact CG1-CD1 3.69Å; I79-L374 HydrophobicContact CG2-CD1 4.19Å; I79-I387 HydrophobicContact CD1-CG2 3.54Å; I79-A388 PolarHBondContact N-O 3.38Å; I79-L389 HydrophobicContact CB-CD2 3.72Å; I79-L389 HydrophobicContact CG2-CD2 4.11Å; I79-L389 WeakPolarHBondContact O-CD2 3.39Å
80T98.6Very high95.8Very high4 Ų425.3 Ų25.33%0.02513%0.132CC..  trans-111.4-14.4-170.565.20000113.9H65 F67 F78 P82 L393H65-T80 WeakPolarHBondContact CA-OG1 3.34Å; H65-T80 PolarHBondContact ND1-OG1 3.17Å; H65-T80 PolarHBondContact O-N 2.6Å; H65-T80 PolarHBondContact O-OG1 3.01Å; F67-T80 HydrophobicContact CE1-CG2 3.81Å; F67-T80 HydrophobicContact CZ-CG2 4.17Å; F78-T80 HydrophobicContact CB-CG2 4.29Å; T80-P82 VanDerWaalsContact O-CD 3.25Å; T80-P82 WeakPolarHBondContact O-CD 3.19Å; T80-L393 HydrophobicContact CG2-CD1 3.56Å
81N98.4Very high95.5Very high10 Ų1032 Ų325%0.05316%0.163CC..  trans-72.4115.8174.1-177.8-8.4000110.2H65 L83 S84 Y85 D376H65-N81 HydrophobicContact CB-CB 3.79Å; N81-L83 PolarHBondContact O-N 3.46Å; N81-L83 VanDerWaalsContact OD1-CB 3.31Å; N81-L83 WeakPolarHBondContact OD1-CB 3.49Å; N81-L83 PolarHBondContact OD1-N 3.29Å; N81-S84 WeakPolarHBondContact O-CB 3.26Å; N81-S84 PolarHBondContact O-N 3.36Å; N81-Y85 WeakPolarHBondContact O-CD1 2.89Å; N81-D376 WeakPolarHBondContact CB-OD2 3.28Å; N81-D376 PolarHBondContact ND2-OD1 2.76Å; N81-D376 PolarHBondContact ND2-OD2 2.87Å
82P98.1Very high95.4Very high9 Ų932.2 Ų32.26%0.05817%0.171CC..G310 helixtrans-58.1-32178.8-25.337.2000113.4T80 S84 Y85 M394 I400 L430T80-P82 VanDerWaalsContact O-CD 3.25Å; T80-P82 WeakPolarHBondContact O-CD 3.19Å; P82-S84 PolarHBondContact O-N 2.98Å; P82-Y85 WeakPolarHBondContact O-CB 3.29Å; P82-Y85 PolarHBondContact O-N 3.4Å; P82-M394 HydrophobicContact CB-CG 3.95Å; P82-M394 HydrophobicContact CB-SD 4.23Å; P82-M394 HydrophobicContact CG-CB 4.1Å; P82-M394 HydrophobicContact CG-CG 3.94Å; P82-I400 HydrophobicContact CB-CD1 4.08Å; P82-I400 HydrophobicContact CG-CD1 3.87Å; P82-L430 HydrophobicContact CB-CD2 4.15Å
83L98.3Very high95.9Very high32 Ų3236.7 Ų36.717%0.16819%0.189CC..G310 helixtrans-67.6-19.8176.4-59.1173.3000112.4N81 H86 E375 C425 L428 L430N81-L83 PolarHBondContact O-N 3.46Å; N81-L83 VanDerWaalsContact OD1-CB 3.31Å; N81-L83 WeakPolarHBondContact OD1-CB 3.49Å; N81-L83 PolarHBondContact OD1-N 3.29Å; L83-H86 PolarHBondContact O-CD2 2.93Å; L83-H86 PolarHBondContact O-NE2 3.47Å; L83-E375 HydrophobicContact CB-CG 4.21Å; L83-E375 WeakPolarHBondContact O-CG 3.5Å; L83-C425 HydrophobicContact CD2-CB 4.22Å; L83-L428 HydrophobicContact CD1-CD1 4.05Å; L83-L428 HydrophobicContact CD2-CB 3.97Å; L83-L428 HydrophobicContact CD2-CD1 4.16Å; L83-L430 HydrophobicContact CD2-CD2 3.88Å
84S98.3Very high96.4Very high0 Ų038.4 Ų38.40%019%0.186CC..G310 helixtrans-92.2-9.5176.9-73.40000114N81 P82 H86 K87 E375N81-S84 WeakPolarHBondContact O-CB 3.26Å; N81-S84 PolarHBondContact O-N 3.36Å; P82-S84 PolarHBondContact O-N 2.98Å; S84-H86 PolarHBondContact O-N 3.29Å; S84-H86 VanDerWaalsContact O-N 3.16Å; S84-K87 WeakPolarHBondContact O-CB 3.27Å; S84-K87 PolarHBondContact O-N 3.4Å; S84-K87 VanDerWaalsContact O-N 3.08Å; S84-E375 WeakPolarHBondContact OG-CB 3.45Å; S84-E375 PolarHBondContact OG-N 2.98Å; S84-E375 VanDerWaalsContact OG-N 3.08Å
85Y98.4Very high96.7Very high0 Ų034.4 Ų34.40%017%0.169CC..Hα-helixtrans-58.7-35.1-174.1-79.515.4000112.7I79 N81 P82 K87 V88 L89 L389 P391 M394 M435I79-Y85 WeakPolarHBondContact O-CE1 3.41Å; N81-Y85 WeakPolarHBondContact O-CD1 2.89Å; P82-Y85 WeakPolarHBondContact O-CB 3.29Å; P82-Y85 PolarHBondContact O-N 3.4Å; Y85-K87 PolarHBondContact O-N 3.47Å; Y85-V88 PolarHBondContact O-N 3.02Å; Y85-V88 VanDerWaalsContact O-N 3.13Å; Y85-L89 WeakPolarHBondContact O-CB 3.22Å; Y85-L89 VanDerWaalsContact O-CG 3.3Å; Y85-L89 WeakPolarHBondContact O-CG 3.28Å; Y85-L89 PolarHBondContact O-N 3.46Å; Y85-L389 HydrophobicContact CD1-CD1 4.11Å; Y85-L389 HydrophobicContact CD1-CD2 3.82Å; Y85-L389 HydrophobicContact CD1-CG 4.49Å; Y85-L389 HydrophobicContact CD2-CD1 4.06Å; Y85-L389 HydrophobicContact CE1-CB 4.47Å; Y85-L389 HydrophobicContact CE1-CD1 4.47Å; Y85-L389 HydrophobicContact CE1-CD2 3.88Å; Y85-L389 HydrophobicContact CE2-CD1 4.42Å; Y85-L389 HydrophobicContact CG-CD1 3.88Å; Y85-L389 HydrophobicContact CG-CD2 4.43Å; Y85-P391 HydrophobicContact CE2-CB 4.43Å; Y85-M394 HydrophobicContact CD2-SD 4.04Å; Y85-M394 HydrophobicContact CE2-CB 4.17Å; Y85-M394 HydrophobicContact CE2-CE 4.42Å; Y85-M394 HydrophobicContact CE2-SD 3.8Å; Y85-M435 HydrophobicContact CD2-CE 4.42Å; Y85-M435 HydrophobicContact CD2-SD 3.62Å; Y85-M435 HydrophobicContact CE2-SD 3.95Å
86H97.4Very high96.7Very high71 Ų7133.9 Ų33.933%0.32917%0.168SC..Hα-helixtrans-64.8-25-179.176.998.1000113.9L83 S84 V88 C90 E375 Y432L83-H86 PolarHBondContact O-CD2 2.93Å; L83-H86 PolarHBondContact O-NE2 3.47Å; S84-H86 PolarHBondContact O-N 3.29Å; S84-H86 VanDerWaalsContact O-N 3.16Å; H86-V88 VanDerWaalsContact C-N 3.32Å; H86-C90 WeakPolarHBondContact O-CB 3.41Å; H86-C90 PolarHBondContact O-N 3.01Å; H86-E375 IonicContact NE2-OE1 3.46Å; H86-E375 PolarHBondContact NE2-OE1 3.44Å; H86-Y432 HydrophobicContact CB-CD2 4.05Å; H86-Y432 HydrophobicContact CB-CE2 3.54Å
87K97.4Very high96.6Very high76 Ų7636.2 Ų36.233%0.3318%0.176SC..Hα-helixtrans-73.7-25.1177.1-55.5-73-170.7178.90112.2S84 Y85 C90 L374 E375S84-K87 WeakPolarHBondContact O-CB 3.27Å; S84-K87 PolarHBondContact O-N 3.4Å; S84-K87 VanDerWaalsContact O-N 3.08Å; Y85-K87 PolarHBondContact O-N 3.47Å; K87-C90 PolarHBondContact O-SG 2.7Å; K87-L374 HydrophobicContact CB-CD2 3.81Å; K87-L374 HydrophobicContact CG-CD2 4.31Å; K87-E375 WeakPolarHBondContact CE-OE1 3.31Å; K87-E375 IonicContact NZ-OE1 3.5Å
88V96.8Very high96.5Very high0 Ų038.6 Ų38.60%019%0.186CC..Hα-helixtrans-94.9-37.2179-179.60000111.4I79 Y85 H86 C90 R364 L374 I387 L389I79-V88 HydrophobicContact CB-CG2 4.47Å; I79-V88 HydrophobicContact CG1-CG2 4.17Å; I79-V88 HydrophobicContact CG2-CG2 4.49Å; Y85-V88 PolarHBondContact O-N 3.02Å; Y85-V88 VanDerWaalsContact O-N 3.13Å; H86-V88 VanDerWaalsContact C-N 3.32Å; V88-C90 VanDerWaalsContact C-N 3.3Å; V88-C90 PolarHBondContact O-N 2.93Å; V88-R364 PolarHBondContact O-NH1 3Å; V88-L374 HydrophobicContact CG2-CD2 4.31Å; V88-I387 HydrophobicContact CG1-CG2 3.73Å; V88-I387 HydrophobicContact CG2-CG2 4.2Å; V88-L389 HydrophobicContact CB-CD2 4.34Å; V88-L389 HydrophobicContact CG1-CD2 4.31Å; V88-L389 HydrophobicContact CG1-CG 4.41Å; V88-L389 HydrophobicContact CG2-CD2 4.38Å
89L96.9Very high96.4Very high1 Ų142.8 Ų42.81%0.00520%0.204CC..Hα-helixtrans-75.6-16.9-176.8-68.7169.2000113.6Y85 R364 L389 Y432 M435Y85-L89 WeakPolarHBondContact O-CB 3.22Å; Y85-L89 VanDerWaalsContact O-CG 3.3Å; Y85-L89 WeakPolarHBondContact O-CG 3.28Å; Y85-L89 PolarHBondContact O-N 3.46Å; L89-R364 PolarHBondContact O-NH2 3.21Å; L89-R364 VanDerWaalsContact O-NH2 3.11Å; L89-L389 HydrophobicContact CD1-CD1 4.25Å; L89-L389 HydrophobicContact CD2-CD1 3.95Å; L89-L389 HydrophobicContact CG-CD1 3.91Å; L89-Y432 HydrophobicContact CB-CE2 4.46Å; L89-Y432 HydrophobicContact CD1-CD1 3.77Å; L89-Y432 HydrophobicContact CD1-CD2 3.77Å; L89-Y432 HydrophobicContact CD1-CE1 3.98Å; L89-Y432 HydrophobicContact CD1-CE2 3.99Å; L89-Y432 HydrophobicContact CD1-CG 3.66Å; L89-M435 HydrophobicContact CD1-CE 3.6Å; L89-M435 HydrophobicContact CD1-SD 4.23Å; L89-M435 HydrophobicContact CD2-CE 3.92Å; L89-M435 HydrophobicContact CG-CE 4.35Å
90C93.9Very high96.2Very high53 Ų5345.6 Ų45.636%0.35822%0.216SC..SBendtrans-63.7166.9177.771.70000112.8H86 K87 V88 G92 R364H86-C90 WeakPolarHBondContact O-CB 3.41Å; H86-C90 PolarHBondContact O-N 3.01Å; K87-C90 PolarHBondContact O-SG 2.7Å; V88-C90 VanDerWaalsContact C-N 3.3Å; V88-C90 PolarHBondContact O-N 2.93Å; C90-G92 PolarHBondContact O-N 3.09Å; C90-R364 PolarHBondContact O-NH1 2.69Å
91H89.6Confident96.2Very high154 Ų15449.1 Ų49.171%0.71323%0.233SC*.  trans-76.4112165-74-92.4000108.3
92G89.2Confident96.1Very high28 Ų2849.5 Ų49.529%0.28923%0.234SC..  trans-120.7138.9178.800000110.9C90 Y94 F95C90-G92 PolarHBondContact O-N 3.09Å; G92-Y94 PolarHBondContact O-N 2.9Å; G92-F95 PolarHBondContact O-N 2.73Å; G92-F95 VanDerWaalsContact O-N 3.13Å
93K94.3Very high96.1Very high152 Ų15251.9 Ų51.966%0.66125%0.254SS*.THydrogen-bonded Turntrans-55-37.2179.256.6176.6170.5160.10112.7F95 K367K93-F95 PolarHBondContact O-N 3.49Å; K93-K367 WeakPolarHBondContact O-CD 3.46Å; K93-K367 PolarHBondContact O-NZ 3.42Å
94Y96.6Very high95.9Very high68 Ų6851.7 Ų51.727%0.26726%0.255SS..THydrogen-bonded Turntrans-82.3-6-177.4-56.7-59.6000115.1G92 K367 E368 F370G92-Y94 PolarHBondContact O-N 2.9Å; Y94-K367 PolarHBondContact O-N 3.41Å; Y94-E368 HydrophobicContact CD1-CG 3.62Å; Y94-E368 HydrophobicContact CE1-CG 3.96Å; Y94-F370 HydrophobicContact CD1-CB 4.03Å; Y94-F370 HydrophobicContact CD1-CG 4.32Å; Y94-F370 HydrophobicContact CD2-CB 3.82Å; Y94-F370 AromaticContact CD2-CD2 3.51Å; Y94-F370 HydrophobicContact CD2-CD2 3.51Å; Y94-F370 HydrophobicContact CD2-CE2 4.29Å; Y94-F370 AromaticContact CD2-CG 3.7Å; Y94-F370 HydrophobicContact CD2-CG 3.7Å; Y94-F370 HydrophobicContact CE1-CB 4.17Å; Y94-F370 HydrophobicContact CE2-CB 3.95Å; Y94-F370 HydrophobicContact CE2-CD2 4.16Å; Y94-F370 HydrophobicContact CE2-CG 4.31Å; Y94-F370 HydrophobicContact CG-CB 3.85Å; Y94-F370 HydrophobicContact CG-CD1 4.19Å; Y94-F370 AromaticContact CG-CD2 3.93Å; Y94-F370 HydrophobicContact CG-CD2 3.93Å; Y94-F370 AromaticContact CG-CG 3.7Å; Y94-F370 HydrophobicContact CG-CG 3.7Å
95F97.5Very high95.9Very high13 Ų1352.4 Ų52.46%0.05726%0.26CS..EExtended strand (participates in β ladder)trans-98126.1-177-58.8-34.6000111.9G92 K93 R364 K367 F370 L372 I387G92-F95 PolarHBondContact O-N 2.73Å; G92-F95 VanDerWaalsContact O-N 3.13Å; K93-F95 PolarHBondContact O-N 3.49Å; F95-R364 HydrophobicContact CB-CB 4.39Å; F95-R364 HydrophobicContact CB-CG 4.47Å; F95-R364 HydrophobicContact CD1-CB 4.49Å; F95-K367 WeakPolarHBondContact O-CE 3.34Å; F95-K367 PolarHBondContact O-NZ 2.95Å; F95-F370 HydrophobicContact CD1-CZ 4.4Å; F95-F370 HydrophobicContact CE1-CE1 4.46Å; F95-F370 HydrophobicContact CE1-CE2 4.13Å; F95-F370 AromaticContact CE1-CZ 3.63Å; F95-F370 HydrophobicContact CE1-CZ 3.63Å; F95-F370 HydrophobicContact CZ-CZ 4.45Å; F95-L372 HydrophobicContact CE1-CD1 4.41Å; F95-L372 HydrophobicContact CZ-CD1 3.89Å; F95-I387 HydrophobicContact CD1-CD1 3.96Å; F95-I387 HydrophobicContact CE1-CD1 3.49Å; F95-I387 VanDerWaalsContact CE1-CD1 3.49Å
96D97.3Very high95.9Very high23 Ų2353.4 Ų53.412%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-103.4121161.6-164.9-45.1000109.4K98 K99 R364 T365 K367D96-K98 PolarHBondContact OD1-N 3.48Å; D96-K99 HydrophobicContact CB-CB 4.47Å; D96-K99 PolarHBondContact OD1-N 3Å; D96-R364 CarbonylContact O-C 3.57Å; D96-R364 WeakPolarHBondContact O-CA 3.38Å; D96-T365 PolarHBondContact N-O 3.34Å; D96-T365 PolarHBondContact O-N 3.4Å; D96-K367 HydrophobicContact CB-CG 3.95Å
97W96.3Very high95.9Very high63 Ų6356.1 Ų56.124%0.23928%0.279CS..SBendtrans-1072.7-178.255.9-93.2000113.4H101 N126 R364 A441 T442W97-H101 PolarHBondContact O-ND1 3.33Å; W97-H101 VanDerWaalsContact O-ND1 3.11Å; W97-N126 HydrophobicContact CH2-CB 4.14Å; W97-R364 VanDerWaalsContact CB-CD 3.43Å; W97-A441 HydrophobicContact CD2-CB 3.96Å; W97-A441 HydrophobicContact CG-CB 4.09Å; W97-A441 HydrophobicContact CZ2-CB 4.23Å; W97-T442 HydrophobicContact CB-CG2 3.64Å; W97-T442 HydrophobicContact CG-CG2 4.49Å
98K96.5Very high95.9Very high49 Ų4952.6 Ų52.621%0.21326%0.263CS..SBendtrans-110.1-40.8-176.5-67.2-176.2172.8-169.80112.1D96 F100 H101 F102 N124D96-K98 PolarHBondContact OD1-N 3.48Å; K98-F100 PolarHBondContact O-N 2.82Å; K98-H101 PolarHBondContact O-N 3.31Å; K98-F102 HydrophobicContact CB-CD2 4.08Å; K98-F102 HydrophobicContact CB-CE1 4.26Å; K98-F102 HydrophobicContact CB-CE2 3.77Å; K98-F102 HydrophobicContact CB-CZ 3.9Å; K98-F102 HydrophobicContact CD-CE2 4.02Å; K98-F102 HydrophobicContact CD-CZ 3.76Å; K98-F102 HydrophobicContact CG-CE2 4.4Å; K98-F102 HydrophobicContact CG-CZ 4.13Å; K98-F102 WeakPolarHBondContact O-CG 3.18Å; K98-F102 PolarHBondContact O-N 3.09Å; K98-N124 PolarHBondContact NZ-OD1 3.05Å
99K95.4Very high96Very high91 Ų9152.9 Ų52.940%0.39627%0.265SS..Hα-helixtrans-47.9-51.2-172.5-176.4176.9-178.9177.40113.4D96 A103 T365 D384D96-K99 HydrophobicContact CB-CB 4.47Å; D96-K99 PolarHBondContact OD1-N 3Å; K99-A103 WeakPolarHBondContact O-CB 3.37Å; K99-A103 PolarHBondContact O-N 3.37Å; K99-A103 VanDerWaalsContact O-N 3.16Å; K99-T365 HydrophobicContact CD-CG2 4.42Å; K99-D384 IonicContact NZ-OD1 2.65Å; K99-D384 PolarHBondContact NZ-OD1 3.23Å
100F95.6Very high96Very high60 Ų6054.7 Ų54.726%0.26328%0.284SS..Hα-helixtrans-64.5-43.3179.5-177.9-94.2000112.5K98 T104 I363 I386K98-F100 PolarHBondContact O-N 2.82Å; F100-T104 WeakPolarHBondContact O-CB 3.23Å; F100-T104 PolarHBondContact O-N 3.49Å; F100-T104 PolarHBondContact O-OG1 3.06Å; F100-I363 HydrophobicContact CB-CG2 3.95Å; F100-I363 HydrophobicContact CD1-CB 4.44Å; F100-I363 HydrophobicContact CD1-CD1 4.02Å; F100-I363 HydrophobicContact CD1-CG2 3.84Å; F100-I363 HydrophobicContact CE1-CD1 3.64Å; F100-I363 HydrophobicContact CG-CG2 3.84Å; F100-I363 HydrophobicContact CZ-CD1 4.03Å; F100-I386 HydrophobicContact CD2-CD1 4.12Å
101H96.9Very high96.2Very high79 Ų7952.7 Ų52.737%0.36627%0.269SS..Hα-helixtrans-68-41.4-179.1-61149.8000112.1W97 K98 T104 S105W97-H101 PolarHBondContact O-ND1 3.33Å; W97-H101 VanDerWaalsContact O-ND1 3.11Å; K98-H101 PolarHBondContact O-N 3.31Å; H101-T104 PolarHBondContact O-N 2.97Å; H101-S105 WeakPolarHBondContact O-CB 3.46Å; H101-S105 PolarHBondContact O-N 3.4Å
102F98.1Very high96.6Very high17 Ų1750.2 Ų50.28%0.07525%0.254CS..Hα-helixtrans-62.1-47176.4-69.2-9.6000111.9K98 T104 S105 A106 I114 D115 I125K98-F102 HydrophobicContact CB-CD2 4.08Å; K98-F102 HydrophobicContact CB-CE1 4.26Å; K98-F102 HydrophobicContact CB-CE2 3.77Å; K98-F102 HydrophobicContact CB-CZ 3.9Å; K98-F102 HydrophobicContact CD-CE2 4.02Å; K98-F102 HydrophobicContact CD-CZ 3.76Å; K98-F102 HydrophobicContact CG-CE2 4.4Å; K98-F102 HydrophobicContact CG-CZ 4.13Å; K98-F102 WeakPolarHBondContact O-CG 3.18Å; K98-F102 PolarHBondContact O-N 3.09Å; F102-T104 VanDerWaalsContact C-N 3.32Å; F102-T104 PolarHBondContact O-N 2.92Å; F102-S105 PolarHBondContact O-N 3.35Å; F102-A106 WeakPolarHBondContact O-CB 3.27Å; F102-A106 PolarHBondContact O-N 3.45Å; F102-I114 HydrophobicContact CB-CG1 4.08Å; F102-I114 HydrophobicContact CD1-CD1 3.74Å; F102-I114 HydrophobicContact CD1-CG1 3.78Å; F102-I114 HydrophobicContact CE1-CD1 4.14Å; F102-I114 HydrophobicContact CE1-CG1 4.3Å; F102-I114 HydrophobicContact CG-CD1 4.36Å; F102-I114 HydrophobicContact CG-CG1 3.9Å; F102-D115 HydrophobicContact CD2-CB 3.71Å; F102-D115 HydrophobicContact CE2-CB 4.25Å; F102-I125 HydrophobicContact CD1-CD1 4.38Å; F102-I125 HydrophobicContact CE1-CD1 3.52Å; F102-I125 HydrophobicContact CE1-CG1 4.14Å; F102-I125 HydrophobicContact CZ-CD1 4.23Å; F102-I125 HydrophobicContact CZ-CG1 4.4Å
103A96.6Very high97.1Very high59 Ų5950.3 Ų50.349%0.48825%0.25SC..Hα-helixtrans-63.2-38.7176.800000112.4K99 K107K99-A103 WeakPolarHBondContact O-CB 3.37Å; K99-A103 PolarHBondContact O-N 3.37Å; K99-A103 VanDerWaalsContact O-N 3.16Å; A103-K107 WeakPolarHBondContact O-CB 3.28Å; A103-K107 PolarHBondContact O-N 2.96Å; A103-K107 VanDerWaalsContact O-N 3.09Å
104T95.6Very high97.3Very high29 Ų2943.9 Ų43.918%0.17822%0.222CC..Hα-helixtrans-66.1-43.5177.2-58.20000111.3F100 H101 F102 K107 A108 V220F100-T104 WeakPolarHBondContact O-CB 3.23Å; F100-T104 PolarHBondContact O-N 3.49Å; F100-T104 PolarHBondContact O-OG1 3.06Å; H101-T104 PolarHBondContact O-N 2.97Å; F102-T104 VanDerWaalsContact C-N 3.32Å; F102-T104 PolarHBondContact O-N 2.92Å; T104-K107 PolarHBondContact O-N 2.98Å; T104-A108 WeakPolarHBondContact O-CB 3.43Å; T104-A108 PolarHBondContact O-N 3.05Å; T104-V220 HydrophobicContact CG2-CB 4.44Å; T104-V220 HydrophobicContact CG2-CG1 4.14Å; T104-V220 HydrophobicContact CG2-CG2 3.85Å
105S98.3Very high97.3Very high15 Ų1541.8 Ų41.811%0.10522%0.216CC..Hα-helixtrans-60.2-53.1176.2-170.70000111.4H101 F102 K107 A108 F109 H111 V281H101-S105 WeakPolarHBondContact O-CB 3.46Å; H101-S105 PolarHBondContact O-N 3.4Å; F102-S105 PolarHBondContact O-N 3.35Å; S105-K107 VanDerWaalsContact C-N 3.26Å; S105-K107 PolarHBondContact O-N 3.47Å; S105-A108 PolarHBondContact O-N 3.29Å; S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 WeakPolarHBondContact O-CD2 3.45Å; S105-F109 PolarHBondContact O-N 2.94Å; S105-H111 PolarHBondContact O-NE2 3.32Å; S105-H111 PolarHBondContact OG-NE2 3.48Å; S105-V281 WeakPolarHBondContact OG-CG2 3.47Å
106A97.9Very high97.3Very high21 Ų2144 Ų4417%0.17423%0.231CC..Iπ-helixtrans-54.6-44.8179.400000111.6F102 G110 H111F102-A106 WeakPolarHBondContact O-CB 3.27Å; F102-A106 PolarHBondContact O-N 3.45Å; A106-G110 VanDerWaalsContact O-CA 3.32Å; A106-G110 WeakPolarHBondContact O-CA 3.38Å; A106-G110 PolarHBondContact O-N 3.01Å; A106-H111 WeakPolarHBondContact CA-O 3.23Å; A106-H111 VanDerWaalsContact CB-O 3.31Å; A106-H111 WeakPolarHBondContact CB-O 3.47Å; A106-H111 PolarHBondContact N-CE1 3.28Å; A106-H111 PolarHBondContact N-NE2 3.48Å; A106-H111 PolarHBondContact O-N 3.46Å
107K96.6Very high97.2Very high128 Ų12850.5 Ų50.556%0.55726%0.258SS*.Iπ-helixtrans-67.1-49.5-180-169.8-176-60.7-179.60113.2A103 T104 S105A103-K107 WeakPolarHBondContact O-CB 3.28Å; A103-K107 PolarHBondContact O-N 2.96Å; A103-K107 VanDerWaalsContact O-N 3.09Å; T104-K107 PolarHBondContact O-N 2.98Å; S105-K107 VanDerWaalsContact C-N 3.26Å; S105-K107 PolarHBondContact O-N 3.47Å
108A97.4Very high97.3Very high1 Ų152.2 Ų52.21%0.00827%0.272CS..Iπ-helixtrans-71.4-43.2-173.900000112T104 S105 F216 L219 R235T104-A108 WeakPolarHBondContact O-CB 3.43Å; T104-A108 PolarHBondContact O-N 3.05Å; S105-A108 PolarHBondContact O-N 3.29Å; A108-F216 HydrophobicContact CB-CE2 3.81Å; A108-F216 HydrophobicContact CB-CZ 4.1Å; A108-L219 HydrophobicContact CB-CB 4.11Å; A108-L219 HydrophobicContact CB-CD1 4.43Å; A108-R235 PolarHBondContact O-NH1 2.85Å
109F98.4Very high97.3Very high6 Ų652.6 Ų52.63%0.02629%0.291CS..Iπ-helixtrans-91.3-21.5-173.7-64.3-85.7000113.3S105 F212 F216 R235 K277 L280 V281 W284S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 WeakPolarHBondContact O-CD2 3.45Å; S105-F109 PolarHBondContact O-N 2.94Å; F109-F212 AromaticContact CD1-CE1 3.98Å; F109-F212 HydrophobicContact CD1-CE1 3.98Å; F109-F212 AromaticContact CD1-CZ 3.8Å; F109-F212 HydrophobicContact CD1-CZ 3.8Å; F109-F212 AromaticContact CE1-CE1 3.58Å; F109-F212 HydrophobicContact CE1-CE1 3.58Å; F109-F212 AromaticContact CE1-CZ 3.76Å; F109-F212 HydrophobicContact CE1-CZ 3.76Å; F109-F212 HydrophobicContact CZ-CE1 4.37Å; F109-F212 HydrophobicContact CZ-CZ 4.45Å; F109-F216 HydrophobicContact CE1-CE2 4.28Å; F109-F216 AromaticContact CE2-CE2 3.7Å; F109-F216 HydrophobicContact CE2-CE2 3.7Å; F109-F216 AromaticContact CE2-CZ 3.86Å; F109-F216 HydrophobicContact CE2-CZ 3.86Å; F109-F216 AromaticContact CZ-CE2 3.52Å; F109-F216 HydrophobicContact CZ-CE2 3.52Å; F109-F216 AromaticContact CZ-CZ 3.97Å; F109-F216 HydrophobicContact CZ-CZ 3.97Å; F109-R235 PolarHBondContact O-NH1 3.45Å; F109-K277 VanDerWaalsContact O-CD 3.29Å; F109-K277 WeakPolarHBondContact O-CD 3.08Å; F109-L280 HydrophobicContact CD1-CB 4.48Å; F109-L280 HydrophobicContact CD1-CD2 4.22Å; F109-L280 HydrophobicContact CD1-CG 3.9Å; F109-L280 HydrophobicContact CE1-CG 4.18Å; F109-V281 HydrophobicContact CB-CG2 3.87Å; F109-V281 HydrophobicContact CD1-CG2 3.92Å; F109-V281 HydrophobicContact CD2-CB 4.47Å; F109-V281 HydrophobicContact CD2-CG2 3.54Å; F109-V281 HydrophobicContact CE1-CG2 4.32Å; F109-V281 HydrophobicContact CE2-CB 4.48Å; F109-V281 HydrophobicContact CE2-CG1 4.45Å; F109-V281 HydrophobicContact CE2-CG2 4Å; F109-V281 HydrophobicContact CG-CG2 3.49Å; F109-V281 VanDerWaalsContact CG-CG2 3.49Å; F109-V281 HydrophobicContact CZ-CG2 4.37Å; F109-W284 HydrophobicContact CE1-CB 3.66Å; F109-W284 HydrophobicContact CE1-CG 4.11Å; F109-W284 HydrophobicContact CZ-CB 3.58Å; F109-W284 HydrophobicContact CZ-CD2 4.08Å; F109-W284 HydrophobicContact CZ-CE3 4.37Å; F109-W284 AromaticContact CZ-CG 3.72Å; F109-W284 HydrophobicContact CZ-CG 3.72Å
110G97.8Very high97.4Very high39 Ų3949.4 Ų49.440%0.40228%0.278SS..Iπ-helixtrans79.747.9176.600000113.1A106A106-G110 VanDerWaalsContact O-CA 3.32Å; A106-G110 WeakPolarHBondContact O-CA 3.38Å; A106-G110 PolarHBondContact O-N 3.01Å
111H98.5Very high97.6Very high11 Ų1146.8 Ų46.85%0.05127%0.266CS..  trans-119.4156.1169.962.777.5000109.6S105 A106 K277S105-H111 PolarHBondContact O-NE2 3.32Å; S105-H111 PolarHBondContact OG-NE2 3.48Å; A106-H111 WeakPolarHBondContact CA-O 3.23Å; A106-H111 VanDerWaalsContact CB-O 3.31Å; A106-H111 WeakPolarHBondContact CB-O 3.47Å; A106-H111 PolarHBondContact N-CE1 3.28Å; A106-H111 PolarHBondContact N-NE2 3.48Å; A106-H111 PolarHBondContact O-N 3.46Å; H111-K277 HydrophobicContact CB-CB 4.04Å
112R98.4Very high97.6Very high103 Ų10347.9 Ų47.939%0.38928%0.279SS..  trans-61.7166.8170.8-76.9178.5-66.3155-11.5112I114 N120 T269 F270 E274R112-I114 PolarHBondContact O-N 2.99Å; R112-N120 PolarHBondContact NH1-OD1 3.14Å; R112-T269 PolarHBondContact NH2-O 2.81Å; R112-F270 HydrophobicContact CB-CE1 4.07Å; R112-E274 WeakPolarHBondContact CB-OE1 3.19Å; R112-E274 WeakPolarHBondContact CG-OE1 3.46Å; R112-E274 IonicContact CZ-OE1 3.22Å; R112-E274 IonicContact CZ-OE2 3.29Å; R112-E274 VanDerWaalsContact CZ-OE2 3.32Å; R112-E274 PolarHBondContact N-OE1 2.72Å; R112-E274 IonicContact NE-OE1 3.9Å; R112-E274 PolarHBondContact NE-OE1 3.44Å; R112-E274 IonicContact NE-OE2 3.81Å; R112-E274 PolarHBondContact NE-OE2 2.82Å; R112-E274 VanDerWaalsContact NE-OE2 3.12Å; R112-E274 IonicContact NH2-OE1 2.76Å; R112-E274 IonicContact NH2-OE2 3.67Å; R112-E274 PolarHBondContact NH2-OE2 3.43Å
113S98.4Very high97.6Very high30 Ų3047.6 Ų47.621%0.2128%0.278CS..  trans-56133.2-176-173.70000112.5D115 D118 N120S113-D115 PolarHBondContact OG-N 3.27Å; S113-D118 WeakPolarHBondContact CB-OD2 3.19Å; S113-D118 PolarHBondContact OG-OD2 3Å; S113-N120 WeakPolarHBondContact O-CB 3.48Å; S113-N120 PolarHBondContact O-ND2 3.21Å
114I98.2Very high97.7Very high16 Ų1648.5 Ų48.58%0.08227%0.274CS..  trans-96.78172.259174.9000111.8F102 R112 P116 I125 F270F102-I114 HydrophobicContact CB-CG1 4.08Å; F102-I114 HydrophobicContact CD1-CD1 3.74Å; F102-I114 HydrophobicContact CD1-CG1 3.78Å; F102-I114 HydrophobicContact CE1-CD1 4.14Å; F102-I114 HydrophobicContact CE1-CG1 4.3Å; F102-I114 HydrophobicContact CG-CD1 4.36Å; F102-I114 HydrophobicContact CG-CG1 3.9Å; R112-I114 PolarHBondContact O-N 2.99Å; I114-P116 WeakPolarHBondContact O-CD 3.34Å; I114-I125 HydrophobicContact CD1-CD1 4.07Å; I114-F270 HydrophobicContact CG2-CE2 4.13Å; I114-F270 HydrophobicContact CG2-CZ 3.75Å
115D97.9Very high97.7Very high24 Ų2448.6 Ų48.613%0.12827%0.274CS..  trans-71.6121.9169-164.7-33000108.8F102 S113 K117 D118F102-D115 HydrophobicContact CD2-CB 3.71Å; F102-D115 HydrophobicContact CE2-CB 4.25Å; S113-D115 PolarHBondContact OG-N 3.27Å; D115-K117 PolarHBondContact O-N 3.08Å; D115-K117 WeakPolarHBondContact OD1-CB 3.23Å; D115-K117 WeakPolarHBondContact OD1-CG 3.43Å; D115-K117 PolarHBondContact OD1-N 2.93Å; D115-D118 PolarHBondContact O-N 3.06Å
116P97.1Very high97.6Very high59 Ų5950.1 Ų50.138%0.38328%0.281SS..G310 helixtrans-57.9-21.4178.2-27.136.7000114.4I114 D118 G119 T121I114-P116 WeakPolarHBondContact O-CD 3.34Å; P116-D118 PolarHBondContact O-N 3.28Å; P116-G119 PolarHBondContact O-N 2.83Å; P116-T121 VanDerWaalsContact CA-O 3.27Å; P116-T121 WeakPolarHBondContact CA-O 3.14Å
117K96.1Very high97.6Very high160 Ų16052.5 Ų52.570%0.69629%0.291SS*.G310 helixtrans-65.1-24.5174.7-65.2172.7-176.3168.40113.4D115 G119D115-K117 PolarHBondContact O-N 3.08Å; D115-K117 WeakPolarHBondContact OD1-CB 3.23Å; D115-K117 WeakPolarHBondContact OD1-CG 3.43Å; D115-K117 PolarHBondContact OD1-N 2.93Å; K117-G119 VanDerWaalsContact C-N 3.34Å
118D97.1Very high97.6Very high99 Ų9946.7 Ų46.753%0.52927%0.266SS..G310 helixtrans-89.6-1.3-178.8-62.4-29.5000112.5S113 D115 P116 N120S113-D118 WeakPolarHBondContact CB-OD2 3.19Å; S113-D118 PolarHBondContact OG-OD2 3Å; D115-D118 PolarHBondContact O-N 3.06Å; P116-D118 PolarHBondContact O-N 3.28Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.49Å
119G97.3Very high97.7Very high58 Ų5848.7 Ų48.760%0.59827%0.274SS*.SBendtrans77.7-4.1169.500000116.7P116 K117 T121P116-G119 PolarHBondContact O-N 2.83Å; K117-G119 VanDerWaalsContact C-N 3.34Å; G119-T121 VanDerWaalsContact C-N 3.29Å; G119-T121 PolarHBondContact O-N 3.42Å
120N98.2Very high97.6Very high24 Ų2451.6 Ų51.613%0.12829%0.289CS..SBendtrans-70.2-26.8177.8-57.1-60.8000112.7R112 S113 D118 S268 T269 F270R112-N120 PolarHBondContact NH1-OD1 3.14Å; S113-N120 WeakPolarHBondContact O-CB 3.48Å; S113-N120 PolarHBondContact O-ND2 3.21Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.49Å; N120-S268 CarbonylContact O-C 3.57Å; N120-S268 WeakPolarHBondContact O-CA 3.38Å; N120-T269 PolarHBondContact O-N 2.94Å; N120-T269 PolarHBondContact O-OG1 3.45Å; N120-F270 HydrophobicContact CB-CD1 4.44Å; N120-F270 HydrophobicContact CB-CE1 3.67Å; N120-F270 HydrophobicContact CB-CZ 3.98Å
121T98.4Very high97.6Very high4 Ų455.8 Ų55.83%0.02530%0.296CS..BIsolated β-bridgetrans-151.8154.5175.5-175.90000112P116 G119 E123 L267 F270P116-T121 VanDerWaalsContact CA-O 3.27Å; P116-T121 WeakPolarHBondContact CA-O 3.14Å; G119-T121 VanDerWaalsContact C-N 3.29Å; G119-T121 PolarHBondContact O-N 3.42Å; T121-E123 WeakPolarHBondContact OG1-CB 3.3Å; T121-E123 PolarHBondContact OG1-N 2.89Å; T121-E123 VanDerWaalsContact OG1-N 3.1Å; T121-L267 CarbonylContact C-O 3.53Å; T121-L267 WeakPolarHBondContact CA-O 3.38Å; T121-L267 WeakPolarHBondContact CB-O 3.49Å; T121-L267 PolarHBondContact OG1-O 3.49Å; T121-F270 HydrophobicContact CG2-CE2 4.32Å; T121-F270 HydrophobicContact CG2-CZ 4.39Å
122T98Very high97.5Very high103 Ų10355.4 Ų55.463%0.63230%0.295SS*.  trans-103.64.6169.357.80000113N124 L267T122-N124 PolarHBondContact O-N 3.1Å; T122-L267 PolarHBondContact N-O 3.17Å
123E97.6Very high97.5Very high11 Ų1151.2 Ų51.25%0.05128%0.28CS..  trans-64.2133.5-178.7-173.4-174.3173.600112.1T121 I125 T128 L263 L267T121-E123 WeakPolarHBondContact OG1-CB 3.3Å; T121-E123 PolarHBondContact OG1-N 2.89Å; T121-E123 VanDerWaalsContact OG1-N 3.1Å; E123-I125 HydrophobicContact CG-CG2 4.1Å; E123-I125 PolarHBondContact O-N 3.04Å; E123-T128 VanDerWaalsContact OE1-CB 3.28Å; E123-T128 WeakPolarHBondContact OE1-CB 3.33Å; E123-T128 WeakPolarHBondContact OE1-CG2 3.46Å; E123-T128 PolarHBondContact OE1-OG1 3.39Å; E123-L263 HydrophobicContact CG-CB 4.46Å; E123-L263 HydrophobicContact CG-CD1 4Å; E123-L263 WeakPolarHBondContact OE1-CD1 3.43Å; E123-L267 HydrophobicContact CB-CD1 4.48Å
124N97.6Very high97.2Very high77 Ų7752.7 Ų52.741%0.41228%0.284SS..  trans-93.388.5162.5-174.8-3.9000110.1K98 T122 N126 N127 T128K98-N124 PolarHBondContact NZ-OD1 3.05Å; T122-N124 PolarHBondContact O-N 3.1Å; N124-N126 PolarHBondContact O-N 2.96Å; N124-N126 PolarHBondContact OD1-N 3.37Å; N124-N127 HydrophobicContact CB-CB 4.27Å; N124-N127 WeakPolarHBondContact O-CA 3.08Å; N124-N127 VanDerWaalsContact O-CB 3.31Å; N124-N127 WeakPolarHBondContact O-CB 3.26Å; N124-N127 PolarHBondContact O-N 2.97Å; N124-T128 PolarHBondContact O-N 3.39Å
125I96.6Very high96.9Very high31 Ų3154.4 Ų54.416%0.15931%0.305CS..Hα-helixtrans-55.6-29.6-174.869.4172.6000113.8F102 I114 E123 N127 T128 F129F102-I125 HydrophobicContact CD1-CD1 4.38Å; F102-I125 HydrophobicContact CE1-CD1 3.52Å; F102-I125 HydrophobicContact CE1-CG1 4.14Å; F102-I125 HydrophobicContact CZ-CD1 4.23Å; F102-I125 HydrophobicContact CZ-CG1 4.4Å; I114-I125 HydrophobicContact CD1-CD1 4.07Å; E123-I125 HydrophobicContact CG-CG2 4.1Å; E123-I125 PolarHBondContact O-N 3.04Å; I125-N127 VanDerWaalsContact C-N 3.31Å; I125-N127 PolarHBondContact O-N 3.33Å; I125-T128 WeakPolarHBondContact O-CB 3.5Å; I125-T128 PolarHBondContact O-N 2.83Å; I125-F129 HydrophobicContact CB-CE2 4.18Å; I125-F129 HydrophobicContact CD1-CE2 4.15Å; I125-F129 HydrophobicContact CG1-CE2 4.21Å; I125-F129 WeakPolarHBondContact O-CD2 3.48Å; I125-F129 WeakPolarHBondContact O-CG 3.31Å; I125-F129 PolarHBondContact O-N 3.14Å
126N96.4Very high96.7Very high48 Ų4859.8 Ų59.826%0.25733%0.334SS..Hα-helixtrans-64.1-38.5176.6-17971.2000111.5W97 N124 I130W97-N126 HydrophobicContact CH2-CB 4.14Å; N124-N126 PolarHBondContact O-N 2.96Å; N124-N126 PolarHBondContact OD1-N 3.37Å; N126-I130 WeakPolarHBondContact ND2-CD1 3.33Å; N126-I130 VanDerWaalsContact O-CG1 3.27Å; N126-I130 WeakPolarHBondContact O-CG1 3.47Å; N126-I130 PolarHBondContact O-N 2.87Å
127N97.2Very high96.6Very high71 Ų7157.2 Ų57.238%0.3832%0.318SS..Hα-helixtrans-67.6-41.8175-16814.5000110.7N124 I125 F129 I130 K131N124-N127 HydrophobicContact CB-CB 4.27Å; N124-N127 WeakPolarHBondContact O-CA 3.08Å; N124-N127 VanDerWaalsContact O-CB 3.31Å; N124-N127 WeakPolarHBondContact O-CB 3.26Å; N124-N127 PolarHBondContact O-N 2.97Å; I125-N127 VanDerWaalsContact C-N 3.31Å; I125-N127 PolarHBondContact O-N 3.33Å; N127-F129 VanDerWaalsContact C-N 3.34Å; N127-F129 PolarHBondContact O-N 3.25Å; N127-I130 PolarHBondContact O-N 3.49Å; N127-K131 WeakPolarHBondContact O-CB 3.29Å; N127-K131 WeakPolarHBondContact O-CG 3.23Å; N127-K131 PolarHBondContact O-N 3.07Å; N127-K131 WeakPolarHBondContact OD1-CE 3.46Å
128T98Very high96.6Very high6 Ų649.9 Ų49.94%0.03729%0.286CS..Hα-helixtrans-55.7-48.5175.3-51.50000111.3E123 N124 I125 K131 T132 L259 R260 L263E123-T128 VanDerWaalsContact OE1-CB 3.28Å; E123-T128 WeakPolarHBondContact OE1-CB 3.33Å; E123-T128 WeakPolarHBondContact OE1-CG2 3.46Å; E123-T128 PolarHBondContact OE1-OG1 3.39Å; N124-T128 PolarHBondContact O-N 3.39Å; I125-T128 WeakPolarHBondContact O-CB 3.5Å; I125-T128 PolarHBondContact O-N 2.83Å; T128-K131 PolarHBondContact O-N 3.2Å; T128-T132 PolarHBondContact O-N 3.12Å; T128-T132 PolarHBondContact O-OG1 2.84Å; T128-L259 HydrophobicContact CG2-CD2 3.89Å; T128-L259 HydrophobicContact CG2-CG 4.11Å; T128-R260 HydrophobicContact CG2-CG 3.98Å; T128-L263 HydrophobicContact CG2-CD1 3.91Å; T128-L263 WeakPolarHBondContact OG1-CD1 3.44Å
129F98.2Very high96.6Very high43 Ų4347.9 Ų47.919%0.18928%0.275CS..Hα-helixtrans-65.8-42.5177.5-62.6-44000113.1I125 N127 K131 T132 L133 L256 V282 P445I125-F129 HydrophobicContact CB-CE2 4.18Å; I125-F129 HydrophobicContact CD1-CE2 4.15Å; I125-F129 HydrophobicContact CG1-CE2 4.21Å; I125-F129 WeakPolarHBondContact O-CD2 3.48Å; I125-F129 WeakPolarHBondContact O-CG 3.31Å; I125-F129 PolarHBondContact O-N 3.14Å; N127-F129 VanDerWaalsContact C-N 3.34Å; N127-F129 PolarHBondContact O-N 3.25Å; F129-K131 VanDerWaalsContact C-N 3.33Å; F129-K131 PolarHBondContact O-N 2.93Å; F129-T132 PolarHBondContact O-N 2.92Å; F129-L133 HydrophobicContact CB-CD1 4.22Å; F129-L133 HydrophobicContact CD1-CD1 4.34Å; F129-L133 VanDerWaalsContact O-CB 3.28Å; F129-L133 WeakPolarHBondContact O-CB 2.98Å; F129-L133 PolarHBondContact O-N 3.34Å; F129-L256 HydrophobicContact CD1-CD1 3.68Å; F129-L256 HydrophobicContact CE1-CD1 3.94Å; F129-V282 HydrophobicContact CE1-CG2 3.97Å; F129-V282 HydrophobicContact CZ-CG2 4.33Å; F129-P445 HydrophobicContact CB-CB 3.71Å; F129-P445 HydrophobicContact CB-CG 3.68Å; F129-P445 HydrophobicContact CD2-CG 4.14Å; F129-P445 HydrophobicContact CG-CG 4.04Å
130I96.4Very high96.5Very high66 Ų6647.7 Ų47.734%0.33827%0.265SS..Hα-helixtrans-61.4-43.6177.9-71.6168.1000110.9N126 N127 T132 Q134N126-I130 WeakPolarHBondContact ND2-CD1 3.33Å; N126-I130 VanDerWaalsContact O-CG1 3.27Å; N126-I130 WeakPolarHBondContact O-CG1 3.47Å; N126-I130 PolarHBondContact O-N 2.87Å; N127-I130 PolarHBondContact O-N 3.49Å; I130-T132 VanDerWaalsContact C-N 3.26Å; I130-T132 PolarHBondContact O-N 3.17Å; I130-Q134 WeakPolarHBondContact O-CB 3.27Å
131K97.1Very high96.5Very high127 Ų12746.9 Ų46.955%0.55226%0.26SS*.Hα-helixtrans-62.3-32.8179.1-76.1-179.6175.8-173.60113.3N127 T128 F129N127-K131 WeakPolarHBondContact O-CB 3.29Å; N127-K131 WeakPolarHBondContact O-CG 3.23Å; N127-K131 PolarHBondContact O-N 3.07Å; N127-K131 WeakPolarHBondContact OD1-CE 3.46Å; T128-K131 PolarHBondContact O-N 3.2Å; F129-K131 VanDerWaalsContact C-N 3.33Å; F129-K131 PolarHBondContact O-N 2.93Å
132T98.3Very high96.5Very high3 Ų346.8 Ų46.82%0.01826%0.26CS..Hα-helixtrans-112.2-8-166.456.40000114.8T128 F129 I130 A137 E255 L256 L259T128-T132 PolarHBondContact O-N 3.12Å; T128-T132 PolarHBondContact O-OG1 2.84Å; F129-T132 PolarHBondContact O-N 2.92Å; I130-T132 VanDerWaalsContact C-N 3.26Å; I130-T132 PolarHBondContact O-N 3.17Å; T132-A137 WeakPolarHBondContact O-CB 3.31Å; T132-E255 HydrophobicContact CG2-CB 4.48Å; T132-E255 HydrophobicContact CG2-CG 4.14Å; T132-L256 VanDerWaalsContact OG1-CD1 3.3Å; T132-L256 WeakPolarHBondContact OG1-CD1 3.36Å; T132-L259 HydrophobicContact CG2-CB 4.24Å; T132-L259 HydrophobicContact CG2-CD2 3.67Å
133L97.8Very high96.4Very high15 Ų1547.5 Ų47.58%0.07926%0.256CS..SBendtrans-117.112.5177.6-62.8172.9000112.9F129 L141 L256 P445F129-L133 HydrophobicContact CB-CD1 4.22Å; F129-L133 HydrophobicContact CD1-CD1 4.34Å; F129-L133 VanDerWaalsContact O-CB 3.28Å; F129-L133 WeakPolarHBondContact O-CB 2.98Å; F129-L133 PolarHBondContact O-N 3.34Å; L133-L141 HydrophobicContact CD2-CD2 3.75Å; L133-L256 HydrophobicContact CD1-CD2 4.42Å; L133-L256 HydrophobicContact CD2-CD2 4.08Å; L133-L256 HydrophobicContact CG-CD2 4.39Å; L133-P445 HydrophobicContact CD1-CB 4.25Å; L133-P445 HydrophobicContact CD1-CG 4.23Å
134Q92.1Very high96.5Very high62 Ų6248 Ų4829%0.2926%0.26SS..SBendtrans-140.2172.1178.1-56.9176.725.700109.6I130 L138I130-Q134 WeakPolarHBondContact O-CB 3.27Å; Q134-L138 PolarHBondContact O-N 2.68Å
135G92.5Very high96.5Very high51 Ų5144.3 Ų44.353%0.52624%0.241SC..Hα-helixtrans56-140.3177.100000113.1A137 L138 N139G135-A137 VanDerWaalsContact C-N 3.33Å; G135-A137 PolarHBondContact O-N 2.98Å; G135-L138 WeakPolarHBondContact O-CB 3.23Å; G135-L138 PolarHBondContact O-N 2.98Å; G135-L138 VanDerWaalsContact O-N 3.15Å; G135-N139 PolarHBondContact O-N 2.77Å; G135-N139 PolarHBondContact O-OD1 2.74Å
136N92.3Very high96.6Very high138 Ų13843.2 Ų43.274%0.73824%0.235SC*.Hα-helixtrans-63-36.2-175.3-65.5-13.5000113.3L138 N139 S140N136-L138 PolarHBondContact O-N 2.98Å; N136-N139 WeakPolarHBondContact O-CB 3.11Å; N136-N139 PolarHBondContact O-N 3.04Å; N136-S140 PolarHBondContact O-N 2.87Å
137A95.6Very high96.7Very high5 Ų545 Ų454%0.04124%0.242CC..Hα-helixtrans-59.6-39.9177.300000111T132 G135 N139 S140 L141 E255T132-A137 WeakPolarHBondContact O-CB 3.31Å; G135-A137 VanDerWaalsContact C-N 3.33Å; G135-A137 PolarHBondContact O-N 2.98Å; A137-N139 VanDerWaalsContact C-N 3.32Å; A137-N139 PolarHBondContact O-N 3.36Å; A137-S140 PolarHBondContact O-N 3.22Å; A137-S140 PolarHBondContact O-OG 3.48Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 3.44Å; A137-L141 VanDerWaalsContact O-N 3.07Å; A137-E255 HydrophobicContact CB-CB 4.47Å; A137-E255 WeakPolarHBondContact CB-OE2 3.39Å
138L96.5Very high96.7Very high6 Ų641.6 Ų41.63%0.03122%0.224CC..Hα-helixtrans-63.7-33.5175.5179.866.3000112.8Q134 G135 N136 L141 T142 Q337 V448 F449Q134-L138 PolarHBondContact O-N 2.68Å; G135-L138 WeakPolarHBondContact O-CB 3.23Å; G135-L138 PolarHBondContact O-N 2.98Å; G135-L138 VanDerWaalsContact O-N 3.15Å; N136-L138 PolarHBondContact O-N 2.98Å; L138-L141 PolarHBondContact O-N 3.46Å; L138-T142 VanDerWaalsContact O-CB 3.26Å; L138-T142 WeakPolarHBondContact O-CB 3.43Å; L138-T142 PolarHBondContact O-N 3.1Å; L138-T142 PolarHBondContact O-OG1 3.45Å; L138-Q337 VanDerWaalsContact C-NE2 3.34Å; L138-Q337 PolarHBondContact O-NE2 3.07Å; L138-V448 HydrophobicContact CD2-CB 3.81Å; L138-V448 HydrophobicContact CD2-CG1 3.54Å; L138-F449 HydrophobicContact CD1-CB 3.57Å; L138-F449 HydrophobicContact CD1-CD2 4.17Å; L138-F449 HydrophobicContact CD1-CG 4.33Å
139N95.4Very high96.7Very high57 Ų5741.3 Ų41.331%0.30522%0.222SC..Hα-helixtrans-59.7-56.4176.7-59.6-0.4000109.9G135 N136 A137 L141 T142 E143 Q337G135-N139 PolarHBondContact O-N 2.77Å; G135-N139 PolarHBondContact O-OD1 2.74Å; N136-N139 WeakPolarHBondContact O-CB 3.11Å; N136-N139 PolarHBondContact O-N 3.04Å; A137-N139 VanDerWaalsContact C-N 3.32Å; A137-N139 PolarHBondContact O-N 3.36Å; N139-L141 VanDerWaalsContact C-N 3.26Å; N139-L141 PolarHBondContact O-N 3.27Å; N139-T142 WeakPolarHBondContact O-CB 3.49Å; N139-T142 PolarHBondContact O-N 2.95Å; N139-T142 VanDerWaalsContact O-N 3.14Å; N139-E143 WeakPolarHBondContact O-CG 3.29Å; N139-E143 PolarHBondContact O-N 2.73Å; N139-Q337 VanDerWaalsContact N-NE2 3.17Å; N139-Q337 PolarHBondContact OD1-NE2 2.91Å; N139-Q337 PolarHBondContact OD1-OE1 3.39Å
140S96.1Very high96.7Very high54 Ų5439.5 Ų39.538%0.37821%0.214SC..Hα-helixtrans-59.9-37179.469.10000112.8N136 A137 S144N136-S140 PolarHBondContact O-N 2.87Å; A137-S140 PolarHBondContact O-N 3.22Å; A137-S140 PolarHBondContact O-OG 3.48Å; S140-S144 VanDerWaalsContact O-CB 3.28Å; S140-S144 WeakPolarHBondContact O-CB 3.45Å; S140-S144 PolarHBondContact O-N 3.1Å
141L97.7Very high96.5Very high6 Ų642.3 Ų42.33%0.03122%0.221CC..Hα-helixtrans-68.4-40.9178.6-15969.1000111.7L133 A137 L138 N139 M145 T186 I187 F449L133-L141 HydrophobicContact CD2-CD2 3.75Å; A137-L141 WeakPolarHBondContact O-CB 3.45Å; A137-L141 PolarHBondContact O-N 3.44Å; A137-L141 VanDerWaalsContact O-N 3.07Å; L138-L141 PolarHBondContact O-N 3.46Å; N139-L141 VanDerWaalsContact C-N 3.26Å; N139-L141 PolarHBondContact O-N 3.27Å; L141-M145 WeakPolarHBondContact O-CB 3.4Å; L141-M145 PolarHBondContact O-N 2.83Å; L141-T186 HydrophobicContact CD1-CG2 3.7Å; L141-T186 HydrophobicContact CG-CG2 4.04Å; L141-I187 HydrophobicContact CD1-CD1 4.11Å; L141-I187 HydrophobicContact CD2-CD1 4.2Å; L141-F449 HydrophobicContact CB-CD2 4.25Å; L141-F449 HydrophobicContact CB-CE2 4.22Å; L141-F449 HydrophobicContact CD2-CB 4.47Å; L141-F449 HydrophobicContact CD2-CD1 4.01Å; L141-F449 HydrophobicContact CD2-CD2 3.68Å; L141-F449 HydrophobicContact CD2-CE1 4.17Å; L141-F449 HydrophobicContact CD2-CE2 3.86Å; L141-F449 HydrophobicContact CD2-CG 3.76Å; L141-F449 HydrophobicContact CD2-CZ 4.1Å; L141-F449 HydrophobicContact CG-CD2 3.85Å; L141-F449 HydrophobicContact CG-CE2 3.6Å; L141-F449 HydrophobicContact CG-CG 4.41Å; L141-F449 HydrophobicContact CG-CZ 3.96Å
142T98.1Very high96.4Very high3 Ų337.6 Ų37.62%0.01820%0.201CC..Hα-helixtrans-65.4-43.3177.4-59.10000111L138 N139 M145 M146 L340 H452 Q456L138-T142 VanDerWaalsContact O-CB 3.26Å; L138-T142 WeakPolarHBondContact O-CB 3.43Å; L138-T142 PolarHBondContact O-N 3.1Å; L138-T142 PolarHBondContact O-OG1 3.45Å; N139-T142 WeakPolarHBondContact O-CB 3.49Å; N139-T142 PolarHBondContact O-N 2.95Å; N139-T142 VanDerWaalsContact O-N 3.14Å; T142-M145 PolarHBondContact O-N 3.23Å; T142-M146 PolarHBondContact O-N 2.93Å; T142-M146 VanDerWaalsContact O-N 3.13Å; T142-L340 HydrophobicContact CG2-CD1 3.53Å; T142-H452 HydrophobicContact CG2-CB 4.04Å; T142-H452 WeakPolarHBondContact CG2-ND1 3.22Å; T142-H452 PolarHBondContact OG1-ND1 3.26Å; T142-Q456 PolarHBondContact O-NE2 3.16Å
143E97.6Very high96.3Very high118 Ų11837.9 Ų37.955%0.55120%0.202SC*.Hα-helixtrans-63.9-47.9176.1-71.6164.7-168.600111.3N139 M145 M146 E147N139-E143 WeakPolarHBondContact O-CG 3.29Å; N139-E143 PolarHBondContact O-N 2.73Å; E143-M145 VanDerWaalsContact C-N 3.29Å; E143-M145 PolarHBondContact O-N 2.96Å; E143-M146 PolarHBondContact O-N 2.82Å; E143-M146 VanDerWaalsContact O-N 3.16Å; E143-E147 PolarHBondContact O-N 3.29Å
144S98.1Very high96Very high20 Ų2039.5 Ų39.514%0.1421%0.207CC..Hα-helixtrans-60.1-38.7177.6-176.70000112.4S140 E147 N148S140-S144 VanDerWaalsContact O-CB 3.28Å; S140-S144 WeakPolarHBondContact O-CB 3.45Å; S140-S144 PolarHBondContact O-N 3.1Å; S144-E147 PolarHBondContact O-N 3.41Å; S144-N148 WeakPolarHBondContact O-CB 3.24Å; S144-N148 PolarHBondContact O-N 3.38Å; S144-N148 PolarHBondContact O-ND2 2.95Å; S144-N148 VanDerWaalsContact O-ND2 3.09Å; S144-N148 PolarHBondContact OG-ND2 3.2Å
145M98.7Very high95.7Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-63.6-44.7175.3-171.356.3175.300112.2L141 T142 E143 E147 N148 L149 M179 A182 T186 F449 E453 Q456L141-M145 WeakPolarHBondContact O-CB 3.4Å; L141-M145 PolarHBondContact O-N 2.83Å; T142-M145 PolarHBondContact O-N 3.23Å; E143-M145 VanDerWaalsContact C-N 3.29Å; E143-M145 PolarHBondContact O-N 2.96Å; M145-E147 VanDerWaalsContact C-N 3.33Å; M145-E147 PolarHBondContact O-N 3.03Å; M145-N148 PolarHBondContact O-N 3.11Å; M145-L149 HydrophobicContact CE-CD1 4.02Å; M145-L149 HydrophobicContact CE-CD2 4Å; M145-L149 HydrophobicContact CE-CG 3.89Å; M145-L149 HydrophobicContact CG-CD1 4.01Å; M145-L149 HydrophobicContact CG-CG 4.35Å; M145-L149 WeakPolarHBondContact O-CB 3.36Å; M145-L149 WeakPolarHBondContact O-CG 3.13Å; M145-L149 PolarHBondContact O-N 3.34Å; M145-L149 HydrophobicContact SD-CD1 4.49Å; M145-L149 HydrophobicContact SD-CG 4.26Å; M145-M179 HydrophobicContact CE-CE 3.67Å; M145-M179 HydrophobicContact CE-SD 4.4Å; M145-A182 HydrophobicContact CE-CB 3.58Å; M145-A182 HydrophobicContact SD-CB 3.78Å; M145-T186 WeakPolarHBondContact CA-OG1 3.39Å; M145-T186 HydrophobicContact CB-CG2 4.05Å; M145-T186 PolarHBondContact SD-OG1 2.84Å; M145-F449 HydrophobicContact CB-CE2 3.87Å; M145-F449 HydrophobicContact CB-CZ 4.01Å; M145-F449 HydrophobicContact CG-CE2 4.28Å; M145-F449 HydrophobicContact CG-CZ 4.09Å; M145-F449 HydrophobicContact SD-CZ 4.46Å; M145-E453 HydrophobicContact CE-CB 3.8Å; M145-E453 WeakPolarHBondContact CE-OE2 3.28Å; M145-E453 HydrophobicContact CG-CB 3.76Å; M145-Q456 VanDerWaalsContact CG-OE1 3.3Å
146M98.5Very high95Very high9 Ų939.7 Ų39.74%0.04421%0.205CC..Hα-helixtrans-61.3-41.8177.1-17856.296.200111.9T142 E143 Q150 I333 L335 Q456 L460T142-M146 PolarHBondContact O-N 2.93Å; T142-M146 VanDerWaalsContact O-N 3.13Å; E143-M146 PolarHBondContact O-N 2.82Å; E143-M146 VanDerWaalsContact O-N 3.16Å; M146-Q150 VanDerWaalsContact O-CG 3.3Å; M146-Q150 WeakPolarHBondContact O-CG 3.09Å; M146-Q150 PolarHBondContact O-N 2.83Å; M146-Q150 VanDerWaalsContact O-N 3.14Å; M146-Q150 PolarHBondContact O-NE2 3.34Å; M146-Q150 HydrophobicContact SD-CG 4.28Å; M146-I333 WeakPolarHBondContact CG-O 3.39Å; M146-L335 HydrophobicContact CE-CD1 4.29Å; M146-Q456 HydrophobicContact CE-CB 3.95Å; M146-Q456 HydrophobicContact CE-CG 3.62Å; M146-Q456 HydrophobicContact SD-CB 4.3Å; M146-Q456 HydrophobicContact SD-CG 4.34Å; M146-L460 HydrophobicContact SD-CD1 4.02Å; M146-L460 HydrophobicContact SD-CD2 4.27Å; M146-L460 HydrophobicContact SD-CG 4.27Å
147E97.4Very high93.7Very high84 Ų8437.6 Ų37.639%0.39320%0.197SC..Hα-helixtrans-62.8-47.2175.3-71.4-176.8-165.100112.2E143 S144 M145 Q150 R151E143-E147 PolarHBondContact O-N 3.29Å; S144-E147 PolarHBondContact O-N 3.41Å; M145-E147 VanDerWaalsContact C-N 3.33Å; M145-E147 PolarHBondContact O-N 3.03Å; E147-Q150 PolarHBondContact O-N 2.86Å; E147-R151 WeakPolarHBondContact O-CG 3.36Å; E147-R151 PolarHBondContact O-N 3.42Å; E147-R151 IonicContact OE2-CZ 3.68Å; E147-R151 IonicContact OE2-NH1 3.43Å; E147-R151 PolarHBondContact OE2-NH1 3.1Å; E147-R151 IonicContact OE2-NH2 3.06Å; E147-R151 PolarHBondContact OE2-NH2 2.89Å
148N97.6Very high91.9Very high1 Ų147 Ų471%0.00524%0.237CC..Hα-helixtrans-67.5-43.4-177.3-72.7-38000111.4S144 M145 Q150 R151 I152 A182 T186S144-N148 WeakPolarHBondContact O-CB 3.24Å; S144-N148 PolarHBondContact O-N 3.38Å; S144-N148 PolarHBondContact O-ND2 2.95Å; S144-N148 VanDerWaalsContact O-ND2 3.09Å; S144-N148 PolarHBondContact OG-ND2 3.2Å; M145-N148 PolarHBondContact O-N 3.11Å; N148-Q150 VanDerWaalsContact C-N 3.32Å; N148-Q150 PolarHBondContact O-N 2.86Å; N148-R151 PolarHBondContact O-N 3.35Å; N148-R151 PolarHBondContact OD1-NH1 3.5Å; N148-R151 VanDerWaalsContact OD1-NH1 3.11Å; N148-I152 VanDerWaalsContact O-CD1 3.23Å; N148-I152 WeakPolarHBondContact O-CD1 3.3Å; N148-I152 VanDerWaalsContact O-CG1 3.24Å; N148-I152 WeakPolarHBondContact O-CG1 3.39Å; N148-I152 PolarHBondContact O-N 3.31Å; N148-A182 HydrophobicContact CB-CB 4.43Å; N148-T186 PolarHBondContact ND2-N 3.4Å; N148-T186 PolarHBondContact ND2-OG1 3.36Å
149L98.5Very high89.9Confident0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-55.7-46.9173.8-78.5170.2000111.4M145 R151 I152 M153 V178 M179 A182 Q456 F457 L460M145-L149 HydrophobicContact CE-CD1 4.02Å; M145-L149 HydrophobicContact CE-CD2 4Å; M145-L149 HydrophobicContact CE-CG 3.89Å; M145-L149 HydrophobicContact CG-CD1 4.01Å; M145-L149 HydrophobicContact CG-CG 4.35Å; M145-L149 WeakPolarHBondContact O-CB 3.36Å; M145-L149 WeakPolarHBondContact O-CG 3.13Å; M145-L149 PolarHBondContact O-N 3.34Å; M145-L149 HydrophobicContact SD-CD1 4.49Å; M145-L149 HydrophobicContact SD-CG 4.26Å; L149-R151 PolarHBondContact O-N 2.91Å; L149-I152 PolarHBondContact O-N 3.48Å; L149-M153 HydrophobicContact CB-SD 4.39Å; L149-M153 HydrophobicContact CD2-SD 4.19Å; L149-M153 VanDerWaalsContact O-CB 3.27Å; L149-M153 WeakPolarHBondContact O-CB 3.46Å; L149-M153 VanDerWaalsContact O-CG 3.24Å; L149-M153 WeakPolarHBondContact O-CG 3.43Å; L149-M153 PolarHBondContact O-N 2.93Å; L149-V178 HydrophobicContact CD2-CG1 3.77Å; L149-M179 HydrophobicContact CD2-SD 4.06Å; L149-A182 HydrophobicContact CD2-CB 3.63Å; L149-A182 HydrophobicContact CG-CB 3.89Å; L149-Q456 HydrophobicContact CD1-CB 3.66Å; L149-F457 HydrophobicContact CD1-CB 4.47Å; L149-F457 HydrophobicContact CD2-CD2 4.31Å; L149-L460 HydrophobicContact CB-CD1 3.53Å; L149-L460 HydrophobicContact CD1-CD1 4.35Å
150Q97.3Very high88Confident5 Ų550.1 Ų50.12%0.02326%0.256CS..Hα-helixtrans-64.9-40.8178.7-72.1-179.493.200112.7M146 E147 N148 I152 R154 P332 I333 L460 Y464M146-Q150 VanDerWaalsContact O-CG 3.3Å; M146-Q150 WeakPolarHBondContact O-CG 3.09Å; M146-Q150 PolarHBondContact O-N 2.83Å; M146-Q150 VanDerWaalsContact O-N 3.14Å; M146-Q150 PolarHBondContact O-NE2 3.34Å; M146-Q150 HydrophobicContact SD-CG 4.28Å; E147-Q150 PolarHBondContact O-N 2.86Å; N148-Q150 VanDerWaalsContact C-N 3.32Å; N148-Q150 PolarHBondContact O-N 2.86Å; Q150-I152 VanDerWaalsContact C-N 3.26Å; Q150-I152 PolarHBondContact O-N 3.04Å; Q150-R154 VanDerWaalsContact O-CB 3.26Å; Q150-R154 WeakPolarHBondContact O-CB 3.46Å; Q150-R154 WeakPolarHBondContact O-CD 3.47Å; Q150-R154 WeakPolarHBondContact O-CG 3.33Å; Q150-R154 PolarHBondContact O-N 3.43Å; Q150-P332 VanDerWaalsContact OE1-CA 3.31Å; Q150-I333 PolarHBondContact NE2-O 3.01Å; Q150-L460 HydrophobicContact CG-CD1 3.79Å; Q150-L460 HydrophobicContact CG-CD2 3.64Å; Q150-L460 HydrophobicContact CG-CG 4.38Å; Q150-Y464 WeakPolarHBondContact CG-OH 3.3Å; Q150-Y464 PolarHBondContact OE1-OH 2.65Å; Q150-Y464 VanDerWaalsContact OE1-OH 3.07Å
151R93.8Very high85.9Confident125 Ų12553 Ų5347%0.47228%0.276SS..Hα-helixtrans-59.4-38174.9-73.8175.9-172.9126.28.3112.3E147 N148 L149 R190E147-R151 WeakPolarHBondContact O-CG 3.36Å; E147-R151 PolarHBondContact O-N 3.42Å; E147-R151 IonicContact OE2-CZ 3.68Å; E147-R151 IonicContact OE2-NH1 3.43Å; E147-R151 PolarHBondContact OE2-NH1 3.1Å; E147-R151 IonicContact OE2-NH2 3.06Å; E147-R151 PolarHBondContact OE2-NH2 2.89Å; N148-R151 PolarHBondContact O-N 3.35Å; N148-R151 PolarHBondContact OD1-NH1 3.5Å; N148-R151 VanDerWaalsContact OD1-NH1 3.11Å; L149-R151 PolarHBondContact O-N 2.91Å; R151-R190 VanDerWaalsContact NH1-CZ 3.3Å
152I94.7Very high83.8Confident28 Ų2860.8 Ų60.814%0.14431%0.31CS..Hα-helixtrans-82.5-36.5-176.1-65.5157.2000111.8N148 L149 Q150 V178 E181 A182N148-I152 VanDerWaalsContact O-CD1 3.23Å; N148-I152 WeakPolarHBondContact O-CD1 3.3Å; N148-I152 VanDerWaalsContact O-CG1 3.24Å; N148-I152 WeakPolarHBondContact O-CG1 3.39Å; N148-I152 PolarHBondContact O-N 3.31Å; L149-I152 PolarHBondContact O-N 3.48Å; Q150-I152 VanDerWaalsContact C-N 3.26Å; Q150-I152 PolarHBondContact O-N 3.04Å; I152-V178 HydrophobicContact CG2-CG1 4.4Å; I152-V178 HydrophobicContact CG2-CG2 4.42Å; I152-E181 HydrophobicContact CD1-CB 3.89Å; I152-E181 HydrophobicContact CD1-CG 3.57Å; I152-E181 HydrophobicContact CG1-CG 4Å; I152-A182 HydrophobicContact CD1-CB 3.6Å; I152-A182 VanDerWaalsContact CD1-N 3.29Å
153M95.3Very high82.2Confident8 Ų861.2 Ų61.24%0.03931%0.313CS..Hα-helixtrans-87.7-19.5-174.7-66.3174.868.700113.4L149 V178 F457 L460 M461 Y464 F465 F501L149-M153 HydrophobicContact CB-SD 4.39Å; L149-M153 HydrophobicContact CD2-SD 4.19Å; L149-M153 VanDerWaalsContact O-CB 3.27Å; L149-M153 WeakPolarHBondContact O-CB 3.46Å; L149-M153 VanDerWaalsContact O-CG 3.24Å; L149-M153 WeakPolarHBondContact O-CG 3.43Å; L149-M153 PolarHBondContact O-N 2.93Å; M153-V178 HydrophobicContact CG-CG1 3.69Å; M153-V178 HydrophobicContact CG-CG2 4.44Å; M153-V178 HydrophobicContact SD-CG1 3.86Å; M153-F457 HydrophobicContact CE-CD2 4.41Å; M153-F457 HydrophobicContact CE-CE2 4.41Å; M153-F457 HydrophobicContact SD-CD2 4.15Å; M153-F457 HydrophobicContact SD-CE2 4.49Å; M153-L460 HydrophobicContact CE-CB 3.67Å; M153-L460 HydrophobicContact SD-CB 3.91Å; M153-L460 HydrophobicContact SD-CD1 3.9Å; M153-M461 HydrophobicContact CE-CG 3.9Å; M153-M461 HydrophobicContact CE-SD 3.46Å; M153-M461 WeakPolarHBondContact CE-SD 3.43Å; M153-Y464 HydrophobicContact CB-CD2 4.24Å; M153-Y464 HydrophobicContact CB-CE2 4.41Å; M153-F465 HydrophobicContact CE-CE2 3.87Å; M153-F501 VanDerWaalsContact O-CE1 3.24Å; M153-F501 WeakPolarHBondContact O-CE1 3.21Å; M153-F501 VanDerWaalsContact O-CZ 3.23Å; M153-F501 WeakPolarHBondContact O-CZ 3.46Å
154R92Very high81Confident49 Ų4958.6 Ų58.619%0.18531%0.311CS..SBendtrans-72.5147.5173.6-78.3173.5172.6-162.5-6.7111.2Q150 S327 L328 G330 N331 Y464Q150-R154 VanDerWaalsContact O-CB 3.26Å; Q150-R154 WeakPolarHBondContact O-CB 3.46Å; Q150-R154 WeakPolarHBondContact O-CD 3.47Å; Q150-R154 WeakPolarHBondContact O-CG 3.33Å; Q150-R154 PolarHBondContact O-N 3.43Å; R154-S327 PolarHBondContact NH2-O 2.97Å; R154-L328 VanDerWaalsContact CD-O 3.28Å; R154-L328 WeakPolarHBondContact CD-O 3.4Å; R154-G330 PolarHBondContact NH1-O 3.1Å; R154-G330 PolarHBondContact NH2-O 3.19Å; R154-G330 VanDerWaalsContact NH2-O 3.13Å; R154-N331 PolarHBondContact NH2-O 3.02Å; R154-Y464 HydrophobicContact CG-CE2 3.88Å; R154-Y464 PolarHBondContact NE-OH 2.96Å
155P85.9Confident80.5Confident21 Ų2160.5 Ų60.514%0.13633%0.328CS..PPolyproline II helixtrans-68.5158.3175.230.6-33.7000111.1V157 T163 L328 F501P155-V157 PolarHBondContact O-N 3.36Å; P155-T163 HydrophobicContact CB-CG2 3.51Å; P155-T163 HydrophobicContact CG-CG2 4.35Å; P155-L328 HydrophobicContact CG-CB 4.32Å; P155-L328 HydrophobicContact CG-CD1 4.27Å; P155-F501 HydrophobicContact CB-CE2 3.99Å; P155-F501 HydrophobicContact CB-CZ 4.06Å; P155-F501 HydrophobicContact CG-CE1 4.4Å; P155-F501 HydrophobicContact CG-CE2 4.45Å; P155-F501 HydrophobicContact CG-CZ 4.28Å
156P77.3Confident80.2Confident97 Ų9764.7 Ų64.763%0.6334%0.344SS*.PPolyproline II helixtrans-59.5133.8167-17.830.4000110.5F158 S159P156-F158 PolarHBondContact O-N 3.26Å; P156-S159 PolarHBondContact O-N 2.87Å
157V65.9Low80.1Confident93 Ų9367.3 Ų67.356%0.56436%0.36SS*.THydrogen-bonded Turntrans-54.6-16.7-172.7179.10000114.8P155P155-V157 PolarHBondContact O-N 3.36Å
158F58.3Low80Confident203 Ų20367 Ų6789%0.8936%0.364SS*.THydrogen-bonded Turntrans-110.118.2-173.1-57.9-73.1000114.5P156P156-F158 PolarHBondContact O-N 3.26Å
159S54.4Low80Confident29 Ų2968.9 Ų68.920%0.20337%0.373CS..  trans-121.342.7-166.1179.50000114.6P156 S161 K162 T163P156-S159 PolarHBondContact O-N 2.87Å; S159-S161 PolarHBondContact O-N 3.43Å; S159-S161 VanDerWaalsContact O-N 3.15Å; S159-K162 PolarHBondContact O-N 3.05Å; S159-T163 WeakPolarHBondContact O-CG2 3.36Å; S159-T163 PolarHBondContact O-OG1 3.09Å; S159-T163 VanDerWaalsContact O-OG1 3.13Å
160N54.2Low80Confident99 Ų9969.6 Ų69.653%0.52938%0.38SS..THydrogen-bonded Turntrans-65.8-20.1-174.3-66.2-2.4000114.4
161S52.3Low80Confident114 Ų11469.4 Ų69.480%0.79738%0.379SS*.THydrogen-bonded Turntrans-87.5-22.4178.864.30000115S159S159-S161 PolarHBondContact O-N 3.43Å; S159-S161 VanDerWaalsContact O-N 3.15Å
162K54Low80.3Confident170 Ų17065.6 Ų65.674%0.73937%0.365SS*.THydrogen-bonded Turntrans-96.2-14.3-178.4-73.3-173.7177.6-178.60114.4S159S159-K162 PolarHBondContact O-N 3.05Å
163T63.8Low80.4Confident13 Ų1366.3 Ų66.38%0.0837%0.373CS..SBendtrans-91.3-11.4-172.648.10000114.2P155 S159 F501 L504P155-T163 HydrophobicContact CB-CG2 3.51Å; P155-T163 HydrophobicContact CG-CG2 4.35Å; S159-T163 WeakPolarHBondContact O-CG2 3.36Å; S159-T163 PolarHBondContact O-OG1 3.09Å; S159-T163 VanDerWaalsContact O-OG1 3.13Å; T163-F501 HydrophobicContact CG2-CD2 4.23Å; T163-F501 HydrophobicContact CG2-CE2 4.42Å; T163-L504 WeakPolarHBondContact OG1-CD2 3.45Å
164A72Confident80.6Confident62 Ų6266.2 Ų66.251%0.51237%0.372SS..SBendtrans-79.2-14.6178.800000114.1K500 L504A164-K500 VanDerWaalsContact O-CD 3.31Å; A164-K500 WeakPolarHBondContact O-CD 3.48Å; A164-L504 HydrophobicContact CB-CD1 4.04Å
165A87.8Confident80.9Confident60 Ų6063.9 Ų63.950%0.49636%0.363SS..SBendtrans-86.7151.4-178.700000112.2V167A165-V167 PolarHBondContact O-N 2.89Å
166W93.8Very high81.5Confident89 Ų8963.3 Ų63.334%0.33736%0.359SS..  trans-64130.9167-74.899.4000110.3E466 E468 K498 K500W166-E466 HydrophobicContact CH2-CB 3.74Å; W166-E466 HydrophobicContact CZ2-CB 4.25Å; W166-E466 HydrophobicContact CZ3-CB 4.35Å; W166-E468 HydrophobicContact CH2-CB 4.26Å; W166-E468 HydrophobicContact CH2-CG 3.8Å; W166-E468 WeakPolarHBondContact CH2-OE1 3.25Å; W166-E468 WeakPolarHBondContact CZ2-OE1 3.31Å; W166-E468 HydrophobicContact CZ3-CB 4.32Å; W166-E468 HydrophobicContact CZ3-CG 4.35Å; W166-K498 HydrophobicContact CD2-CD 4.13Å; W166-K498 HydrophobicContact CD2-CG 4.33Å; W166-K498 HydrophobicContact CE3-CB 3.73Å; W166-K498 HydrophobicContact CE3-CD 3.87Å; W166-K498 HydrophobicContact CE3-CG 3.56Å; W166-K498 HydrophobicContact CZ3-CB 4.27Å; W166-K498 HydrophobicContact CZ3-CD 4.27Å; W166-K498 HydrophobicContact CZ3-CG 3.76Å; W166-K498 WeakPolarHBondContact CZ3-O 3.37Å; W166-K500 HydrophobicContact CD2-CB 3.82Å; W166-K500 HydrophobicContact CE3-CB 3.83Å; W166-K500 HydrophobicContact CG-CB 4.26Å; W166-K500 HydrophobicContact CZ3-CB 4.23Å
167V95.2Very high82.5Confident63 Ų6362.4 Ų62.438%0.38234%0.343SS..EExtended strand (participates in β ladder)trans-107.1129.4171.9-178.10000108.2A165 K498 Y499A165-V167 PolarHBondContact O-N 2.89Å; V167-K498 CarbonylContact O-C 3.54Å; V167-K498 WeakPolarHBondContact O-CA 3.48Å; V167-Y499 HydrophobicContact CB-CD2 4.42Å; V167-Y499 HydrophobicContact CB-CE1 4.06Å; V167-Y499 HydrophobicContact CB-CE2 3.96Å; V167-Y499 HydrophobicContact CG1-CE1 3.96Å; V167-Y499 HydrophobicContact CG1-CE2 4.34Å; V167-Y499 WeakPolarHBondContact CG1-OH 3.28Å; V167-Y499 HydrophobicContact CG2-CE2 4.38Å; V167-Y499 PolarHBondContact N-O 2.91Å; V167-Y499 PolarHBondContact O-N 2.9Å
168T96.5Very high84.1Confident78 Ų7858 Ų5848%0.47932%0.316SS..EExtended strand (participates in β ladder)trans-101.2127.3173.7-55.20000109V470 E496 F497T168-V470 HydrophobicContact CG2-CG2 3.88Å; T168-E496 HydrophobicContact CG2-CB 4.23Å; T168-F497 WeakPolarHBondContact CA-O 3.27Å
169E96.9Very high86Confident40 Ų4048.4 Ų48.419%0.18727%0.274CS..EExtended strand (participates in β ladder)trans-142.3159.3177.6-164.1179.9163.200109.3M171 S173 F174 R177 F497 Y499E169-M171 PolarHBondContact O-N 2.95Å; E169-S173 PolarHBondContact OE1-OG 3Å; E169-F174 HydrophobicContact CG-CB 4.48Å; E169-F174 WeakPolarHBondContact OE2-CD2 3.46Å; E169-R177 IonicContact OE1-NE 3.27Å; E169-R177 IonicContact OE1-NH2 3.27Å; E169-R177 IonicContact OE2-NH2 3.95Å; E169-R177 PolarHBondContact OE2-NH2 2.86Å; E169-F497 HydrophobicContact CB-CE1 4.42Å; E169-F497 PolarHBondContact N-O 3.43Å; E169-F497 WeakPolarHBondContact O-CD1 3.43Å; E169-F497 PolarHBondContact O-N 2.69Å; E169-F497 VanDerWaalsContact O-O 3.11Å; E169-Y499 HydrophobicContact CB-CE1 4.04Å; E169-Y499 PolarHBondContact OE2-OH 3.36Å
170G98.1Very high88.1Confident16 Ų1647 Ų4717%0.16526%0.264CS..EExtended strand (participates in β ladder)trans-64.7127.8163.700000110.6S173 F174 D494 I495G170-S173 WeakPolarHBondContact O-CB 3.42Å; G170-S173 PolarHBondContact O-N 3.12Å; G170-F174 WeakPolarHBondContact O-CB 3.29Å; G170-F174 PolarHBondContact O-N 2.7Å; G170-D494 VanDerWaalsContact CA-OD2 3.27Å; G170-D494 WeakPolarHBondContact CA-OD2 3.5Å; G170-I495 CarbonylContact C-O 3.57Å; G170-I495 WeakPolarHBondContact CA-O 3.42Å
171M98.6Very high90.2Very high0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-66-41.1-174.9-174-175-64.200111.9E169 F174 C175 F295 L298 F299 I302 L469 D494 I495 F497E169-M171 PolarHBondContact O-N 2.95Å; M171-F174 PolarHBondContact O-N 3.04Å; M171-C175 WeakPolarHBondContact O-CB 3.43Å; M171-C175 PolarHBondContact O-N 2.96Å; M171-C175 PolarHBondContact O-SG 3.43Å; M171-C175 VanDerWaalsContact O-SG 3.38Å; M171-F295 HydrophobicContact CB-CD2 4.24Å; M171-F295 HydrophobicContact CB-CE2 4.05Å; M171-F295 HydrophobicContact CG-CD2 4Å; M171-F295 HydrophobicContact CG-CE2 4.14Å; M171-F295 HydrophobicContact SD-CD2 4.18Å; M171-F295 HydrophobicContact SD-CE2 4.09Å; M171-L298 HydrophobicContact CG-CD2 3.8Å; M171-L298 HydrophobicContact CG-CG 4.47Å; M171-L298 HydrophobicContact SD-CB 4.32Å; M171-L298 HydrophobicContact SD-CD2 3.97Å; M171-L298 HydrophobicContact SD-CG 3.98Å; M171-F299 HydrophobicContact CE-CD2 4.45Å; M171-F299 VanDerWaalsContact SD-CA 3.57Å; M171-F299 HydrophobicContact SD-CB 3.71Å; M171-F299 HydrophobicContact SD-CD2 4.44Å; M171-I302 HydrophobicContact CE-CD1 3.8Å; M171-L469 HydrophobicContact CE-CD2 3.53Å; M171-D494 PolarHBondContact N-OD1 3.35Å; M171-D494 VanDerWaalsContact N-OD1 3.15Å; M171-I495 HydrophobicContact CB-CD1 4.39Å; M171-I495 HydrophobicContact CB-CG1 3.97Å; M171-I495 HydrophobicContact CE-CD1 3.99Å; M171-I495 PolarHBondContact N-O 3.39Å; M171-I495 HydrophobicContact SD-CD1 4.06Å; M171-F497 HydrophobicContact CB-CB 4.49Å; M171-F497 HydrophobicContact CB-CD1 3.66Å; M171-F497 HydrophobicContact CB-CE1 4.17Å; M171-F497 HydrophobicContact CB-CG 4.2Å; M171-F497 HydrophobicContact CE-CB 3.61Å; M171-F497 HydrophobicContact CE-CD1 4.45Å; M171-F497 HydrophobicContact CE-CD2 4.22Å; M171-F497 HydrophobicContact CE-CG 3.85Å; M171-F497 HydrophobicContact CG-CD1 4.11Å; M171-F497 HydrophobicContact CG-CE1 4.38Å; M171-F497 HydrophobicContact CG-CG 4.38Å
172Y98.5Very high92.4Very high45 Ų4538.9 Ų38.918%0.17621%0.21CC..Hα-helixtrans-64.9-42.9174.8-169.8-101.8000110.3F174 C175 Y176 I291 P292 F295 P490 P491 D494Y172-F174 PolarHBondContact O-N 3.46Å; Y172-C175 PolarHBondContact O-N 3.06Å; Y172-Y176 HydrophobicContact CD1-CD2 4.36Å; Y172-Y176 AromaticContact CE1-CD2 3.71Å; Y172-Y176 HydrophobicContact CE1-CD2 3.71Å; Y172-Y176 HydrophobicContact CE1-CE2 4.22Å; Y172-Y176 VanDerWaalsContact O-CB 3.27Å; Y172-Y176 WeakPolarHBondContact O-CB 3.31Å; Y172-Y176 PolarHBondContact O-N 2.87Å; Y172-I291 HydrophobicContact CE2-CG2 4.12Å; Y172-P292 HydrophobicContact CE2-CB 4.08Å; Y172-F295 HydrophobicContact CD2-CB 3.68Å; Y172-F295 HydrophobicContact CD2-CD1 4.14Å; Y172-F295 AromaticContact CD2-CD2 3.94Å; Y172-F295 HydrophobicContact CD2-CD2 3.94Å; Y172-F295 AromaticContact CD2-CG 3.63Å; Y172-F295 HydrophobicContact CD2-CG 3.63Å; Y172-F295 HydrophobicContact CE2-CB 4.26Å; Y172-F295 HydrophobicContact CE2-CG 4.5Å; Y172-F295 HydrophobicContact CG-CD2 4.38Å; Y172-F295 HydrophobicContact CG-CG 4.49Å; Y172-P490 HydrophobicContact CE2-CB 3.88Å; Y172-P491 HydrophobicContact CD2-CG 3.88Å; Y172-P491 HydrophobicContact CE2-CG 4.5Å; Y172-P491 HydrophobicContact CG-CG 4.13Å; Y172-D494 VanDerWaalsContact CB-CG 3.48Å; Y172-D494 WeakPolarHBondContact CB-OD1 3.38Å; Y172-D494 PolarHBondContact N-OD1 2.77Å; Y172-D494 PolarHBondContact N-OD2 3.23Å
173S98.4Very high94.5Very high43 Ų4330.8 Ų30.830%0.30118%0.176SC..Hα-helixtrans-56.6-47172.8-179.80000112.6E169 G170 Y176 R177 D494E169-S173 PolarHBondContact OE1-OG 3Å; G170-S173 WeakPolarHBondContact O-CB 3.42Å; G170-S173 PolarHBondContact O-N 3.12Å; S173-Y176 WeakPolarHBondContact O-CB 3.31Å; S173-Y176 PolarHBondContact O-N 2.74Å; S173-R177 PolarHBondContact O-N 3.47Å; S173-D494 PolarHBondContact N-OD2 3.08Å
174F98.6Very high96.2Very high6 Ų630.2 Ų30.23%0.02617%0.172CC..Hα-helixtrans-60.3-52.4177.9177.8-86.4000111.3E169 G170 M171 Y172 Y176 R177 V178 F457 M461 F497 Y499E169-F174 HydrophobicContact CG-CB 4.48Å; E169-F174 WeakPolarHBondContact OE2-CD2 3.46Å; G170-F174 WeakPolarHBondContact O-CB 3.29Å; G170-F174 PolarHBondContact O-N 2.7Å; M171-F174 PolarHBondContact O-N 3.04Å; Y172-F174 PolarHBondContact O-N 3.46Å; F174-Y176 VanDerWaalsContact C-N 3.28Å; F174-Y176 PolarHBondContact O-N 3.28Å; F174-R177 PolarHBondContact O-N 3.46Å; F174-V178 HydrophobicContact CD1-CG2 4.41Å; F174-V178 HydrophobicContact CE1-CG2 4.04Å; F174-V178 HydrophobicContact CE2-CG2 4.37Å; F174-V178 HydrophobicContact CZ-CG2 4.02Å; F174-V178 WeakPolarHBondContact O-CG2 3.41Å; F174-V178 PolarHBondContact O-N 3.02Å; F174-F457 HydrophobicContact CD1-CE2 4.49Å; F174-F457 HydrophobicContact CD1-CZ 4.16Å; F174-F457 AromaticContact CE1-CE2 3.92Å; F174-F457 HydrophobicContact CE1-CE2 3.92Å; F174-F457 AromaticContact CE1-CZ 3.79Å; F174-F457 HydrophobicContact CE1-CZ 3.79Å; F174-M461 HydrophobicContact CD1-CE 4.45Å; F174-M461 HydrophobicContact CE1-CE 3.68Å; F174-M461 HydrophobicContact CE1-SD 3.53Å; F174-M461 VanDerWaalsContact CE1-SD 3.53Å; F174-M461 HydrophobicContact CZ-CE 4.07Å; F174-M461 HydrophobicContact CZ-SD 3.79Å; F174-F497 HydrophobicContact CB-CE1 3.76Å; F174-F497 HydrophobicContact CB-CZ 4.08Å; F174-F497 HydrophobicContact CD1-CE1 4.43Å; F174-F497 AromaticContact CD1-CZ 3.91Å; F174-F497 HydrophobicContact CD1-CZ 3.91Å; F174-F497 HydrophobicContact CD2-CE1 4.35Å; F174-F497 HydrophobicContact CD2-CZ 4.01Å; F174-F497 HydrophobicContact CE1-CZ 4.37Å; F174-F497 HydrophobicContact CE2-CZ 4.45Å; F174-F497 AromaticContact CG-CE1 3.94Å; F174-F497 HydrophobicContact CG-CE1 3.94Å; F174-F497 AromaticContact CG-CZ 3.73Å; F174-F497 HydrophobicContact CG-CZ 3.73Å; F174-Y499 HydrophobicContact CD2-CD1 4.43Å; F174-Y499 AromaticContact CD2-CE1 3.8Å; F174-Y499 HydrophobicContact CD2-CE1 3.8Å; F174-Y499 HydrophobicContact CE2-CD1 4.4Å; F174-Y499 AromaticContact CE2-CE1 3.93Å; F174-Y499 HydrophobicContact CE2-CE1 3.93Å; F174-Y499 HydrophobicContact CE2-CE2 4.18Å; F174-Y499 AromaticContact CE2-CZ 3.81Å
175C98.8Very high97.4Very high0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-58.1-41.7176.7-72.60000111.5M171 Y172 M179 T294 F295M171-C175 WeakPolarHBondContact O-CB 3.43Å; M171-C175 PolarHBondContact O-N 2.96Å; M171-C175 PolarHBondContact O-SG 3.43Å; M171-C175 VanDerWaalsContact O-SG 3.38Å; Y172-C175 PolarHBondContact O-N 3.06Å; C175-M179 VanDerWaalsContact O-CB 3.23Å; C175-M179 WeakPolarHBondContact O-CB 3.48Å; C175-M179 VanDerWaalsContact O-CG 3.27Å; C175-M179 WeakPolarHBondContact O-CG 3.12Å; C175-M179 PolarHBondContact O-N 3.44Å; C175-T294 HydrophobicContact CB-CG2 4.43Å; C175-F295 HydrophobicContact CB-CB 4.4Å
176Y98.6Very high97.9Very high10 Ų1025 Ų254%0.03913%0.127CC..Hα-helixtrans-59.5-51178.1-152.8-59.7000111.1Y172 S173 F174 F180 L206 F209 K210 I291Y172-Y176 HydrophobicContact CD1-CD2 4.36Å; Y172-Y176 AromaticContact CE1-CD2 3.71Å; Y172-Y176 HydrophobicContact CE1-CD2 3.71Å; Y172-Y176 HydrophobicContact CE1-CE2 4.22Å; Y172-Y176 VanDerWaalsContact O-CB 3.27Å; Y172-Y176 WeakPolarHBondContact O-CB 3.31Å; Y172-Y176 PolarHBondContact O-N 2.87Å; S173-Y176 WeakPolarHBondContact O-CB 3.31Å; S173-Y176 PolarHBondContact O-N 2.74Å; F174-Y176 VanDerWaalsContact C-N 3.28Å; F174-Y176 PolarHBondContact O-N 3.28Å; Y176-F180 HydrophobicContact CD1-CB 4.14Å; Y176-F180 HydrophobicContact CE1-CB 4.35Å; Y176-F180 HydrophobicContact CE1-CD2 4.37Å; Y176-F180 HydrophobicContact CE1-CG 4.48Å; Y176-F180 WeakPolarHBondContact O-CB 3.23Å; Y176-F180 PolarHBondContact O-N 3.02Å; Y176-L206 HydrophobicContact CD1-CD1 4.38Å; Y176-L206 HydrophobicContact CD1-CD2 4.41Å; Y176-L206 HydrophobicContact CD1-CG 4.14Å; Y176-L206 HydrophobicContact CE1-CG 4.26Å; Y176-F209 HydrophobicContact CE1-CD1 4.08Å; Y176-F209 AromaticContact CZ-CD1 3.98Å; Y176-F209 WeakPolarHBondContact OH-CD1 3.4Å; Y176-F209 WeakPolarHBondContact OH-CE1 3.23Å; Y176-K210 VanDerWaalsContact CD1-CE 3.42Å; Y176-K210 HydrophobicContact CD1-CG 4.37Å; Y176-K210 HydrophobicContact CE1-CD 4.22Å; Y176-K210 HydrophobicContact CE1-CG 3.61Å; Y176-K210 HydrophobicContact CE2-CD 4.4Å; Y176-K210 HydrophobicContact CE2-CG 3.81Å; Y176-K210 VanDerWaalsContact CG-CE 3.48Å; Y176-K210 VanDerWaalsContact OH-CG 3.26Å; Y176-K210 WeakPolarHBondContact OH-CG 3.28Å; Y176-I291 HydrophobicContact CD1-CD1 3.89Å; Y176-I291 HydrophobicContact CD2-CD1 4.29Å; Y176-I291 HydrophobicContact CD2-CG2 3.64Å; Y176-I291 HydrophobicContact CE1-CD1 3.74Å; Y176-I291 HydrophobicContact CE2-CD1 4.16Å; Y176-I291 HydrophobicContact CE2-CG2 4.23Å; Y176-I291 HydrophobicContact CG-CD1 4.15Å; Y176-I291 HydrophobicContact CG-CG2 3.88Å
177R98.1Very high98.2Very high77 Ų7720.9 Ų20.929%0.29111%0.112SC..Hα-helixtrans-62.2-50.7-177.7-179173.55474-0.4111.7E169 S173 F174 E181 L206E169-R177 IonicContact OE1-NE 3.27Å; E169-R177 IonicContact OE1-NH2 3.27Å; E169-R177 IonicContact OE2-NH2 3.95Å; E169-R177 PolarHBondContact OE2-NH2 2.86Å; S173-R177 PolarHBondContact O-N 3.47Å; F174-R177 PolarHBondContact O-N 3.46Å; R177-E181 WeakPolarHBondContact O-CB 3.34Å; R177-E181 PolarHBondContact O-N 3.38Å; R177-E181 VanDerWaalsContact O-N 3.15Å; R177-L206 HydrophobicContact CB-CD1 4.24Å; R177-L206 HydrophobicContact CG-CD1 4.36Å
178V98.6Very high98.3Very high2 Ų217.9 Ų17.91%0.0129%0.094CC..Hα-helixtrans-65.7-51.4-177176.10000111.2L149 I152 M153 F174 A182 F457L149-V178 HydrophobicContact CD2-CG1 3.77Å; I152-V178 HydrophobicContact CG2-CG1 4.4Å; I152-V178 HydrophobicContact CG2-CG2 4.42Å; M153-V178 HydrophobicContact CG-CG1 3.69Å; M153-V178 HydrophobicContact CG-CG2 4.44Å; M153-V178 HydrophobicContact SD-CG1 3.86Å; F174-V178 HydrophobicContact CD1-CG2 4.41Å; F174-V178 HydrophobicContact CE1-CG2 4.04Å; F174-V178 HydrophobicContact CE2-CG2 4.37Å; F174-V178 HydrophobicContact CZ-CG2 4.02Å; F174-V178 WeakPolarHBondContact O-CG2 3.41Å; F174-V178 PolarHBondContact O-N 3.02Å; V178-A182 WeakPolarHBondContact O-CB 3.32Å; V178-A182 PolarHBondContact O-N 3.49Å; V178-F457 HydrophobicContact CB-CE2 4.12Å; V178-F457 HydrophobicContact CG1-CD2 3.91Å; V178-F457 HydrophobicContact CG1-CE2 3.82Å
179M98.8Very high98.3Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans-70.8-38.1-175.7-63-56.2-63.700112.4M145 L149 C175 G183 T290 I291 T294 E453 F457M145-M179 HydrophobicContact CE-CE 3.67Å; M145-M179 HydrophobicContact CE-SD 4.4Å; L149-M179 HydrophobicContact CD2-SD 4.06Å; C175-M179 VanDerWaalsContact O-CB 3.23Å; C175-M179 WeakPolarHBondContact O-CB 3.48Å; C175-M179 VanDerWaalsContact O-CG 3.27Å; C175-M179 WeakPolarHBondContact O-CG 3.12Å; C175-M179 PolarHBondContact O-N 3.44Å; M179-G183 PolarHBondContact O-N 2.99Å; M179-T290 HydrophobicContact CE-CG2 3.56Å; M179-I291 HydrophobicContact CB-CG1 4.22Å; M179-T294 HydrophobicContact CG-CG2 3.82Å; M179-T294 HydrophobicContact SD-CG2 4.01Å; M179-E453 HydrophobicContact CE-CB 4.1Å; M179-E453 HydrophobicContact CE-CG 3.92Å; M179-F457 HydrophobicContact CG-CD2 4.42Å; M179-F457 HydrophobicContact SD-CB 3.8Å; M179-F457 HydrophobicContact SD-CD2 3.56Å; M179-F457 VanDerWaalsContact SD-CD2 3.56Å; M179-F457 HydrophobicContact SD-CE2 4.35Å; M179-F457 HydrophobicContact SD-CG 3.81Å
180F98.8Very high98.2Very high0 Ų014.3 Ų14.30%07%0.07CC..Hα-helixtrans-63-50.6177.1-177.6-92.2000111.1Y176 Y184 N205 L206 F209 L283 Q287 I291Y176-F180 HydrophobicContact CD1-CB 4.14Å; Y176-F180 HydrophobicContact CE1-CB 4.35Å; Y176-F180 HydrophobicContact CE1-CD2 4.37Å; Y176-F180 HydrophobicContact CE1-CG 4.48Å; Y176-F180 WeakPolarHBondContact O-CB 3.23Å; Y176-F180 PolarHBondContact O-N 3.02Å; F180-Y184 HydrophobicContact CE1-CD2 4.42Å; F180-Y184 HydrophobicContact CZ-CD2 4.21Å; F180-Y184 WeakPolarHBondContact O-CB 3.39Å; F180-Y184 PolarHBondContact O-N 3.06Å; F180-N205 HydrophobicContact CE1-CB 4.16Å; F180-N205 HydrophobicContact CZ-CB 4.29Å; F180-L206 HydrophobicContact CB-CD1 4.41Å; F180-L206 HydrophobicContact CD1-CB 3.67Å; F180-L206 HydrophobicContact CD1-CD1 4.18Å; F180-L206 HydrophobicContact CD1-CG 4.01Å; F180-L206 VanDerWaalsContact CE1-CA 3.42Å; F180-L206 HydrophobicContact CE1-CB 3.74Å; F180-L206 HydrophobicContact CG-CB 4.45Å; F180-L206 HydrophobicContact CG-CG 4.36Å; F180-F209 HydrophobicContact CD2-CB 4.42Å; F180-F209 AromaticContact CD2-CD1 3.67Å; F180-F209 HydrophobicContact CD2-CD1 3.67Å; F180-F209 HydrophobicContact CD2-CE1 4.25Å; F180-F209 HydrophobicContact CD2-CG 4.14Å; F180-F209 HydrophobicContact CE2-CB 3.51Å; F180-F209 AromaticContact CE2-CD1 3.44Å; F180-F209 HydrophobicContact CE2-CD1 3.44Å; F180-F209 VanDerWaalsContact CE2-CD1 3.44Å; F180-F209 HydrophobicContact CE2-CD2 4.13Å; F180-F209 HydrophobicContact CE2-CE1 4.24Å; F180-F209 AromaticContact CE2-CG 3.41Å; F180-F209 HydrophobicContact CE2-CG 3.41Å; F180-F209 VanDerWaalsContact CE2-CG 3.41Å; F180-F209 HydrophobicContact CZ-CB 3.78Å; F180-F209 HydrophobicContact CZ-CG 4.18Å; F180-L283 HydrophobicContact CE2-CD1 4.13Å; F180-L283 HydrophobicContact CZ-CD1 4.5Å; F180-Q287 HydrophobicContact CD2-CB 4.44Å; F180-Q287 HydrophobicContact CD2-CG 4.01Å; F180-Q287 HydrophobicContact CE2-CG 4.31Å; F180-Q287 PolarHBondContact O-NE2 2.97Å; F180-I291 HydrophobicContact CB-CD1 4.34Å
181E98.4Very high97.7Very high42 Ų4214.9 Ų14.920%0.1967%0.069CC..Hα-helixtrans-63.5-48.4-180-176.6170.2-178.600111.2I152 R177 G183 Y184 L185 I202I152-E181 HydrophobicContact CD1-CB 3.89Å; I152-E181 HydrophobicContact CD1-CG 3.57Å; I152-E181 HydrophobicContact CG1-CG 4Å; R177-E181 WeakPolarHBondContact O-CB 3.34Å; R177-E181 PolarHBondContact O-N 3.38Å; R177-E181 VanDerWaalsContact O-N 3.15Å; E181-G183 PolarHBondContact O-N 2.97Å; E181-Y184 PolarHBondContact O-N 3.41Å; E181-L185 HydrophobicContact CG-CD1 4.13Å; E181-L185 VanDerWaalsContact O-CG 3.29Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 2.96Å; E181-I202 HydrophobicContact CB-CG2 3.88Å; E181-I202 HydrophobicContact CG-CG1 4.42Å; E181-I202 HydrophobicContact CG-CG2 3.62Å
182A98.6Very high96.7Very high0 Ų017.8 Ų17.80%08%0.084CC..Hα-helixtrans-62.1-47.3-179.300000111.9M145 N148 L149 I152 V178 T186M145-A182 HydrophobicContact CE-CB 3.58Å; M145-A182 HydrophobicContact SD-CB 3.78Å; N148-A182 HydrophobicContact CB-CB 4.43Å; L149-A182 HydrophobicContact CD2-CB 3.63Å; L149-A182 HydrophobicContact CG-CB 3.89Å; I152-A182 HydrophobicContact CD1-CB 3.6Å; I152-A182 VanDerWaalsContact CD1-N 3.29Å; V178-A182 WeakPolarHBondContact O-CB 3.32Å; V178-A182 PolarHBondContact O-N 3.49Å; A182-T186 VanDerWaalsContact O-CB 3.26Å; A182-T186 WeakPolarHBondContact O-CB 3.49Å; A182-T186 PolarHBondContact O-N 3.31Å; A182-T186 PolarHBondContact O-OG1 3.3Å
183G98.6Very high95.7Very high1 Ų121 Ų211%0.0111%0.108CC..Hα-helixtrans-68.9-36.4178.700000112.4M179 E181 T186 I187M179-G183 PolarHBondContact O-N 2.99Å; E181-G183 PolarHBondContact O-N 2.97Å; G183-T186 PolarHBondContact O-N 3.42Å; G183-I187 WeakPolarHBondContact O-CB 3.44Å; G183-I187 VanDerWaalsContact O-CG1 3.23Å; G183-I187 WeakPolarHBondContact O-CG1 3.21Å; G183-I187 PolarHBondContact O-N 3.47Å
184Y98.6Very high94.4Very high1 Ų125.1 Ų25.10%0.00412%0.117CC..Hα-helixtrans-62.1-49.4175.5-174.1-84.8000111.2F180 E181 T186 I187 F188 I202 N205 L242 R250 L283F180-Y184 HydrophobicContact CE1-CD2 4.42Å; F180-Y184 HydrophobicContact CZ-CD2 4.21Å; F180-Y184 WeakPolarHBondContact O-CB 3.39Å; F180-Y184 PolarHBondContact O-N 3.06Å; E181-Y184 PolarHBondContact O-N 3.41Å; Y184-T186 VanDerWaalsContact C-N 3.32Å; Y184-T186 PolarHBondContact O-N 3.49Å; Y184-I187 PolarHBondContact O-N 2.98Å; Y184-F188 AromaticContact CD2-CD2 3.99Å; Y184-F188 HydrophobicContact CD2-CD2 3.99Å; Y184-F188 HydrophobicContact CE1-CB 4.39Å; Y184-F188 HydrophobicContact CE2-CD2 4.16Å; Y184-F188 HydrophobicContact CG-CD2 4.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.2Å; Y184-F188 PolarHBondContact O-N 2.87Å; Y184-I202 HydrophobicContact CD1-CD1 3.62Å; Y184-I202 HydrophobicContact CE1-CD1 4.02Å; Y184-I202 HydrophobicContact CG-CD1 4.35Å; Y184-N205 PolarHBondContact OH-ND2 3.23Å; Y184-L242 HydrophobicContact CE2-CD2 4.31Å; Y184-R250 PolarHBondContact OH-NH1 3Å; Y184-R250 PolarHBondContact OH-NH2 3.44Å; Y184-L283 HydrophobicContact CD2-CD1 3.72Å; Y184-L283 HydrophobicContact CD2-CD2 4.36Å; Y184-L283 HydrophobicContact CE2-CD1 4.34Å; Y184-L283 HydrophobicContact CE2-CD2 4.25Å
185L98Very high93.1Very high11 Ų1130.9 Ų30.96%0.05814%0.144CC..Hα-helixtrans-67.5-32.3179.6-63.7-179.4000112.6E181 G189 R190 I202E181-L185 HydrophobicContact CG-CD1 4.13Å; E181-L185 VanDerWaalsContact O-CG 3.29Å; E181-L185 WeakPolarHBondContact O-CG 3.36Å; E181-L185 PolarHBondContact O-N 2.96Å; L185-G189 CarbonylContact O-C 3.57Å; L185-G189 WeakPolarHBondContact O-CA 3.4Å; L185-G189 PolarHBondContact O-N 3.37Å; L185-R190 HydrophobicContact CB-CG 4.14Å; L185-R190 HydrophobicContact CD1-CG 4.31Å; L185-R190 HydrophobicContact CD2-CG 3.9Å; L185-R190 HydrophobicContact CG-CG 4.33Å; L185-I202 HydrophobicContact CD2-CD1 3.91Å; L185-I202 HydrophobicContact CG-CD1 4.45Å
186T98.6Very high91.7Very high1 Ų138.8 Ų38.81%0.00619%0.186CC..Hα-helixtrans-70-43.3176.6-60.70000112L141 M145 N148 A182 G183 Y184 F449L141-T186 HydrophobicContact CD1-CG2 3.7Å; L141-T186 HydrophobicContact CG-CG2 4.04Å; M145-T186 WeakPolarHBondContact CA-OG1 3.39Å; M145-T186 HydrophobicContact CB-CG2 4.05Å; M145-T186 PolarHBondContact SD-OG1 2.84Å; N148-T186 PolarHBondContact ND2-N 3.4Å; N148-T186 PolarHBondContact ND2-OG1 3.36Å; A182-T186 VanDerWaalsContact O-CB 3.26Å; A182-T186 WeakPolarHBondContact O-CB 3.49Å; A182-T186 PolarHBondContact O-N 3.31Å; A182-T186 PolarHBondContact O-OG1 3.3Å; G183-T186 PolarHBondContact O-N 3.42Å; Y184-T186 VanDerWaalsContact C-N 3.32Å; Y184-T186 PolarHBondContact O-N 3.49Å; T186-F449 HydrophobicContact CG2-CE2 4.46Å; T186-F449 HydrophobicContact CG2-CZ 4.02Å
187I98.6Very high90.9Very high3 Ų341.3 Ų41.32%0.01520%0.203CC..Hα-helixtrans-80.9-45.2-177-61.9-71.8000111.1L141 G183 Y184 S254 I257 V282 F449L141-I187 HydrophobicContact CD1-CD1 4.11Å; L141-I187 HydrophobicContact CD2-CD1 4.2Å; G183-I187 WeakPolarHBondContact O-CB 3.44Å; G183-I187 VanDerWaalsContact O-CG1 3.23Å; G183-I187 WeakPolarHBondContact O-CG1 3.21Å; G183-I187 PolarHBondContact O-N 3.47Å; Y184-I187 PolarHBondContact O-N 2.98Å; I187-S254 VanDerWaalsContact O-CB 3.26Å; I187-S254 WeakPolarHBondContact O-CB 3.48Å; I187-S254 PolarHBondContact O-N 2.94Å; I187-S254 VanDerWaalsContact O-N 3.16Å; I187-S254 PolarHBondContact O-OG 3.15Å; I187-I257 HydrophobicContact CG2-CD1 4.01Å; I187-I257 HydrophobicContact CG2-CG1 3.58Å; I187-I257 VanDerWaalsContact O-CG1 3.31Å; I187-I257 WeakPolarHBondContact O-CG1 3.18Å; I187-V282 HydrophobicContact CG2-CG1 4.16Å; I187-F449 HydrophobicContact CD1-CE1 4.5Å
188F98.4Very high90Very high0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-106.12.6-169.5-60.4-79.6000114.2Y184 L242 L247 R250 I257 H279 V282 L283Y184-F188 AromaticContact CD2-CD2 3.99Å; Y184-F188 HydrophobicContact CD2-CD2 3.99Å; Y184-F188 HydrophobicContact CE1-CB 4.39Å; Y184-F188 HydrophobicContact CE2-CD2 4.16Å; Y184-F188 HydrophobicContact CG-CD2 4.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.2Å; Y184-F188 PolarHBondContact O-N 2.87Å; F188-L242 HydrophobicContact CD1-CD2 3.67Å; F188-L242 HydrophobicContact CE1-CD2 3.84Å; F188-L242 HydrophobicContact CG-CD2 4.07Å; F188-L242 HydrophobicContact CZ-CD2 4.39Å; F188-L247 HydrophobicContact CB-CD2 4.3Å; F188-L247 HydrophobicContact CD1-CD2 4.05Å; F188-R250 WeakPolarHBondContact O-CD 3.46Å; F188-I257 HydrophobicContact CD1-CD1 3.99Å; F188-I257 HydrophobicContact CD1-CG1 3.84Å; F188-I257 HydrophobicContact CD1-CG2 4.3Å; F188-I257 HydrophobicContact CE1-CD1 3.42Å; F188-I257 VanDerWaalsContact CE1-CD1 3.42Å; F188-I257 HydrophobicContact CE1-CG1 3.8Å; F188-I257 HydrophobicContact CZ-CD1 4.05Å; F188-H279 HydrophobicContact CE1-CB 4.14Å; F188-V282 HydrophobicContact CZ-CG1 4.44Å; F188-L283 HydrophobicContact CD2-CD1 4.4Å; F188-L283 HydrophobicContact CE2-CB 3.75Å; F188-L283 HydrophobicContact CE2-CD1 3.7Å; F188-L283 HydrophobicContact CE2-CG 4.28Å; F188-L283 HydrophobicContact CZ-CB 3.71Å
189G96.9Very high89.3Confident0 Ų046.7 Ų46.70%023%0.229CC..  trans76.4-178.3179.600000114.1L185 E251L185-G189 CarbonylContact O-C 3.57Å; L185-G189 WeakPolarHBondContact O-CA 3.4Å; L185-G189 PolarHBondContact O-N 3.37Å; G189-E251 CarbonylContact C-O 3.52Å; G189-E251 WeakPolarHBondContact CA-O 3.37Å
190R93.1Very high88.7Confident43 Ų4349.2 Ų49.216%0.16225%0.25CS..BIsolated β-bridgetrans-114.4138.8-178.5-69.5168.7-68.8161.8-3.3110.3R151 L185 L192 R250 E251 S252R151-R190 VanDerWaalsContact NH1-CZ 3.3Å; L185-R190 HydrophobicContact CB-CG 4.14Å; L185-R190 HydrophobicContact CD1-CG 4.31Å; L185-R190 HydrophobicContact CD2-CG 3.9Å; L185-R190 HydrophobicContact CG-CG 4.33Å; R190-L192 HydrophobicContact CB-CD2 4.14Å; R190-L192 PolarHBondContact O-N 3.46Å; R190-R250 CarbonylContact O-C 3.52Å; R190-R250 VanDerWaalsContact O-CA 3.27Å; R190-R250 WeakPolarHBondContact O-CA 3.23Å; R190-E251 PolarHBondContact N-O 3.14Å; R190-E251 PolarHBondContact O-N 2.93Å; R190-S252 PolarHBondContact NH2-OG 3.33Å
191D88.3Confident88.3Confident28 Ų2852.9 Ų52.915%0.1527%0.267CS..  trans-90.499.7170.7-176.5-4.7000109.2T193 R250D191-T193 VanDerWaalsContact C-N 3.28Å; D191-T193 WeakPolarHBondContact OD1-CB 3.19Å; D191-T193 PolarHBondContact OD1-N 3.02Å; D191-T193 PolarHBondContact OD1-OG1 3.31Å; D191-R250 HydrophobicContact CB-CG 4.3Å
192L78.6Confident88Confident61 Ų6151.2 Ų51.232%0.31926%0.259SS..G310 helixtrans-78.4-12.3180-59.1-168.3000113.1R190 R194 E251R190-L192 HydrophobicContact CB-CD2 4.14Å; R190-L192 PolarHBondContact O-N 3.46Å; L192-R194 PolarHBondContact O-N 3Å; L192-E251 HydrophobicContact CD1-CB 4.49Å; L192-E251 HydrophobicContact CD1-CG 4.31Å; L192-E251 WeakPolarHBondContact CD1-OE2 3.48Å; L192-E251 HydrophobicContact CG-CG 4.46Å
193T77.6Confident87.6Confident111 Ų11155.5 Ų55.568%0.68128%0.282SS*.G310 helixtrans-75.9-15.4179.170.90000112.7D191D191-T193 VanDerWaalsContact C-N 3.28Å; D191-T193 WeakPolarHBondContact OD1-CB 3.19Å; D191-T193 PolarHBondContact OD1-N 3.02Å; D191-T193 PolarHBondContact OD1-OG1 3.31Å
194R70.9Confident87.4Confident130 Ų13060 Ų6049%0.49131%0.306SS..G310 helixtrans-131.335.2-168.8-79-170-176.6-162.52.9113.3L192 D196 T197 Q198 H201L192-R194 PolarHBondContact O-N 3Å; R194-D196 PolarHBondContact O-N 3.13Å; R194-D196 VanDerWaalsContact O-N 3.1Å; R194-T197 WeakPolarHBondContact CB-OG1 3.17Å; R194-T197 CarbonylContact O-C 3.54Å; R194-T197 PolarHBondContact O-N 2.69Å; R194-T197 PolarHBondContact O-OG1 3.15Å; R194-Q198 WeakPolarHBondContact O-CB 3.34Å; R194-Q198 PolarHBondContact O-N 3.29Å; R194-H201 PolarHBondContact NH1-NE2 3.45Å
195Q70.3Confident87.4Confident128 Ų12860.5 Ų60.560%0.59831%0.308SS*.Hα-helixtrans-49.7-41.9-175.7-72.5-178.9-3.200113.4T197 Q198Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 3.49Å; Q195-Q198 PolarHBondContact O-N 2.85Å
196D69.9Low87.3Confident165 Ų16560.7 Ų60.788%0.88231%0.309SS*.Hα-helixtrans-66.5-28.5179.2-61.6-32.3000114R194R194-D196 PolarHBondContact O-N 3.13Å; R194-D196 VanDerWaalsContact O-N 3.1Å
197T80.6Confident87.3Confident64 Ų6464.4 Ų64.439%0.39333%0.329SS..Hα-helixtrans-104.9-8.3-17960.80000113.2R194 Q195 K199 A200 H201R194-T197 WeakPolarHBondContact CB-OG1 3.17Å; R194-T197 CarbonylContact O-C 3.54Å; R194-T197 PolarHBondContact O-N 2.69Å; R194-T197 PolarHBondContact O-OG1 3.15Å; Q195-T197 VanDerWaalsContact C-N 3.31Å; Q195-T197 PolarHBondContact O-N 3.49Å; T197-K199 VanDerWaalsContact C-N 3.3Å; T197-K199 PolarHBondContact O-N 3.15Å; T197-A200 PolarHBondContact O-N 3.25Å; T197-A200 VanDerWaalsContact O-N 3.12Å; T197-H201 PolarHBondContact O-CD2 3.07Å; T197-H201 VanDerWaalsContact O-CD2 3.28Å; T197-H201 PolarHBondContact O-N 2.97Å
198Q80.6Confident87.3Confident38 Ų3865.1 Ų65.118%0.17833%0.333CS..Hα-helixtrans-58.5-42.6-177.9-174.2178.2-1.800111.3R194 Q195 A200 H201 I202R194-Q198 WeakPolarHBondContact O-CB 3.34Å; R194-Q198 PolarHBondContact O-N 3.29Å; Q195-Q198 PolarHBondContact O-N 2.85Å; Q198-A200 PolarHBondContact O-N 3.37Å; Q198-H201 PolarHBondContact O-N 3.31Å; Q198-I202 WeakPolarHBondContact O-CG1 3.44Å; Q198-I202 PolarHBondContact O-N 2.82Å
199K82.3Confident87.3Confident153 Ų15365.1 Ų65.167%0.66533%0.333SS*.Hα-helixtrans-60.1-44177.2-170.2175-176.9176.40112.1T197 I202 L203T197-K199 VanDerWaalsContact C-N 3.3Å; T197-K199 PolarHBondContact O-N 3.15Å; K199-I202 PolarHBondContact O-N 3Å; K199-L203 HydrophobicContact CG-CD1 4.46Å; K199-L203 WeakPolarHBondContact O-CG 3.42Å; K199-L203 PolarHBondContact O-N 2.96Å
200A87.2Confident87.4Confident54 Ų5468.4 Ų68.445%0.44635%0.348SS..Hα-helixtrans-65.6-40.3176.400000111.7T197 Q198 L203 N204T197-A200 PolarHBondContact O-N 3.25Å; T197-A200 VanDerWaalsContact O-N 3.12Å; Q198-A200 PolarHBondContact O-N 3.37Å; A200-L203 PolarHBondContact O-N 2.9Å; A200-N204 WeakPolarHBondContact O-CB 3.32Å; A200-N204 VanDerWaalsContact O-CG 3.28Å; A200-N204 PolarHBondContact O-N 3.03Å; A200-N204 PolarHBondContact O-ND2 2.74Å
201H89.5Confident87.6Confident76 Ų7669.1 Ų69.135%0.35235%0.353SS..Hα-helixtrans-62.5-43.4175.2-79.2-59.1000112.8R194 T197 Q198 N204 N205R194-H201 PolarHBondContact NH1-NE2 3.45Å; T197-H201 PolarHBondContact O-CD2 3.07Å; T197-H201 VanDerWaalsContact O-CD2 3.28Å; T197-H201 PolarHBondContact O-N 2.97Å; Q198-H201 PolarHBondContact O-N 3.31Å; H201-N204 PolarHBondContact O-N 3.25Å; H201-N205 WeakPolarHBondContact O-CB 3.21Å; H201-N205 PolarHBondContact O-N 2.91Å
202I91.9Very high88.1Confident7 Ų767.8 Ų67.84%0.03635%0.345CS..Hα-helixtrans-63.2-45.1175.7-70.1-62000111.2E181 Y184 L185 Q198 K199 N204 N205 L206E181-I202 HydrophobicContact CB-CG2 3.88Å; E181-I202 HydrophobicContact CG-CG1 4.42Å; E181-I202 HydrophobicContact CG-CG2 3.62Å; Y184-I202 HydrophobicContact CD1-CD1 3.62Å; Y184-I202 HydrophobicContact CE1-CD1 4.02Å; Y184-I202 HydrophobicContact CG-CD1 4.35Å; L185-I202 HydrophobicContact CD2-CD1 3.91Å; L185-I202 HydrophobicContact CG-CD1 4.45Å; Q198-I202 WeakPolarHBondContact O-CG1 3.44Å; Q198-I202 PolarHBondContact O-N 2.82Å; K199-I202 PolarHBondContact O-N 3Å; I202-N204 VanDerWaalsContact C-N 3.32Å; I202-N204 PolarHBondContact O-N 3.3Å; I202-N205 PolarHBondContact O-N 3.18Å; I202-L206 WeakPolarHBondContact O-CB 3.45Å; I202-L206 PolarHBondContact O-N 3.19Å
203L91.1Very high89.1Confident90 Ų9065.5 Ų65.547%0.47133%0.334SS..Hα-helixtrans-59.8-43177.1-73.7170.5000111.8K199 A200 L206 D207K199-L203 HydrophobicContact CG-CD1 4.46Å; K199-L203 WeakPolarHBondContact O-CG 3.42Å; K199-L203 PolarHBondContact O-N 2.96Å; A200-L203 PolarHBondContact O-N 2.9Å; L203-L206 PolarHBondContact O-N 3.23Å; L203-D207 PolarHBondContact O-N 3.16Å
204N95.1Very high90Very high96 Ų9667.7 Ų67.751%0.51333%0.334SS..Hα-helixtrans-63.2-43.8175.3-73.6-24.6000111.9A200 H201 I202 L206 D207 N208A200-N204 WeakPolarHBondContact O-CB 3.32Å; A200-N204 VanDerWaalsContact O-CG 3.28Å; A200-N204 PolarHBondContact O-N 3.03Å; A200-N204 PolarHBondContact O-ND2 2.74Å; H201-N204 PolarHBondContact O-N 3.25Å; I202-N204 VanDerWaalsContact C-N 3.32Å; I202-N204 PolarHBondContact O-N 3.3Å; N204-L206 VanDerWaalsContact C-N 3.32Å; N204-L206 PolarHBondContact O-N 3.19Å; N204-D207 PolarHBondContact O-N 3.04Å; N204-N208 WeakPolarHBondContact O-CB 3.44Å; N204-N208 VanDerWaalsContact O-CG 3.22Å; N204-N208 PolarHBondContact O-N 3.47Å; N204-N208 PolarHBondContact O-ND2 3.35Å
205N97.1Very high91.3Very high11 Ų1162.4 Ų62.46%0.05932%0.316CS..Hα-helixtrans-65.1-38177.1-74.6-16000111.9F180 Y184 H201 I202 F209 L238F180-N205 HydrophobicContact CE1-CB 4.16Å; F180-N205 HydrophobicContact CZ-CB 4.29Å; Y184-N205 PolarHBondContact OH-ND2 3.23Å; H201-N205 WeakPolarHBondContact O-CB 3.21Å; H201-N205 PolarHBondContact O-N 2.91Å; I202-N205 PolarHBondContact O-N 3.18Å; N205-F209 VanDerWaalsContact O-CB 3.22Å; N205-F209 WeakPolarHBondContact O-CB 3.32Å; N205-F209 PolarHBondContact O-N 3.44Å; N205-L238 HydrophobicContact CB-CD2 4.26Å
206L97.7Very high92.6Very high15 Ų1556.8 Ų56.88%0.07929%0.289CS..Hα-helixtrans-63-49.1176.2-178.4159.4000111Y176 R177 F180 I202 L203 N204 F209 K210Y176-L206 HydrophobicContact CD1-CD1 4.38Å; Y176-L206 HydrophobicContact CD1-CD2 4.41Å; Y176-L206 HydrophobicContact CD1-CG 4.14Å; Y176-L206 HydrophobicContact CE1-CG 4.26Å; R177-L206 HydrophobicContact CB-CD1 4.24Å; R177-L206 HydrophobicContact CG-CD1 4.36Å; F180-L206 HydrophobicContact CB-CD1 4.41Å; F180-L206 HydrophobicContact CD1-CB 3.67Å; F180-L206 HydrophobicContact CD1-CD1 4.18Å; F180-L206 HydrophobicContact CD1-CG 4.01Å; F180-L206 VanDerWaalsContact CE1-CA 3.42Å; F180-L206 HydrophobicContact CE1-CB 3.74Å; F180-L206 HydrophobicContact CG-CB 4.45Å; F180-L206 HydrophobicContact CG-CG 4.36Å; I202-L206 WeakPolarHBondContact O-CB 3.45Å; I202-L206 PolarHBondContact O-N 3.19Å; L203-L206 PolarHBondContact O-N 3.23Å; N204-L206 VanDerWaalsContact C-N 3.32Å; N204-L206 PolarHBondContact O-N 3.19Å; L206-F209 PolarHBondContact O-N 3.34Å; L206-K210 HydrophobicContact CD2-CD 3.79Å; L206-K210 VanDerWaalsContact CD2-CE 3.49Å; L206-K210 HydrophobicContact CD2-CG 4.37Å; L206-K210 PolarHBondContact O-N 3.16Å
207D97.9Very high93.8Very high79 Ų7950.4 Ų50.442%0.42226%0.257SS..Hα-helixtrans-64.2-46.9177.9-179.559.4000111.3L203 N204 F209 K210 Q211L203-D207 PolarHBondContact O-N 3.16Å; N204-D207 PolarHBondContact O-N 3.04Å; D207-F209 PolarHBondContact O-N 3.13Å; D207-K210 WeakPolarHBondContact O-CB 3.38Å; D207-K210 PolarHBondContact O-N 2.86Å; D207-K210 VanDerWaalsContact O-N 3.1Å; D207-Q211 WeakPolarHBondContact O-CG 3.29Å; D207-Q211 PolarHBondContact O-N 3.44Å; D207-Q211 PolarHBondContact OD1-NE2 3.06Å
208N98.6Very high94.4Very high19 Ų1948.4 Ų48.410%0.10225%0.247CC..Hα-helixtrans-57.9-40.4176.3-71.7-45.3000111.4N204 Q211 F212 A234 L238N204-N208 WeakPolarHBondContact O-CB 3.44Å; N204-N208 VanDerWaalsContact O-CG 3.22Å; N204-N208 PolarHBondContact O-N 3.47Å; N204-N208 PolarHBondContact O-ND2 3.35Å; N208-Q211 PolarHBondContact O-N 3.49Å; N208-F212 WeakPolarHBondContact O-CB 3.41Å; N208-F212 PolarHBondContact O-N 3.37Å; N208-A234 HydrophobicContact CB-CB 3.91Å; N208-A234 WeakPolarHBondContact O-CB 3.49Å; N208-L238 HydrophobicContact CB-CD1 4.14Å; N208-L238 HydrophobicContact CB-CD2 3.99Å; N208-L238 HydrophobicContact CB-CG 3.76Å
209F98.8Very high95Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-64.2-44176.8-176.4-106.3000111.7Y176 F180 N205 L206 D207 Q211 F212 D213 L238 L283 W284 Q287 I291Y176-F209 HydrophobicContact CE1-CD1 4.08Å; Y176-F209 AromaticContact CZ-CD1 3.98Å; Y176-F209 WeakPolarHBondContact OH-CD1 3.4Å; Y176-F209 WeakPolarHBondContact OH-CE1 3.23Å; F180-F209 HydrophobicContact CD2-CB 4.42Å; F180-F209 AromaticContact CD2-CD1 3.67Å; F180-F209 HydrophobicContact CD2-CD1 3.67Å; F180-F209 HydrophobicContact CD2-CE1 4.25Å; F180-F209 HydrophobicContact CD2-CG 4.14Å; F180-F209 HydrophobicContact CE2-CB 3.51Å; F180-F209 AromaticContact CE2-CD1 3.44Å; F180-F209 HydrophobicContact CE2-CD1 3.44Å; F180-F209 VanDerWaalsContact CE2-CD1 3.44Å; F180-F209 HydrophobicContact CE2-CD2 4.13Å; F180-F209 HydrophobicContact CE2-CE1 4.24Å; F180-F209 AromaticContact CE2-CG 3.41Å; F180-F209 HydrophobicContact CE2-CG 3.41Å; F180-F209 VanDerWaalsContact CE2-CG 3.41Å; F180-F209 HydrophobicContact CZ-CB 3.78Å; F180-F209 HydrophobicContact CZ-CG 4.18Å; N205-F209 VanDerWaalsContact O-CB 3.22Å; N205-F209 WeakPolarHBondContact O-CB 3.32Å; N205-F209 PolarHBondContact O-N 3.44Å; L206-F209 PolarHBondContact O-N 3.34Å; D207-F209 PolarHBondContact O-N 3.13Å; F209-Q211 PolarHBondContact O-N 3.04Å; F209-F212 PolarHBondContact O-N 3.44Å; F209-D213 HydrophobicContact CE1-CB 4.45Å; F209-D213 HydrophobicContact CZ-CB 4.41Å; F209-D213 VanDerWaalsContact O-CB 3.23Å; F209-D213 WeakPolarHBondContact O-CB 3.39Å; F209-D213 PolarHBondContact O-N 2.95Å; F209-L238 HydrophobicContact CB-CD1 4.28Å; F209-L238 HydrophobicContact CB-CD2 4.49Å; F209-L238 HydrophobicContact CD2-CD1 4.48Å; F209-L283 HydrophobicContact CD2-CD2 4.27Å; F209-L283 HydrophobicContact CD2-CG 4.29Å; F209-L283 HydrophobicContact CE2-CG 4.37Å; F209-W284 HydrophobicContact CE2-CB 4.15Å; F209-W284 AromaticContact CE2-CD1 3.88Å; F209-W284 HydrophobicContact CE2-CG 4.35Å; F209-Q287 HydrophobicContact CE1-CB 3.74Å; F209-Q287 HydrophobicContact CE2-CB 4.43Å; F209-Q287 HydrophobicContact CZ-CB 3.63Å; F209-I291 HydrophobicContact CE1-CD1 4.34Å
210K98.2Very high95.4Very high69 Ų6941.7 Ų41.730%0.322%0.221SC..Hα-helixtrans-56.6-47.7172.8-76.6179.9176.9-178.90112Y176 L206 D207 K214Y176-K210 VanDerWaalsContact CD1-CE 3.42Å; Y176-K210 HydrophobicContact CD1-CG 4.37Å; Y176-K210 HydrophobicContact CE1-CD 4.22Å; Y176-K210 HydrophobicContact CE1-CG 3.61Å; Y176-K210 HydrophobicContact CE2-CD 4.4Å; Y176-K210 HydrophobicContact CE2-CG 3.81Å; Y176-K210 VanDerWaalsContact CG-CE 3.48Å; Y176-K210 VanDerWaalsContact OH-CG 3.26Å; Y176-K210 WeakPolarHBondContact OH-CG 3.28Å; L206-K210 HydrophobicContact CD2-CD 3.79Å; L206-K210 VanDerWaalsContact CD2-CE 3.49Å; L206-K210 HydrophobicContact CD2-CG 4.37Å; L206-K210 PolarHBondContact O-N 3.16Å; D207-K210 WeakPolarHBondContact O-CB 3.38Å; D207-K210 PolarHBondContact O-N 2.86Å; D207-K210 VanDerWaalsContact O-N 3.1Å; K210-K214 VanDerWaalsContact O-CB 3.28Å; K210-K214 WeakPolarHBondContact O-CB 3.42Å; K210-K214 PolarHBondContact O-N 3.29Å
211Q98.4Very high95.4Very high57 Ų5740.8 Ų40.827%0.26621%0.214SC..Hα-helixtrans-64.5-41.2-179.1-62.5-54.6-33.400112.3D207 N208 F209 T230 A231 A234D207-Q211 WeakPolarHBondContact O-CG 3.29Å; D207-Q211 PolarHBondContact O-N 3.44Å; D207-Q211 PolarHBondContact OD1-NE2 3.06Å; N208-Q211 PolarHBondContact O-N 3.49Å; F209-Q211 PolarHBondContact O-N 3.04Å; Q211-T230 HydrophobicContact CB-CG2 4.42Å; Q211-T230 HydrophobicContact CG-CG2 4.12Å; Q211-A231 VanDerWaalsContact O-CB 3.29Å; Q211-A231 WeakPolarHBondContact O-CB 3.34Å; Q211-A234 HydrophobicContact CB-CB 3.81Å
212F98.7Very high95.3Very high0 Ų038.6 Ų38.60%021%0.212CC..Hα-helixtrans-68.8-48.4176.8171.6-118.3000111.9F109 N208 F209 K214 V215 F216 L219 I225 R235 L238F109-F212 AromaticContact CD1-CE1 3.98Å; F109-F212 HydrophobicContact CD1-CE1 3.98Å; F109-F212 AromaticContact CD1-CZ 3.8Å; F109-F212 HydrophobicContact CD1-CZ 3.8Å; F109-F212 AromaticContact CE1-CE1 3.58Å; F109-F212 HydrophobicContact CE1-CE1 3.58Å; F109-F212 AromaticContact CE1-CZ 3.76Å; F109-F212 HydrophobicContact CE1-CZ 3.76Å; F109-F212 HydrophobicContact CZ-CE1 4.37Å; F109-F212 HydrophobicContact CZ-CZ 4.45Å; N208-F212 WeakPolarHBondContact O-CB 3.41Å; N208-F212 PolarHBondContact O-N 3.37Å; F209-F212 PolarHBondContact O-N 3.44Å; F212-K214 VanDerWaalsContact C-N 3.27Å; F212-K214 PolarHBondContact O-N 3.44Å; F212-V215 WeakPolarHBondContact O-CG2 3.38Å; F212-V215 PolarHBondContact O-N 3.21Å; F212-F216 HydrophobicContact CE1-CD2 4.23Å; F212-F216 HydrophobicContact CE1-CE2 4.44Å; F212-F216 AromaticContact CZ-CD2 3.98Å; F212-F216 HydrophobicContact CZ-CD2 3.98Å; F212-F216 HydrophobicContact CZ-CE2 4.15Å; F212-L219 HydrophobicContact CD2-CD1 4.35Å; F212-L219 HydrophobicContact CE2-CD1 3.61Å; F212-L219 HydrophobicContact CZ-CD1 4.36Å; F212-I225 HydrophobicContact CD2-CD1 4.34Å; F212-I225 HydrophobicContact CE2-CD1 4.25Å; F212-R235 HydrophobicContact CD2-CB 3.67Å; F212-R235 HydrophobicContact CD2-CG 3.73Å; F212-R235 HydrophobicContact CE2-CB 4.1Å; F212-R235 HydrophobicContact CE2-CG 3.65Å; F212-R235 HydrophobicContact CG-CB 4.17Å; F212-R235 HydrophobicContact CG-CG 4.27Å; F212-R235 HydrophobicContact CZ-CG 4.12Å; F212-L238 HydrophobicContact CB-CD1 4.32Å
213D98.4Very high95.2Very high14 Ų1441.5 Ų41.58%0.07523%0.227CC..Hα-helixtrans-65-31.8-177.5-17449.4000112.7F209 V215 F216 W284 R483F209-D213 HydrophobicContact CE1-CB 4.45Å; F209-D213 HydrophobicContact CZ-CB 4.41Å; F209-D213 VanDerWaalsContact O-CB 3.23Å; F209-D213 WeakPolarHBondContact O-CB 3.39Å; F209-D213 PolarHBondContact O-N 2.95Å; D213-V215 PolarHBondContact O-N 2.93Å; D213-F216 VanDerWaalsContact O-CB 3.23Å; D213-F216 WeakPolarHBondContact O-CB 3.41Å; D213-F216 PolarHBondContact O-N 3.27Å; D213-F216 VanDerWaalsContact O-N 3.08Å; D213-W284 PolarHBondContact OD1-NE1 2.94Å; D213-R483 PolarHBondContact O-NH1 2.85Å; D213-R483 IonicContact OD1-CZ 3.63Å; D213-R483 IonicContact OD1-NH1 3.17Å; D213-R483 IonicContact OD1-NH2 3.64Å; D213-R483 PolarHBondContact OD1-NH2 3.08Å; D213-R483 IonicContact OD2-CZ 3.97Å; D213-R483 IonicContact OD2-NH1 3.97Å; D213-R483 IonicContact OD2-NH2 2.71Å; D213-R483 PolarHBondContact OD2-NH2 3.46Å
214K97.6Very high95.4Very high156 Ų15640.5 Ų40.568%0.67823%0.226SC*.Hα-helixtrans-53.8-37.8176-178.8176.6-179177.20113.2K210 F212K210-K214 VanDerWaalsContact O-CB 3.28Å; K210-K214 WeakPolarHBondContact O-CB 3.42Å; K210-K214 PolarHBondContact O-N 3.29Å; F212-K214 VanDerWaalsContact C-N 3.27Å; F212-K214 PolarHBondContact O-N 3.44Å
215V97.8Very high95.5Very high20 Ų2036.5 Ų36.512%0.12120%0.204CC..THydrogen-bonded Turntrans-96.70.8-178.1-560000113.1F212 D213 P217 A218 L219 F228 A231F212-V215 WeakPolarHBondContact O-CG2 3.38Å; F212-V215 PolarHBondContact O-N 3.21Å; D213-V215 PolarHBondContact O-N 2.93Å; V215-P217 VanDerWaalsContact C-CD 3.43Å; V215-A218 WeakPolarHBondContact O-CB 3.06Å; V215-A218 PolarHBondContact O-N 3.21Å; V215-L219 HydrophobicContact CG2-CD1 4.26Å; V215-L219 HydrophobicContact CG2-CG 4.32Å; V215-L219 PolarHBondContact O-N 2.96Å; V215-L219 VanDerWaalsContact O-N 3.14Å; V215-F228 HydrophobicContact CB-CD1 4.36Å; V215-F228 HydrophobicContact CB-CD2 4.15Å; V215-F228 HydrophobicContact CB-CE2 4.47Å; V215-F228 HydrophobicContact CB-CG 4.1Å; V215-F228 HydrophobicContact CG1-CB 4.04Å; V215-F228 HydrophobicContact CG1-CD1 3.77Å; V215-F228 HydrophobicContact CG1-CD2 4.37Å; V215-F228 HydrophobicContact CG1-CE1 4.32Å; V215-F228 HydrophobicContact CG1-CG 3.8Å; V215-F228 HydrophobicContact CG2-CB 4.43Å; V215-F228 HydrophobicContact CG2-CD2 4.34Å; V215-F228 HydrophobicContact CG2-CG 4.4Å; V215-A231 HydrophobicContact CB-CB 4.3Å; V215-A231 HydrophobicContact CG1-CB 3.92Å; V215-A231 HydrophobicContact CG2-CB 3.38Å
216F97.7Very high95.4Very high9 Ų942.3 Ų42.34%0.03923%0.231CC..Hα-helixtrans-54.6-40.7-177.3-158.3-92.6000114.1A108 F109 F212 D213 A218 L219 V220 W284 L486A108-F216 HydrophobicContact CB-CE2 3.81Å; A108-F216 HydrophobicContact CB-CZ 4.1Å; F109-F216 HydrophobicContact CE1-CE2 4.28Å; F109-F216 AromaticContact CE2-CE2 3.7Å; F109-F216 HydrophobicContact CE2-CE2 3.7Å; F109-F216 AromaticContact CE2-CZ 3.86Å; F109-F216 HydrophobicContact CE2-CZ 3.86Å; F109-F216 AromaticContact CZ-CE2 3.52Å; F109-F216 HydrophobicContact CZ-CE2 3.52Å; F109-F216 AromaticContact CZ-CZ 3.97Å; F109-F216 HydrophobicContact CZ-CZ 3.97Å; F212-F216 HydrophobicContact CE1-CD2 4.23Å; F212-F216 HydrophobicContact CE1-CE2 4.44Å; F212-F216 AromaticContact CZ-CD2 3.98Å; F212-F216 HydrophobicContact CZ-CD2 3.98Å; F212-F216 HydrophobicContact CZ-CE2 4.15Å; D213-F216 VanDerWaalsContact O-CB 3.23Å; D213-F216 WeakPolarHBondContact O-CB 3.41Å; D213-F216 PolarHBondContact O-N 3.27Å; D213-F216 VanDerWaalsContact O-N 3.08Å; F216-A218 VanDerWaalsContact C-N 3.28Å; F216-A218 PolarHBondContact O-N 2.97Å; F216-L219 PolarHBondContact O-N 3.44Å; F216-L219 VanDerWaalsContact O-N 3.13Å; F216-V220 HydrophobicContact CD1-CG2 3.76Å; F216-V220 HydrophobicContact CE1-CG2 3.51Å; F216-V220 HydrophobicContact CZ-CG2 4.28Å; F216-V220 WeakPolarHBondContact O-CG2 3.17Å; F216-V220 PolarHBondContact O-N 3.46Å; F216-W284 AromaticContact CD1-CE2 3.84Å; F216-W284 HydrophobicContact CD1-CH2 4.17Å; F216-W284 AromaticContact CD1-CZ2 3.44Å; F216-W284 HydrophobicContact CD1-CZ2 3.44Å; F216-W284 VanDerWaalsContact CD1-CZ2 3.44Å; F216-W284 AromaticContact CD2-CE2 3.87Å; F216-W284 HydrophobicContact CD2-CZ2 4.33Å; F216-W284 AromaticContact CD2-NE1 3.52Å; F216-W284 HydrophobicContact CE1-CD2 4.39Å; F216-W284 AromaticContact CE1-CE2 3.72Å; F216-W284 AromaticContact CE1-CH2 3.63Å; F216-W284 HydrophobicContact CE1-CH2 3.63Å; F216-W284 AromaticContact CE1-CZ2 3.31Å; F216-W284 HydrophobicContact CE1-CZ2 3.31Å; F216-W284 HydrophobicContact CE1-CZ3 4.27Å; F216-W284 HydrophobicContact CE2-CD2 4.03Å; F216-W284 AromaticContact CE2-CE2 3.77Å; F216-W284 HydrophobicContact CE2-CG 4.25Å; F216-W284 HydrophobicContact CE2-CZ2 4.25Å; F216-W284 AromaticContact CE2-NE1 3.78Å; F216-W284 AromaticContact CG-CE2 3.9Å; F216-W284 AromaticContact CG-CZ2 3.95Å; F216-W284 HydrophobicContact CG-CZ2 3.95Å; F216-W284 AromaticContact CG-NE1 3.68Å; F216-W284 AromaticContact CZ-CD2 3.95Å; F216-W284 HydrophobicContact CZ-CD2 3.95Å; F216-W284 AromaticContact CZ-CE2 3.68Å; F216-W284 HydrophobicContact CZ-CE3 4.22Å; F216-W284 HydrophobicContact CZ-CH2 4.05Å; F216-W284 AromaticContact CZ-CZ2 3.75Å; F216-W284 HydrophobicContact CZ-CZ2 3.75Å; F216-W284 HydrophobicContact CZ-CZ3 4.27Å; F216-L486 HydrophobicContact CD1-CD1 4Å; F216-L486 HydrophobicContact CD1-CD2 4.09Å; F216-L486 HydrophobicContact CE1-CD2 4.21Å
217P94.4Very high95.3Very high31 Ų3147.5 Ų47.520%0.20126%0.256CS..Hα-helixtrans-56.4-41.1173.9-22.931.4000113.2V215 V220 A221 S482 R483 L486V215-P217 VanDerWaalsContact C-CD 3.43Å; P217-V220 PolarHBondContact O-N 2.97Å; P217-A221 WeakPolarHBondContact O-CB 3.46Å; P217-A221 PolarHBondContact O-N 3.44Å; P217-S482 VanDerWaalsContact CB-O 3.29Å; P217-S482 WeakPolarHBondContact CB-O 3.49Å; P217-S482 WeakPolarHBondContact CG-O 3.27Å; P217-R483 HydrophobicContact CG-CG 4.16Å; P217-L486 HydrophobicContact CB-CD1 4.16Å; P217-L486 HydrophobicContact CG-CD1 3.69Å
218A92.9Very high95.3Very high23 Ų2346.4 Ų46.419%0.1925%0.248CC..Hα-helixtrans-67.4-37.9178.100000112V215 F216 A221 G222 L223 F228V215-A218 WeakPolarHBondContact O-CB 3.06Å; V215-A218 PolarHBondContact O-N 3.21Å; F216-A218 VanDerWaalsContact C-N 3.28Å; F216-A218 PolarHBondContact O-N 2.97Å; A218-A221 PolarHBondContact O-N 3.45Å; A218-G222 PolarHBondContact O-N 3.39Å; A218-G222 VanDerWaalsContact O-N 3.14Å; A218-L223 HydrophobicContact CB-CB 4.26Å; A218-L223 HydrophobicContact CB-CD2 4.23Å; A218-L223 WeakPolarHBondContact O-CB 3.34Å; A218-L223 PolarHBondContact O-N 3.09Å; A218-F228 HydrophobicContact CB-CE2 3.9Å; A218-F228 HydrophobicContact CB-CZ 3.66Å
219L94.4Very high95.2Very high4 Ų455.8 Ų55.82%0.02128%0.282CS..Hα-helixtrans-65.1-42.7177-58.6-177.8000111.8A108 F212 V215 F216 A221 G222 I225 F228A108-L219 HydrophobicContact CB-CB 4.11Å; A108-L219 HydrophobicContact CB-CD1 4.43Å; F212-L219 HydrophobicContact CD2-CD1 4.35Å; F212-L219 HydrophobicContact CE2-CD1 3.61Å; F212-L219 HydrophobicContact CZ-CD1 4.36Å; V215-L219 HydrophobicContact CG2-CD1 4.26Å; V215-L219 HydrophobicContact CG2-CG 4.32Å; V215-L219 PolarHBondContact O-N 2.96Å; V215-L219 VanDerWaalsContact O-N 3.14Å; F216-L219 PolarHBondContact O-N 3.44Å; F216-L219 VanDerWaalsContact O-N 3.13Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-G222 WeakPolarHBondContact O-CA 3.42Å; L219-G222 PolarHBondContact O-N 3.33Å; L219-I225 HydrophobicContact CD1-CD1 4.19Å; L219-I225 HydrophobicContact CD1-CG1 4.47Å; L219-I225 HydrophobicContact CD2-CB 3.73Å; L219-I225 HydrophobicContact CD2-CG1 3.97Å; L219-F228 HydrophobicContact CD2-CD2 4.48Å
220V90.7Very high95.2Very high46 Ų4660.3 Ų60.328%0.27931%0.309SS..Hα-helixtrans-64.6-39.2175.4175.40000111T104 F216 P217 G222 L486T104-V220 HydrophobicContact CG2-CB 4.44Å; T104-V220 HydrophobicContact CG2-CG1 4.14Å; T104-V220 HydrophobicContact CG2-CG2 3.85Å; F216-V220 HydrophobicContact CD1-CG2 3.76Å; F216-V220 HydrophobicContact CE1-CG2 3.51Å; F216-V220 HydrophobicContact CZ-CG2 4.28Å; F216-V220 WeakPolarHBondContact O-CG2 3.17Å; F216-V220 PolarHBondContact O-N 3.46Å; P217-V220 PolarHBondContact O-N 2.97Å; V220-G222 PolarHBondContact O-N 3.41Å; V220-L486 HydrophobicContact CB-CD2 4.43Å; V220-L486 HydrophobicContact CG1-CD2 4.47Å; V220-L486 HydrophobicContact CG2-CD2 3.92Å
221A87.1Confident95.2Very high34 Ų3457.2 Ų57.228%0.28130%0.297SS..THydrogen-bonded Turntrans-65.4-12.9173.100000113.7M72 P217 A218 L219 L223M72-A221 HydrophobicContact CE-CB 4.22Å; P217-A221 WeakPolarHBondContact O-CB 3.46Å; P217-A221 PolarHBondContact O-N 3.44Å; A218-A221 PolarHBondContact O-N 3.45Å; L219-A221 VanDerWaalsContact C-N 3.33Å; A221-L223 HydrophobicContact CB-CD1 4.34Å
222G86.8Confident95.2Very high30 Ų3056.8 Ų56.831%0.30930%0.295SS..THydrogen-bonded Turntrans102.27.1174.100000115.3A218 L219 V220A218-G222 PolarHBondContact O-N 3.39Å; A218-G222 VanDerWaalsContact O-N 3.14Å; L219-G222 WeakPolarHBondContact O-CA 3.42Å; L219-G222 PolarHBondContact O-N 3.33Å; V220-G222 PolarHBondContact O-N 3.41Å
223L90.5Very high95.2Very high68 Ų6859.5 Ų59.536%0.35631%0.314SS..  trans-69.3135.9175-8268.4000110A218 A221 M227 F228A218-L223 HydrophobicContact CB-CB 4.26Å; A218-L223 HydrophobicContact CB-CD2 4.23Å; A218-L223 WeakPolarHBondContact O-CB 3.34Å; A218-L223 PolarHBondContact O-N 3.09Å; A221-L223 HydrophobicContact CB-CD1 4.34Å; L223-M227 HydrophobicContact CD2-CE 4.39Å; L223-M227 HydrophobicContact CD2-SD 4.48Å; L223-F228 HydrophobicContact CB-CE2 4.12Å; L223-F228 HydrophobicContact CB-CZ 4.42Å; L223-F228 HydrophobicContact CD2-CZ 3.98Å
224P94.5Very high95.2Very high70 Ų7058.9 Ų58.946%0.45531%0.311SS..  trans-69.4134.2179.626.8-32.5000111H226 M227P224-H226 PolarHBondContact O-N 3.01Å; P224-M227 HydrophobicContact CG-CG 4Å; P224-M227 HydrophobicContact CG-SD 3.84Å; P224-M227 WeakPolarHBondContact O-CB 3.4Å; P224-M227 PolarHBondContact O-N 2.97Å
225I96.4Very high95.3Very high11 Ų1152.4 Ų52.46%0.05628%0.282CS..G310 helixtrans-58.4-24.8-178.9-161.4170.2000113.4F212 L219 M227 F228 H232 R235F212-I225 HydrophobicContact CD2-CD1 4.34Å; F212-I225 HydrophobicContact CE2-CD1 4.25Å; L219-I225 HydrophobicContact CD1-CD1 4.19Å; L219-I225 HydrophobicContact CD1-CG1 4.47Å; L219-I225 HydrophobicContact CD2-CB 3.73Å; L219-I225 HydrophobicContact CD2-CG1 3.97Å; I225-M227 PolarHBondContact O-N 3.13Å; I225-M227 VanDerWaalsContact O-N 3.12Å; I225-F228 CarbonylContact O-C 3.58Å; I225-F228 WeakPolarHBondContact O-CA 3.18Å; I225-F228 PolarHBondContact O-N 3.45Å; I225-H232 HydrophobicContact CD1-CB 4.38Å; I225-H232 HydrophobicContact CG1-CB 4Å; I225-R235 HydrophobicContact CD1-CB 4.05Å; I225-R235 VanDerWaalsContact CD1-CD 3.49Å; I225-R235 HydrophobicContact CD1-CG 4.35Å
226H95.3Very high95.3Very high134 Ų13454 Ų5462%0.6229%0.288SS*.G310 helixtrans-58.7-22.2176.7-57.795.1000113.7P224 F228 H232P224-H226 PolarHBondContact O-N 3.01Å; H226-F228 PolarHBondContact O-N 3.06Å; H226-H232 AromaticContact CD2-CE1 3.73Å; H226-H232 AromaticContact NE2-CE1 3.83Å
227M96.5Very high95.4Very high124 Ų12459.1 Ų59.161%0.61131%0.31SS*.G310 helixtrans-69-20172.1-69.1176.667.200112.8L223 P224 I225L223-M227 HydrophobicContact CD2-CE 4.39Å; L223-M227 HydrophobicContact CD2-SD 4.48Å; P224-M227 HydrophobicContact CG-CG 4Å; P224-M227 HydrophobicContact CG-SD 3.84Å; P224-M227 WeakPolarHBondContact O-CB 3.4Å; P224-M227 PolarHBondContact O-N 2.97Å; I225-M227 PolarHBondContact O-N 3.13Å; I225-M227 VanDerWaalsContact O-N 3.12Å
228F97.6Very high95.6Very high55 Ų5557.6 Ų57.624%0.24130%0.301CS..  trans-116.271.7-174.7-49.5-73.2000110.3V215 A218 L219 L223 I225 H226 T230 A231 H232V215-F228 HydrophobicContact CB-CD1 4.36Å; V215-F228 HydrophobicContact CB-CD2 4.15Å; V215-F228 HydrophobicContact CB-CE2 4.47Å; V215-F228 HydrophobicContact CB-CG 4.1Å; V215-F228 HydrophobicContact CG1-CB 4.04Å; V215-F228 HydrophobicContact CG1-CD1 3.77Å; V215-F228 HydrophobicContact CG1-CD2 4.37Å; V215-F228 HydrophobicContact CG1-CE1 4.32Å; V215-F228 HydrophobicContact CG1-CG 3.8Å; V215-F228 HydrophobicContact CG2-CB 4.43Å; V215-F228 HydrophobicContact CG2-CD2 4.34Å; V215-F228 HydrophobicContact CG2-CG 4.4Å; A218-F228 HydrophobicContact CB-CE2 3.9Å; A218-F228 HydrophobicContact CB-CZ 3.66Å; L219-F228 HydrophobicContact CD2-CD2 4.48Å; L223-F228 HydrophobicContact CB-CE2 4.12Å; L223-F228 HydrophobicContact CB-CZ 4.42Å; L223-F228 HydrophobicContact CD2-CZ 3.98Å; I225-F228 CarbonylContact O-C 3.58Å; I225-F228 WeakPolarHBondContact O-CA 3.18Å; I225-F228 PolarHBondContact O-N 3.45Å; H226-F228 PolarHBondContact O-N 3.06Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 3.11Å; F228-T230 VanDerWaalsContact O-N 3.16Å; F228-A231 HydrophobicContact CB-CB 3.89Å; F228-A231 PolarHBondContact O-N 2.86Å; F228-H232 WeakPolarHBondContact O-CB 3.45Å; F228-H232 PolarHBondContact O-N 3.46Å
229R97.6Very high95.8Very high216 Ų21656.5 Ų56.582%0.81529%0.292SS*.Hα-helixtrans-48.5-46.9-172.9-67.4-175.7-175.6173.71.3114H232 S233R229-H232 PolarHBondContact O-N 3.02Å; R229-S233 PolarHBondContact O-N 2.84Å
230T98.3Very high96Very high95 Ų9560.2 Ų60.258%0.58331%0.309SS*.Hα-helixtrans-62.5-48.5178.8-510000111.7Q211 F228 H232 S233 A234Q211-T230 HydrophobicContact CB-CG2 4.42Å; Q211-T230 HydrophobicContact CG-CG2 4.12Å; F228-T230 VanDerWaalsContact C-N 3.31Å; F228-T230 PolarHBondContact O-N 3.11Å; F228-T230 VanDerWaalsContact O-N 3.16Å; T230-H232 VanDerWaalsContact C-N 3.34Å; T230-H232 PolarHBondContact O-N 3.5Å; T230-S233 PolarHBondContact O-N 3.44Å; T230-A234 WeakPolarHBondContact O-CB 3.41Å; T230-A234 PolarHBondContact O-N 3.21Å
231A98.3Very high96.3Very high4 Ų459.1 Ų59.13%0.03330%0.303CS..Hα-helixtrans-67.4-34.6179.200000112.5Q211 V215 F228 A234 R235Q211-A231 VanDerWaalsContact O-CB 3.29Å; Q211-A231 WeakPolarHBondContact O-CB 3.34Å; V215-A231 HydrophobicContact CB-CB 4.3Å; V215-A231 HydrophobicContact CG1-CB 3.92Å; V215-A231 HydrophobicContact CG2-CB 3.38Å; F228-A231 HydrophobicContact CB-CB 3.89Å; F228-A231 PolarHBondContact O-N 2.86Å; A231-A234 PolarHBondContact O-N 2.88Å; A231-R235 WeakPolarHBondContact O-CB 3.11Å; A231-R235 PolarHBondContact O-N 2.95Å
232H98.6Very high96.8Very high49 Ų4957.5 Ų57.523%0.22729%0.29CS..Hα-helixtrans-61.9-53173.5-174.2-157000110.6I225 H226 F228 R229 T230 A234 R235 E236I225-H232 HydrophobicContact CD1-CB 4.38Å; I225-H232 HydrophobicContact CG1-CB 4Å; H226-H232 AromaticContact CD2-CE1 3.73Å; H226-H232 AromaticContact NE2-CE1 3.83Å; F228-H232 WeakPolarHBondContact O-CB 3.45Å; F228-H232 PolarHBondContact O-N 3.46Å; R229-H232 PolarHBondContact O-N 3.02Å; T230-H232 VanDerWaalsContact C-N 3.34Å; T230-H232 PolarHBondContact O-N 3.5Å; H232-A234 VanDerWaalsContact C-N 3.28Å; H232-A234 PolarHBondContact O-N 3.24Å; H232-R235 WeakPolarHBondContact O-CB 3.2Å; H232-R235 PolarHBondContact O-N 3.19Å; H232-E236 IonicContact CD2-OE1 3.33Å; H232-E236 IonicContact NE2-OE1 2.68Å; H232-E236 WeakPolarHBondContact O-CG 3.25Å; H232-E236 PolarHBondContact O-N 3.09Å
233S98.5Very high97.4Very high56 Ų5658.2 Ų58.239%0.39228%0.283SS..Hα-helixtrans-57.8-42.1176.9-176.10000111.8R229 T230 E236 K237R229-S233 PolarHBondContact O-N 2.84Å; T230-S233 PolarHBondContact O-N 3.44Å; S233-E236 PolarHBondContact O-N 3.26Å; S233-K237 WeakPolarHBondContact O-CG 3.5Å; S233-K237 PolarHBondContact O-N 3.45Å
234A98.6Very high97.8Very high2 Ų255.8 Ų55.82%0.01727%0.27CS..Hα-helixtrans-61.5-44.2176.900000112.8N208 Q211 T230 A231 H232 E236 K237 L238N208-A234 HydrophobicContact CB-CB 3.91Å; N208-A234 WeakPolarHBondContact O-CB 3.49Å; Q211-A234 HydrophobicContact CB-CB 3.81Å; T230-A234 WeakPolarHBondContact O-CB 3.41Å; T230-A234 PolarHBondContact O-N 3.21Å; A231-A234 PolarHBondContact O-N 2.88Å; H232-A234 VanDerWaalsContact C-N 3.28Å; H232-A234 PolarHBondContact O-N 3.24Å; A234-E236 VanDerWaalsContact C-N 3.34Å; A234-E236 PolarHBondContact O-N 3.09Å; A234-K237 PolarHBondContact O-N 3.42Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.21Å
235R98.7Very high97.9Very high20 Ų2057.3 Ų57.38%0.07527%0.271CS..Hα-helixtrans-61.3-40.8175.5-168-168.265.5174.61.8112.2A108 F109 F212 I225 A231 H232 A239 K277 L280A108-R235 PolarHBondContact O-NH1 2.85Å; F109-R235 PolarHBondContact O-NH1 3.45Å; F212-R235 HydrophobicContact CD2-CB 3.67Å; F212-R235 HydrophobicContact CD2-CG 3.73Å; F212-R235 HydrophobicContact CE2-CB 4.1Å; F212-R235 HydrophobicContact CE2-CG 3.65Å; F212-R235 HydrophobicContact CG-CB 4.17Å; F212-R235 HydrophobicContact CG-CG 4.27Å; F212-R235 HydrophobicContact CZ-CG 4.12Å; I225-R235 HydrophobicContact CD1-CB 4.05Å; I225-R235 VanDerWaalsContact CD1-CD 3.49Å; I225-R235 HydrophobicContact CD1-CG 4.35Å; A231-R235 WeakPolarHBondContact O-CB 3.11Å; A231-R235 PolarHBondContact O-N 2.95Å; H232-R235 WeakPolarHBondContact O-CB 3.2Å; H232-R235 PolarHBondContact O-N 3.19Å; R235-A239 WeakPolarHBondContact O-CB 3.38Å; R235-A239 PolarHBondContact O-N 2.96Å; R235-A239 VanDerWaalsContact O-N 3.1Å; R235-K277 PolarHBondContact O-NZ 3.26Å; R235-L280 HydrophobicContact CG-CD2 3.65Å
236E98.6Very high97.9Very high52 Ų5258.9 Ų58.924%0.24328%0.279CS..Hα-helixtrans-69.5-42.2177.8-59.7-3911700111.6H232 S233 A234 L238 A239 E240 K277H232-E236 IonicContact CD2-OE1 3.33Å; H232-E236 IonicContact NE2-OE1 2.68Å; H232-E236 WeakPolarHBondContact O-CG 3.25Å; H232-E236 PolarHBondContact O-N 3.09Å; S233-E236 PolarHBondContact O-N 3.26Å; A234-E236 VanDerWaalsContact C-N 3.34Å; A234-E236 PolarHBondContact O-N 3.09Å; E236-L238 PolarHBondContact O-N 3.29Å; E236-A239 WeakPolarHBondContact O-CB 3.28Å; E236-A239 PolarHBondContact O-N 2.73Å; E236-E240 WeakPolarHBondContact O-CB 3.23Å; E236-E240 PolarHBondContact O-N 3.04Å; E236-K277 IonicContact OE1-NZ 3.87Å; E236-K277 PolarHBondContact OE1-NZ 3.02Å; E236-K277 VanDerWaalsContact OE2-CE 3.31Å; E236-K277 WeakPolarHBondContact OE2-CE 3.37Å; E236-K277 IonicContact OE2-NZ 2.69Å; E236-K277 PolarHBondContact OE2-NZ 3.15Å
237K98.6Very high98Very high117 Ų11752.5 Ų52.551%0.50925%0.25SC..Hα-helixtrans-61.4-41.3174.9-73.6174.8-178.9178.20112.9S233 A234 E240 S241S233-K237 WeakPolarHBondContact O-CG 3.5Å; S233-K237 PolarHBondContact O-N 3.45Å; A234-K237 PolarHBondContact O-N 3.42Å; K237-E240 PolarHBondContact O-N 3.16Å; K237-S241 PolarHBondContact O-N 2.81Å; K237-S241 VanDerWaalsContact O-N 3.1Å
238L98.6Very high98Very high0 Ų053.2 Ų53.20%025%0.252CS..Hα-helixtrans-61.5-47.2174.2-73.5166.9000111.2N205 N208 F209 F212 A234 E236 E240 S241 L242 L280 L283N205-L238 HydrophobicContact CB-CD2 4.26Å; N208-L238 HydrophobicContact CB-CD1 4.14Å; N208-L238 HydrophobicContact CB-CD2 3.99Å; N208-L238 HydrophobicContact CB-CG 3.76Å; F209-L238 HydrophobicContact CB-CD1 4.28Å; F209-L238 HydrophobicContact CB-CD2 4.49Å; F209-L238 HydrophobicContact CD2-CD1 4.48Å; F212-L238 HydrophobicContact CB-CD1 4.32Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.21Å; E236-L238 PolarHBondContact O-N 3.29Å; L238-E240 VanDerWaalsContact C-N 3.33Å; L238-E240 PolarHBondContact O-N 3.21Å; L238-S241 PolarHBondContact O-N 3.06Å; L238-S241 PolarHBondContact O-OG 3.42Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.34Å; L238-L242 PolarHBondContact O-N 2.83Å; L238-L280 HydrophobicContact CB-CD1 3.81Å; L238-L280 HydrophobicContact CB-CD2 4.27Å; L238-L280 HydrophobicContact CD1-CD1 3.91Å; L238-L280 HydrophobicContact CG-CD1 4.41Å; L238-L283 HydrophobicContact CD2-CD2 4.22Å
239A98.7Very high97.8Very high0 Ų055.9 Ų55.90%026%0.263CS..Hα-helixtrans-59.4-45177.300000111.4R235 E236 S241 L242 R243 L273 A276 K277R235-A239 WeakPolarHBondContact O-CB 3.38Å; R235-A239 PolarHBondContact O-N 2.96Å; R235-A239 VanDerWaalsContact O-N 3.1Å; E236-A239 WeakPolarHBondContact O-CB 3.28Å; E236-A239 PolarHBondContact O-N 2.73Å; A239-S241 VanDerWaalsContact C-N 3.28Å; A239-S241 PolarHBondContact O-N 3.42Å; A239-L242 CarbonylContact O-C 3.48Å; A239-L242 WeakPolarHBondContact O-CA 3.44Å; A239-L242 PolarHBondContact O-N 2.94Å; A239-R243 PolarHBondContact O-N 3.48Å; A239-L273 HydrophobicContact CB-CD1 3.89Å; A239-A276 HydrophobicContact CB-CB 4.45Å; A239-A276 WeakPolarHBondContact O-CB 3.47Å; A239-K277 HydrophobicContact CB-CD 3.58Å
240E98.1Very high97.7Very high81 Ų8147.5 Ų47.538%0.37923%0.231SC..Hα-helixtrans-56.2-43.3177.2-165.457-139.800112E236 K237 L238 L242 R243 N246E236-E240 WeakPolarHBondContact O-CB 3.23Å; E236-E240 PolarHBondContact O-N 3.04Å; K237-E240 PolarHBondContact O-N 3.16Å; L238-E240 VanDerWaalsContact C-N 3.33Å; L238-E240 PolarHBondContact O-N 3.21Å; E240-L242 PolarHBondContact O-N 2.83Å; E240-R243 PolarHBondContact O-N 3.43Å; E240-R243 VanDerWaalsContact OE1-CD 3.29Å; E240-R243 WeakPolarHBondContact OE1-CD 3.14Å; E240-R243 IonicContact OE1-CZ 3.71Å; E240-R243 IonicContact OE1-NE 3.74Å; E240-R243 PolarHBondContact OE1-NE 2.87Å; E240-R243 IonicContact OE2-CZ 3.17Å; E240-R243 IonicContact OE2-NE 3.67Å; E240-R243 PolarHBondContact OE2-NE 2.8Å; E240-R243 IonicContact OE2-NH2 2.72Å; E240-R243 PolarHBondContact OE2-NH2 3.19Å; E240-N246 PolarHBondContact O-ND2 3.5Å
241S96.8Very high97.6Very high23 Ų2348.1 Ų48.116%0.16123%0.228CC..Hα-helixtrans-65.7-19.1176.381.70000114.3K237 L238 A239K237-S241 PolarHBondContact O-N 2.81Å; K237-S241 VanDerWaalsContact O-N 3.1Å; L238-S241 PolarHBondContact O-N 3.06Å; L238-S241 PolarHBondContact O-OG 3.42Å; A239-S241 VanDerWaalsContact C-N 3.28Å; A239-S241 PolarHBondContact O-N 3.42Å
242L98.4Very high97.5Very high0 Ų050.9 Ų50.90%025%0.247CC..THydrogen-bonded Turntrans-106.811.7-175.5-63.7175.7000113.1Y184 F188 L238 A239 E240 L247 H279 L280 L283Y184-L242 HydrophobicContact CE2-CD2 4.31Å; F188-L242 HydrophobicContact CD1-CD2 3.67Å; F188-L242 HydrophobicContact CE1-CD2 3.84Å; F188-L242 HydrophobicContact CG-CD2 4.07Å; F188-L242 HydrophobicContact CZ-CD2 4.39Å; L238-L242 VanDerWaalsContact O-CG 3.31Å; L238-L242 WeakPolarHBondContact O-CG 3.34Å; L238-L242 PolarHBondContact O-N 2.83Å; A239-L242 CarbonylContact O-C 3.48Å; A239-L242 WeakPolarHBondContact O-CA 3.44Å; A239-L242 PolarHBondContact O-N 2.94Å; E240-L242 PolarHBondContact O-N 2.83Å; L242-L247 HydrophobicContact CD2-CD2 4.08Å; L242-L247 WeakPolarHBondContact O-CD1 3.43Å; L242-H279 HydrophobicContact CB-CB 4.15Å; L242-H279 HydrophobicContact CD1-CB 4.36Å; L242-H279 PolarHBondContact O-CD2 3.36Å; L242-L280 HydrophobicContact CD1-CB 4.02Å; L242-L280 HydrophobicContact CD1-CD1 4.34Å; L242-L283 HydrophobicContact CD1-CB 4.49Å; L242-L283 HydrophobicContact CD1-CD2 4.25Å
243R98.6Very high97.4Very high46 Ų4649.2 Ų49.217%0.17424%0.24CC..SBendtrans-60149.9169.4-71.1-175.8-179.2-83.6-4.1111.2A239 E240 E245 N246 L247 A276A239-R243 PolarHBondContact O-N 3.48Å; E240-R243 PolarHBondContact O-N 3.43Å; E240-R243 VanDerWaalsContact OE1-CD 3.29Å; E240-R243 WeakPolarHBondContact OE1-CD 3.14Å; E240-R243 IonicContact OE1-CZ 3.71Å; E240-R243 IonicContact OE1-NE 3.74Å; E240-R243 PolarHBondContact OE1-NE 2.87Å; E240-R243 IonicContact OE2-CZ 3.17Å; E240-R243 IonicContact OE2-NE 3.67Å; E240-R243 PolarHBondContact OE2-NE 2.8Å; E240-R243 IonicContact OE2-NH2 2.72Å; E240-R243 PolarHBondContact OE2-NH2 3.19Å; R243-E245 VanDerWaalsContact C-N 3.26Å; R243-E245 HydrophobicContact CB-CG 3.87Å; R243-E245 VanDerWaalsContact CD-OE1 3.23Å; R243-E245 WeakPolarHBondContact CD-OE1 3.38Å; R243-E245 PolarHBondContact O-N 3.47Å; R243-N246 PolarHBondContact O-N 3.04Å; R243-L247 WeakPolarHBondContact O-CG 3.23Å; R243-L247 PolarHBondContact O-N 2.95Å; R243-A276 HydrophobicContact CG-CB 4.03Å
244H98.5Very high97.4Very high16 Ų1647 Ų477%0.07423%0.225CC..Hα-helixtrans-56.1-41179.6-75.2-160.8000111.9N246 L247 Q248 M261 D265 H279H244-N246 PolarHBondContact O-N 3.11Å; H244-L247 PolarHBondContact O-N 2.9Å; H244-Q248 WeakPolarHBondContact O-CB 3.28Å; H244-Q248 WeakPolarHBondContact O-CG 3.35Å; H244-Q248 PolarHBondContact O-N 2.71Å; H244-M261 HydrophobicContact CB-CE 4.18Å; H244-M261 PolarHBondContact CE1-O 2.82Å; H244-D265 IonicContact CE1-OD1 2.73Å; H244-D265 PolarHBondContact CE1-OD1 2.71Å; H244-D265 IonicContact CE1-OD2 3.76Å; H244-D265 IonicContact ND1-OD1 3.78Å; H244-D265 PolarHBondContact ND1-OD1 2.82Å; H244-D265 IonicContact ND1-OD2 3.94Å; H244-D265 PolarHBondContact ND1-OD2 3.27Å; H244-H279 AromaticContact CD2-CD2 3.89Å; H244-H279 AromaticContact CD2-NE2 3.34Å; H244-H279 PolarHBondContact CD2-NE2 3.17Å; H244-H279 VanDerWaalsContact CD2-NE2 3.34Å; H244-H279 AromaticContact NE2-CD2 3.9Å; H244-H279 AromaticContact NE2-CE1 3.93Å; H244-H279 AromaticContact NE2-NE2 2.98Å; H244-H279 PolarHBondContact NE2-NE2 2.85Å
245E96.8Very high97.4Very high103 Ų10350.9 Ų50.948%0.48124%0.242SC..Hα-helixtrans-57.6-30.417667.6-177.8170.500113.7R243 K249R243-E245 VanDerWaalsContact C-N 3.26Å; R243-E245 HydrophobicContact CB-CG 3.87Å; R243-E245 VanDerWaalsContact CD-OE1 3.23Å; R243-E245 WeakPolarHBondContact CD-OE1 3.38Å; R243-E245 PolarHBondContact O-N 3.47Å; E245-K249 WeakPolarHBondContact O-CD 3.31Å; E245-K249 WeakPolarHBondContact O-CE 3.22Å; E245-K249 WeakPolarHBondContact O-CG 3.1Å
246N95.9Very high97.4Very high43 Ų4350.1 Ų50.123%0.2324%0.24CC..Hα-helixtrans-88.7-37.2179.5-69.6-34.3000110.8E240 R243 H244 K249E240-N246 PolarHBondContact O-ND2 3.5Å; R243-N246 PolarHBondContact O-N 3.04Å; H244-N246 PolarHBondContact O-N 3.11Å; N246-K249 PolarHBondContact O-N 3.21Å; N246-K249 PolarHBondContact OD1-NZ 3.41Å
247L97.2Very high97.4Very high1 Ų147.6 Ų47.61%0.00523%0.228CC..Hα-helixtrans-67.5-34175.4-66.3178.8000112.7F188 L242 R243 H244 K249 R250 I257 M261F188-L247 HydrophobicContact CB-CD2 4.3Å; F188-L247 HydrophobicContact CD1-CD2 4.05Å; L242-L247 HydrophobicContact CD2-CD2 4.08Å; L242-L247 WeakPolarHBondContact O-CD1 3.43Å; R243-L247 WeakPolarHBondContact O-CG 3.23Å; R243-L247 PolarHBondContact O-N 2.95Å; H244-L247 PolarHBondContact O-N 2.9Å; L247-K249 PolarHBondContact O-N 3.23Å; L247-R250 WeakPolarHBondContact O-CB 3.35Å; L247-R250 PolarHBondContact O-N 3.37Å; L247-R250 VanDerWaalsContact O-N 3.09Å; L247-I257 HydrophobicContact CD1-CG2 4Å; L247-M261 HydrophobicContact CB-CE 3.97Å; L247-M261 HydrophobicContact CB-SD 3.83Å; L247-M261 HydrophobicContact CD1-CG 4.36Å; L247-M261 HydrophobicContact CD1-SD 3.94Å
248Q96.4Very high97.4Very high139 Ų13949 Ų4965%0.6523%0.23SC*.THydrogen-bonded Turntrans-65.4-22176.7-75.8169.4-7.400113.4H244 R250 M261H244-Q248 WeakPolarHBondContact O-CB 3.28Å; H244-Q248 WeakPolarHBondContact O-CG 3.35Å; H244-Q248 PolarHBondContact O-N 2.71Å; Q248-R250 PolarHBondContact O-N 3.2Å; Q248-M261 HydrophobicContact CG-CE 3.77Å
249K94.4Very high97.4Very high111 Ų11151.1 Ų51.148%0.48324%0.241SC..THydrogen-bonded Turntrans-79.1-5.9175.6-61.7165.8-170156.80112.6E245 N246 L247E245-K249 WeakPolarHBondContact O-CD 3.31Å; E245-K249 WeakPolarHBondContact O-CE 3.22Å; E245-K249 WeakPolarHBondContact O-CG 3.1Å; N246-K249 PolarHBondContact O-N 3.21Å; N246-K249 PolarHBondContact OD1-NZ 3.41Å; L247-K249 PolarHBondContact O-N 3.23Å
250R95.4Very high97.4Very high39 Ų3951.5 Ų51.515%0.14724%0.243CC..  trans-99.1143.7-175.3-63-174.8169167.3-4.4111.9Y184 F188 R190 D191 L247 Q248 V253Y184-R250 PolarHBondContact OH-NH1 3Å; Y184-R250 PolarHBondContact OH-NH2 3.44Å; F188-R250 WeakPolarHBondContact O-CD 3.46Å; R190-R250 CarbonylContact O-C 3.52Å; R190-R250 VanDerWaalsContact O-CA 3.27Å; R190-R250 WeakPolarHBondContact O-CA 3.23Å; D191-R250 HydrophobicContact CB-CG 4.3Å; L247-R250 WeakPolarHBondContact O-CB 3.35Å; L247-R250 PolarHBondContact O-N 3.37Å; L247-R250 VanDerWaalsContact O-N 3.09Å; Q248-R250 PolarHBondContact O-N 3.2Å; R250-V253 HydrophobicContact CB-CG2 3.83Å
251E95.1Very high97.5Very high108 Ų10848.7 Ų48.751%0.50523%0.23SC..BIsolated β-bridgetrans-96.4159.5172.4-65.9-172.5-161.500111.5G189 R190 L192 V253G189-E251 CarbonylContact C-O 3.52Å; G189-E251 WeakPolarHBondContact CA-O 3.37Å; R190-E251 PolarHBondContact N-O 3.14Å; R190-E251 PolarHBondContact O-N 2.93Å; L192-E251 HydrophobicContact CD1-CB 4.49Å; L192-E251 HydrophobicContact CD1-CG 4.31Å; L192-E251 WeakPolarHBondContact CD1-OE2 3.48Å; L192-E251 HydrophobicContact CG-CG 4.46Å; E251-V253 PolarHBondContact O-N 3.37Å
252S96.3Very high97.5Very high63 Ų6353.5 Ų53.544%0.44125%0.248SC..SBendtrans56.730.2179.7-44.20000114.1R190 S254R190-S252 PolarHBondContact NH2-OG 3.33Å; S252-S254 PolarHBondContact O-N 2.74Å
253V97.9Very high97.6Very high14 Ų1454.5 Ų54.59%0.08525%0.253CS..  trans-62.4133.7174.1-177.60000109.5R250 E251 I257 R258R250-V253 HydrophobicContact CB-CG2 3.83Å; E251-V253 PolarHBondContact O-N 3.37Å; V253-I257 HydrophobicContact CG1-CB 3.65Å; V253-I257 HydrophobicContact CG1-CG2 3.57Å; V253-R258 HydrophobicContact CB-CG 4.09Å; V253-R258 HydrophobicContact CG1-CG 3.98Å; V253-R258 PolarHBondContact O-NE 2.77Å
254S98.6Very high97.6Very high9 Ų952.4 Ų52.46%0.06325%0.246CC..  trans-56.5152.7-178.865.90000112.6I187 S252 L256 I257 R258I187-S254 VanDerWaalsContact O-CB 3.26Å; I187-S254 WeakPolarHBondContact O-CB 3.48Å; I187-S254 PolarHBondContact O-N 2.94Å; I187-S254 VanDerWaalsContact O-N 3.16Å; I187-S254 PolarHBondContact O-OG 3.15Å; S252-S254 PolarHBondContact O-N 2.74Å; S254-L256 PolarHBondContact O-N 3.5Å; S254-I257 PolarHBondContact O-N 2.81Å; S254-I257 PolarHBondContact OG-N 3.25Å; S254-R258 WeakPolarHBondContact O-CG 3.36Å; S254-R258 PolarHBondContact O-N 2.6Å
255E98.4Very high97.5Very high83 Ų8355.5 Ų55.539%0.38826%0.263SS..Hα-helixtrans-57.9-34.1172.1-165.8179.7152.100112.1T132 A137 R258 L259T132-E255 HydrophobicContact CG2-CB 4.48Å; T132-E255 HydrophobicContact CG2-CG 4.14Å; A137-E255 HydrophobicContact CB-CB 4.47Å; A137-E255 WeakPolarHBondContact CB-OE2 3.39Å; E255-R258 PolarHBondContact O-N 3.23Å; E255-L259 VanDerWaalsContact O-CB 3.26Å; E255-L259 WeakPolarHBondContact O-CB 3.45Å; E255-L259 PolarHBondContact O-N 3.49Å
256L98.6Very high97.6Very high4 Ų454.1 Ų54.12%0.02126%0.261CS..Hα-helixtrans-54.6-55.6172.817159000111.7F129 T132 L133 S254 R260 V282F129-L256 HydrophobicContact CD1-CD1 3.68Å; F129-L256 HydrophobicContact CE1-CD1 3.94Å; T132-L256 VanDerWaalsContact OG1-CD1 3.3Å; T132-L256 WeakPolarHBondContact OG1-CD1 3.36Å; L133-L256 HydrophobicContact CD1-CD2 4.42Å; L133-L256 HydrophobicContact CD2-CD2 4.08Å; L133-L256 HydrophobicContact CG-CD2 4.39Å; S254-L256 PolarHBondContact O-N 3.5Å; L256-R260 HydrophobicContact CD1-CG 3.89Å; L256-R260 WeakPolarHBondContact O-CB 3.38Å; L256-R260 WeakPolarHBondContact O-CG 3.25Å; L256-R260 PolarHBondContact O-N 2.72Å; L256-V282 HydrophobicContact CD2-CG1 3.74Å
257I98.7Very high97.7Very high0 Ų055.3 Ų55.30%027%0.267CS..Hα-helixtrans-71.1-37.8-176.9-64.7-57.3000111.3I187 F188 L247 V253 S254 R260 M261 V282I187-I257 HydrophobicContact CG2-CD1 4.01Å; I187-I257 HydrophobicContact CG2-CG1 3.58Å; I187-I257 VanDerWaalsContact O-CG1 3.31Å; I187-I257 WeakPolarHBondContact O-CG1 3.18Å; F188-I257 HydrophobicContact CD1-CD1 3.99Å; F188-I257 HydrophobicContact CD1-CG1 3.84Å; F188-I257 HydrophobicContact CD1-CG2 4.3Å; F188-I257 HydrophobicContact CE1-CD1 3.42Å; F188-I257 VanDerWaalsContact CE1-CD1 3.42Å; F188-I257 HydrophobicContact CE1-CG1 3.8Å; F188-I257 HydrophobicContact CZ-CD1 4.05Å; L247-I257 HydrophobicContact CD1-CG2 4Å; V253-I257 HydrophobicContact CG1-CB 3.65Å; V253-I257 HydrophobicContact CG1-CG2 3.57Å; S254-I257 PolarHBondContact O-N 2.81Å; S254-I257 PolarHBondContact OG-N 3.25Å; I257-R260 PolarHBondContact O-N 3.34Å; I257-M261 HydrophobicContact CG2-CG 4.27Å; I257-M261 HydrophobicContact CG2-SD 3.93Å; I257-M261 WeakPolarHBondContact O-CB 3.21Å; I257-M261 VanDerWaalsContact O-CG 3.25Å; I257-M261 WeakPolarHBondContact O-CG 3.38Å; I257-M261 PolarHBondContact O-N 2.85Å; I257-V282 HydrophobicContact CD1-CB 4.34Å; I257-V282 HydrophobicContact CD1-CG1 3.93Å
258R98.6Very high97.8Very high147 Ų14756.2 Ų56.256%0.55527%0.274SS*.Hα-helixtrans-60.1-48.3174.9-72.7-175.6-69.5175.82112.1V253 S254 E255 M261 F262V253-R258 HydrophobicContact CB-CG 4.09Å; V253-R258 HydrophobicContact CG1-CG 3.98Å; V253-R258 PolarHBondContact O-NE 2.77Å; S254-R258 WeakPolarHBondContact O-CG 3.36Å; S254-R258 PolarHBondContact O-N 2.6Å; E255-R258 PolarHBondContact O-N 3.23Å; R258-M261 PolarHBondContact O-N 2.82Å; R258-F262 PolarHBondContact O-N 3Å
259L98.7Very high97.9Very high43 Ų4353.9 Ų53.923%0.22527%0.269CS..Hα-helixtrans-64.4-42.9177.2-179.559000110.9T128 T132 E255 M261 F262 L263T128-L259 HydrophobicContact CG2-CD2 3.89Å; T128-L259 HydrophobicContact CG2-CG 4.11Å; T132-L259 HydrophobicContact CG2-CB 4.24Å; T132-L259 HydrophobicContact CG2-CD2 3.67Å; E255-L259 VanDerWaalsContact O-CB 3.26Å; E255-L259 WeakPolarHBondContact O-CB 3.45Å; E255-L259 PolarHBondContact O-N 3.49Å; L259-M261 PolarHBondContact O-N 3.36Å; L259-F262 HydrophobicContact CD1-CD1 4.45Å; L259-F262 WeakPolarHBondContact O-CB 3.48Å; L259-F262 PolarHBondContact O-N 2.81Å; L259-L263 HydrophobicContact CD1-CD1 3.96Å; L259-L263 HydrophobicContact CD1-CD2 4.3Å; L259-L263 HydrophobicContact CD1-CG 3.93Å; L259-L263 HydrophobicContact CD2-CD1 4.39Å; L259-L263 HydrophobicContact CG-CD1 3.79Å; L259-L263 HydrophobicContact CG-CG 4.18Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.35Å; L259-L263 PolarHBondContact O-N 2.9Å
260R98.6Very high98.1Very high9 Ų949.1 Ų49.13%0.03425%0.249CC..Hα-helixtrans-60.9-40.4176.5-79.5-76.8-42.9-47.2-26.5113.1T128 L256 I257 N264 T278 H279T128-R260 HydrophobicContact CG2-CG 3.98Å; L256-R260 HydrophobicContact CD1-CG 3.89Å; L256-R260 WeakPolarHBondContact O-CB 3.38Å; L256-R260 WeakPolarHBondContact O-CG 3.25Å; L256-R260 PolarHBondContact O-N 2.72Å; I257-R260 PolarHBondContact O-N 3.34Å; R260-N264 VanDerWaalsContact O-CB 3.26Å; R260-N264 WeakPolarHBondContact O-CB 3.37Å; R260-N264 VanDerWaalsContact O-CG 3.29Å; R260-N264 PolarHBondContact O-N 2.88Å; R260-T278 PolarHBondContact NH1-O 2.89Å; R260-T278 VanDerWaalsContact NH1-O 3.09Å; R260-T278 PolarHBondContact NH2-O 3.32Å; R260-T278 PolarHBondContact NH2-OG1 3.33Å; R260-H279 PolarHBondContact NH2-CE1 2.89Å; R260-H279 PolarHBondContact NH2-ND1 3.04Å; R260-H279 VanDerWaalsContact NH2-ND1 3.12Å
261M98.8Very high98.2Very high21 Ų2151.4 Ų51.410%0.10326%0.264CS..Hα-helixtrans-61.8-48.7173.5-71.8168.565.600110.5H244 L247 Q248 I257 R258 L259 L263 N264 D265H244-M261 HydrophobicContact CB-CE 4.18Å; H244-M261 PolarHBondContact CE1-O 2.82Å; L247-M261 HydrophobicContact CB-CE 3.97Å; L247-M261 HydrophobicContact CB-SD 3.83Å; L247-M261 HydrophobicContact CD1-CG 4.36Å; L247-M261 HydrophobicContact CD1-SD 3.94Å; Q248-M261 HydrophobicContact CG-CE 3.77Å; I257-M261 HydrophobicContact CG2-CG 4.27Å; I257-M261 HydrophobicContact CG2-SD 3.93Å; I257-M261 WeakPolarHBondContact O-CB 3.21Å; I257-M261 VanDerWaalsContact O-CG 3.25Å; I257-M261 WeakPolarHBondContact O-CG 3.38Å; I257-M261 PolarHBondContact O-N 2.85Å; R258-M261 PolarHBondContact O-N 2.82Å; L259-M261 PolarHBondContact O-N 3.36Å; M261-L263 PolarHBondContact O-N 3.25Å; M261-N264 WeakPolarHBondContact O-CB 3.36Å; M261-N264 PolarHBondContact O-N 3.46Å; M261-D265 PolarHBondContact O-N 3.44Å
262F98.7Very high98.4Very high124 Ų12451.1 Ų51.154%0.54427%0.266SS..Hα-helixtrans-58.9-44.8177176.7-96000112.8R258 L259 D265 T266R258-F262 PolarHBondContact O-N 3Å; L259-F262 HydrophobicContact CD1-CD1 4.45Å; L259-F262 WeakPolarHBondContact O-CB 3.48Å; L259-F262 PolarHBondContact O-N 2.81Å; F262-D265 PolarHBondContact O-N 2.96Å; F262-T266 HydrophobicContact CD1-CG2 4.49Å; F262-T266 HydrophobicContact CD2-CG2 4.18Å; F262-T266 HydrophobicContact CE1-CG2 4.13Å; F262-T266 HydrophobicContact CE2-CG2 3.8Å; F262-T266 HydrophobicContact CZ-CG2 3.78Å; F262-T266 WeakPolarHBondContact O-CB 3.38Å; F262-T266 WeakPolarHBondContact O-CG2 3.15Å; F262-T266 PolarHBondContact O-N 3.39Å; F262-T266 PolarHBondContact O-OG1 2.93Å
263L98.6Very high98.5Very high22 Ų2250.8 Ų50.812%0.11526%0.259CS..Hα-helixtrans-70.7-34.9179.5-64176.2000112.3E123 T128 L259 M261 D265 T266 L267E123-L263 HydrophobicContact CG-CB 4.46Å; E123-L263 HydrophobicContact CG-CD1 4Å; E123-L263 WeakPolarHBondContact OE1-CD1 3.43Å; T128-L263 HydrophobicContact CG2-CD1 3.91Å; T128-L263 WeakPolarHBondContact OG1-CD1 3.44Å; L259-L263 HydrophobicContact CD1-CD1 3.96Å; L259-L263 HydrophobicContact CD1-CD2 4.3Å; L259-L263 HydrophobicContact CD1-CG 3.93Å; L259-L263 HydrophobicContact CD2-CD1 4.39Å; L259-L263 HydrophobicContact CG-CD1 3.79Å; L259-L263 HydrophobicContact CG-CG 4.18Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.35Å; L259-L263 PolarHBondContact O-N 2.9Å; M261-L263 PolarHBondContact O-N 3.25Å; L263-D265 VanDerWaalsContact C-N 3.27Å; L263-D265 PolarHBondContact O-N 3.42Å; L263-T266 PolarHBondContact O-N 2.85Å; L263-L267 HydrophobicContact CD2-CD1 3.68Å; L263-L267 HydrophobicContact CD2-CG 4.16Å; L263-L267 WeakPolarHBondContact O-CA 3.12Å; L263-L267 WeakPolarHBondContact O-CB 3.5Å; L263-L267 PolarHBondContact O-N 3.33Å
264N98.5Very high98.5Very high2 Ų250.9 Ų50.91%0.01126%0.258CS..Hα-helixtrans-59.6-39.5169.9-86.5-9.4000111.4R260 M261 S268 K275 T278R260-N264 VanDerWaalsContact O-CB 3.26Å; R260-N264 WeakPolarHBondContact O-CB 3.37Å; R260-N264 VanDerWaalsContact O-CG 3.29Å; R260-N264 PolarHBondContact O-N 2.88Å; M261-N264 WeakPolarHBondContact O-CB 3.36Å; M261-N264 PolarHBondContact O-N 3.46Å; N264-S268 WeakPolarHBondContact O-CB 3.48Å; N264-S268 PolarHBondContact O-OG 2.86Å; N264-K275 HydrophobicContact CB-CD 4.19Å; N264-K275 HydrophobicContact CB-CG 3.95Å; N264-T278 PolarHBondContact ND2-OG1 3.29Å
265D98.4Very high98.6Very high81 Ų8151.8 Ų51.843%0.43326%0.261SS..Hα-helixtrans-80-24.8-178.4-65.9-25.9000113.4H244 M261 F262 L263 K275H244-D265 IonicContact CE1-OD1 2.73Å; H244-D265 PolarHBondContact CE1-OD1 2.71Å; H244-D265 IonicContact CE1-OD2 3.76Å; H244-D265 IonicContact ND1-OD1 3.78Å; H244-D265 PolarHBondContact ND1-OD1 2.82Å; H244-D265 IonicContact ND1-OD2 3.94Å; H244-D265 PolarHBondContact ND1-OD2 3.27Å; M261-D265 PolarHBondContact O-N 3.44Å; F262-D265 PolarHBondContact O-N 2.96Å; L263-D265 VanDerWaalsContact C-N 3.27Å; L263-D265 PolarHBondContact O-N 3.42Å; D265-K275 WeakPolarHBondContact OD1-CE 3.3Å; D265-K275 IonicContact OD1-NZ 2.82Å; D265-K275 PolarHBondContact OD1-NZ 3.46Å
266T98.4Very high98.6Very high73 Ų7347.8 Ų47.845%0.44824%0.242SC..Hα-helixtrans-107.3-31.5-173.153.90000114.8F262 L263F262-T266 HydrophobicContact CD1-CG2 4.49Å; F262-T266 HydrophobicContact CD2-CG2 4.18Å; F262-T266 HydrophobicContact CE1-CG2 4.13Å; F262-T266 HydrophobicContact CE2-CG2 3.8Å; F262-T266 HydrophobicContact CZ-CG2 3.78Å; F262-T266 WeakPolarHBondContact O-CB 3.38Å; F262-T266 WeakPolarHBondContact O-CG2 3.15Å; F262-T266 PolarHBondContact O-N 3.39Å; F262-T266 PolarHBondContact O-OG1 2.93Å; L263-T266 PolarHBondContact O-N 2.85Å
267L98.3Very high98.6Very high68 Ų6847.7 Ų47.736%0.35624%0.242SC..Hα-helixtrans-118.34.9-172.8-57.5-171.7000113.5T121 T122 E123 L263T121-L267 CarbonylContact C-O 3.53Å; T121-L267 WeakPolarHBondContact CA-O 3.38Å; T121-L267 WeakPolarHBondContact CB-O 3.49Å; T121-L267 PolarHBondContact OG1-O 3.49Å; T122-L267 PolarHBondContact N-O 3.17Å; E123-L267 HydrophobicContact CB-CD1 4.48Å; L263-L267 HydrophobicContact CD2-CD1 3.68Å; L263-L267 HydrophobicContact CD2-CG 4.16Å; L263-L267 WeakPolarHBondContact O-CA 3.12Å; L263-L267 WeakPolarHBondContact O-CB 3.5Å; L263-L267 PolarHBondContact O-N 3.33Å
268S98.3Very high98.6Very high21 Ų2148.3 Ų48.315%0.14725%0.245CC..BIsolated β-bridgetrans-127.8158.7-179.495.30000112.7N120 N264 F270N120-S268 CarbonylContact O-C 3.57Å; N120-S268 WeakPolarHBondContact O-CA 3.38Å; N264-S268 WeakPolarHBondContact O-CB 3.48Å; N264-S268 PolarHBondContact O-OG 2.86Å; S268-F270 VanDerWaalsContact CB-CD2 3.49Å; S268-F270 WeakPolarHBondContact OG-CD2 3.5Å; S268-F270 PolarHBondContact OG-N 3.36Å
269T98.5Very high98.6Very high89 Ų8941.3 Ų41.355%0.54622%0.219SC..  trans-109.321.5171.658.10000111.5R112 N120R112-T269 PolarHBondContact NH2-O 2.81Å; N120-T269 PolarHBondContact O-N 2.94Å; N120-T269 PolarHBondContact O-OG1 3.45Å
270F98.6Very high98.6Very high12 Ų1239.2 Ų39.25%0.05321%0.208CC..  trans-68.8141179-68.5-44.5000111.2R112 I114 N120 T121 S268 E274 K275 T278R112-F270 HydrophobicContact CB-CE1 4.07Å; I114-F270 HydrophobicContact CG2-CE2 4.13Å; I114-F270 HydrophobicContact CG2-CZ 3.75Å; N120-F270 HydrophobicContact CB-CD1 4.44Å; N120-F270 HydrophobicContact CB-CE1 3.67Å; N120-F270 HydrophobicContact CB-CZ 3.98Å; T121-F270 HydrophobicContact CG2-CE2 4.32Å; T121-F270 HydrophobicContact CG2-CZ 4.39Å; S268-F270 VanDerWaalsContact CB-CD2 3.49Å; S268-F270 WeakPolarHBondContact OG-CD2 3.5Å; S268-F270 PolarHBondContact OG-N 3.36Å; F270-E274 WeakPolarHBondContact CA-OE2 3.32Å; F270-E274 HydrophobicContact CB-CB 3.74Å; F270-E274 HydrophobicContact CD1-CB 4.02Å; F270-E274 HydrophobicContact CG-CB 4.08Å; F270-K275 HydrophobicContact CB-CG 3.93Å; F270-K275 VanDerWaalsContact O-CE 3.26Å; F270-K275 WeakPolarHBondContact O-CE 2.97Å; F270-T278 HydrophobicContact CD2-CG2 4.36Å; F270-T278 HydrophobicContact CE2-CG2 4.29Å
271D98.6Very high98.6Very high87 Ų8740.3 Ų40.347%0.46522%0.215SC..  trans-71.3170.9168.670.746.4000111.2L273 E274 K275D271-L273 PolarHBondContact O-N 3.42Å; D271-L273 WeakPolarHBondContact OD1-CA 3.29Å; D271-L273 WeakPolarHBondContact OD1-CB 3.27Å; D271-L273 PolarHBondContact OD1-N 2.89Å; D271-E274 PolarHBondContact N-OE2 3.42Å; D271-E274 VanDerWaalsContact N-OE2 3.09Å; D271-E274 PolarHBondContact O-N 3.44Å; D271-E274 PolarHBondContact OD1-N 3.32Å; D271-K275 WeakPolarHBondContact O-CG 3.36Å; D271-K275 PolarHBondContact O-N 2.89Å
272D98.6Very high98.6Very high102 Ų10239.6 Ų39.655%0.54521%0.212SC..Hα-helixtrans-60.9-32.9-175.7-65.6-29.4000113.6A276D272-A276 PolarHBondContact O-N 2.88Å; D272-A276 VanDerWaalsContact O-N 3.14Å
273L98.6Very high98.6Very high56 Ų5633.7 Ų33.729%0.29319%0.186SC..Hα-helixtrans-74.5-42.5178.4179.860.6000110A239 D271 K275 A276 K277A239-L273 HydrophobicContact CB-CD1 3.89Å; D271-L273 PolarHBondContact O-N 3.42Å; D271-L273 WeakPolarHBondContact OD1-CA 3.29Å; D271-L273 WeakPolarHBondContact OD1-CB 3.27Å; D271-L273 PolarHBondContact OD1-N 2.89Å; L273-K275 PolarHBondContact O-N 3.48Å; L273-A276 CarbonylContact O-C 3.56Å; L273-A276 WeakPolarHBondContact O-CA 3.38Å; L273-A276 WeakPolarHBondContact O-CB 3.42Å; L273-A276 PolarHBondContact O-N 2.94Å; L273-A276 VanDerWaalsContact O-N 3.09Å; L273-K277 WeakPolarHBondContact O-CG 3.37Å; L273-K277 PolarHBondContact O-N 3.33Å
274E98.6Very high98.7Very high15 Ų1534.1 Ų34.17%0.0719%0.186CC..Hα-helixtrans-60.6-43.6174.6-71.8-176.711700111.8R112 F270 D271 A276 K277 T278R112-E274 WeakPolarHBondContact CB-OE1 3.19Å; R112-E274 WeakPolarHBondContact CG-OE1 3.46Å; R112-E274 IonicContact CZ-OE1 3.22Å; R112-E274 IonicContact CZ-OE2 3.29Å; R112-E274 VanDerWaalsContact CZ-OE2 3.32Å; R112-E274 PolarHBondContact N-OE1 2.72Å; R112-E274 IonicContact NE-OE1 3.9Å; R112-E274 PolarHBondContact NE-OE1 3.44Å; R112-E274 IonicContact NE-OE2 3.81Å; R112-E274 PolarHBondContact NE-OE2 2.82Å; R112-E274 VanDerWaalsContact NE-OE2 3.12Å; R112-E274 IonicContact NH2-OE1 2.76Å; R112-E274 IonicContact NH2-OE2 3.67Å; R112-E274 PolarHBondContact NH2-OE2 3.43Å; F270-E274 WeakPolarHBondContact CA-OE2 3.32Å; F270-E274 HydrophobicContact CB-CB 3.74Å; F270-E274 HydrophobicContact CD1-CB 4.02Å; F270-E274 HydrophobicContact CG-CB 4.08Å; D271-E274 PolarHBondContact N-OE2 3.42Å; D271-E274 VanDerWaalsContact N-OE2 3.09Å; D271-E274 PolarHBondContact O-N 3.44Å; D271-E274 PolarHBondContact OD1-N 3.32Å; E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 2.82Å; E274-K277 WeakPolarHBondContact O-CA 3.41Å; E274-K277 WeakPolarHBondContact O-CB 3.29Å; E274-K277 PolarHBondContact O-N 2.85Å; E274-T278 WeakPolarHBondContact O-CG2 3.49Å; E274-T278 PolarHBondContact O-N 3.43Å
275K98.8Very high98.7Very high28 Ų2836.9 Ų36.912%0.12221%0.21CC..Hα-helixtrans-55-45.1171.2-69177.7-175.2176.40110.7N264 D265 F270 D271 L273 K277 T278 H279N264-K275 HydrophobicContact CB-CD 4.19Å; N264-K275 HydrophobicContact CB-CG 3.95Å; D265-K275 WeakPolarHBondContact OD1-CE 3.3Å; D265-K275 IonicContact OD1-NZ 2.82Å; D265-K275 PolarHBondContact OD1-NZ 3.46Å; F270-K275 HydrophobicContact CB-CG 3.93Å; F270-K275 VanDerWaalsContact O-CE 3.26Å; F270-K275 WeakPolarHBondContact O-CE 2.97Å; D271-K275 WeakPolarHBondContact O-CG 3.36Å; D271-K275 PolarHBondContact O-N 2.89Å; L273-K275 PolarHBondContact O-N 3.48Å; K275-K277 PolarHBondContact O-N 2.8Å; K275-T278 PolarHBondContact O-N 2.96Å; K275-T278 PolarHBondContact O-OG1 2.9Å; K275-H279 PolarHBondContact O-CD2 3.32Å; K275-H279 PolarHBondContact O-N 3.28Å
276A98.9Very high98.7Very high0 Ų034 Ų340%020%0.196CC..Hα-helixtrans-64.6-37.4175.900000113.3A239 R243 D272 L273 E274 T278 H279 L280A239-A276 HydrophobicContact CB-CB 4.45Å; A239-A276 WeakPolarHBondContact O-CB 3.47Å; R243-A276 HydrophobicContact CG-CB 4.03Å; D272-A276 PolarHBondContact O-N 2.88Å; D272-A276 VanDerWaalsContact O-N 3.14Å; L273-A276 CarbonylContact O-C 3.56Å; L273-A276 WeakPolarHBondContact O-CA 3.38Å; L273-A276 WeakPolarHBondContact O-CB 3.42Å; L273-A276 PolarHBondContact O-N 2.94Å; L273-A276 VanDerWaalsContact O-N 3.09Å; E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 2.82Å; A276-T278 VanDerWaalsContact C-N 3.33Å; A276-T278 PolarHBondContact O-N 3.31Å; A276-H279 WeakPolarHBondContact O-CB 3.1Å; A276-H279 PolarHBondContact O-N 2.93Å; A276-H279 VanDerWaalsContact O-N 3.11Å; A276-L280 PolarHBondContact O-N 2.97Å
277K98.8Very high98.7Very high2 Ų230.6 Ų30.61%0.00918%0.175CC..Hα-helixtrans-62.2-37.8173.4-65.4-55.2-176.9174.10112.4F109 H111 R235 E236 A239 L273 E274 K275 H279 L280 V281F109-K277 VanDerWaalsContact O-CD 3.29Å; F109-K277 WeakPolarHBondContact O-CD 3.08Å; H111-K277 HydrophobicContact CB-CB 4.04Å; R235-K277 PolarHBondContact O-NZ 3.26Å; E236-K277 IonicContact OE1-NZ 3.87Å; E236-K277 PolarHBondContact OE1-NZ 3.02Å; E236-K277 VanDerWaalsContact OE2-CE 3.31Å; E236-K277 WeakPolarHBondContact OE2-CE 3.37Å; E236-K277 IonicContact OE2-NZ 2.69Å; E236-K277 PolarHBondContact OE2-NZ 3.15Å; A239-K277 HydrophobicContact CB-CD 3.58Å; L273-K277 WeakPolarHBondContact O-CG 3.37Å; L273-K277 PolarHBondContact O-N 3.33Å; E274-K277 WeakPolarHBondContact O-CA 3.41Å; E274-K277 WeakPolarHBondContact O-CB 3.29Å; E274-K277 PolarHBondContact O-N 2.85Å; K275-K277 PolarHBondContact O-N 2.8Å; K277-H279 PolarHBondContact O-N 2.84Å; K277-L280 HydrophobicContact CD-CD2 4.3Å; K277-L280 WeakPolarHBondContact O-CB 3.28Å; K277-L280 PolarHBondContact O-N 3.08Å; K277-L280 VanDerWaalsContact O-N 3.13Å; K277-V281 WeakPolarHBondContact O-CG2 3.16Å; K277-V281 PolarHBondContact O-N 3.41Å
278T98.8Very high98.7Very high12 Ų1227.8 Ų27.87%0.07416%0.161CC..Hα-helixtrans-64.9-26.7175.265.70000112.6R260 N264 F270 E274 K275 A276R260-T278 PolarHBondContact NH1-O 2.89Å; R260-T278 VanDerWaalsContact NH1-O 3.09Å; R260-T278 PolarHBondContact NH2-O 3.32Å; R260-T278 PolarHBondContact NH2-OG1 3.33Å; N264-T278 PolarHBondContact ND2-OG1 3.29Å; F270-T278 HydrophobicContact CD2-CG2 4.36Å; F270-T278 HydrophobicContact CE2-CG2 4.29Å; E274-T278 WeakPolarHBondContact O-CG2 3.49Å; E274-T278 PolarHBondContact O-N 3.43Å; K275-T278 PolarHBondContact O-N 2.96Å; K275-T278 PolarHBondContact O-OG1 2.9Å; A276-T278 VanDerWaalsContact C-N 3.33Å; A276-T278 PolarHBondContact O-N 3.31Å
279H98.9Very high98.7Very high0 Ų029 Ų290%017%0.167CC..Hα-helixtrans-77.3-36.3170.8-62.6-36.4000112.2F188 L242 H244 R260 K275 A276 K277 V281 V282 L283F188-H279 HydrophobicContact CE1-CB 4.14Å; L242-H279 HydrophobicContact CB-CB 4.15Å; L242-H279 HydrophobicContact CD1-CB 4.36Å; L242-H279 PolarHBondContact O-CD2 3.36Å; H244-H279 AromaticContact CD2-CD2 3.89Å; H244-H279 AromaticContact CD2-NE2 3.34Å; H244-H279 PolarHBondContact CD2-NE2 3.17Å; H244-H279 VanDerWaalsContact CD2-NE2 3.34Å; H244-H279 AromaticContact NE2-CD2 3.9Å; H244-H279 AromaticContact NE2-CE1 3.93Å; H244-H279 AromaticContact NE2-NE2 2.98Å; H244-H279 PolarHBondContact NE2-NE2 2.85Å; R260-H279 PolarHBondContact NH2-CE1 2.89Å; R260-H279 PolarHBondContact NH2-ND1 3.04Å; R260-H279 VanDerWaalsContact NH2-ND1 3.12Å; K275-H279 PolarHBondContact O-CD2 3.32Å; K275-H279 PolarHBondContact O-N 3.28Å; A276-H279 WeakPolarHBondContact O-CB 3.1Å; A276-H279 PolarHBondContact O-N 2.93Å; A276-H279 VanDerWaalsContact O-N 3.11Å; K277-H279 PolarHBondContact O-N 2.84Å; H279-V281 VanDerWaalsContact C-N 3.29Å; H279-V281 PolarHBondContact O-N 2.84Å; H279-V282 PolarHBondContact O-N 2.97Å; H279-V282 VanDerWaalsContact O-N 3.08Å; H279-L283 PolarHBondContact O-N 3.23Å
280L98.9Very high98.7Very high0 Ų025.3 Ų25.30%014%0.144CC..Hα-helixtrans-61.9-35.2172-179.957000112.4F109 R235 L238 L242 A276 K277 V282 L283 W284F109-L280 HydrophobicContact CD1-CB 4.48Å; F109-L280 HydrophobicContact CD1-CD2 4.22Å; F109-L280 HydrophobicContact CD1-CG 3.9Å; F109-L280 HydrophobicContact CE1-CG 4.18Å; R235-L280 HydrophobicContact CG-CD2 3.65Å; L238-L280 HydrophobicContact CB-CD1 3.81Å; L238-L280 HydrophobicContact CB-CD2 4.27Å; L238-L280 HydrophobicContact CD1-CD1 3.91Å; L238-L280 HydrophobicContact CG-CD1 4.41Å; L242-L280 HydrophobicContact CD1-CB 4.02Å; L242-L280 HydrophobicContact CD1-CD1 4.34Å; A276-L280 PolarHBondContact O-N 2.97Å; K277-L280 HydrophobicContact CD-CD2 4.3Å; K277-L280 WeakPolarHBondContact O-CB 3.28Å; K277-L280 PolarHBondContact O-N 3.08Å; K277-L280 VanDerWaalsContact O-N 3.13Å; L280-V282 VanDerWaalsContact C-N 3.29Å; L280-V282 PolarHBondContact O-N 3.25Å; L280-L283 HydrophobicContact CD1-CB 4.38Å; L280-L283 HydrophobicContact CD1-CD2 3.96Å; L280-L283 PolarHBondContact O-N 3.17Å; L280-W284 PolarHBondContact O-N 3.38Å
281V98.9Very high98.8Very high31 Ų3124.8 Ų24.819%0.18814%0.141CC..Hα-helixtrans-57-44.6171.1173.90000110.6S105 F109 K277 H279 W284 A285S105-V281 WeakPolarHBondContact OG-CG2 3.47Å; F109-V281 HydrophobicContact CB-CG2 3.87Å; F109-V281 HydrophobicContact CD1-CG2 3.92Å; F109-V281 HydrophobicContact CD2-CB 4.47Å; F109-V281 HydrophobicContact CD2-CG2 3.54Å; F109-V281 HydrophobicContact CE1-CG2 4.32Å; F109-V281 HydrophobicContact CE2-CB 4.48Å; F109-V281 HydrophobicContact CE2-CG1 4.45Å; F109-V281 HydrophobicContact CE2-CG2 4Å; F109-V281 HydrophobicContact CG-CG2 3.49Å; F109-V281 VanDerWaalsContact CG-CG2 3.49Å; F109-V281 HydrophobicContact CZ-CG2 4.37Å; K277-V281 WeakPolarHBondContact O-CG2 3.16Å; K277-V281 PolarHBondContact O-N 3.41Å; H279-V281 VanDerWaalsContact C-N 3.29Å; H279-V281 PolarHBondContact O-N 2.84Å; V281-W284 PolarHBondContact O-N 3.2Å; V281-A285 WeakPolarHBondContact O-CB 3.34Å; V281-A285 PolarHBondContact O-N 3.41Å
282V98.8Very high98.8Very high6 Ų620.8 Ų20.84%0.03612%0.12CC..Hα-helixtrans-68.7-39.2177.9169.70000111.8F129 I187 F188 L256 I257 H279 L280 W284 A285 S286F129-V282 HydrophobicContact CE1-CG2 3.97Å; F129-V282 HydrophobicContact CZ-CG2 4.33Å; I187-V282 HydrophobicContact CG2-CG1 4.16Å; F188-V282 HydrophobicContact CZ-CG1 4.44Å; L256-V282 HydrophobicContact CD2-CG1 3.74Å; I257-V282 HydrophobicContact CD1-CB 4.34Å; I257-V282 HydrophobicContact CD1-CG1 3.93Å; H279-V282 PolarHBondContact O-N 2.97Å; H279-V282 VanDerWaalsContact O-N 3.08Å; L280-V282 VanDerWaalsContact C-N 3.29Å; L280-V282 PolarHBondContact O-N 3.25Å; V282-W284 VanDerWaalsContact C-N 3.33Å; V282-W284 PolarHBondContact O-N 2.83Å; V282-A285 PolarHBondContact O-N 2.92Å; V282-S286 PolarHBondContact O-N 3.48Å; V282-S286 PolarHBondContact O-OG 2.94Å
283L98.9Very high98.8Very high0 Ų016.1 Ų16.10%010%0.096CC..Hα-helixtrans-58.1-47.1174.4174.761.8000111F180 Y184 F188 F209 L238 L242 H279 L280 S286 Q287F180-L283 HydrophobicContact CE2-CD1 4.13Å; F180-L283 HydrophobicContact CZ-CD1 4.5Å; Y184-L283 HydrophobicContact CD2-CD1 3.72Å; Y184-L283 HydrophobicContact CD2-CD2 4.36Å; Y184-L283 HydrophobicContact CE2-CD1 4.34Å; Y184-L283 HydrophobicContact CE2-CD2 4.25Å; F188-L283 HydrophobicContact CD2-CD1 4.4Å; F188-L283 HydrophobicContact CE2-CB 3.75Å; F188-L283 HydrophobicContact CE2-CD1 3.7Å; F188-L283 HydrophobicContact CE2-CG 4.28Å; F188-L283 HydrophobicContact CZ-CB 3.71Å; F209-L283 HydrophobicContact CD2-CD2 4.27Å; F209-L283 HydrophobicContact CD2-CG 4.29Å; F209-L283 HydrophobicContact CE2-CG 4.37Å; L238-L283 HydrophobicContact CD2-CD2 4.22Å; L242-L283 HydrophobicContact CD1-CB 4.49Å; L242-L283 HydrophobicContact CD1-CD2 4.25Å; H279-L283 PolarHBondContact O-N 3.23Å; L280-L283 HydrophobicContact CD1-CB 4.38Å; L280-L283 HydrophobicContact CD1-CD2 3.96Å; L280-L283 PolarHBondContact O-N 3.17Å; L283-S286 PolarHBondContact O-N 3.27Å; L283-S286 PolarHBondContact O-OG 3.35Å; L283-Q287 HydrophobicContact CD1-CG 3.8Å; L283-Q287 WeakPolarHBondContact O-CB 3.35Å; L283-Q287 WeakPolarHBondContact O-CG 3.46Å; L283-Q287 PolarHBondContact O-N 2.82Å
284W98.9Very high98.8Very high31 Ų3113.4 Ų13.412%0.1178%0.082CC..Hα-helixtrans-64.5-44.5177.4-173.791.7000111.5F109 F209 D213 F216 L280 V281 V282 S286 Q287 A288F109-W284 HydrophobicContact CE1-CB 3.66Å; F109-W284 HydrophobicContact CE1-CG 4.11Å; F109-W284 HydrophobicContact CZ-CB 3.58Å; F109-W284 HydrophobicContact CZ-CD2 4.08Å; F109-W284 HydrophobicContact CZ-CE3 4.37Å; F109-W284 AromaticContact CZ-CG 3.72Å; F109-W284 HydrophobicContact CZ-CG 3.72Å; F209-W284 HydrophobicContact CE2-CB 4.15Å; F209-W284 AromaticContact CE2-CD1 3.88Å; F209-W284 HydrophobicContact CE2-CG 4.35Å; D213-W284 PolarHBondContact OD1-NE1 2.94Å; F216-W284 AromaticContact CD1-CE2 3.84Å; F216-W284 HydrophobicContact CD1-CH2 4.17Å; F216-W284 AromaticContact CD1-CZ2 3.44Å; F216-W284 HydrophobicContact CD1-CZ2 3.44Å; F216-W284 VanDerWaalsContact CD1-CZ2 3.44Å; F216-W284 AromaticContact CD2-CE2 3.87Å; F216-W284 HydrophobicContact CD2-CZ2 4.33Å; F216-W284 AromaticContact CD2-NE1 3.52Å; F216-W284 HydrophobicContact CE1-CD2 4.39Å; F216-W284 AromaticContact CE1-CE2 3.72Å; F216-W284 AromaticContact CE1-CH2 3.63Å; F216-W284 HydrophobicContact CE1-CH2 3.63Å; F216-W284 AromaticContact CE1-CZ2 3.31Å; F216-W284 HydrophobicContact CE1-CZ2 3.31Å; F216-W284 HydrophobicContact CE1-CZ3 4.27Å; F216-W284 HydrophobicContact CE2-CD2 4.03Å; F216-W284 AromaticContact CE2-CE2 3.77Å; F216-W284 HydrophobicContact CE2-CG 4.25Å; F216-W284 HydrophobicContact CE2-CZ2 4.25Å; F216-W284 AromaticContact CE2-NE1 3.78Å; F216-W284 AromaticContact CG-CE2 3.9Å; F216-W284 AromaticContact CG-CZ2 3.95Å; F216-W284 HydrophobicContact CG-CZ2 3.95Å; F216-W284 AromaticContact CG-NE1 3.68Å; F216-W284 AromaticContact CZ-CD2 3.95Å; F216-W284 HydrophobicContact CZ-CD2 3.95Å; F216-W284 AromaticContact CZ-CE2 3.68Å; F216-W284 HydrophobicContact CZ-CE3 4.22Å; F216-W284 HydrophobicContact CZ-CH2 4.05Å; F216-W284 AromaticContact CZ-CZ2 3.75Å; F216-W284 HydrophobicContact CZ-CZ2 3.75Å; F216-W284 HydrophobicContact CZ-CZ3 4.27Å; L280-W284 PolarHBondContact O-N 3.38Å; V281-W284 PolarHBondContact O-N 3.2Å; V282-W284 VanDerWaalsContact C-N 3.33Å; V282-W284 PolarHBondContact O-N 2.83Å; W284-S286 VanDerWaalsContact C-N 3.3Å; W284-S286 PolarHBondContact O-N 3.01Å; W284-Q287 PolarHBondContact O-N 2.93Å; W284-A288 HydrophobicContact CD2-CB 3.76Å; W284-A288 VanDerWaalsContact CE2-CB 3.42Å; W284-A288 HydrophobicContact CE3-CB 4.23Å; W284-A288 HydrophobicContact CG-CB 4.21Å; W284-A288 HydrophobicContact CH2-CB 4.09Å; W284-A288 HydrophobicContact CZ2-CB 3.6Å; W284-A288 HydrophobicContact CZ3-CB 4.38Å; W284-A288 WeakPolarHBondContact O-CB 3.37Å; W284-A288 PolarHBondContact O-N 3.31Å
285A98.6Very high98.8Very high61 Ų6112.7 Ų12.750%0.5048%0.078SC..Hα-helixtrans-61.5-35179.800000113.4V281 V282V281-A285 WeakPolarHBondContact O-CB 3.34Å; V281-A285 PolarHBondContact O-N 3.41Å; V282-A285 PolarHBondContact O-N 2.92Å
286S98.7Very high98.8Very high21 Ų2111.6 Ų11.615%0.1477%0.073CC..Hα-helixtrans-82.8-18.6178.766.10000114.1V282 L283 W284 T290V282-S286 PolarHBondContact O-N 3.48Å; V282-S286 PolarHBondContact O-OG 2.94Å; L283-S286 PolarHBondContact O-N 3.27Å; L283-S286 PolarHBondContact O-OG 3.35Å; W284-S286 VanDerWaalsContact C-N 3.3Å; W284-S286 PolarHBondContact O-N 3.01Å; S286-T290 WeakPolarHBondContact O-CB 3.27Å; S286-T290 PolarHBondContact O-OG1 3.46Å
287Q98.7Very high98.8Very high0 Ų011.6 Ų11.60%07%0.073CC..Hα-helixtrans-110.4-41.3-172.1-64.7-64-16.600113.9F180 F209 L283 W284 N289 T290 I291F180-Q287 HydrophobicContact CD2-CB 4.44Å; F180-Q287 HydrophobicContact CD2-CG 4.01Å; F180-Q287 HydrophobicContact CE2-CG 4.31Å; F180-Q287 PolarHBondContact O-NE2 2.97Å; F209-Q287 HydrophobicContact CE1-CB 3.74Å; F209-Q287 HydrophobicContact CE2-CB 4.43Å; F209-Q287 HydrophobicContact CZ-CB 3.63Å; L283-Q287 HydrophobicContact CD1-CG 3.8Å; L283-Q287 WeakPolarHBondContact O-CB 3.35Å; L283-Q287 WeakPolarHBondContact O-CG 3.46Å; L283-Q287 PolarHBondContact O-N 2.82Å; W284-Q287 PolarHBondContact O-N 2.93Å; Q287-N289 PolarHBondContact O-N 3.09Å; Q287-T290 PolarHBondContact O-N 2.69Å; Q287-I291 HydrophobicContact CB-CD1 4.16Å; Q287-I291 WeakPolarHBondContact O-CG1 3.49Å; Q287-I291 PolarHBondContact O-N 3.46Å; Q287-I291 VanDerWaalsContact O-N 3.15Å
288A98.5Very high98.8Very high9 Ų911.5 Ų11.57%0.0747%0.073CC..THydrogen-bonded Turntrans-61.9-26-166.600000114.1W284 P292W284-A288 HydrophobicContact CD2-CB 3.76Å; W284-A288 VanDerWaalsContact CE2-CB 3.42Å; W284-A288 HydrophobicContact CE3-CB 4.23Å; W284-A288 HydrophobicContact CG-CB 4.21Å; W284-A288 HydrophobicContact CH2-CB 4.09Å; W284-A288 HydrophobicContact CZ2-CB 3.6Å; W284-A288 HydrophobicContact CZ3-CB 4.38Å; W284-A288 WeakPolarHBondContact O-CB 3.37Å; W284-A288 PolarHBondContact O-N 3.31Å; A288-P292 WeakPolarHBondContact O-CD 3.42Å; A288-P292 WeakPolarHBondContact O-CG 3.46Å
289N98.9Very high98.8Very high48 Ų4810.9 Ų10.926%0.2577%0.069SC..THydrogen-bonded Turntrans-104.2-34.6177.4-73-61.2000113.2Q287 I291 P292 A293 G487 I488Q287-N289 PolarHBondContact O-N 3.09Å; N289-I291 PolarHBondContact O-N 3.25Å; N289-P292 WeakPolarHBondContact O-CD 3.36Å; N289-P292 WeakPolarHBondContact O-CG 3.38Å; N289-A293 WeakPolarHBondContact O-CB 3.17Å; N289-A293 PolarHBondContact O-N 3.08Å; N289-G487 VanDerWaalsContact OD1-CA 3.28Å; N289-G487 WeakPolarHBondContact OD1-CA 3.43Å; N289-I488 HydrophobicContact CB-CG1 4.23Å; N289-I488 PolarHBondContact OD1-N 3.43Å
290T98.9Very high98.8Very high10 Ų1011.2 Ų11.26%0.0617%0.071CC..Hα-helixtrans-61.6-44.3-179.9-66.70000111.1M179 S286 Q287 A293 T294 E453M179-T290 HydrophobicContact CE-CG2 3.56Å; S286-T290 WeakPolarHBondContact O-CB 3.27Å; S286-T290 PolarHBondContact O-OG1 3.46Å; Q287-T290 PolarHBondContact O-N 2.69Å; T290-A293 WeakPolarHBondContact O-CB 3.48Å; T290-A293 PolarHBondContact O-N 2.95Å; T290-T294 WeakPolarHBondContact O-CB 3.33Å; T290-T294 PolarHBondContact O-N 2.93Å; T290-T294 PolarHBondContact O-OG1 3.4Å; T290-E453 HydrophobicContact CG2-CG 3.93Å; T290-E453 VanDerWaalsContact CG2-OE1 3.23Å; T290-E453 WeakPolarHBondContact CG2-OE1 3.32Å; T290-E453 PolarHBondContact OG1-OE1 2.84Å
291I98.9Very high98.8Very high1 Ų111.2 Ų11.21%0.0057%0.071CC..Hα-helixtrans-58.8-56.2-178.5-65.6163.3000112.4Y172 Y176 M179 F180 F209 Q287 N289 A293 T294 F295Y172-I291 HydrophobicContact CE2-CG2 4.12Å; Y176-I291 HydrophobicContact CD1-CD1 3.89Å; Y176-I291 HydrophobicContact CD2-CD1 4.29Å; Y176-I291 HydrophobicContact CD2-CG2 3.64Å; Y176-I291 HydrophobicContact CE1-CD1 3.74Å; Y176-I291 HydrophobicContact CE2-CD1 4.16Å; Y176-I291 HydrophobicContact CE2-CG2 4.23Å; Y176-I291 HydrophobicContact CG-CD1 4.15Å; Y176-I291 HydrophobicContact CG-CG2 3.88Å; M179-I291 HydrophobicContact CB-CG1 4.22Å; F180-I291 HydrophobicContact CB-CD1 4.34Å; F209-I291 HydrophobicContact CE1-CD1 4.34Å; Q287-I291 HydrophobicContact CB-CD1 4.16Å; Q287-I291 WeakPolarHBondContact O-CG1 3.49Å; Q287-I291 PolarHBondContact O-N 3.46Å; Q287-I291 VanDerWaalsContact O-N 3.15Å; N289-I291 PolarHBondContact O-N 3.25Å; I291-A293 VanDerWaalsContact C-N 3.32Å; I291-A293 PolarHBondContact O-N 3.5Å; I291-T294 PolarHBondContact O-N 2.99Å; I291-F295 PolarHBondContact O-N 2.95Å
292P98.9Very high98.8Very high3 Ų310.6 Ų10.62%0.0197%0.066CC..Hα-helixtrans-66.9-31176.925.7-34.8000113.3Y172 A288 N289 F295 W296 I488 P490Y172-P292 HydrophobicContact CE2-CB 4.08Å; A288-P292 WeakPolarHBondContact O-CD 3.42Å; A288-P292 WeakPolarHBondContact O-CG 3.46Å; N289-P292 WeakPolarHBondContact O-CD 3.36Å; N289-P292 WeakPolarHBondContact O-CG 3.38Å; P292-F295 PolarHBondContact O-N 3.14Å; P292-W296 PolarHBondContact O-N 3.07Å; P292-I488 HydrophobicContact CB-CB 4.41Å; P292-I488 HydrophobicContact CB-CG2 3.96Å; P292-I488 HydrophobicContact CG-CB 4.03Å; P292-I488 HydrophobicContact CG-CG2 4.12Å; P292-P490 HydrophobicContact CB-CB 4.21Å
293A98.9Very high98.7Very high4 Ų414.5 Ų14.53%0.0338%0.08CC..Hα-helixtrans-60.8-46.3173.300000112.3N289 T290 I291 W296 S297 L354 I454N289-A293 WeakPolarHBondContact O-CB 3.17Å; N289-A293 PolarHBondContact O-N 3.08Å; T290-A293 WeakPolarHBondContact O-CB 3.48Å; T290-A293 PolarHBondContact O-N 2.95Å; I291-A293 VanDerWaalsContact C-N 3.32Å; I291-A293 PolarHBondContact O-N 3.5Å; A293-W296 PolarHBondContact O-N 3.32Å; A293-S297 WeakPolarHBondContact O-CB 3.39Å; A293-S297 PolarHBondContact O-N 2.6Å; A293-S297 PolarHBondContact O-OG 3.42Å; A293-L354 HydrophobicContact CB-CD2 3.59Å; A293-I454 HydrophobicContact CB-CD1 3.69Å
294T98.9Very high98.7Very high0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-62.8-44.5176.4-59.70000111.1C175 M179 T290 I291 S297 L298 F457C175-T294 HydrophobicContact CB-CG2 4.43Å; M179-T294 HydrophobicContact CG-CG2 3.82Å; M179-T294 HydrophobicContact SD-CG2 4.01Å; T290-T294 WeakPolarHBondContact O-CB 3.33Å; T290-T294 PolarHBondContact O-N 2.93Å; T290-T294 PolarHBondContact O-OG1 3.4Å; I291-T294 PolarHBondContact O-N 2.99Å; T294-S297 PolarHBondContact O-N 3.19Å; T294-L298 WeakPolarHBondContact O-CB 3.49Å; T294-L298 PolarHBondContact O-N 3.09Å; T294-F457 HydrophobicContact CG2-CB 4.38Å; T294-F457 HydrophobicContact CG2-CD1 3.23Å; T294-F457 HydrophobicContact CG2-CD2 4.19Å; T294-F457 HydrophobicContact CG2-CE1 3.34Å; T294-F457 HydrophobicContact CG2-CE2 4.29Å; T294-F457 HydrophobicContact CG2-CG 3.68Å; T294-F457 HydrophobicContact CG2-CZ 3.89Å
295F98.9Very high98.6Very high0 Ų020.1 Ų20.10%012%0.119CC..Hα-helixtrans-55.9-53.6175.9164.9-96.8000111.9M171 Y172 C175 I291 P292 S297 L298 F299 P477 P491 I495M171-F295 HydrophobicContact CB-CD2 4.24Å; M171-F295 HydrophobicContact CB-CE2 4.05Å; M171-F295 HydrophobicContact CG-CD2 4Å; M171-F295 HydrophobicContact CG-CE2 4.14Å; M171-F295 HydrophobicContact SD-CD2 4.18Å; M171-F295 HydrophobicContact SD-CE2 4.09Å; Y172-F295 HydrophobicContact CD2-CB 3.68Å; Y172-F295 HydrophobicContact CD2-CD1 4.14Å; Y172-F295 AromaticContact CD2-CD2 3.94Å; Y172-F295 HydrophobicContact CD2-CD2 3.94Å; Y172-F295 AromaticContact CD2-CG 3.63Å; Y172-F295 HydrophobicContact CD2-CG 3.63Å; Y172-F295 HydrophobicContact CE2-CB 4.26Å; Y172-F295 HydrophobicContact CE2-CG 4.5Å; Y172-F295 HydrophobicContact CG-CD2 4.38Å; Y172-F295 HydrophobicContact CG-CG 4.49Å; C175-F295 HydrophobicContact CB-CB 4.4Å; I291-F295 PolarHBondContact O-N 2.95Å; P292-F295 PolarHBondContact O-N 3.14Å; F295-S297 VanDerWaalsContact C-N 3.29Å; F295-S297 PolarHBondContact O-N 2.9Å; F295-L298 PolarHBondContact O-N 3.28Å; F295-F299 HydrophobicContact CE2-CB 4.47Å; F295-F299 HydrophobicContact CZ-CB 4.3Å; F295-F299 HydrophobicContact CZ-CG 4.47Å; F295-F299 VanDerWaalsContact O-CB 3.26Å; F295-F299 WeakPolarHBondContact O-CB 3.26Å; F295-F299 PolarHBondContact O-N 3.42Å; F295-P477 HydrophobicContact CZ-CG 4.32Å; F295-P491 HydrophobicContact CD1-CB 4.48Å; F295-P491 HydrophobicContact CD1-CG 3.88Å; F295-P491 HydrophobicContact CE1-CB 3.63Å; F295-P491 HydrophobicContact CE1-CG 3.41Å; F295-P491 VanDerWaalsContact CE1-CG 3.41Å; F295-P491 HydrophobicContact CE2-CG 4.19Å; F295-P491 HydrophobicContact CG-CG 4.48Å; F295-P491 HydrophobicContact CZ-CB 3.83Å; F295-P491 HydrophobicContact CZ-CG 3.58Å; F295-I495 HydrophobicContact CE2-CD1 4.02Å; F295-I495 HydrophobicContact CE2-CG1 3.83Å; F295-I495 HydrophobicContact CZ-CD1 4.08Å; F295-I495 HydrophobicContact CZ-CG1 4.08Å
296W98.9Very high98.6Very high4 Ų424.1 Ų24.12%0.01513%0.127CC..Hα-helixtrans-63.7-38-177.9-74116.6000112.1P292 A293 F299 Q300 S353 P477 L479 L489 P491P292-W296 PolarHBondContact O-N 3.07Å; A293-W296 PolarHBondContact O-N 3.32Å; W296-F299 AromaticContact CE3-CD1 3.84Å; W296-F299 HydrophobicContact CE3-CD1 3.84Å; W296-F299 AromaticContact CZ3-CD1 3.78Å; W296-F299 HydrophobicContact CZ3-CD1 3.78Å; W296-F299 HydrophobicContact CZ3-CE1 4.03Å; W296-Q300 WeakPolarHBondContact O-CB 3.48Å; W296-Q300 WeakPolarHBondContact O-CG 3.36Å; W296-Q300 PolarHBondContact O-N 3.35Å; W296-S353 PolarHBondContact O-OG 2.72Å; W296-P477 HydrophobicContact CH2-CG 3.87Å; W296-P477 HydrophobicContact CZ3-CG 4.24Å; W296-L479 HydrophobicContact CH2-CD2 3.84Å; W296-L479 HydrophobicContact CZ2-CD2 3.27Å; W296-L489 PolarHBondContact NE1-O 2.94Å; W296-P491 HydrophobicContact CH2-CB 4.12Å; W296-P491 HydrophobicContact CZ2-CB 3.91Å
297S98.9Very high98.6Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-64.4-45.9177.9-53.50000111.6A293 T294 F295 M301 S353A293-S297 WeakPolarHBondContact O-CB 3.39Å; A293-S297 PolarHBondContact O-N 2.6Å; A293-S297 PolarHBondContact O-OG 3.42Å; T294-S297 PolarHBondContact O-N 3.19Å; F295-S297 VanDerWaalsContact C-N 3.29Å; F295-S297 PolarHBondContact O-N 2.9Å; S297-M301 WeakPolarHBondContact O-CB 3.5Å; S297-M301 PolarHBondContact O-N 3.21Å; S297-M301 VanDerWaalsContact O-N 3.09Å; S297-S353 WeakPolarHBondContact CA-OG 3.28Å
298L98.9Very high98.6Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-65.2-48.2176.4-178.664.6000111.4M171 T294 F295 Q300 M301 I302 F457 L458 M461 L467M171-L298 HydrophobicContact CG-CD2 3.8Å; M171-L298 HydrophobicContact CG-CG 4.47Å; M171-L298 HydrophobicContact SD-CB 4.32Å; M171-L298 HydrophobicContact SD-CD2 3.97Å; M171-L298 HydrophobicContact SD-CG 3.98Å; T294-L298 WeakPolarHBondContact O-CB 3.49Å; T294-L298 PolarHBondContact O-N 3.09Å; F295-L298 PolarHBondContact O-N 3.28Å; L298-Q300 PolarHBondContact O-N 3.17Å; L298-M301 HydrophobicContact CD1-CE 3.98Å; L298-M301 PolarHBondContact O-N 2.67Å; L298-I302 HydrophobicContact CD1-CD1 3.67Å; L298-I302 HydrophobicContact CD1-CG1 4.14Å; L298-I302 HydrophobicContact CD2-CD1 4.45Å; L298-I302 HydrophobicContact CG-CD1 3.76Å; L298-I302 HydrophobicContact CG-CG1 4.5Å; L298-I302 WeakPolarHBondContact O-CG1 3.32Å; L298-I302 PolarHBondContact O-N 3.23Å; L298-F457 HydrophobicContact CB-CE1 4.29Å; L298-F457 HydrophobicContact CD1-CE1 4.4Å; L298-F457 HydrophobicContact CD2-CE1 3.96Å; L298-F457 HydrophobicContact CD2-CZ 4.12Å; L298-F457 HydrophobicContact CG-CE1 4.44Å; L298-L458 HydrophobicContact CB-CD2 4.18Å; L298-L458 HydrophobicContact CD1-CD2 4.2Å; L298-M461 HydrophobicContact CD1-CB 4.31Å; L298-M461 HydrophobicContact CD1-CE 4.11Å; L298-M461 HydrophobicContact CD1-CG 4.22Å; L298-M461 HydrophobicContact CD2-CE 3.92Å; L298-L467 HydrophobicContact CD1-CD1 4.41Å
299F98.8Very high98.6Very high0 Ų031.5 Ų31.50%016%0.156CC..Hα-helixtrans-58.5-51.7-178.7171.7-118.7000111.8M171 F295 W296 M301 I302 R303 L469 C476 I495M171-F299 HydrophobicContact CE-CD2 4.45Å; M171-F299 VanDerWaalsContact SD-CA 3.57Å; M171-F299 HydrophobicContact SD-CB 3.71Å; M171-F299 HydrophobicContact SD-CD2 4.44Å; F295-F299 HydrophobicContact CE2-CB 4.47Å; F295-F299 HydrophobicContact CZ-CB 4.3Å; F295-F299 HydrophobicContact CZ-CG 4.47Å; F295-F299 VanDerWaalsContact O-CB 3.26Å; F295-F299 WeakPolarHBondContact O-CB 3.26Å; F295-F299 PolarHBondContact O-N 3.42Å; W296-F299 AromaticContact CE3-CD1 3.84Å; W296-F299 HydrophobicContact CE3-CD1 3.84Å; W296-F299 AromaticContact CZ3-CD1 3.78Å; W296-F299 HydrophobicContact CZ3-CD1 3.78Å; W296-F299 HydrophobicContact CZ3-CE1 4.03Å; F299-M301 VanDerWaalsContact C-N 3.32Å; F299-M301 PolarHBondContact O-N 2.95Å; F299-I302 PolarHBondContact O-N 3.12Å; F299-R303 HydrophobicContact CE2-CB 4.31Å; F299-R303 VanDerWaalsContact CZ-CD 3.42Å; F299-R303 HydrophobicContact CZ-CG 4.45Å; F299-R303 WeakPolarHBondContact O-CB 3.4Å; F299-R303 PolarHBondContact O-N 3.28Å; F299-L469 HydrophobicContact CD2-CD2 4.32Å; F299-L469 HydrophobicContact CE2-CD1 4.15Å; F299-L469 HydrophobicContact CE2-CD2 4.44Å; F299-C476 HydrophobicContact CE1-CB 4.18Å; F299-C476 HydrophobicContact CZ-CB 4.42Å; F299-I495 HydrophobicContact CB-CD1 4.34Å; F299-I495 HydrophobicContact CD2-CD1 2.98Å; F299-I495 HydrophobicContact CD2-CG1 4.47Å; F299-I495 HydrophobicContact CE2-CD1 3.23Å; F299-I495 HydrophobicContact CG-CD1 3.79Å; F299-I495 HydrophobicContact CZ-CD1 4.21Å
300Q98.7Very high98.6Very high6 Ų630.1 Ų30.13%0.02815%0.151CC..Hα-helixtrans-68.7-34.1-177.9-61.5-7016.900111.6W296 L298 N304 F407W296-Q300 WeakPolarHBondContact O-CB 3.48Å; W296-Q300 WeakPolarHBondContact O-CG 3.36Å; W296-Q300 PolarHBondContact O-N 3.35Å; L298-Q300 PolarHBondContact O-N 3.17Å; Q300-N304 PolarHBondContact O-N 2.97Å; Q300-N304 PolarHBondContact O-ND2 3.12Å; Q300-F407 HydrophobicContact CB-CD1 4.15Å; Q300-F407 HydrophobicContact CB-CD2 3.58Å; Q300-F407 HydrophobicContact CB-CE1 3.94Å; Q300-F407 HydrophobicContact CB-CE2 3.39Å; Q300-F407 HydrophobicContact CB-CG 3.98Å; Q300-F407 HydrophobicContact CB-CZ 3.58Å; Q300-F407 HydrophobicContact CG-CD2 3.64Å; Q300-F407 HydrophobicContact CG-CE2 3.88Å; Q300-F407 HydrophobicContact CG-CG 4.15Å
301M98.8Very high98.6Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-61.6-49.1173.6-175.5177.371.700111.5S297 L298 F299 M308 A311 L346 I349 L458 L462S297-M301 WeakPolarHBondContact O-CB 3.5Å; S297-M301 PolarHBondContact O-N 3.21Å; S297-M301 VanDerWaalsContact O-N 3.09Å; L298-M301 HydrophobicContact CD1-CE 3.98Å; L298-M301 PolarHBondContact O-N 2.67Å; F299-M301 VanDerWaalsContact C-N 3.32Å; F299-M301 PolarHBondContact O-N 2.95Å; M301-M308 HydrophobicContact CE-SD 4.35Å; M301-M308 HydrophobicContact CG-SD 4.11Å; M301-M308 WeakPolarHBondContact O-CB 3.4Å; M301-M308 PolarHBondContact O-N 2.86Å; M301-A311 HydrophobicContact CG-CB 4.2Å; M301-A311 HydrophobicContact SD-CB 3.71Å; M301-L346 HydrophobicContact SD-CD2 4.29Å; M301-I349 HydrophobicContact CB-CG2 4.26Å; M301-I349 HydrophobicContact CG-CD1 4.3Å; M301-L458 HydrophobicContact CE-CD2 3.84Å; M301-L458 HydrophobicContact SD-CD2 4.38Å; M301-L462 HydrophobicContact CE-CD1 4.21Å; M301-L462 HydrophobicContact CE-CD2 3.82Å; M301-L462 HydrophobicContact CE-CG 3.92Å; M301-L462 HydrophobicContact SD-CD1 3.94Å; M301-L462 HydrophobicContact SD-CD2 4.22Å; M301-L462 HydrophobicContact SD-CG 4.3Å
302I98.3Very high98.6Very high18 Ų1832.4 Ų32.49%0.09217%0.165CC..Hα-helixtrans-68.7-42-179.5-61.4169000111.4M171 L298 F299 N304 M308 L467 L469 F497M171-I302 HydrophobicContact CE-CD1 3.8Å; L298-I302 HydrophobicContact CD1-CD1 3.67Å; L298-I302 HydrophobicContact CD1-CG1 4.14Å; L298-I302 HydrophobicContact CD2-CD1 4.45Å; L298-I302 HydrophobicContact CG-CD1 3.76Å; L298-I302 HydrophobicContact CG-CG1 4.5Å; L298-I302 WeakPolarHBondContact O-CG1 3.32Å; L298-I302 PolarHBondContact O-N 3.23Å; F299-I302 PolarHBondContact O-N 3.12Å; I302-N304 PolarHBondContact O-N 3.16Å; I302-M308 HydrophobicContact CB-CE 4.21Å; I302-M308 HydrophobicContact CG1-CE 3.69Å; I302-M308 HydrophobicContact CG2-CE 4.34Å; I302-L467 HydrophobicContact CD1-CB 4.1Å; I302-L467 HydrophobicContact CD1-CD1 4.26Å; I302-L467 HydrophobicContact CG1-CB 4.34Å; I302-L467 HydrophobicContact CG1-CD1 4.44Å; I302-L469 HydrophobicContact CG2-CD2 4.42Å; I302-L469 HydrophobicContact CG2-CG 3.88Å; I302-F497 HydrophobicContact CD1-CD2 4.36Å
303R97.3Very high98.6Very high89 Ų8938 Ų3834%0.33619%0.191SC..Hα-helixtrans-63.5-28-176.2-179.5179.5-179.7-132.1-5.5113.4F299 L469 A474F299-R303 HydrophobicContact CE2-CB 4.31Å; F299-R303 VanDerWaalsContact CZ-CD 3.42Å; F299-R303 HydrophobicContact CZ-CG 4.45Å; F299-R303 WeakPolarHBondContact O-CB 3.4Å; F299-R303 PolarHBondContact O-N 3.28Å; R303-L469 HydrophobicContact CB-CD1 4.11Å; R303-A474 PolarHBondContact NE-O 3.5Å
304N97.5Very high98.5Very high44 Ų4438 Ų3824%0.23519%0.19CC..  trans-110.9105.8-175.1-62.9-83000109.8Q300 I302 E306 A307 M308 F407Q300-N304 PolarHBondContact O-N 2.97Å; Q300-N304 PolarHBondContact O-ND2 3.12Å; I302-N304 PolarHBondContact O-N 3.16Å; N304-E306 VanDerWaalsContact C-N 3.26Å; N304-E306 PolarHBondContact O-N 2.68Å; N304-A307 HydrophobicContact CB-CB 3.86Å; N304-A307 WeakPolarHBondContact O-CB 3.34Å; N304-A307 PolarHBondContact O-N 3.09Å; N304-M308 PolarHBondContact O-N 2.89Å; N304-F407 HydrophobicContact CB-CD1 4.4Å; N304-F407 HydrophobicContact CB-CE1 4.35Å; N304-F407 WeakPolarHBondContact ND2-CD1 3.48Å
305P97.3Very high98.5Very high105 Ų10538.2 Ų38.268%0.68219%0.191SC*.Hα-helixtrans-56.5-36-174.8-28.435.8000114.4M308 K309P305-M308 PolarHBondContact O-N 3.35Å; P305-K309 WeakPolarHBondContact O-CB 3.42Å; P305-K309 PolarHBondContact O-N 3.14Å
306E98.4Very high98.5Very high144 Ų14444.3 Ų44.367%0.67322%0.218SC*.Hα-helixtrans-65.1-43.3176.7-65.1175173.700111.8N304 K309 A310 Y409N304-E306 VanDerWaalsContact C-N 3.26Å; N304-E306 PolarHBondContact O-N 2.68Å; E306-K309 PolarHBondContact O-N 3.35Å; E306-A310 WeakPolarHBondContact O-CB 3.4Å; E306-A310 PolarHBondContact O-N 3.04Å; E306-Y409 HydrophobicContact CB-CD1 4.34Å; E306-Y409 HydrophobicContact CB-CE1 3.9Å
307A98.7Very high98.5Very high0 Ų050.4 Ų50.40%024%0.241CC..Hα-helixtrans-64-46176.200000111N304 K309 A310 A311 I349 F407 Y409N304-A307 HydrophobicContact CB-CB 3.86Å; N304-A307 WeakPolarHBondContact O-CB 3.34Å; N304-A307 PolarHBondContact O-N 3.09Å; A307-K309 VanDerWaalsContact C-N 3.35Å; A307-K309 PolarHBondContact O-N 2.98Å; A307-A310 PolarHBondContact O-N 3.39Å; A307-A311 VanDerWaalsContact O-CB 3.24Å; A307-A311 WeakPolarHBondContact O-CB 3.37Å; A307-A311 PolarHBondContact O-N 3.27Å; A307-I349 HydrophobicContact CB-CD1 4.29Å; A307-F407 HydrophobicContact CB-CE1 4.15Å; A307-Y409 HydrophobicContact CB-CD1 4.23Å; A307-Y409 HydrophobicContact CB-CD2 4.45Å; A307-Y409 HydrophobicContact CB-CG 3.82Å
308M98.6Very high98.4Very high36 Ų3651.3 Ų51.318%0.17725%0.246CC..Hα-helixtrans-58.2-46.7176.5-174.861.4117.800111.5M301 I302 N304 P305 T312 L462 L467M301-M308 HydrophobicContact CE-SD 4.35Å; M301-M308 HydrophobicContact CG-SD 4.11Å; M301-M308 WeakPolarHBondContact O-CB 3.4Å; M301-M308 PolarHBondContact O-N 2.86Å; I302-M308 HydrophobicContact CB-CE 4.21Å; I302-M308 HydrophobicContact CG1-CE 3.69Å; I302-M308 HydrophobicContact CG2-CE 4.34Å; N304-M308 PolarHBondContact O-N 2.89Å; P305-M308 PolarHBondContact O-N 3.35Å; M308-T312 VanDerWaalsContact O-CB 3.29Å; M308-T312 WeakPolarHBondContact O-CB 3.46Å; M308-T312 PolarHBondContact O-N 2.8Å; M308-T312 PolarHBondContact O-OG1 3.2Å; M308-L462 HydrophobicContact CE-CD2 4.49Å; M308-L462 HydrophobicContact SD-CD2 3.54Å; M308-L462 VanDerWaalsContact SD-CD2 3.54Å; M308-L467 HydrophobicContact CE-CB 4.01Å; M308-L467 HydrophobicContact CE-CD1 4.21Å
309K98.8Very high98.4Very high150 Ų15051.8 Ų51.865%0.65225%0.249SC*.Hα-helixtrans-62-51179.1-176-177.4176.4-173.60111.2P305 E306 A307 A311 T312 E313P305-K309 WeakPolarHBondContact O-CB 3.42Å; P305-K309 PolarHBondContact O-N 3.14Å; E306-K309 PolarHBondContact O-N 3.35Å; A307-K309 VanDerWaalsContact C-N 3.35Å; A307-K309 PolarHBondContact O-N 2.98Å; K309-A311 PolarHBondContact O-N 3.34Å; K309-T312 PolarHBondContact O-N 2.83Å; K309-E313 PolarHBondContact O-N 3.32Å
310A98.8Very high98.3Very high19 Ų1957.4 Ų57.416%0.15728%0.275CS..Hα-helixtrans-62.2-42.8-178.800000112.1E306 A307 E313 E314 V345 Y409E306-A310 WeakPolarHBondContact O-CB 3.4Å; E306-A310 PolarHBondContact O-N 3.04Å; A307-A310 PolarHBondContact O-N 3.39Å; A310-E313 PolarHBondContact O-N 3.34Å; A310-E314 WeakPolarHBondContact O-CB 3.45Å; A310-E314 PolarHBondContact O-N 3.27Å; A310-V345 HydrophobicContact CB-CG1 3.81Å; A310-Y409 HydrophobicContact CB-CD2 4.36Å; A310-Y409 HydrophobicContact CB-CE2 3.66Å
311A98.9Very high98.2Very high0 Ų063.4 Ų63.40%031%0.307CS..Hα-helixtrans-65-42.4176.400000112.2M301 A307 K309 E313 E314 V315 L346 I349 L462M301-A311 HydrophobicContact CG-CB 4.2Å; M301-A311 HydrophobicContact SD-CB 3.71Å; A307-A311 VanDerWaalsContact O-CB 3.24Å; A307-A311 WeakPolarHBondContact O-CB 3.37Å; A307-A311 PolarHBondContact O-N 3.27Å; K309-A311 PolarHBondContact O-N 3.34Å; A311-E313 VanDerWaalsContact C-N 3.34Å; A311-E313 PolarHBondContact O-N 3.47Å; A311-E314 PolarHBondContact O-N 3.19Å; A311-V315 WeakPolarHBondContact O-CB 3.49Å; A311-V315 WeakPolarHBondContact O-CG2 3.31Å; A311-V315 PolarHBondContact O-N 3.01Å; A311-L346 HydrophobicContact CB-CD2 3.72Å; A311-I349 HydrophobicContact CB-CD1 3.82Å; A311-L462 HydrophobicContact CB-CD1 3.98Å
312T98.8Very high98.1Very high58 Ų5864.4 Ų64.436%0.35632%0.316SS..Hα-helixtrans-60.7-44.4177.5-600000111.1M308 K309 K316M308-T312 VanDerWaalsContact O-CB 3.29Å; M308-T312 WeakPolarHBondContact O-CB 3.46Å; M308-T312 PolarHBondContact O-N 2.8Å; M308-T312 PolarHBondContact O-OG1 3.2Å; K309-T312 PolarHBondContact O-N 2.83Å; T312-K316 VanDerWaalsContact O-CB 3.28Å; T312-K316 WeakPolarHBondContact O-CB 3.33Å; T312-K316 PolarHBondContact O-N 3.49Å
313E98.6Very high98Very high121 Ų12166.5 Ų66.557%0.56534%0.341SS*.Hα-helixtrans-67.2-43.9179.1-173.3169.4-177.400112.2K309 A310 A311 K316 R317K309-E313 PolarHBondContact O-N 3.32Å; A310-E313 PolarHBondContact O-N 3.34Å; A311-E313 VanDerWaalsContact C-N 3.34Å; A311-E313 PolarHBondContact O-N 3.47Å; E313-K316 PolarHBondContact O-N 3.37Å; E313-R317 WeakPolarHBondContact O-CB 3.26Å; E313-R317 PolarHBondContact O-N 2.93Å
314E98.8Very high97.9Very high4 Ų464.7 Ų64.72%0.01934%0.337CS..Hα-helixtrans-59.2-49.3175.5-179175.4-96.700111.5A310 A311 R317 T318 L343 P344 V345 L346A310-E314 WeakPolarHBondContact O-CB 3.45Å; A310-E314 PolarHBondContact O-N 3.27Å; A311-E314 PolarHBondContact O-N 3.19Å; E314-R317 PolarHBondContact O-N 2.94Å; E314-T318 WeakPolarHBondContact O-CB 3.47Å; E314-T318 PolarHBondContact O-N 2.68Å; E314-T318 PolarHBondContact O-OG1 3.33Å; E314-T318 VanDerWaalsContact O-OG1 3.06Å; E314-L343 HydrophobicContact CG-CD2 3.69Å; E314-L343 WeakPolarHBondContact OE2-CA 3.25Å; E314-P344 WeakPolarHBondContact OE1-CD 3.16Å; E314-P344 WeakPolarHBondContact OE1-CG 3.09Å; E314-V345 HydrophobicContact CB-CB 4.36Å; E314-V345 HydrophobicContact CB-CG2 4.48Å; E314-V345 WeakPolarHBondContact OE1-CB 3.46Å; E314-V345 WeakPolarHBondContact OE1-CG2 3.48Å; E314-V345 PolarHBondContact OE1-N 2.83Å; E314-V345 WeakPolarHBondContact OE2-CB 3.39Å; E314-V345 PolarHBondContact OE2-N 3.5Å; E314-L346 PolarHBondContact OE2-N 2.86Å
315V98.6Very high97.6Very high4 Ų471.4 Ų71.42%0.02436%0.364CS..Hα-helixtrans-64.3-43.9-179.5171.30000111.6A311 R317 T318 L319 L346 V459 L462A311-V315 WeakPolarHBondContact O-CB 3.49Å; A311-V315 WeakPolarHBondContact O-CG2 3.31Å; A311-V315 PolarHBondContact O-N 3.01Å; V315-R317 PolarHBondContact O-N 2.71Å; V315-T318 PolarHBondContact O-N 3.33Å; V315-L319 HydrophobicContact CG1-CD1 3.89Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CG 3.49Å; V315-L319 PolarHBondContact O-N 2.83Å; V315-L346 HydrophobicContact CG2-CD1 3.78Å; V315-L346 HydrophobicContact CG2-CG 4.37Å; V315-V459 HydrophobicContact CG1-CB 4.32Å; V315-V459 HydrophobicContact CG1-CG1 3.99Å; V315-V459 HydrophobicContact CG1-CG2 4.2Å; V315-V459 HydrophobicContact CG2-CG2 3.87Å; V315-L462 HydrophobicContact CB-CD1 4.3Å; V315-L462 HydrophobicContact CG2-CD1 3.78Å
316K98.1Very high97.4Very high128 Ų12868.4 Ų68.456%0.55734%0.343SS*.Hα-helixtrans-56.6-51.5176.9178.9179.4172.8-176.50111T312 E313 T318 L319 E320T312-K316 VanDerWaalsContact O-CB 3.28Å; T312-K316 WeakPolarHBondContact O-CB 3.33Å; T312-K316 PolarHBondContact O-N 3.49Å; E313-K316 PolarHBondContact O-N 3.37Å; K316-T318 VanDerWaalsContact C-N 3.34Å; K316-T318 PolarHBondContact O-N 3.31Å; K316-L319 PolarHBondContact O-N 3.29Å; K316-E320 WeakPolarHBondContact CE-OE1 3.4Å; K316-E320 IonicContact NZ-OE1 3.91Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 3.32Å
317R98.2Very high96.9Very high132 Ų13263.5 Ų63.550%0.49833%0.325SS..Hα-helixtrans-60-42.9179.1-178.3177.664.7-160.1-1.2112E313 E314 V315 E320 N321E313-R317 WeakPolarHBondContact O-CB 3.26Å; E313-R317 PolarHBondContact O-N 2.93Å; E314-R317 PolarHBondContact O-N 2.94Å; V315-R317 PolarHBondContact O-N 2.71Å; R317-E320 PolarHBondContact O-N 2.86Å; R317-N321 WeakPolarHBondContact O-CB 3.32Å; R317-N321 PolarHBondContact O-N 2.83Å; R317-N321 PolarHBondContact O-ND2 3.04Å
318T98.3Very high96.2Very high19 Ų1964 Ų6412%0.11733%0.327CS..Hα-helixtrans-63.8-42.5179.6-64.90000111.9E314 V315 K316 A322 L335 L343E314-T318 WeakPolarHBondContact O-CB 3.47Å; E314-T318 PolarHBondContact O-N 2.68Å; E314-T318 PolarHBondContact O-OG1 3.33Å; E314-T318 VanDerWaalsContact O-OG1 3.06Å; V315-T318 PolarHBondContact O-N 3.33Å; K316-T318 VanDerWaalsContact C-N 3.34Å; K316-T318 PolarHBondContact O-N 3.31Å; T318-A322 WeakPolarHBondContact O-CB 3.37Å; T318-A322 PolarHBondContact O-N 3.09Å; T318-L335 HydrophobicContact CG2-CD2 4.28Å; T318-L343 HydrophobicContact CG2-CD2 4.08Å; T318-L343 WeakPolarHBondContact OG1-CD2 3.48Å
319L97.7Very high95.5Very high10 Ų1067.5 Ų67.55%0.05234%0.343CS..Hα-helixtrans-66.9-42.5177.4-67.3173000112.1V315 K316 A322 G323 Q324 V326 I333 L335 S463V315-L319 HydrophobicContact CG1-CD1 3.89Å; V315-L319 HydrophobicContact CG1-CG 4.34Å; V315-L319 WeakPolarHBondContact O-CG 3.49Å; V315-L319 PolarHBondContact O-N 2.83Å; K316-L319 PolarHBondContact O-N 3.29Å; L319-A322 CarbonylContact O-C 3.51Å; L319-A322 PolarHBondContact O-N 3.47Å; L319-G323 PolarHBondContact O-N 2.92Å; L319-G323 VanDerWaalsContact O-N 3.16Å; L319-Q324 HydrophobicContact CB-CB 4.3Å; L319-Q324 HydrophobicContact CD2-CB 3.85Å; L319-Q324 HydrophobicContact CD2-CG 4.32Å; L319-Q324 PolarHBondContact O-N 2.98Å; L319-V326 HydrophobicContact CD1-CG2 3.9Å; L319-I333 HydrophobicContact CD2-CD1 4.37Å; L319-I333 HydrophobicContact CD2-CG2 3.64Å; L319-L335 HydrophobicContact CD2-CD1 4.46Å; L319-L335 HydrophobicContact CD2-CD2 4.26Å; L319-S463 WeakPolarHBondContact CD1-OG 3.45Å
320E97.1Very high94.8Very high119 Ų11961.9 Ų61.956%0.55633%0.328SS*.Hα-helixtrans-59.6-50175.7-74.1172.417500111.4K316 R317 A322 G323K316-E320 WeakPolarHBondContact CE-OE1 3.4Å; K316-E320 IonicContact NZ-OE1 3.91Å; K316-E320 WeakPolarHBondContact O-CG 3.42Å; K316-E320 PolarHBondContact O-N 3.32Å; R317-E320 PolarHBondContact O-N 2.86Å; E320-A322 PolarHBondContact O-N 3.22Å; E320-G323 PolarHBondContact O-N 3.43Å
321N96.9Very high94.3Very high132 Ų13267.6 Ų67.671%0.70636%0.356SS*.Hα-helixtrans-63.6-30.3178-70.5-13.4000112.8R317 G323R317-N321 WeakPolarHBondContact O-CB 3.32Å; R317-N321 PolarHBondContact O-N 2.83Å; R317-N321 PolarHBondContact O-ND2 3.04Å; N321-G323 VanDerWaalsContact C-N 3.27Å
322A96.3Very high94Very high21 Ų2170.6 Ų70.617%0.17438%0.376CS..THydrogen-bonded Turntrans-83.10.1176.700000113.5T318 L319 E320 Q324 L335T318-A322 WeakPolarHBondContact O-CB 3.37Å; T318-A322 PolarHBondContact O-N 3.09Å; L319-A322 CarbonylContact O-C 3.51Å; L319-A322 PolarHBondContact O-N 3.47Å; E320-A322 PolarHBondContact O-N 3.22Å; A322-Q324 HydrophobicContact CB-CG 3.69Å; A322-Q324 PolarHBondContact O-N 3.24Å; A322-Q324 PolarHBondContact O-NE2 3.01Å; A322-L335 HydrophobicContact CB-CD2 4.04Å
323G95.8Very high93.8Very high61 Ų6167.9 Ų67.963%0.62936%0.359SS*.THydrogen-bonded Turntrans6321.1-175.600000113.8L319 E320 N321L319-G323 PolarHBondContact O-N 2.92Å; L319-G323 VanDerWaalsContact O-N 3.16Å; E320-G323 PolarHBondContact O-N 3.43Å; N321-G323 VanDerWaalsContact C-N 3.27Å
324Q95.6Very high93.7Very high52 Ų5266 Ų6624%0.24336%0.358CS..  trans-86.7128.2-176.6-59.8-57.8-61.200110.1L319 A322 I333 C334 L335L319-Q324 HydrophobicContact CB-CB 4.3Å; L319-Q324 HydrophobicContact CD2-CB 3.85Å; L319-Q324 HydrophobicContact CD2-CG 4.32Å; L319-Q324 PolarHBondContact O-N 2.98Å; A322-Q324 HydrophobicContact CB-CG 3.69Å; A322-Q324 PolarHBondContact O-N 3.24Å; A322-Q324 PolarHBondContact O-NE2 3.01Å; Q324-I333 HydrophobicContact CB-CG2 4.4Å; Q324-I333 HydrophobicContact CG-CG2 4.32Å; Q324-C334 VanDerWaalsContact CD-O 3.31Å; Q324-C334 PolarHBondContact OE1-O 3.01Å; Q324-L335 HydrophobicContact CG-CD2 4.42Å
325K92.3Very high93.5Very high185 Ų18566.6 Ų66.680%0.80436%0.361SS*.  trans-104.3126.3173.6-66.8-175.5-179.5-179.30109.6S327K325-S327 PolarHBondContact O-N 3.41Å
326V92.3Very high93.2Very high41 Ų4168.9 Ų68.925%0.24838%0.378CS..  trans-73.5123.4175.5-176.30000108.8L319 I333 Y464L319-V326 HydrophobicContact CD1-CG2 3.9Å; V326-I333 HydrophobicContact CG2-CD1 4.18Å; V326-Y464 HydrophobicContact CG1-CD1 3.79Å; V326-Y464 HydrophobicContact CG1-CE1 3.86Å
327S87.9Confident92.9Very high42 Ų4265 Ų6529%0.29436%0.361SS..  trans-146.7144.3173.6-179.70000109.7R154 K325 E329 G330R154-S327 PolarHBondContact NH2-O 2.97Å; K325-S327 PolarHBondContact O-N 3.41Å; S327-E329 PolarHBondContact OG-N 3.3Å; S327-G330 WeakPolarHBondContact OG-CA 3.37Å; S327-G330 PolarHBondContact OG-N 2.83Å
328L85Confident92.7Very high9 Ų963.9 Ų63.95%0.04737%0.37CS..SBendtrans-82.7-28.5176.8-63.9-179.4000112.8R154 P155 Y464 F501 K502 L504R154-L328 VanDerWaalsContact CD-O 3.28Å; R154-L328 WeakPolarHBondContact CD-O 3.4Å; P155-L328 HydrophobicContact CG-CB 4.32Å; P155-L328 HydrophobicContact CG-CD1 4.27Å; L328-Y464 HydrophobicContact CD2-CD1 4.07Å; L328-Y464 HydrophobicContact CD2-CD2 4.38Å; L328-Y464 HydrophobicContact CD2-CE1 4.49Å; L328-Y464 HydrophobicContact CD2-CG 4.02Å; L328-F501 HydrophobicContact CD1-CB 4.01Å; L328-F501 HydrophobicContact CD1-CD1 3.87Å; L328-F501 HydrophobicContact CD1-CG 4.17Å; L328-F501 HydrophobicContact CD2-CD1 3.75Å; L328-F501 HydrophobicContact CD2-CE1 4.07Å; L328-K502 VanDerWaalsContact CD1-O 3.26Å; L328-K502 WeakPolarHBondContact CD1-O 3.36Å; L328-L504 HydrophobicContact CD1-CD2 3.59Å; L328-L504 HydrophobicContact CD1-CG 4Å
329E83.2Confident92.6Very high110 Ų11065.9 Ų65.951%0.51438%0.378SS..SBendtrans-111.4-20.5-179.7-63.4-176.1176.800113.3S327S327-E329 PolarHBondContact OG-N 3.3Å
330G83Confident92.6Very high32 Ų3265.4 Ų65.433%0.3338%0.375SS..SBendtrans-84.5-159.3-175.300000114.7R154 S327R154-G330 PolarHBondContact NH1-O 3.1Å; R154-G330 PolarHBondContact NH2-O 3.19Å; R154-G330 VanDerWaalsContact NH2-O 3.13Å; S327-G330 WeakPolarHBondContact OG-CA 3.37Å; S327-G330 PolarHBondContact OG-N 2.83Å
331N89.1Confident92.5Very high140 Ų14063.4 Ų63.475%0.74937%0.368SS*.PPolyproline II helixtrans-56.1141.7-177.7-67.4-21.6000112R154R154-N331 PolarHBondContact NH2-O 3.02Å
332P92.6Very high92.6Very high63 Ų6362.9 Ų62.941%0.40937%0.365SS..PPolyproline II helixtrans-67.3151.2174.428.8-33.8000111.1Q150Q150-P332 VanDerWaalsContact OE1-CA 3.31Å
333I95.1Very high92.7Very high1 Ų162 Ų621%0.00536%0.357CS..PPolyproline II helixtrans-70.2128.9168.7-62.1170.4000108.3M146 Q150 L319 Q324 V326 L335 L460 Y464M146-I333 WeakPolarHBondContact CG-O 3.39Å; Q150-I333 PolarHBondContact NE2-O 3.01Å; L319-I333 HydrophobicContact CD2-CD1 4.37Å; L319-I333 HydrophobicContact CD2-CG2 3.64Å; Q324-I333 HydrophobicContact CB-CG2 4.4Å; Q324-I333 HydrophobicContact CG-CG2 4.32Å; V326-I333 HydrophobicContact CG2-CD1 4.18Å; I333-L335 HydrophobicContact CG2-CG 4.12Å; I333-L460 HydrophobicContact CD1-CD2 4.07Å; I333-Y464 HydrophobicContact CD1-CE1 4.22Å
334C95.1Very high92.8Very high82 Ų8260 Ų6055%0.55433%0.333SS*.  trans-119.9119173.9-65.60000109.3Q324Q324-C334 VanDerWaalsContact CD-O 3.31Å; Q324-C334 PolarHBondContact OE1-O 3.01Å
335L95.4Very high93Very high15 Ų1558.4 Ų58.48%0.07933%0.328CS..  trans-119.6129.2174-67.5177.1000109.4M146 T318 L319 A322 Q324 I333 Q339 L340 V459M146-L335 HydrophobicContact CE-CD1 4.29Å; T318-L335 HydrophobicContact CG2-CD2 4.28Å; L319-L335 HydrophobicContact CD2-CD1 4.46Å; L319-L335 HydrophobicContact CD2-CD2 4.26Å; A322-L335 HydrophobicContact CB-CD2 4.04Å; Q324-L335 HydrophobicContact CG-CD2 4.42Å; I333-L335 HydrophobicContact CG2-CG 4.12Å; L335-Q339 HydrophobicContact CD2-CB 4.35Å; L335-L340 HydrophobicContact CB-CD2 4.19Å; L335-L340 HydrophobicContact CB-CG 4.06Å; L335-L340 HydrophobicContact CD1-CD2 3.96Å; L335-V459 HydrophobicContact CD1-CG1 4.27Å
336S92.6Very high93.3Very high52 Ų5249.6 Ų49.636%0.36429%0.289SS..  trans-67.6162.1172.466.10000111.3T338 Q339 L340S336-T338 VanDerWaalsContact C-N 3.27Å; S336-T338 PolarHBondContact O-N 2.87Å; S336-Q339 PolarHBondContact O-N 2.81Å; S336-Q339 VanDerWaalsContact OG-CD 3.31Å; S336-Q339 WeakPolarHBondContact OG-CG 3.4Å; S336-Q339 PolarHBondContact OG-N 3.2Å; S336-Q339 PolarHBondContact OG-OE1 3.3Å; S336-L340 PolarHBondContact O-N 3.02Å
337Q91.5Very high93.6Very high47 Ų4749.5 Ų49.522%0.2229%0.286CS..Hα-helixtrans-58.7-39.1173-74.9-166.46.300112.8L138 N139 Q339 L340 N341L138-Q337 VanDerWaalsContact C-NE2 3.34Å; L138-Q337 PolarHBondContact O-NE2 3.07Å; N139-Q337 VanDerWaalsContact N-NE2 3.17Å; N139-Q337 PolarHBondContact OD1-NE2 2.91Å; N139-Q337 PolarHBondContact OD1-OE1 3.39Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 2.8Å; Q337-L340 PolarHBondContact O-N 2.95Å; Q337-N341 VanDerWaalsContact O-CB 3.28Å; Q337-N341 WeakPolarHBondContact O-CB 3.33Å; Q337-N341 PolarHBondContact O-N 3.47Å; Q337-N341 PolarHBondContact O-ND2 3.01Å; Q337-N341 VanDerWaalsContact O-ND2 3.08Å
338T93.8Very high94.1Very high109 Ų10947.6 Ų47.667%0.66927%0.273SS*.Hα-helixtrans-59.9-43.4178.2-52.50000110.8S336 N341 D342S336-T338 VanDerWaalsContact C-N 3.27Å; S336-T338 PolarHBondContact O-N 2.87Å; T338-N341 PolarHBondContact O-N 2.94Å; T338-D342 WeakPolarHBondContact O-CB 3.27Å; T338-D342 PolarHBondContact O-N 2.69Å
339Q96.4Very high94.8Very high61 Ų6147.1 Ų47.129%0.28527%0.27SS..Hα-helixtrans-67.1-39.1176.5-71.7161.4-40.400112.4L335 S336 Q337 N341 D342 L343L335-Q339 HydrophobicContact CD2-CB 4.35Å; S336-Q339 PolarHBondContact O-N 2.81Å; S336-Q339 VanDerWaalsContact OG-CD 3.31Å; S336-Q339 WeakPolarHBondContact OG-CG 3.4Å; S336-Q339 PolarHBondContact OG-N 3.2Å; S336-Q339 PolarHBondContact OG-OE1 3.3Å; Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 2.8Å; Q339-N341 VanDerWaalsContact C-N 3.34Å; Q339-D342 PolarHBondContact O-N 2.81Å; Q339-L343 WeakPolarHBondContact O-CG 3.41Å
340L97.1Very high95.5Very high0 Ų041.9 Ų41.90%025%0.246CC..Hα-helixtrans-67.9-34.6174.9-71.6170.6000112.3T142 L335 S336 Q337 L343 K455 Q456T142-L340 HydrophobicContact CG2-CD1 3.53Å; L335-L340 HydrophobicContact CB-CD2 4.19Å; L335-L340 HydrophobicContact CB-CG 4.06Å; L335-L340 HydrophobicContact CD1-CD2 3.96Å; S336-L340 PolarHBondContact O-N 3.02Å; Q337-L340 PolarHBondContact O-N 2.95Å; L340-L343 HydrophobicContact CD2-CD1 4.26Å; L340-K455 HydrophobicContact CD2-CB 4.44Å; L340-K455 WeakPolarHBondContact O-CD 3.42Å; L340-K455 WeakPolarHBondContact O-CE 3.44Å; L340-K455 PolarHBondContact O-NZ 2.84Å; L340-Q456 HydrophobicContact CD1-CG 4.12Å; L340-Q456 HydrophobicContact CD2-CG 4.02Å
341N96.6Very high96.3Very high77 Ų7741.6 Ų41.641%0.41224%0.236SC..Hα-helixtrans-70.7-34.4177-73.2-32.7000111.6Q337 T338 Q339 L343 H452Q337-N341 VanDerWaalsContact O-CB 3.28Å; Q337-N341 WeakPolarHBondContact O-CB 3.33Å; Q337-N341 PolarHBondContact O-N 3.47Å; Q337-N341 PolarHBondContact O-ND2 3.01Å; Q337-N341 VanDerWaalsContact O-ND2 3.08Å; T338-N341 PolarHBondContact O-N 2.94Å; Q339-N341 VanDerWaalsContact C-N 3.34Å; N341-L343 PolarHBondContact O-N 2.88Å; N341-L343 VanDerWaalsContact O-N 3.07Å; N341-H452 PolarHBondContact OD1-NE2 3.22Å
342D97.4Very high96.8Very high121 Ų12135 Ų3565%0.64720%0.2SC*.SBendtrans-8649.1178.3-161.336000113.2T338 Q339 P344T338-D342 WeakPolarHBondContact O-CB 3.27Å; T338-D342 PolarHBondContact O-N 2.69Å; Q339-D342 PolarHBondContact O-N 2.81Å; D342-P344 VanDerWaalsContact C-CD 3.43Å
343L98.6Very high97.1Very high1 Ų132 Ų321%0.00518%0.181CC..  trans-125.268.3174.6-68.6168.4000109.4E314 T318 Q339 L340 N341 V345 L346 E347 K455 V459E314-L343 HydrophobicContact CG-CD2 3.69Å; E314-L343 WeakPolarHBondContact OE2-CA 3.25Å; T318-L343 HydrophobicContact CG2-CD2 4.08Å; T318-L343 WeakPolarHBondContact OG1-CD2 3.48Å; Q339-L343 WeakPolarHBondContact O-CG 3.41Å; L340-L343 HydrophobicContact CD2-CD1 4.26Å; N341-L343 PolarHBondContact O-N 2.88Å; N341-L343 VanDerWaalsContact O-N 3.07Å; L343-V345 PolarHBondContact O-N 3.28Å; L343-L346 HydrophobicContact CB-CB 4.25Å; L343-L346 HydrophobicContact CD1-CD1 4.22Å; L343-L346 PolarHBondContact O-N 2.69Å; L343-E347 VanDerWaalsContact O-CB 3.3Å; L343-E347 WeakPolarHBondContact O-CB 3.45Å; L343-E347 PolarHBondContact O-N 3.37Å; L343-K455 HydrophobicContact CB-CD 4.26Å; L343-K455 HydrophobicContact CD1-CD 4.27Å; L343-V459 HydrophobicContact CD1-CG2 4.41Å
344P98.7Very high97.2Very high19 Ų1932 Ų3212%0.12318%0.181CC..Hα-helixtrans-62.9-35.1-173.125.1-35.5000113.5E314 D342 E347 S348 L413E314-P344 WeakPolarHBondContact OE1-CD 3.16Å; E314-P344 WeakPolarHBondContact OE1-CG 3.09Å; D342-P344 VanDerWaalsContact C-CD 3.43Å; P344-E347 PolarHBondContact O-N 3.38Å; P344-S348 WeakPolarHBondContact O-CB 3.3Å; P344-S348 PolarHBondContact O-N 3Å; P344-L413 HydrophobicContact CB-CD2 3.87Å; P344-L413 WeakPolarHBondContact O-CD2 3.46Å
345V98.9Very high97.4Very high20 Ų2028.1 Ų28.112%0.12116%0.155CC..Hα-helixtrans-67.3-50.9177.8177.60000110.3A310 E314 L343 E347 S348 I349 Y409 L413A310-V345 HydrophobicContact CB-CG1 3.81Å; E314-V345 HydrophobicContact CB-CB 4.36Å; E314-V345 HydrophobicContact CB-CG2 4.48Å; E314-V345 WeakPolarHBondContact OE1-CB 3.46Å; E314-V345 WeakPolarHBondContact OE1-CG2 3.48Å; E314-V345 PolarHBondContact OE1-N 2.83Å; E314-V345 WeakPolarHBondContact OE2-CB 3.39Å; E314-V345 PolarHBondContact OE2-N 3.5Å; L343-V345 PolarHBondContact O-N 3.28Å; V345-E347 VanDerWaalsContact C-N 3.26Å; V345-E347 PolarHBondContact O-N 3.22Å; V345-S348 PolarHBondContact O-N 3.29Å; V345-S348 VanDerWaalsContact O-N 3.17Å; V345-I349 HydrophobicContact CG1-CD1 4Å; V345-I349 WeakPolarHBondContact O-CG1 3.35Å; V345-I349 PolarHBondContact O-N 3.09Å; V345-Y409 HydrophobicContact CG1-CD2 4.29Å; V345-Y409 HydrophobicContact CG1-CE2 4.41Å; V345-L413 HydrophobicContact CG2-CD1 4.13Å
346L98.9Very high97.6Very high0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-60.5-38.8175.2-70.7-171.3000111.6M301 A311 E314 V315 L343 S348 I349 I350 K455 L458 V459M301-L346 HydrophobicContact SD-CD2 4.29Å; A311-L346 HydrophobicContact CB-CD2 3.72Å; E314-L346 PolarHBondContact OE2-N 2.86Å; V315-L346 HydrophobicContact CG2-CD1 3.78Å; V315-L346 HydrophobicContact CG2-CG 4.37Å; L343-L346 HydrophobicContact CB-CB 4.25Å; L343-L346 HydrophobicContact CD1-CD1 4.22Å; L343-L346 PolarHBondContact O-N 2.69Å; L346-S348 VanDerWaalsContact C-N 3.35Å; L346-S348 PolarHBondContact O-N 2.82Å; L346-I349 HydrophobicContact CD2-CD1 4.43Å; L346-I349 PolarHBondContact O-N 3.29Å; L346-I350 WeakPolarHBondContact O-CD1 3.39Å; L346-I350 WeakPolarHBondContact O-CG1 3.29Å; L346-I350 PolarHBondContact O-N 3.07Å; L346-K455 HydrophobicContact CB-CG 4.33Å; L346-L458 HydrophobicContact CD1-CB 4.42Å; L346-L458 HydrophobicContact CD2-CB 4.36Å; L346-L458 HydrophobicContact CD2-CD1 4.23Å; L346-V459 HydrophobicContact CD1-CG2 3.99Å
347E98.8Very high97.9Very high38 Ų3826.1 Ų26.118%0.17814%0.14CC..Hα-helixtrans-62.6-41.4175.8-172.5164.6154.300112.4L343 P344 V345 I350 K351 K455L343-E347 VanDerWaalsContact O-CB 3.3Å; L343-E347 WeakPolarHBondContact O-CB 3.45Å; L343-E347 PolarHBondContact O-N 3.37Å; P344-E347 PolarHBondContact O-N 3.38Å; V345-E347 VanDerWaalsContact C-N 3.26Å; V345-E347 PolarHBondContact O-N 3.22Å; E347-I350 PolarHBondContact O-N 2.98Å; E347-K351 HydrophobicContact CG-CD 4.18Å; E347-K351 HydrophobicContact CG-CG 4.45Å; E347-K351 WeakPolarHBondContact O-CB 3.43Å; E347-K351 VanDerWaalsContact O-CG 3.27Å; E347-K351 WeakPolarHBondContact O-CG 3.11Å; E347-K351 PolarHBondContact O-N 3.42Å; E347-K351 WeakPolarHBondContact OE1-CE 3.49Å; E347-K351 IonicContact OE1-NZ 3.62Å; E347-K351 PolarHBondContact OE1-NZ 3.43Å; E347-K455 IonicContact OE2-NZ 3.58Å; E347-K455 PolarHBondContact OE2-NZ 3.22Å; E347-K455 VanDerWaalsContact OE2-NZ 3.17Å
348S98.9Very high98.2Very high2 Ų223.9 Ų23.91%0.01413%0.129CC..Hα-helixtrans-66.8-41.5176.7-173.70000111.9P344 V345 L346 I350 K351 E352 Y409 Y412P344-S348 WeakPolarHBondContact O-CB 3.3Å; P344-S348 PolarHBondContact O-N 3Å; V345-S348 PolarHBondContact O-N 3.29Å; V345-S348 VanDerWaalsContact O-N 3.17Å; L346-S348 VanDerWaalsContact C-N 3.35Å; L346-S348 PolarHBondContact O-N 2.82Å; S348-I350 PolarHBondContact O-N 3.43Å; S348-K351 PolarHBondContact O-N 2.81Å; S348-E352 WeakPolarHBondContact O-CB 3.17Å; S348-E352 PolarHBondContact O-N 3.32Å; S348-Y409 CarbonylContact C-O 3.45Å; S348-Y409 WeakPolarHBondContact CB-O 3.24Å; S348-Y409 PolarHBondContact OG-O 3.46Å; S348-Y412 WeakPolarHBondContact OG-CB 3.37Å; S348-Y412 PolarHBondContact OG-N 3.3Å; S348-Y412 VanDerWaalsContact OG-N 3.15Å
349I98.9Very high98.5Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-58.3-47.4173.5-72.9167.5000111M301 A307 A311 V345 L346 S353 F407M301-I349 HydrophobicContact CB-CG2 4.26Å; M301-I349 HydrophobicContact CG-CD1 4.3Å; A307-I349 HydrophobicContact CB-CD1 4.29Å; A311-I349 HydrophobicContact CB-CD1 3.82Å; V345-I349 HydrophobicContact CG1-CD1 4Å; V345-I349 WeakPolarHBondContact O-CG1 3.35Å; V345-I349 PolarHBondContact O-N 3.09Å; L346-I349 HydrophobicContact CD2-CD1 4.43Å; L346-I349 PolarHBondContact O-N 3.29Å; I349-S353 VanDerWaalsContact O-CB 3.3Å; I349-S353 WeakPolarHBondContact O-CB 3.24Å; I349-S353 PolarHBondContact O-N 3.17Å; I349-S353 PolarHBondContact O-OG 3.41Å; I349-F407 HydrophobicContact CG1-CZ 4.41Å; I349-F407 HydrophobicContact CG2-CZ 4.29Å
350I98.9Very high98.5Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-65-47.3179.1-64.7163.1000109.9L346 E347 S348 E352 S353 L354 I451 I454 K455 L458L346-I350 WeakPolarHBondContact O-CD1 3.39Å; L346-I350 WeakPolarHBondContact O-CG1 3.29Å; L346-I350 PolarHBondContact O-N 3.07Å; E347-I350 PolarHBondContact O-N 2.98Å; S348-I350 PolarHBondContact O-N 3.43Å; I350-E352 PolarHBondContact O-N 3.16Å; I350-S353 PolarHBondContact O-N 2.8Å; I350-L354 HydrophobicContact CG2-CD1 3.93Å; I350-L354 HydrophobicContact CG2-CG 4.27Å; I350-L354 WeakPolarHBondContact O-CB 3.19Å; I350-L354 VanDerWaalsContact O-CG 3.29Å; I350-L354 WeakPolarHBondContact O-CG 3.36Å; I350-L354 PolarHBondContact O-N 3.28Å; I350-I451 HydrophobicContact CG2-CD1 3.67Å; I350-I454 HydrophobicContact CD1-CB 4.09Å; I350-I454 HydrophobicContact CD1-CG2 3.62Å; I350-I454 HydrophobicContact CG1-CG2 3.73Å; I350-I454 HydrophobicContact CG2-CD1 4.35Å; I350-K455 HydrophobicContact CD1-CG 3.66Å; I350-L458 HydrophobicContact CD1-CD1 4.22Å; I350-L458 HydrophobicContact CG1-CD1 4.06Å
351K98.9Very high98.6Very high26 Ų2618.8 Ų18.811%0.11310%0.101CC..Hα-helixtrans-59.2-44.7178.4-76.4178.5179.3165.60112.2E347 S348 L354 R355 Y412 Y434E347-K351 HydrophobicContact CG-CD 4.18Å; E347-K351 HydrophobicContact CG-CG 4.45Å; E347-K351 WeakPolarHBondContact O-CB 3.43Å; E347-K351 VanDerWaalsContact O-CG 3.27Å; E347-K351 WeakPolarHBondContact O-CG 3.11Å; E347-K351 PolarHBondContact O-N 3.42Å; E347-K351 WeakPolarHBondContact OE1-CE 3.49Å; E347-K351 IonicContact OE1-NZ 3.62Å; E347-K351 PolarHBondContact OE1-NZ 3.43Å; S348-K351 PolarHBondContact O-N 2.81Å; K351-L354 PolarHBondContact O-N 2.75Å; K351-R355 WeakPolarHBondContact O-CB 3.43Å; K351-R355 PolarHBondContact O-N 2.99Å; K351-Y412 HydrophobicContact CB-CD1 4.42Å; K351-Y412 HydrophobicContact CB-CD2 3.51Å; K351-Y412 HydrophobicContact CB-CE2 3.71Å; K351-Y412 HydrophobicContact CB-CG 3.89Å; K351-Y412 HydrophobicContact CD-CD1 4Å; K351-Y412 HydrophobicContact CD-CD2 4.42Å; K351-Y412 HydrophobicContact CD-CG 3.91Å; K351-Y434 HydrophobicContact CB-CD2 4.48Å; K351-Y434 HydrophobicContact CB-CE2 3.9Å; K351-Y434 HydrophobicContact CG-CE1 4Å; K351-Y434 HydrophobicContact CG-CE2 4.01Å; K351-Y434 WeakPolarHBondContact O-CE2 3.42Å
352E98.9Very high98.6Very high0 Ų015.6 Ų15.60%08%0.084CC..Hα-helixtrans-67.5-38.4178.9-177.767.5171.300112S348 I350 L354 R355 L356 T406 F407 K408 R411 Y412S348-E352 WeakPolarHBondContact O-CB 3.17Å; S348-E352 PolarHBondContact O-N 3.32Å; I350-E352 PolarHBondContact O-N 3.16Å; E352-L354 PolarHBondContact O-N 3.25Å; E352-R355 PolarHBondContact O-N 3.08Å; E352-R355 IonicContact OE1-CZ 2.93Å; E352-R355 IonicContact OE1-NE 3.69Å; E352-R355 PolarHBondContact OE1-NE 3.34Å; E352-R355 IonicContact OE1-NH2 2.86Å; E352-R355 PolarHBondContact OE1-NH2 2.89Å; E352-R355 IonicContact OE2-CZ 2.82Å; E352-R355 IonicContact OE2-NE 2.69Å; E352-R355 PolarHBondContact OE2-NE 3.44Å; E352-R355 IonicContact OE2-NH2 3.87Å; E352-L356 PolarHBondContact O-N 3.33Å; E352-T406 VanDerWaalsContact OE1-O 3.11Å; E352-F407 HydrophobicContact CB-CD2 4.07Å; E352-F407 HydrophobicContact CB-CE2 3.77Å; E352-F407 HydrophobicContact CG-CD2 3.36Å; E352-F407 HydrophobicContact CG-CE2 3.59Å; E352-F407 HydrophobicContact CG-CG 4.06Å; E352-F407 HydrophobicContact CG-CZ 4.46Å; E352-K408 WeakPolarHBondContact CG-O 3.48Å; E352-K408 PolarHBondContact OE1-N 3.03Å; E352-K408 VanDerWaalsContact OE1-N 3.1Å; E352-R411 IonicContact OE1-CZ 3.34Å; E352-R411 IonicContact OE1-NE 2.84Å; E352-R411 PolarHBondContact OE1-NE 3.24Å; E352-R411 IonicContact OE1-NH2 3.49Å; E352-R411 WeakPolarHBondContact OE2-CD 3.28Å; E352-R411 IonicContact OE2-NE 3.33Å; E352-R411 PolarHBondContact OE2-NE 3.34Å; E352-Y412 HydrophobicContact CB-CD2 4.47Å; E352-Y412 HydrophobicContact CB-CE2 4.43Å
353S98.9Very high98.6Very high1 Ų110.5 Ų10.51%0.0076%0.057CC..Hα-helixtrans-61-45.7174.4-59.90000111.2W296 S297 I349 I350 L356 S357W296-S353 PolarHBondContact O-OG 2.72Å; S297-S353 WeakPolarHBondContact CA-OG 3.28Å; I349-S353 VanDerWaalsContact O-CB 3.3Å; I349-S353 WeakPolarHBondContact O-CB 3.24Å; I349-S353 PolarHBondContact O-N 3.17Å; I349-S353 PolarHBondContact O-OG 3.41Å; I350-S353 PolarHBondContact O-N 2.8Å; S353-L356 PolarHBondContact O-N 3.15Å; S353-S357 PolarHBondContact O-N 2.65Å; S353-S357 VanDerWaalsContact O-N 3.12Å; S353-S357 PolarHBondContact O-OG 3.5Å
354L98.9Very high98.6Very high2 Ų210.6 Ų10.61%0.016%0.057CC..Hα-helixtrans-72.1-31.7178.4-63.5-177.2000113.1A293 I350 K351 E352 L356 S357 S358 Y434 P436 F437 I488A293-L354 HydrophobicContact CB-CD2 3.59Å; I350-L354 HydrophobicContact CG2-CD1 3.93Å; I350-L354 HydrophobicContact CG2-CG 4.27Å; I350-L354 WeakPolarHBondContact O-CB 3.19Å; I350-L354 VanDerWaalsContact O-CG 3.29Å; I350-L354 WeakPolarHBondContact O-CG 3.36Å; I350-L354 PolarHBondContact O-N 3.28Å; K351-L354 PolarHBondContact O-N 2.75Å; E352-L354 PolarHBondContact O-N 3.25Å; L354-L356 PolarHBondContact O-N 3.31Å; L354-S357 PolarHBondContact O-N 3.47Å; L354-S358 WeakPolarHBondContact O-CB 3.22Å; L354-S358 PolarHBondContact O-N 2.93Å; L354-Y434 HydrophobicContact CB-CE2 4.25Å; L354-Y434 VanDerWaalsContact CD1-OH 3.28Å; L354-Y434 WeakPolarHBondContact CD1-OH 3.41Å; L354-P436 HydrophobicContact CB-CB 4.04Å; L354-P436 HydrophobicContact CB-CG 3.94Å; L354-P436 HydrophobicContact CD1-CB 4.43Å; L354-P436 HydrophobicContact CD1-CG 4.14Å; L354-F437 HydrophobicContact CD1-CE2 4.06Å; L354-F437 HydrophobicContact CD1-CZ 4Å; L354-I488 HydrophobicContact CD2-CD1 3.69Å; L354-I488 HydrophobicContact CD2-CG1 3.95Å; L354-I488 HydrophobicContact CD2-CG2 4.25Å
355R98.9Very high98.5Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-58.3-41.7172.4-174-168.566.4751.6110.5K351 E352 H395 P404 T406 Y412K351-R355 WeakPolarHBondContact O-CB 3.43Å; K351-R355 PolarHBondContact O-N 2.99Å; E352-R355 PolarHBondContact O-N 3.08Å; E352-R355 IonicContact OE1-CZ 2.93Å; E352-R355 IonicContact OE1-NE 3.69Å; E352-R355 PolarHBondContact OE1-NE 3.34Å; E352-R355 IonicContact OE1-NH2 2.86Å; E352-R355 PolarHBondContact OE1-NH2 2.89Å; E352-R355 IonicContact OE2-CZ 2.82Å; E352-R355 IonicContact OE2-NE 2.69Å; E352-R355 PolarHBondContact OE2-NE 3.44Å; E352-R355 IonicContact OE2-NH2 3.87Å; R355-H395 HydrophobicContact CG-CB 3.69Å; R355-H395 PolarHBondContact NH1-O 3.33Å; R355-H395 WeakPolarHBondContact O-CB 3.34Å; R355-P404 VanDerWaalsContact CZ-O 3.24Å; R355-P404 PolarHBondContact NH1-O 3.11Å; R355-P404 PolarHBondContact NH2-O 2.99Å; R355-T406 PolarHBondContact NH2-O 2.9Å; R355-Y412 WeakPolarHBondContact CD-OH 3.28Å
356L98.9Very high98.5Very high24 Ų249 Ų913%0.1265%0.047CC..Hα-helixtrans-76.4-35.2-179.2-71.6168.2000113.4E352 S353 L354 L396 P404 F407 L479E352-L356 PolarHBondContact O-N 3.33Å; S353-L356 PolarHBondContact O-N 3.15Å; L354-L356 PolarHBondContact O-N 3.31Å; L356-L396 HydrophobicContact CD2-CD2 4.09Å; L356-P404 WeakPolarHBondContact CD2-O 3.27Å; L356-F407 HydrophobicContact CD1-CB 3.83Å; L356-F407 HydrophobicContact CD1-CD2 4.04Å; L356-F407 HydrophobicContact CD1-CG 4.46Å; L356-L479 WeakPolarHBondContact O-CD1 3.27Å
357S98.8Very high98.5Very high1 Ų113.4 Ų13.41%0.0077%0.066CC..Hα-helixtrans-102.6-12.4-171.661.40000115.3S353 L354 I488 L489S353-S357 PolarHBondContact O-N 2.65Å; S353-S357 VanDerWaalsContact O-N 3.12Å; S353-S357 PolarHBondContact O-OG 3.5Å; L354-S357 PolarHBondContact O-N 3.47Å; S357-I488 WeakPolarHBondContact OG-CG2 3.17Å; S357-L489 PolarHBondContact O-N 2.99Å
358S98.8Very high98.4Very high0 Ų016.5 Ų16.50%08%0.081CC..BIsolated β-bridgetrans-71.6131.3179.7168.80000113L354 Q392 P436L354-S358 WeakPolarHBondContact O-CB 3.22Å; L354-S358 PolarHBondContact O-N 2.93Å; S358-Q392 WeakPolarHBondContact O-CB 3.46Å; S358-Q392 VanDerWaalsContact O-CG 3.31Å; S358-Q392 WeakPolarHBondContact O-CG 3.39Å; S358-Q392 PolarHBondContact O-NE2 2.79Å; S358-P436 WeakPolarHBondContact OG-CA 3.04Å
359A98.3Very high98.4Very high0 Ų021.7 Ų21.70%011%0.108CC..  trans-136.234.1177.100000111.9Y390 G485 G487 L489A359-Y390 HydrophobicContact CB-CE2 4.35Å; A359-Y390 WeakPolarHBondContact CB-OH 3.41Å; A359-Y390 WeakPolarHBondContact O-CE2 3.26Å; A359-G485 WeakPolarHBondContact O-CA 3.44Å; A359-G485 PolarHBondContact O-N 3.37Å; A359-G487 CarbonylContact C-O 3.58Å; A359-G487 WeakPolarHBondContact CA-O 3.38Å; A359-G487 PolarHBondContact N-O 3.44Å; A359-L489 HydrophobicContact CB-CD1 3.64Å; A359-L489 HydrophobicContact CB-CD2 3.61Å; A359-L489 HydrophobicContact CB-CG 3.49Å; A359-L489 VanDerWaalsContact CB-CG 3.49Å
360S97.9Very high98.4Very high20 Ų2022.7 Ų22.714%0.1411%0.113CC..BIsolated β-bridgetrans-62.1141.8-179.4-58.10000112.9P391 P436 G487S360-P391 WeakPolarHBondContact O-CD 3.48Å; S360-P436 PolarHBondContact OG-O 3.26Å; S360-G487 WeakPolarHBondContact OG-CA 3.32Å
361L97.8Very high98.4Very high42 Ų4225.4 Ų25.422%0.2213%0.129CC..  trans-96.5114163.1-86.5168.8000109.4F48 F78 I363 A388 Y390 G485F48-L361 HydrophobicContact CZ-CD1 4.33Å; F78-L361 HydrophobicContact CE1-CD2 3.86Å; F78-L361 HydrophobicContact CZ-CD2 4.5Å; L361-I363 HydrophobicContact CB-CD1 4.03Å; L361-I363 HydrophobicContact CB-CG1 4.26Å; L361-A388 HydrophobicContact CD2-CB 4.3Å; L361-Y390 HydrophobicContact CD2-CD2 3.86Å; L361-Y390 HydrophobicContact CG-CD2 4.07Å; L361-G485 PolarHBondContact N-O 3.46Å
362N98.2Very high98.4Very high10 Ų1024.6 Ų24.65%0.05313%0.126CC..EExtended strand (participates in β ladder)trans-89.8111.1173.8-168.5-83.8000109.2A388 L389 T442N362-A388 CarbonylContact O-C 3.41Å; N362-A388 VanDerWaalsContact O-CA 3.28Å; N362-A388 WeakPolarHBondContact O-CA 3.49Å; N362-L389 HydrophobicContact CB-CB 4.07Å; N362-L389 HydrophobicContact CB-CG 4.44Å; N362-L389 PolarHBondContact N-O 3.2Å; N362-L389 PolarHBondContact O-N 2.81Å; N362-T442 WeakPolarHBondContact ND2-CB 3.48Å; N362-T442 PolarHBondContact ND2-OG1 3.41Å; N362-T442 VanDerWaalsContact ND2-OG1 3.09Å; N362-T442 PolarHBondContact OD1-OG1 3.06Å
363I97.3Very high98.3Very high15 Ų1530.2 Ų30.28%0.07715%0.152CC..EExtended strand (participates in β ladder)trans-116138.9-167.5-75.9169.6000112.3F100 L361 I386 A388F100-I363 HydrophobicContact CB-CG2 3.95Å; F100-I363 HydrophobicContact CD1-CB 4.44Å; F100-I363 HydrophobicContact CD1-CD1 4.02Å; F100-I363 HydrophobicContact CD1-CG2 3.84Å; F100-I363 HydrophobicContact CE1-CD1 3.64Å; F100-I363 HydrophobicContact CG-CG2 3.84Å; F100-I363 HydrophobicContact CZ-CD1 4.03Å; L361-I363 HydrophobicContact CB-CD1 4.03Å; L361-I363 HydrophobicContact CB-CG1 4.26Å; I363-I386 HydrophobicContact CB-CG2 4.41Å; I363-I386 HydrophobicContact CD1-CG2 4.49Å; I363-I386 HydrophobicContact CG1-CG2 4.06Å; I363-I386 HydrophobicContact CG2-CD1 4.32Å; I363-I386 HydrophobicContact CG2-CG2 3.75Å; I363-A388 HydrophobicContact CG1-CB 4.31Å
364R97.2Very high98.3Very high2 Ų230.8 Ų30.81%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-128.4154163-55.4-70.2179.889.5-2109.2V88 L89 C90 F95 D96 W97 I386 I387 T442V88-R364 PolarHBondContact O-NH1 3Å; L89-R364 PolarHBondContact O-NH2 3.21Å; L89-R364 VanDerWaalsContact O-NH2 3.11Å; C90-R364 PolarHBondContact O-NH1 2.69Å; F95-R364 HydrophobicContact CB-CB 4.39Å; F95-R364 HydrophobicContact CB-CG 4.47Å; F95-R364 HydrophobicContact CD1-CB 4.49Å; D96-R364 CarbonylContact O-C 3.57Å; D96-R364 WeakPolarHBondContact O-CA 3.38Å; W97-R364 VanDerWaalsContact CB-CD 3.43Å; R364-I386 CarbonylContact O-C 3.54Å; R364-I386 WeakPolarHBondContact O-CA 3.26Å; R364-I387 HydrophobicContact CB-CB 4.44Å; R364-I387 PolarHBondContact N-O 3.28Å; R364-I387 PolarHBondContact O-N 2.81Å; R364-T442 VanDerWaalsContact NE-CG2 3.31Å; R364-T442 PolarHBondContact NH2-OG1 2.7Å
365T98.3Very high98.1Very high6 Ų635.6 Ų35.64%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-110135.4170.3-50.60000109.5D96 K99 K367 D385 I386D96-T365 PolarHBondContact N-O 3.34Å; D96-T365 PolarHBondContact O-N 3.4Å; K99-T365 HydrophobicContact CD-CG2 4.42Å; T365-K367 PolarHBondContact O-N 3.15Å; T365-D385 WeakPolarHBondContact CA-O 3.33Å; T365-I386 HydrophobicContact CG2-CD1 4.19Å; T365-I386 WeakPolarHBondContact OG1-CD1 3.26Å
366A98.4Very high97.5Very high0 Ų038.8 Ų38.80%019%0.194CC..EExtended strand (participates in β ladder)trans-70124.5172.500000110.2E368 F370 I381 R382 D384 D385A366-E368 VanDerWaalsContact C-N 3.34Å; A366-F370 HydrophobicContact CB-CD1 4.35Å; A366-F370 HydrophobicContact CB-CE1 3.89Å; A366-I381 HydrophobicContact CB-CG2 3.79Å; A366-R382 VanDerWaalsContact CB-O 3.31Å; A366-R382 WeakPolarHBondContact CB-O 3.21Å; A366-D384 PolarHBondContact O-N 2.72Å; A366-D385 PolarHBondContact N-O 2.92Å
367K98Very high97.3Very high92 Ų9239 Ų3940%0.420%0.202SC..SBendtrans-73.2-28.9180-71.2-178.5-173.8159.50113.5K93 Y94 F95 D96 T365 K383K93-K367 WeakPolarHBondContact O-CD 3.46Å; K93-K367 PolarHBondContact O-NZ 3.42Å; Y94-K367 PolarHBondContact O-N 3.41Å; F95-K367 WeakPolarHBondContact O-CE 3.34Å; F95-K367 PolarHBondContact O-NZ 2.95Å; D96-K367 HydrophobicContact CB-CG 3.95Å; T365-K367 PolarHBondContact O-N 3.15Å; K367-K383 WeakPolarHBondContact O-CE 3.26Å; K367-K383 WeakPolarHBondContact O-CG 3.3Å
368E97.9Very high97.3Very high104 Ų10442.1 Ų42.149%0.48622%0.224SC..SBendtrans-159.8167-173.647.8-166134.500108.2Y94 A366 F370Y94-E368 HydrophobicContact CD1-CG 3.62Å; Y94-E368 HydrophobicContact CE1-CG 3.96Å; A366-E368 VanDerWaalsContact C-N 3.34Å; E368-F370 WeakPolarHBondContact O-CD1 3.48Å; E368-F370 PolarHBondContact O-N 3.35Å
369D98.5Very high97.3Very high111 Ų11144 Ų4459%0.59423%0.232SC*.  trans-64.5130.7176.7-69.610000109.5I381 R382 K383D369-I381 WeakPolarHBondContact CA-O 3.1Å; D369-R382 WeakPolarHBondContact OD1-CA 3.28Å; D369-K383 WeakPolarHBondContact OD1-CB 3.36Å; D369-K383 PolarHBondContact OD1-N 2.85Å
370F98.6Very high97.3Very high21 Ų2146.8 Ų46.89%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-156.7166.7178.880.2-72.2000111.9Y94 F95 A366 E368 L372 I381 I387Y94-F370 HydrophobicContact CD1-CB 4.03Å; Y94-F370 HydrophobicContact CD1-CG 4.32Å; Y94-F370 HydrophobicContact CD2-CB 3.82Å; Y94-F370 AromaticContact CD2-CD2 3.51Å; Y94-F370 HydrophobicContact CD2-CD2 3.51Å; Y94-F370 HydrophobicContact CD2-CE2 4.29Å; Y94-F370 AromaticContact CD2-CG 3.7Å; Y94-F370 HydrophobicContact CD2-CG 3.7Å; Y94-F370 HydrophobicContact CE1-CB 4.17Å; Y94-F370 HydrophobicContact CE2-CB 3.95Å; Y94-F370 HydrophobicContact CE2-CD2 4.16Å; Y94-F370 HydrophobicContact CE2-CG 4.31Å; Y94-F370 HydrophobicContact CG-CB 3.85Å; Y94-F370 HydrophobicContact CG-CD1 4.19Å; Y94-F370 AromaticContact CG-CD2 3.93Å; Y94-F370 HydrophobicContact CG-CD2 3.93Å; Y94-F370 AromaticContact CG-CG 3.7Å; Y94-F370 HydrophobicContact CG-CG 3.7Å; F95-F370 HydrophobicContact CD1-CZ 4.4Å; F95-F370 HydrophobicContact CE1-CE1 4.46Å; F95-F370 HydrophobicContact CE1-CE2 4.13Å; F95-F370 AromaticContact CE1-CZ 3.63Å; F95-F370 HydrophobicContact CE1-CZ 3.63Å; F95-F370 HydrophobicContact CZ-CZ 4.45Å; A366-F370 HydrophobicContact CB-CD1 4.35Å; A366-F370 HydrophobicContact CB-CE1 3.89Å; E368-F370 WeakPolarHBondContact O-CD1 3.48Å; E368-F370 PolarHBondContact O-N 3.35Å; F370-L372 HydrophobicContact CE2-CB 3.79Å; F370-L372 HydrophobicContact CE2-CD1 4.04Å; F370-L372 HydrophobicContact CZ-CB 4.06Å; F370-L372 HydrophobicContact CZ-CD1 4.34Å; F370-I381 HydrophobicContact CD1-CB 4.09Å; F370-I381 HydrophobicContact CE1-CB 3.62Å; F370-I381 HydrophobicContact CE1-CG1 4.07Å; F370-I381 HydrophobicContact CE1-CG2 3.84Å; F370-I381 HydrophobicContact CZ-CB 4.1Å; F370-I381 HydrophobicContact CZ-CG1 4.01Å; F370-I381 HydrophobicContact CZ-CG2 4.48Å; F370-I381 PolarHBondContact N-O 3.45Å; F370-I381 PolarHBondContact O-N 3.42Å; F370-I387 HydrophobicContact CE1-CD1 4.09Å; F370-I387 HydrophobicContact CZ-CD1 3.77Å
371T98.6Very high97.3Very high57 Ų5746 Ų4635%0.3524%0.241SC..EExtended strand (participates in β ladder)trans-98.1122.4173.2-51.80000110.5Y379 N380T371-Y379 CarbonylContact C-O 3.55Å; T371-Y379 WeakPolarHBondContact CA-O 3.43Å; T371-N380 PolarHBondContact OG1-OD1 2.84Å
372L98.4Very high97.4Very high8 Ų846.7 Ų46.74%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-91.3116.9174.8-178.463.5000110I79 F95 F370 L374 S378 Y379 I381 I387I79-L372 HydrophobicContact CD1-CD2 4.32Å; I79-L372 HydrophobicContact CG1-CD2 4.44Å; F95-L372 HydrophobicContact CE1-CD1 4.41Å; F95-L372 HydrophobicContact CZ-CD1 3.89Å; F370-L372 HydrophobicContact CE2-CB 3.79Å; F370-L372 HydrophobicContact CE2-CD1 4.04Å; F370-L372 HydrophobicContact CZ-CB 4.06Å; F370-L372 HydrophobicContact CZ-CD1 4.34Å; L372-L374 HydrophobicContact CD1-CD2 4.16Å; L372-L374 HydrophobicContact CD2-CD1 4.1Å; L372-L374 HydrophobicContact CD2-CD2 3.96Å; L372-L374 HydrophobicContact CD2-CG 4.19Å; L372-L374 HydrophobicContact CG-CD1 4.39Å; L372-L374 HydrophobicContact CG-CD2 3.79Å; L372-L374 HydrophobicContact CG-CG 3.97Å; L372-S378 CarbonylContact O-C 3.6Å; L372-S378 WeakPolarHBondContact O-CA 3.36Å; L372-Y379 PolarHBondContact N-O 3.3Å; L372-Y379 PolarHBondContact O-N 3.33Å; L372-I381 HydrophobicContact CB-CG1 3.87Å; L372-I381 HydrophobicContact CD2-CG1 4.48Å; L372-I387 HydrophobicContact CD2-CG2 4.44Å
373H98.1Very high97.4Very high118 Ų11851.8 Ų51.855%0.54626%0.262SS..EExtended strand (participates in β ladder)trans-93.8117.6177.2-55.1-70.2000110.7S378H373-S378 PolarHBondContact ND1-OG 2.62Å
374L97.9Very high97.4Very high14 Ų1453.9 Ų53.97%0.07327%0.274CS..EExtended strand (participates in β ladder)trans-120.2173.9-179-57.3178.6000110.2V66 I79 K87 V88 L372 D376 G377 Y379V66-L374 HydrophobicContact CG1-CD1 4.44Å; V66-L374 HydrophobicContact CG2-CD1 3.65Å; I79-L374 HydrophobicContact CG1-CD1 3.69Å; I79-L374 HydrophobicContact CG2-CD1 4.19Å; K87-L374 HydrophobicContact CB-CD2 3.81Å; K87-L374 HydrophobicContact CG-CD2 4.31Å; V88-L374 HydrophobicContact CG2-CD2 4.31Å; L372-L374 HydrophobicContact CD1-CD2 4.16Å; L372-L374 HydrophobicContact CD2-CD1 4.1Å; L372-L374 HydrophobicContact CD2-CD2 3.96Å; L372-L374 HydrophobicContact CD2-CG 4.19Å; L372-L374 HydrophobicContact CG-CD1 4.39Å; L372-L374 HydrophobicContact CG-CD2 3.79Å; L372-L374 HydrophobicContact CG-CG 3.97Å; L374-D376 VanDerWaalsContact C-N 3.27Å; L374-D376 PolarHBondContact O-N 2.94Å; L374-G377 WeakPolarHBondContact CA-O 3.36Å; L374-G377 PolarHBondContact N-O 2.98Å; L374-G377 PolarHBondContact O-N 3.48Å; L374-Y379 HydrophobicContact CB-CE2 4.5Å; L374-Y379 HydrophobicContact CD1-CD2 3.91Å; L374-Y379 HydrophobicContact CD1-CE2 4.07Å; L374-Y379 HydrophobicContact CG-CD2 4.38Å
375E94.3Very high97.4Very high103 Ų10354.3 Ų54.348%0.48128%0.276SS..THydrogen-bonded Turntrans-64.9-34.9177.2-60.4-55.413500111.6L83 S84 H86 K87 G377L83-E375 HydrophobicContact CB-CG 4.21Å; L83-E375 WeakPolarHBondContact O-CG 3.5Å; S84-E375 WeakPolarHBondContact OG-CB 3.45Å; S84-E375 PolarHBondContact OG-N 2.98Å; S84-E375 VanDerWaalsContact OG-N 3.08Å; H86-E375 IonicContact NE2-OE1 3.46Å; H86-E375 PolarHBondContact NE2-OE1 3.44Å; K87-E375 WeakPolarHBondContact CE-OE1 3.31Å; K87-E375 IonicContact NZ-OE1 3.5Å; E375-G377 VanDerWaalsContact C-N 3.34Å; E375-G377 PolarHBondContact O-N 2.69Å
376D86.4Confident97.4Very high66 Ų6654.2 Ų54.235%0.35328%0.275SS..THydrogen-bonded Turntrans-88.53.1-177.8-49-51000113.8H65 N81 L374 Y379H65-D376 VanDerWaalsContact CB-OD2 3.29Å; H65-D376 WeakPolarHBondContact CB-OD2 3.38Å; H65-D376 IonicContact CD2-OD1 3.27Å; H65-D376 IonicContact CD2-OD2 3.7Å; H65-D376 IonicContact CG-OD2 2.76Å; N81-D376 WeakPolarHBondContact CB-OD2 3.28Å; N81-D376 PolarHBondContact ND2-OD1 2.76Å; N81-D376 PolarHBondContact ND2-OD2 2.87Å; L374-D376 VanDerWaalsContact C-N 3.27Å; L374-D376 PolarHBondContact O-N 2.94Å; D376-Y379 PolarHBondContact O-OH 2.91Å
377G96.1Very high97.4Very high28 Ų2854.2 Ų54.229%0.28928%0.275SS..EExtended strand (participates in β ladder)trans138.9-172.5179.400000115.2L374 E375L374-G377 WeakPolarHBondContact CA-O 3.36Å; L374-G377 PolarHBondContact N-O 2.98Å; L374-G377 PolarHBondContact O-N 3.48Å; E375-G377 VanDerWaalsContact C-N 3.34Å; E375-G377 PolarHBondContact O-N 2.69Å
378S98.1Very high97.5Very high67 Ų6749.8 Ų49.847%0.46926%0.256SS..EExtended strand (participates in β ladder)trans-114.5132.4-179.3-60.30000111L372 H373L372-S378 CarbonylContact O-C 3.6Å; L372-S378 WeakPolarHBondContact O-CA 3.36Å; H373-S378 PolarHBondContact ND1-OG 2.62Å
379Y98.6Very high97.5Very high39 Ų3944.9 Ų44.915%0.15323%0.233CC..EExtended strand (participates in β ladder)trans-130.2129.3-171.1-59.3-88000111.5G30 P32 V66 T371 L372 L374 D376G30-Y379 CarbonylContact O-C 3.48Å; G30-Y379 WeakPolarHBondContact O-CA 3.35Å; P32-Y379 HydrophobicContact CB-CD1 4.16Å; P32-Y379 HydrophobicContact CG-CD1 3.73Å; P32-Y379 HydrophobicContact CG-CG 4.12Å; V66-Y379 HydrophobicContact CB-CD1 4.43Å; V66-Y379 HydrophobicContact CB-CE1 3.94Å; V66-Y379 HydrophobicContact CB-CE2 4.06Å; V66-Y379 HydrophobicContact CG1-CD1 4.07Å; V66-Y379 HydrophobicContact CG1-CD2 4.17Å; V66-Y379 HydrophobicContact CG1-CE1 4.1Å; V66-Y379 HydrophobicContact CG1-CE2 4.24Å; V66-Y379 HydrophobicContact CG1-CG 4.09Å; V66-Y379 HydrophobicContact CG2-CD2 4.32Å; V66-Y379 HydrophobicContact CG2-CE1 4.46Å; V66-Y379 HydrophobicContact CG2-CE2 3.71Å; T371-Y379 CarbonylContact C-O 3.55Å; T371-Y379 WeakPolarHBondContact CA-O 3.43Å; L372-Y379 PolarHBondContact N-O 3.3Å; L372-Y379 PolarHBondContact O-N 3.33Å; L374-Y379 HydrophobicContact CB-CE2 4.5Å; L374-Y379 HydrophobicContact CD1-CD2 3.91Å; L374-Y379 HydrophobicContact CD1-CE2 4.07Å; L374-Y379 HydrophobicContact CG-CD2 4.38Å; D376-Y379 PolarHBondContact O-OH 2.91Å
380N98.6Very high97.5Very high59 Ų5939.6 Ų39.632%0.31621%0.205SC..EExtended strand (participates in β ladder)trans-76.1128.8173.5-67.8-25.6000110T29 G30 E31 T371T29-N380 PolarHBondContact O-ND2 3.43Å; G30-N380 PolarHBondContact O-N 3.28Å; E31-N380 HydrophobicContact CG-CB 4.2Å; T371-N380 PolarHBondContact OG1-OD1 2.84Å
381I98.6Very high97.5Very high3 Ų338.7 Ų38.72%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-119.8130.7-179.4-51.9-60000107.6H77 A366 D369 F370 L372 D385 I387H77-I381 HydrophobicContact CB-CD1 4.36Å; A366-I381 HydrophobicContact CB-CG2 3.79Å; D369-I381 WeakPolarHBondContact CA-O 3.1Å; F370-I381 HydrophobicContact CD1-CB 4.09Å; F370-I381 HydrophobicContact CE1-CB 3.62Å; F370-I381 HydrophobicContact CE1-CG1 4.07Å; F370-I381 HydrophobicContact CE1-CG2 3.84Å; F370-I381 HydrophobicContact CZ-CB 4.1Å; F370-I381 HydrophobicContact CZ-CG1 4.01Å; F370-I381 HydrophobicContact CZ-CG2 4.48Å; F370-I381 PolarHBondContact N-O 3.45Å; F370-I381 PolarHBondContact O-N 3.42Å; L372-I381 HydrophobicContact CB-CG1 3.87Å; L372-I381 HydrophobicContact CD2-CG1 4.48Å; I381-D385 HydrophobicContact CG2-CB 4.08Å; I381-I387 HydrophobicContact CG2-CD1 4.21Å; I381-I387 HydrophobicContact CG2-CG1 4.22Å
382R98.5Very high97.5Very high57 Ų5736 Ų3622%0.21518%0.184CC..  trans-84.6154.2177.9-59-177.2-162.2176.313.1110.6R25 R26 Q28 E31 A366 D369 D385R25-R382 VanDerWaalsContact NE-CZ 3.29Å; R25-R382 VanDerWaalsContact NH2-CD 3.29Å; R25-R382 VanDerWaalsContact NH2-CG 3.32Å; R26-R382 PolarHBondContact O-NH2 3.24Å; Q28-R382 VanDerWaalsContact CD-NH2 3.31Å; E31-R382 VanDerWaalsContact CD-NH2 3.3Å; E31-R382 WeakPolarHBondContact OE1-CG 3.37Å; E31-R382 IonicContact OE1-CZ 3.61Å; E31-R382 VanDerWaalsContact OE1-CZ 3.29Å; E31-R382 IonicContact OE1-NE 2.64Å; E31-R382 PolarHBondContact OE1-NE 3.27Å; E31-R382 IonicContact OE1-NH2 3.57Å; E31-R382 PolarHBondContact OE1-NH2 3.07Å; E31-R382 VanDerWaalsContact OE1-NH2 3.13Å; E31-R382 IonicContact OE2-CZ 2.82Å; E31-R382 IonicContact OE2-NE 2.81Å; E31-R382 IonicContact OE2-NH2 3.6Å; E31-R382 PolarHBondContact OE2-NH2 2.84Å; A366-R382 VanDerWaalsContact CB-O 3.31Å; A366-R382 WeakPolarHBondContact CB-O 3.21Å; D369-R382 WeakPolarHBondContact OD1-CA 3.28Å; R382-D385 WeakPolarHBondContact CB-OD2 3.43Å; R382-D385 PolarHBondContact N-OD2 3.24Å; R382-D385 VanDerWaalsContact O-CB 3.25Å; R382-D385 WeakPolarHBondContact O-CB 3.39Å; R382-D385 PolarHBondContact O-N 3.38Å
383K98.3Very high97.5Very high117 Ų11736.1 Ų36.151%0.50919%0.185SC..THydrogen-bonded Turntrans-49140.3168.7-178.6172.1177.1-177.30110.6K367 D369 D385K367-K383 WeakPolarHBondContact O-CE 3.26Å; K367-K383 WeakPolarHBondContact O-CG 3.3Å; D369-K383 WeakPolarHBondContact OD1-CB 3.36Å; D369-K383 PolarHBondContact OD1-N 2.85Å; K383-D385 PolarHBondContact O-N 3.03Å; K383-D385 VanDerWaalsContact O-N 3.12Å
384D97.4Very high97.6Very high60 Ų6030.5 Ų30.532%0.32116%0.159SC..THydrogen-bonded Turntrans66.3-1.3-179.7-63.9-55.5000116K99 A366K99-D384 IonicContact NZ-OD1 2.65Å; K99-D384 PolarHBondContact NZ-OD1 3.23Å; A366-D384 PolarHBondContact O-N 2.72Å
385D98.3Very high97.6Very high10 Ų1029.9 Ų29.95%0.05316%0.156CC..  trans-66.5151167.7-71.1-20.1000111R25 Y75 H77 T365 A366 I381 R382 K383R25-D385 IonicContact CZ-OD1 3.32Å; R25-D385 IonicContact CZ-OD2 2.74Å; R25-D385 VanDerWaalsContact CZ-OD2 3.22Å; R25-D385 IonicContact NH1-OD1 3.34Å; R25-D385 PolarHBondContact NH1-OD1 3.02Å; R25-D385 IonicContact NH1-OD2 3.62Å; R25-D385 PolarHBondContact NH1-OD2 3.4Å; R25-D385 IonicContact NH2-OD2 2.68Å; R25-D385 PolarHBondContact NH2-OD2 3.2Å; Y75-D385 WeakPolarHBondContact CB-OD1 3.35Å; H77-D385 IonicContact CE1-OD2 3.91Å; H77-D385 VanDerWaalsContact NE2-CB 3.27Å; H77-D385 WeakPolarHBondContact NE2-CB 3.19Å; H77-D385 IonicContact NE2-OD2 2.86Å; H77-D385 PolarHBondContact NE2-OD2 2.88Å; T365-D385 WeakPolarHBondContact CA-O 3.33Å; A366-D385 PolarHBondContact N-O 2.92Å; I381-D385 HydrophobicContact CG2-CB 4.08Å; R382-D385 WeakPolarHBondContact CB-OD2 3.43Å; R382-D385 PolarHBondContact N-OD2 3.24Å; R382-D385 VanDerWaalsContact O-CB 3.25Å; R382-D385 WeakPolarHBondContact O-CB 3.39Å; R382-D385 PolarHBondContact O-N 3.38Å; K383-D385 PolarHBondContact O-N 3.03Å; K383-D385 VanDerWaalsContact O-N 3.12Å
386I98.4Very high97.8Very high4 Ų425.3 Ų25.32%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-95.3133177.9-60.2-59.1000109.4K74 Y75 V76 H77 F100 I363 R364 T365 A388K74-I386 HydrophobicContact CB-CG1 4.35Å; Y75-I386 PolarHBondContact O-N 3.21Å; V76-I386 CarbonylContact C-O 3.54Å; V76-I386 WeakPolarHBondContact CA-O 3.48Å; V76-I386 HydrophobicContact CB-CB 4.46Å; V76-I386 HydrophobicContact CG1-CB 4.41Å; V76-I386 HydrophobicContact CG1-CG2 4.09Å; V76-I386 HydrophobicContact CG2-CB 4.11Å; V76-I386 HydrophobicContact CG2-CG2 4.38Å; H77-I386 PolarHBondContact CD2-O 3.31Å; H77-I386 VanDerWaalsContact CD2-O 3.31Å; H77-I386 PolarHBondContact N-O 2.78Å; F100-I386 HydrophobicContact CD2-CD1 4.12Å; I363-I386 HydrophobicContact CB-CG2 4.41Å; I363-I386 HydrophobicContact CD1-CG2 4.49Å; I363-I386 HydrophobicContact CG1-CG2 4.06Å; I363-I386 HydrophobicContact CG2-CD1 4.32Å; I363-I386 HydrophobicContact CG2-CG2 3.75Å; R364-I386 CarbonylContact O-C 3.54Å; R364-I386 WeakPolarHBondContact O-CA 3.26Å; T365-I386 HydrophobicContact CG2-CD1 4.19Å; T365-I386 WeakPolarHBondContact OG1-CD1 3.26Å; I386-A388 HydrophobicContact CG2-CB 4.43Å
387I98.7Very high98.4Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-106.5120.2170.6-57.7168.6000106.4I79 V88 F95 R364 F370 L372 I381I79-I387 HydrophobicContact CD1-CG2 3.54Å; V88-I387 HydrophobicContact CG1-CG2 3.73Å; V88-I387 HydrophobicContact CG2-CG2 4.2Å; F95-I387 HydrophobicContact CD1-CD1 3.96Å; F95-I387 HydrophobicContact CE1-CD1 3.49Å; F95-I387 VanDerWaalsContact CE1-CD1 3.49Å; R364-I387 HydrophobicContact CB-CB 4.44Å; R364-I387 PolarHBondContact N-O 3.28Å; R364-I387 PolarHBondContact O-N 2.81Å; F370-I387 HydrophobicContact CE1-CD1 4.09Å; F370-I387 HydrophobicContact CZ-CD1 3.77Å; L372-I387 HydrophobicContact CD2-CG2 4.44Å; I381-I387 HydrophobicContact CG2-CD1 4.21Å; I381-I387 HydrophobicContact CG2-CG1 4.22Å
388A98.5Very high98.5Very high0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-126.5140.3-171.900000112.5V76 H77 F78 I79 L361 N362 I363 I386V76-A388 HydrophobicContact CG1-CB 3.53Å; H77-A388 PolarHBondContact O-N 2.92Å; F78-A388 WeakPolarHBondContact CA-O 3.2Å; F78-A388 HydrophobicContact CD1-CB 4.12Å; F78-A388 HydrophobicContact CE1-CB 4.07Å; I79-A388 PolarHBondContact N-O 3.38Å; L361-A388 HydrophobicContact CD2-CB 4.3Å; N362-A388 CarbonylContact O-C 3.41Å; N362-A388 VanDerWaalsContact O-CA 3.28Å; N362-A388 WeakPolarHBondContact O-CA 3.49Å; I363-A388 HydrophobicContact CG1-CB 4.31Å; I386-A388 HydrophobicContact CG2-CB 4.43Å
389L98.8Very high98.5Very high0 Ų028.6 Ų28.60%014%0.142CC..EExtended strand (participates in β ladder)trans-108143.8160.9-44.7177.8000108.5I79 Y85 V88 L89 N362 P391 M435I79-L389 HydrophobicContact CB-CD2 3.72Å; I79-L389 HydrophobicContact CG2-CD2 4.11Å; I79-L389 WeakPolarHBondContact O-CD2 3.39Å; Y85-L389 HydrophobicContact CD1-CD1 4.11Å; Y85-L389 HydrophobicContact CD1-CD2 3.82Å; Y85-L389 HydrophobicContact CD1-CG 4.49Å; Y85-L389 HydrophobicContact CD2-CD1 4.06Å; Y85-L389 HydrophobicContact CE1-CB 4.47Å; Y85-L389 HydrophobicContact CE1-CD1 4.47Å; Y85-L389 HydrophobicContact CE1-CD2 3.88Å; Y85-L389 HydrophobicContact CE2-CD1 4.42Å; Y85-L389 HydrophobicContact CG-CD1 3.88Å; Y85-L389 HydrophobicContact CG-CD2 4.43Å; V88-L389 HydrophobicContact CB-CD2 4.34Å; V88-L389 HydrophobicContact CG1-CD2 4.31Å; V88-L389 HydrophobicContact CG1-CG 4.41Å; V88-L389 HydrophobicContact CG2-CD2 4.38Å; L89-L389 HydrophobicContact CD1-CD1 4.25Å; L89-L389 HydrophobicContact CD2-CD1 3.95Å; L89-L389 HydrophobicContact CG-CD1 3.91Å; N362-L389 HydrophobicContact CB-CB 4.07Å; N362-L389 HydrophobicContact CB-CG 4.44Å; N362-L389 PolarHBondContact N-O 3.2Å; N362-L389 PolarHBondContact O-N 2.81Å; L389-P391 HydrophobicContact CB-CG 4.37Å; L389-P391 WeakPolarHBondContact O-CD 3.49Å; L389-M435 HydrophobicContact CD1-CE 4.28Å
390Y98.6Very high98.5Very high1 Ų127.2 Ų27.20%0.00414%0.137CC..  trans-119.182.3168.5-167.7-106.1000108.6L53 L56 A359 L361 Q392 L393L53-Y390 HydrophobicContact CD1-CE1 4.32Å; L56-Y390 HydrophobicContact CD1-CD1 3.37Å; L56-Y390 HydrophobicContact CD1-CD2 4.22Å; L56-Y390 HydrophobicContact CD1-CE1 4.06Å; L56-Y390 HydrophobicContact CD1-CG 3.45Å; L56-Y390 VanDerWaalsContact CD1-CG 3.45Å; A359-Y390 HydrophobicContact CB-CE2 4.35Å; A359-Y390 WeakPolarHBondContact CB-OH 3.41Å; A359-Y390 WeakPolarHBondContact O-CE2 3.26Å; L361-Y390 HydrophobicContact CD2-CD2 3.86Å; L361-Y390 HydrophobicContact CG-CD2 4.07Å; Y390-Q392 HydrophobicContact CD1-CB 3.92Å; Y390-Q392 HydrophobicContact CE1-CB 3.59Å; Y390-Q392 HydrophobicContact CE1-CG 4.35Å; Y390-Q392 VanDerWaalsContact CE1-OE1 3.27Å; Y390-Q392 PolarHBondContact O-N 2.9Å; Y390-Q392 PolarHBondContact OH-OE1 3.34Å; Y390-L393 HydrophobicContact CD1-CG 4.22Å; Y390-L393 WeakPolarHBondContact O-CB 3.39Å; Y390-L393 PolarHBondContact O-N 2.82Å
391P98.8Very high98.5Very high1 Ų124.4 Ų24.41%0.00612%0.122CC..THydrogen-bonded Turntrans-62.7-12.7-167.3-25.337000115.1Y85 S360 L389 L393 M394 H395 M435Y85-P391 HydrophobicContact CE2-CB 4.43Å; S360-P391 WeakPolarHBondContact O-CD 3.48Å; L389-P391 HydrophobicContact CB-CG 4.37Å; L389-P391 WeakPolarHBondContact O-CD 3.49Å; P391-L393 PolarHBondContact O-N 2.91Å; P391-M394 HydrophobicContact CB-CE 4.38Å; P391-M394 CarbonylContact O-C 3.54Å; P391-M394 WeakPolarHBondContact O-CA 3.19Å; P391-M394 WeakPolarHBondContact O-CB 3.22Å; P391-M394 PolarHBondContact O-N 3.3Å; P391-H395 PolarHBondContact O-N 3.2Å; P391-M435 HydrophobicContact CB-CB 3.87Å; P391-M435 HydrophobicContact CB-SD 4.3Å; P391-M435 HydrophobicContact CG-CB 4.14Å; P391-M435 HydrophobicContact CG-CE 4.04Å; P391-M435 HydrophobicContact CG-SD 4.25Å
392Q98.8Very high98.5Very high1 Ų128 Ų281%0.00515%0.145CC..Hα-helixtrans-56.9-31.1170.2-166.6174.752.200112.2L53 S358 Y390 M394 H395 L396L53-Q392 HydrophobicContact CD1-CG 4.29Å; S358-Q392 WeakPolarHBondContact O-CB 3.46Å; S358-Q392 VanDerWaalsContact O-CG 3.31Å; S358-Q392 WeakPolarHBondContact O-CG 3.39Å; S358-Q392 PolarHBondContact O-NE2 2.79Å; Y390-Q392 HydrophobicContact CD1-CB 3.92Å; Y390-Q392 HydrophobicContact CE1-CB 3.59Å; Y390-Q392 HydrophobicContact CE1-CG 4.35Å; Y390-Q392 VanDerWaalsContact CE1-OE1 3.27Å; Y390-Q392 PolarHBondContact O-N 2.9Å; Y390-Q392 PolarHBondContact OH-OE1 3.34Å; Q392-M394 VanDerWaalsContact C-N 3.29Å; Q392-M394 PolarHBondContact O-N 3.43Å; Q392-H395 PolarHBondContact O-N 2.77Å; Q392-L396 HydrophobicContact CG-CD1 3.83Å; Q392-L396 HydrophobicContact CG-CG 4.17Å; Q392-L396 WeakPolarHBondContact O-CB 3.17Å; Q392-L396 WeakPolarHBondContact O-CG 3.42Å; Q392-L396 PolarHBondContact O-N 3.38Å
393L98.8Very high98.5Very high11 Ų1129.9 Ų29.96%0.05816%0.16CC..Hα-helixtrans-57.5-44.2172.2-71.9167.5000111.5L53 L56 R57 T80 Y390 P391 D397L53-L393 HydrophobicContact CD1-CD2 3.78Å; L53-L393 HydrophobicContact CD1-CG 4.34Å; L56-L393 HydrophobicContact CB-CD1 4.16Å; L56-L393 HydrophobicContact CB-CD2 4.26Å; L56-L393 HydrophobicContact CD1-CD1 4.31Å; R57-L393 HydrophobicContact CG-CD2 3.64Å; T80-L393 HydrophobicContact CG2-CD1 3.56Å; Y390-L393 HydrophobicContact CD1-CG 4.22Å; Y390-L393 WeakPolarHBondContact O-CB 3.39Å; Y390-L393 PolarHBondContact O-N 2.82Å; P391-L393 PolarHBondContact O-N 2.91Å; L393-D397 PolarHBondContact O-N 2.88Å
394M98.8Very high98.5Very high0 Ų025.3 Ų25.30%014%0.142CC..Hα-helixtrans-75.6-41.2178.3177.4-163.869.800111.8P82 Y85 P391 Q392 L396 D397 I400 Y433 M435P82-M394 HydrophobicContact CB-CG 3.95Å; P82-M394 HydrophobicContact CB-SD 4.23Å; P82-M394 HydrophobicContact CG-CB 4.1Å; P82-M394 HydrophobicContact CG-CG 3.94Å; Y85-M394 HydrophobicContact CD2-SD 4.04Å; Y85-M394 HydrophobicContact CE2-CB 4.17Å; Y85-M394 HydrophobicContact CE2-CE 4.42Å; Y85-M394 HydrophobicContact CE2-SD 3.8Å; P391-M394 HydrophobicContact CB-CE 4.38Å; P391-M394 CarbonylContact O-C 3.54Å; P391-M394 WeakPolarHBondContact O-CA 3.19Å; P391-M394 WeakPolarHBondContact O-CB 3.22Å; P391-M394 PolarHBondContact O-N 3.3Å; Q392-M394 VanDerWaalsContact C-N 3.29Å; Q392-M394 PolarHBondContact O-N 3.43Å; M394-L396 PolarHBondContact O-N 2.84Å; M394-D397 WeakPolarHBondContact O-CB 3.36Å; M394-D397 PolarHBondContact O-N 2.82Å; M394-I400 HydrophobicContact CG-CD1 3.59Å; M394-Y433 VanDerWaalsContact CE-C 3.42Å; M394-Y433 WeakPolarHBondContact CE-O 3.25Å; M394-M435 HydrophobicContact CE-CB 4.32Å; M394-M435 HydrophobicContact CE-CG 3.99Å; M394-M435 HydrophobicContact CE-SD 4.02Å
395H98.9Very high98.6Very high0 Ų028.7 Ų28.70%016%0.159CC..Hα-helixtrans-61.8-32.1178.9-68.5157.7000112.1R355 P391 Q392 Y401 M435R355-H395 HydrophobicContact CG-CB 3.69Å; R355-H395 PolarHBondContact NH1-O 3.33Å; R355-H395 WeakPolarHBondContact O-CB 3.34Å; P391-H395 PolarHBondContact O-N 3.2Å; Q392-H395 PolarHBondContact O-N 2.77Å; H395-Y401 VanDerWaalsContact O-CD2 3.27Å; H395-Y401 WeakPolarHBondContact O-CD2 3.4Å; H395-M435 PolarHBondContact NE2-N 3.17Å
396L98.8Very high98.6Very high8 Ų831.7 Ų31.74%0.04218%0.178CC..THydrogen-bonded Turntrans-105.822.2179.7-54.4-177.1000112.9L53 R57 L356 Q392 M394 P404 L405L53-L396 HydrophobicContact CD2-CD1 3.72Å; R57-L396 PolarHBondContact NH2-O 2.85Å; L356-L396 HydrophobicContact CD2-CD2 4.09Å; Q392-L396 HydrophobicContact CG-CD1 3.83Å; Q392-L396 HydrophobicContact CG-CG 4.17Å; Q392-L396 WeakPolarHBondContact O-CB 3.17Å; Q392-L396 WeakPolarHBondContact O-CG 3.42Å; Q392-L396 PolarHBondContact O-N 3.38Å; M394-L396 PolarHBondContact O-N 2.84Å; L396-P404 WeakPolarHBondContact O-CB 3.14Å; L396-L405 HydrophobicContact CD1-CD2 4.23Å; L396-L405 HydrophobicContact CD2-CD2 4.27Å
397D98.7Very high98.6Very high37 Ų3732.2 Ų32.220%0.19818%0.18CC..  trans-82.4118.2177.1-166.5-30.9000110.3L393 M394 E399 I400 Y401L393-D397 PolarHBondContact O-N 2.88Å; M394-D397 WeakPolarHBondContact O-CB 3.36Å; M394-D397 PolarHBondContact O-N 2.82Å; D397-E399 PolarHBondContact O-N 2.91Å; D397-E399 WeakPolarHBondContact OD1-CB 3.38Å; D397-E399 PolarHBondContact OD1-N 3.04Å; D397-I400 HydrophobicContact CB-CB 4.35Å; D397-I400 HydrophobicContact CB-CD1 3.98Å; D397-I400 HydrophobicContact CB-CG1 4.16Å; D397-I400 PolarHBondContact O-N 2.89Å; D397-Y401 PolarHBondContact O-N 2.74Å
398P98.3Very high98.6Very high86 Ų8635.1 Ų35.156%0.55819%0.193SC*.THydrogen-bonded Turntrans-65.9-22179.527.5-34.6000114.2I400 P404P398-I400 VanDerWaalsContact C-N 3.32Å; P398-P404 HydrophobicContact CB-CG 3.98Å
399E97.4Very high98.6Very high107 Ų10737.7 Ų37.750%0.520%0.203SC..THydrogen-bonded Turntrans-69.8-33175.9178.462.3-163.700111.3D397 N426D397-E399 PolarHBondContact O-N 2.91Å; D397-E399 WeakPolarHBondContact OD1-CB 3.38Å; D397-E399 PolarHBondContact OD1-N 3.04Å; E399-N426 PolarHBondContact OE1-N 2.9Å
400I98.6Very high98.6Very high9 Ų941.3 Ų41.35%0.04622%0.222CC..THydrogen-bonded Turntrans-91-41.1179.6-56.3171.9000110.5P82 M394 D397 P398 F423 C425 L430P82-I400 HydrophobicContact CB-CD1 4.08Å; P82-I400 HydrophobicContact CG-CD1 3.87Å; M394-I400 HydrophobicContact CG-CD1 3.59Å; D397-I400 HydrophobicContact CB-CB 4.35Å; D397-I400 HydrophobicContact CB-CD1 3.98Å; D397-I400 HydrophobicContact CB-CG1 4.16Å; D397-I400 PolarHBondContact O-N 2.89Å; P398-I400 VanDerWaalsContact C-N 3.32Å; I400-F423 HydrophobicContact CG2-CB 4.3Å; I400-C425 HydrophobicContact CD1-CB 4.3Å; I400-C425 HydrophobicContact CG1-CB 3.93Å; I400-L430 HydrophobicContact CB-CD1 4.49Å; I400-L430 HydrophobicContact CD1-CD1 3.6Å; I400-L430 HydrophobicContact CG1-CD1 3.9Å; I400-L430 HydrophobicContact CG2-CD1 3.74Å
401Y98.8Very high98.6Very high1 Ų142.2 Ų42.20%0.00423%0.225CC..SBendtrans-128.193.4-172.1-66-64.2000110.6H395 D397 D403 P404 R411 Y412 F423 Y433H395-Y401 VanDerWaalsContact O-CD2 3.27Å; H395-Y401 WeakPolarHBondContact O-CD2 3.4Å; D397-Y401 PolarHBondContact O-N 2.74Å; Y401-D403 PolarHBondContact O-N 3.43Å; Y401-P404 WeakPolarHBondContact O-CA 3.41Å; Y401-P404 WeakPolarHBondContact O-CB 3.39Å; Y401-P404 VanDerWaalsContact O-CD 3.28Å; Y401-P404 WeakPolarHBondContact O-CD 3.38Å; Y401-R411 HydrophobicContact CD1-CG 4.37Å; Y401-Y412 HydrophobicContact CE1-CE1 4.49Å; Y401-Y412 PolarHBondContact OH-OH 2.92Å; Y401-Y412 VanDerWaalsContact OH-OH 3.1Å; Y401-F423 HydrophobicContact CD1-CD1 4.11Å; Y401-F423 HydrophobicContact CD1-CE1 4.05Å; Y401-F423 AromaticContact CE1-CD1 3.47Å; Y401-F423 HydrophobicContact CE1-CD1 3.47Å; Y401-F423 VanDerWaalsContact CE1-CD1 3.47Å; Y401-F423 AromaticContact CE1-CE1 3.38Å; Y401-F423 HydrophobicContact CE1-CE1 3.38Å; Y401-F423 HydrophobicContact CE1-CG 4.29Å; Y401-F423 HydrophobicContact CE1-CZ 4.12Å; Y401-Y433 PolarHBondContact OH-O 3.33Å
402P98.4Very high98.6Very high79 Ų7942.2 Ų42.251%0.51323%0.225SC..SBendtrans-56.4136.1176.3-26.935000112K408 R411P402-K408 PolarHBondContact O-NZ 3.09Å; P402-R411 PolarHBondContact O-NH1 3.41Å; P402-R411 PolarHBondContact O-NH2 3.41Å; P402-R411 VanDerWaalsContact O-NH2 3.16Å
403D98.5Very high98.6Very high96 Ų9643.3 Ų43.351%0.51323%0.231SC..SBendtrans50.565.4-167.6-46-61000111.3Y401 L405 T406 K408 R411Y401-D403 PolarHBondContact O-N 3.43Å; D403-L405 PolarHBondContact O-N 2.91Å; D403-L405 VanDerWaalsContact O-N 3.15Å; D403-T406 WeakPolarHBondContact O-CB 3.37Å; D403-T406 PolarHBondContact O-N 3.2Å; D403-K408 IonicContact OD2-NZ 4Å; D403-K408 PolarHBondContact OD2-NZ 2.89Å; D403-R411 PolarHBondContact O-NH2 3.16Å
404P98.6Very high98.6Very high21 Ų2145.7 Ų45.714%0.13624%0.244CC..THydrogen-bonded Turntrans-67.4-20.5-166.625.2-34.3000113.2R355 L356 L396 P398 Y401R355-P404 VanDerWaalsContact CZ-O 3.24Å; R355-P404 PolarHBondContact NH1-O 3.11Å; R355-P404 PolarHBondContact NH2-O 2.99Å; L356-P404 WeakPolarHBondContact CD2-O 3.27Å; L396-P404 WeakPolarHBondContact O-CB 3.14Å; P398-P404 HydrophobicContact CB-CG 3.98Å; Y401-P404 WeakPolarHBondContact O-CA 3.41Å; Y401-P404 WeakPolarHBondContact O-CB 3.39Å; Y401-P404 VanDerWaalsContact O-CD 3.28Å; Y401-P404 WeakPolarHBondContact O-CD 3.38Å
405L98.4Very high98.4Very high130 Ų13055.2 Ų55.268%0.68129%0.289SS*.THydrogen-bonded Turntrans-89.3-7.3177.5-58.4-178.7000113L396 D403L396-L405 HydrophobicContact CD1-CD2 4.23Å; L396-L405 HydrophobicContact CD2-CD2 4.27Å; D403-L405 PolarHBondContact O-N 2.91Å; D403-L405 VanDerWaalsContact O-N 3.15Å
406T98.6Very high98.3Very high73 Ų7361.7 Ų61.745%0.44832%0.323SS..SBendtrans-92127.9-179.7-56.90000110E352 R355 D403 K408 R411E352-T406 VanDerWaalsContact OE1-O 3.11Å; R355-T406 PolarHBondContact NH2-O 2.9Å; D403-T406 WeakPolarHBondContact O-CB 3.37Å; D403-T406 PolarHBondContact O-N 3.2Å; T406-K408 HydrophobicContact CG2-CG 4.28Å; T406-K408 PolarHBondContact O-N 2.97Å; T406-R411 PolarHBondContact O-NH2 3.42Å
407F98.8Very high98Very high16 Ų1663 Ų637%0.0734%0.338CS..  trans-69.6117.3169.5177.5-92.7000109.4Q300 N304 A307 I349 E352 L356Q300-F407 HydrophobicContact CB-CD1 4.15Å; Q300-F407 HydrophobicContact CB-CD2 3.58Å; Q300-F407 HydrophobicContact CB-CE1 3.94Å; Q300-F407 HydrophobicContact CB-CE2 3.39Å; Q300-F407 HydrophobicContact CB-CG 3.98Å; Q300-F407 HydrophobicContact CB-CZ 3.58Å; Q300-F407 HydrophobicContact CG-CD2 3.64Å; Q300-F407 HydrophobicContact CG-CE2 3.88Å; Q300-F407 HydrophobicContact CG-CG 4.15Å; N304-F407 HydrophobicContact CB-CD1 4.4Å; N304-F407 HydrophobicContact CB-CE1 4.35Å; N304-F407 WeakPolarHBondContact ND2-CD1 3.48Å; A307-F407 HydrophobicContact CB-CE1 4.15Å; I349-F407 HydrophobicContact CG1-CZ 4.41Å; I349-F407 HydrophobicContact CG2-CZ 4.29Å; E352-F407 HydrophobicContact CB-CD2 4.07Å; E352-F407 HydrophobicContact CB-CE2 3.77Å; E352-F407 HydrophobicContact CG-CD2 3.36Å; E352-F407 HydrophobicContact CG-CE2 3.59Å; E352-F407 HydrophobicContact CG-CG 4.06Å; E352-F407 HydrophobicContact CG-CZ 4.46Å; L356-F407 HydrophobicContact CD1-CB 3.83Å; L356-F407 HydrophobicContact CD1-CD2 4.04Å; L356-F407 HydrophobicContact CD1-CG 4.46Å
408K98.8Very high97.9Very high60 Ų6068 Ų6826%0.26136%0.358SS..  trans-119.5106.4172.2-61.1-176.6-173.8174.40108.4E352 P402 D403 T406 D410 R411E352-K408 WeakPolarHBondContact CG-O 3.48Å; E352-K408 PolarHBondContact OE1-N 3.03Å; E352-K408 VanDerWaalsContact OE1-N 3.1Å; P402-K408 PolarHBondContact O-NZ 3.09Å; D403-K408 IonicContact OD2-NZ 4Å; D403-K408 PolarHBondContact OD2-NZ 2.89Å; T406-K408 HydrophobicContact CG2-CG 4.28Å; T406-K408 PolarHBondContact O-N 2.97Å; K408-D410 PolarHBondContact O-N 3.03Å; K408-D410 VanDerWaalsContact O-N 3.11Å; K408-R411 HydrophobicContact CB-CB 4.16Å; K408-R411 VanDerWaalsContact O-CB 3.28Å; K408-R411 WeakPolarHBondContact O-CB 3.15Å; K408-R411 PolarHBondContact O-N 3.29Å
409Y98.8Very high97.9Very high54 Ų5466.3 Ų66.321%0.21235%0.346CS..THydrogen-bonded Turntrans-61.1-25.5-169.883-88.1000113.2E306 A307 A310 V345 S348E306-Y409 HydrophobicContact CB-CD1 4.34Å; E306-Y409 HydrophobicContact CB-CE1 3.9Å; A307-Y409 HydrophobicContact CB-CD1 4.23Å; A307-Y409 HydrophobicContact CB-CD2 4.45Å; A307-Y409 HydrophobicContact CB-CG 3.82Å; A310-Y409 HydrophobicContact CB-CD2 4.36Å; A310-Y409 HydrophobicContact CB-CE2 3.66Å; V345-Y409 HydrophobicContact CG1-CD2 4.29Å; V345-Y409 HydrophobicContact CG1-CE2 4.41Å; S348-Y409 CarbonylContact C-O 3.45Å; S348-Y409 WeakPolarHBondContact CB-O 3.24Å; S348-Y409 PolarHBondContact OG-O 3.46Å
410D98.7Very high97.9Very high76 Ų7664.6 Ų64.641%0.40634%0.337SS..THydrogen-bonded Turntrans-98.67.2-178.264.8-20.2000113.1K408 Y412 L413K408-D410 PolarHBondContact O-N 3.03Å; K408-D410 VanDerWaalsContact O-N 3.11Å; D410-Y412 PolarHBondContact O-N 3.44Å; D410-L413 HydrophobicContact CB-CB 4.33Å; D410-L413 HydrophobicContact CB-CD1 4.07Å; D410-L413 HydrophobicContact CB-CG 4.48Å; D410-L413 WeakPolarHBondContact O-CB 3.1Å; D410-L413 PolarHBondContact O-N 3.24Å
411R98.8Very high97.8Very high20 Ų2067.8 Ų67.88%0.07536%0.357CS..THydrogen-bonded Turntrans-56.8-29.3-177.3-166.9177.2-65.6-93.211113.4E352 Y401 P402 D403 T406 K408E352-R411 IonicContact OE1-CZ 3.34Å; E352-R411 IonicContact OE1-NE 2.84Å; E352-R411 PolarHBondContact OE1-NE 3.24Å; E352-R411 IonicContact OE1-NH2 3.49Å; E352-R411 WeakPolarHBondContact OE2-CD 3.28Å; E352-R411 IonicContact OE2-NE 3.33Å; E352-R411 PolarHBondContact OE2-NE 3.34Å; Y401-R411 HydrophobicContact CD1-CG 4.37Å; P402-R411 PolarHBondContact O-NH1 3.41Å; P402-R411 PolarHBondContact O-NH2 3.41Å; P402-R411 VanDerWaalsContact O-NH2 3.16Å; D403-R411 PolarHBondContact O-NH2 3.16Å; T406-R411 PolarHBondContact O-NH2 3.42Å; K408-R411 HydrophobicContact CB-CB 4.16Å; K408-R411 VanDerWaalsContact O-CB 3.28Å; K408-R411 WeakPolarHBondContact O-CB 3.15Å; K408-R411 PolarHBondContact O-N 3.29Å
412Y98.8Very high97.8Very high1 Ų170.2 Ų70.20%0.00437%0.372CS..THydrogen-bonded Turntrans-105.622.6177.1-62.9-87000112.6S348 K351 E352 R355 Y401 D410 T419 K420 F423 Y433 Y434S348-Y412 WeakPolarHBondContact OG-CB 3.37Å; S348-Y412 PolarHBondContact OG-N 3.3Å; S348-Y412 VanDerWaalsContact OG-N 3.15Å; K351-Y412 HydrophobicContact CB-CD1 4.42Å; K351-Y412 HydrophobicContact CB-CD2 3.51Å; K351-Y412 HydrophobicContact CB-CE2 3.71Å; K351-Y412 HydrophobicContact CB-CG 3.89Å; K351-Y412 HydrophobicContact CD-CD1 4Å; K351-Y412 HydrophobicContact CD-CD2 4.42Å; K351-Y412 HydrophobicContact CD-CG 3.91Å; E352-Y412 HydrophobicContact CB-CD2 4.47Å; E352-Y412 HydrophobicContact CB-CE2 4.43Å; R355-Y412 WeakPolarHBondContact CD-OH 3.28Å; Y401-Y412 HydrophobicContact CE1-CE1 4.49Å; Y401-Y412 PolarHBondContact OH-OH 2.92Å; Y401-Y412 VanDerWaalsContact OH-OH 3.1Å; D410-Y412 PolarHBondContact O-N 3.44Å; Y412-T419 CarbonylContact O-C 3.59Å; Y412-T419 WeakPolarHBondContact O-CA 3.38Å; Y412-K420 PolarHBondContact O-N 3.45Å; Y412-F423 AromaticContact CD1-CE2 3.74Å; Y412-F423 HydrophobicContact CD1-CE2 3.74Å; Y412-F423 AromaticContact CD1-CZ 3.54Å; Y412-F423 HydrophobicContact CD1-CZ 3.54Å; Y412-F423 HydrophobicContact CE1-CE1 4.48Å; Y412-F423 AromaticContact CE1-CE2 3.78Å; Y412-F423 HydrophobicContact CE1-CE2 3.78Å; Y412-F423 AromaticContact CE1-CZ 3.62Å; Y412-F423 HydrophobicContact CE1-CZ 3.62Å; Y412-F423 HydrophobicContact CG-CZ 4.36Å; Y412-Y433 HydrophobicContact CE1-CD2 4.21Å; Y412-Y433 HydrophobicContact CE1-CE2 4.16Å; Y412-Y434 HydrophobicContact CE1-CD2 4.44Å
413L98.8Very high97.8Very high24 Ų2466.9 Ų66.913%0.12635%0.35CS..BIsolated β-bridgetrans-109.5145.8168.8-60.2178.3000110.5P344 V345 D410 K418P344-L413 HydrophobicContact CB-CD2 3.87Å; P344-L413 WeakPolarHBondContact O-CD2 3.46Å; V345-L413 HydrophobicContact CG2-CD1 4.13Å; D410-L413 HydrophobicContact CB-CB 4.33Å; D410-L413 HydrophobicContact CB-CD1 4.07Å; D410-L413 HydrophobicContact CB-CG 4.48Å; D410-L413 WeakPolarHBondContact O-CB 3.1Å; D410-L413 PolarHBondContact O-N 3.24Å; L413-K418 CarbonylContact C-O 3.56Å; L413-K418 VanDerWaalsContact CA-O 3.29Å; L413-K418 WeakPolarHBondContact CA-O 3.44Å
414D97.7Very high97.8Very high61 Ų6167.9 Ų67.933%0.32635%0.347SS..  trans-92.6177.9168.170.418.9000111.2N416 G417 K418 K420D414-N416 PolarHBondContact O-N 3.27Å; D414-N416 VanDerWaalsContact O-N 3.09Å; D414-N416 WeakPolarHBondContact OD1-CA 3.28Å; D414-N416 WeakPolarHBondContact OD1-CB 3.48Å; D414-N416 PolarHBondContact OD1-N 2.52Å; D414-G417 PolarHBondContact O-N 3.35Å; D414-G417 PolarHBondContact OD1-N 2.94Å; D414-K418 PolarHBondContact N-O 3.46Å; D414-K418 PolarHBondContact OD1-N 3.03Å; D414-K420 HydrophobicContact CB-CB 4.42Å
415E95.6Very high97.8Very high201 Ų20167.2 Ų67.294%0.93934%0.343SS*.THydrogen-bonded Turntrans-60.2-19.8-179.2-63.2174.2-174.800113.5
416N96Very high97.6Very high135 Ų13566.3 Ų66.372%0.72234%0.339SS*.THydrogen-bonded Turntrans-95.47177.1-58.2-63000112.6D414 K418D414-N416 PolarHBondContact O-N 3.27Å; D414-N416 VanDerWaalsContact O-N 3.09Å; D414-N416 WeakPolarHBondContact OD1-CA 3.28Å; D414-N416 WeakPolarHBondContact OD1-CB 3.48Å; D414-N416 PolarHBondContact OD1-N 2.52Å; N416-K418 VanDerWaalsContact C-N 3.26Å; N416-K418 PolarHBondContact O-N 3.17Å
417G93.9Very high97.5Very high35 Ų3566 Ų6636%0.36135%0.35SS..SBendtrans70.718.1-176.800000114.1D414D414-G417 PolarHBondContact O-N 3.35Å; D414-G417 PolarHBondContact OD1-N 2.94Å
418K95.9Very high97.5Very high144 Ų14470.1 Ų70.163%0.62637%0.372SS*.SBendtrans-96.4162.5175.1-64.1-174.3179.4-178.70111L413 D414 N416 K420L413-K418 CarbonylContact C-O 3.56Å; L413-K418 VanDerWaalsContact CA-O 3.29Å; L413-K418 WeakPolarHBondContact CA-O 3.44Å; D414-K418 PolarHBondContact N-O 3.46Å; D414-K418 PolarHBondContact OD1-N 3.03Å; N416-K418 VanDerWaalsContact C-N 3.26Å; N416-K418 PolarHBondContact O-N 3.17Å; K418-K420 PolarHBondContact O-N 2.92Å
419T97.4Very high97.4Very high49 Ų4973.5 Ų73.530%0.30139%0.387SS..BIsolated β-bridgetrans-60.2112.4179.9-58.60000112.2Y412 T421Y412-T419 CarbonylContact O-C 3.59Å; Y412-T419 WeakPolarHBondContact O-CA 3.38Å; T419-T421 HydrophobicContact CG2-CG2 4.31Å
420K98.1Very high97.4Very high71 Ų7171.2 Ų71.231%0.30938%0.378SS..  trans-72.6130.4172.8177.5178.1176177.60110.9Y412 D414 K418 T422 F423Y412-K420 PolarHBondContact O-N 3.45Å; D414-K420 HydrophobicContact CB-CB 4.42Å; K418-K420 PolarHBondContact O-N 2.92Å; K420-T422 WeakPolarHBondContact CE-O 3.33Å; K420-F423 HydrophobicContact CD-CE1 4.5Å; K420-F423 HydrophobicContact CD-CZ 4.16Å; K420-F423 HydrophobicContact CG-CE2 4.28Å; K420-F423 HydrophobicContact CG-CZ 4.2Å
421T97.4Very high97.3Very high76 Ų7675.1 Ų75.147%0.46639%0.392SS..  trans-126.56.9-179.860.20000113.6T419 Y433T419-T421 HydrophobicContact CG2-CG2 4.31Å; T421-Y433 WeakPolarHBondContact CA-OH 3.4Å; T421-Y433 WeakPolarHBondContact CB-OH 3.48Å; T421-Y433 VanDerWaalsContact O-CE1 3.27Å; T421-Y433 WeakPolarHBondContact O-CE1 3.44Å
422T97.8Very high97.3Very high53 Ų5376 Ų7633%0.32540%0.395SS..  trans-105.6108.9-178.144.60000110.3K420K420-T422 WeakPolarHBondContact CE-O 3.33Å
423F98.6Very high97.3Very high9 Ų977.8 Ų77.84%0.03940%0.402CS..  trans-131.9148.6174-64.3-87.5000108.4I400 Y401 Y412 K420 L430 Y433I400-F423 HydrophobicContact CG2-CB 4.3Å; Y401-F423 HydrophobicContact CD1-CD1 4.11Å; Y401-F423 HydrophobicContact CD1-CE1 4.05Å; Y401-F423 AromaticContact CE1-CD1 3.47Å; Y401-F423 HydrophobicContact CE1-CD1 3.47Å; Y401-F423 VanDerWaalsContact CE1-CD1 3.47Å; Y401-F423 AromaticContact CE1-CE1 3.38Å; Y401-F423 HydrophobicContact CE1-CE1 3.38Å; Y401-F423 HydrophobicContact CE1-CG 4.29Å; Y401-F423 HydrophobicContact CE1-CZ 4.12Å; Y412-F423 AromaticContact CD1-CE2 3.74Å; Y412-F423 HydrophobicContact CD1-CE2 3.74Å; Y412-F423 AromaticContact CD1-CZ 3.54Å; Y412-F423 HydrophobicContact CD1-CZ 3.54Å; Y412-F423 HydrophobicContact CE1-CE1 4.48Å; Y412-F423 AromaticContact CE1-CE2 3.78Å; Y412-F423 HydrophobicContact CE1-CE2 3.78Å; Y412-F423 AromaticContact CE1-CZ 3.62Å; Y412-F423 HydrophobicContact CE1-CZ 3.62Å; Y412-F423 HydrophobicContact CG-CZ 4.36Å; K420-F423 HydrophobicContact CD-CE1 4.5Å; K420-F423 HydrophobicContact CD-CZ 4.16Å; K420-F423 HydrophobicContact CG-CE2 4.28Å; K420-F423 HydrophobicContact CG-CZ 4.2Å; F423-L430 PolarHBondContact O-N 3.46Å; F423-Y433 HydrophobicContact CB-CD1 4.43Å; F423-Y433 HydrophobicContact CB-CG 4.04Å; F423-Y433 AromaticContact CD2-CD1 3.96Å; F423-Y433 HydrophobicContact CD2-CD1 3.96Å; F423-Y433 AromaticContact CD2-CD2 3.29Å; F423-Y433 HydrophobicContact CD2-CD2 3.29Å; F423-Y433 HydrophobicContact CD2-CE1 4.2Å; F423-Y433 AromaticContact CD2-CE2 3.58Å; F423-Y433 HydrophobicContact CD2-CE2 3.58Å; F423-Y433 AromaticContact CD2-CG 3.51Å; F423-Y433 HydrophobicContact CD2-CG 3.51Å; F423-Y433 AromaticContact CE2-CD2 3.66Å; F423-Y433 HydrophobicContact CE2-CD2 3.66Å; F423-Y433 AromaticContact CE2-CE2 3.61Å; F423-Y433 HydrophobicContact CE2-CE2 3.61Å; F423-Y433 HydrophobicContact CE2-CG 4.33Å; F423-Y433 HydrophobicContact CG-CD2 4.09Å; F423-Y433 HydrophobicContact CG-CG 4.05Å
424Y98.5Very high97.3Very high117 Ų11778.4 Ų78.446%0.45940%0.403SS..EExtended strand (participates in β ladder)trans-128.8155-172-61.3-98.6000110.1L428 K429Y424-L428 CarbonylContact C-O 3.52Å; Y424-L428 VanDerWaalsContact CA-O 3.22Å; Y424-L428 WeakPolarHBondContact CA-O 3.18Å; Y424-K429 HydrophobicContact CD1-CB 4.03Å; Y424-K429 HydrophobicContact CE1-CB 3.79Å; Y424-K429 HydrophobicContact CE1-CG 4.36Å
425C97.9Very high97.3Very high6 Ų675.6 Ų75.64%0.04139%0.388CS..EExtended strand (participates in β ladder)trans-139.1125.4168.3179.70000107.2L83 I400 G427 L428 L430L83-C425 HydrophobicContact CD2-CB 4.22Å; I400-C425 HydrophobicContact CD1-CB 4.3Å; I400-C425 HydrophobicContact CG1-CB 3.93Å; C425-G427 PolarHBondContact O-N 2.58Å; C425-L428 PolarHBondContact N-O 3.43Å; C425-L428 PolarHBondContact O-N 3.28Å; C425-L430 HydrophobicContact CB-CD1 4.1Å; C425-L430 HydrophobicContact CB-CD2 3.92Å; C425-L430 HydrophobicContact CB-CG 4.07Å
426N95.8Very high97.5Very high112 Ų11266.6 Ų66.660%0.59935%0.347SS*.THydrogen-bonded Turntrans51.840.8-177.1-57.5-17.5000112.5E399 L428E399-N426 PolarHBondContact OE1-N 2.9Å; N426-L428 PolarHBondContact O-N 3.21Å
427G95.9Very high97.6Very high66 Ų6662.3 Ų62.368%0.6832%0.322SS*.THydrogen-bonded Turntrans74.6-3.8-177.600000116C425C425-G427 PolarHBondContact O-N 2.58Å
428L97.6Very high97.8Very high103 Ų10361.1 Ų61.154%0.53931%0.31SS..EExtended strand (participates in β ladder)trans-98.3132.8180-61.8175.7000111.5L83 Y424 C425 N426 L430L83-L428 HydrophobicContact CD1-CD1 4.05Å; L83-L428 HydrophobicContact CD2-CB 3.97Å; L83-L428 HydrophobicContact CD2-CD1 4.16Å; Y424-L428 CarbonylContact C-O 3.52Å; Y424-L428 VanDerWaalsContact CA-O 3.22Å; Y424-L428 WeakPolarHBondContact CA-O 3.18Å; C425-L428 PolarHBondContact N-O 3.43Å; C425-L428 PolarHBondContact O-N 3.28Å; N426-L428 PolarHBondContact O-N 3.21Å; L428-L430 PolarHBondContact O-N 2.87Å
429K98Very high97.9Very high130 Ų13054.9 Ų54.957%0.56529%0.285SS*.EExtended strand (participates in β ladder)trans-66.7125.1178.6-175.9176.5176.7175.20110.6Y424Y424-K429 HydrophobicContact CD1-CB 4.03Å; Y424-K429 HydrophobicContact CE1-CB 3.79Å; Y424-K429 HydrophobicContact CE1-CG 4.36Å
430L98.2Very high97.8Very high7 Ų754.2 Ų54.24%0.03729%0.288CS..PPolyproline II helixtrans-78.9129.4177.3-69.5176000111.5P82 L83 I400 F423 C425 L428P82-L430 HydrophobicContact CB-CD2 4.15Å; L83-L430 HydrophobicContact CD2-CD2 3.88Å; I400-L430 HydrophobicContact CB-CD1 4.49Å; I400-L430 HydrophobicContact CD1-CD1 3.6Å; I400-L430 HydrophobicContact CG1-CD1 3.9Å; I400-L430 HydrophobicContact CG2-CD1 3.74Å; F423-L430 PolarHBondContact O-N 3.46Å; C425-L430 HydrophobicContact CB-CD1 4.1Å; C425-L430 HydrophobicContact CB-CD2 3.92Å; C425-L430 HydrophobicContact CB-CG 4.07Å; L428-L430 PolarHBondContact O-N 2.87Å
431K97.3Very high97.6Very high157 Ų15751.6 Ų51.668%0.68328%0.279SS*.SBendtrans-75.9-36.1166.6-177175179.7-178.90112
432Y98.4Very high97.6Very high38 Ų3848.9 Ų48.915%0.14926%0.262CS..  trans-120.8101.8-179.2-54.7-76.4000107.8H86 L89H86-Y432 HydrophobicContact CB-CD2 4.05Å; H86-Y432 HydrophobicContact CB-CE2 3.54Å; L89-Y432 HydrophobicContact CB-CE2 4.46Å; L89-Y432 HydrophobicContact CD1-CD1 3.77Å; L89-Y432 HydrophobicContact CD1-CD2 3.77Å; L89-Y432 HydrophobicContact CD1-CE1 3.98Å; L89-Y432 HydrophobicContact CD1-CE2 3.99Å; L89-Y432 HydrophobicContact CD1-CG 3.66Å
433Y98.5Very high97.6Very high39 Ų3949.1 Ų49.115%0.15326%0.261CS..SBendtrans-120.1-21.3179.954.5-97000112.1M394 Y401 Y412 T421 F423M394-Y433 VanDerWaalsContact CE-C 3.42Å; M394-Y433 WeakPolarHBondContact CE-O 3.25Å; Y401-Y433 PolarHBondContact OH-O 3.33Å; Y412-Y433 HydrophobicContact CE1-CD2 4.21Å; Y412-Y433 HydrophobicContact CE1-CE2 4.16Å; T421-Y433 WeakPolarHBondContact CA-OH 3.4Å; T421-Y433 WeakPolarHBondContact CB-OH 3.48Å; T421-Y433 VanDerWaalsContact O-CE1 3.27Å; T421-Y433 WeakPolarHBondContact O-CE1 3.44Å; F423-Y433 HydrophobicContact CB-CD1 4.43Å; F423-Y433 HydrophobicContact CB-CG 4.04Å; F423-Y433 AromaticContact CD2-CD1 3.96Å; F423-Y433 HydrophobicContact CD2-CD1 3.96Å; F423-Y433 AromaticContact CD2-CD2 3.29Å; F423-Y433 HydrophobicContact CD2-CD2 3.29Å; F423-Y433 HydrophobicContact CD2-CE1 4.2Å; F423-Y433 AromaticContact CD2-CE2 3.58Å; F423-Y433 HydrophobicContact CD2-CE2 3.58Å; F423-Y433 AromaticContact CD2-CG 3.51Å; F423-Y433 HydrophobicContact CD2-CG 3.51Å; F423-Y433 AromaticContact CE2-CD2 3.66Å; F423-Y433 HydrophobicContact CE2-CD2 3.66Å; F423-Y433 AromaticContact CE2-CE2 3.61Å; F423-Y433 HydrophobicContact CE2-CE2 3.61Å; F423-Y433 HydrophobicContact CE2-CG 4.33Å; F423-Y433 HydrophobicContact CG-CD2 4.09Å; F423-Y433 HydrophobicContact CG-CG 4.05Å
434Y98.8Very high97.6Very high38 Ų3851 Ų5115%0.14927%0.274CS..  trans-132122.1-179.4174.9-102.7000109K351 L354 Y412 P436 F437K351-Y434 HydrophobicContact CB-CD2 4.48Å; K351-Y434 HydrophobicContact CB-CE2 3.9Å; K351-Y434 HydrophobicContact CG-CE1 4Å; K351-Y434 HydrophobicContact CG-CE2 4.01Å; K351-Y434 WeakPolarHBondContact O-CE2 3.42Å; L354-Y434 HydrophobicContact CB-CE2 4.25Å; L354-Y434 VanDerWaalsContact CD1-OH 3.28Å; L354-Y434 WeakPolarHBondContact CD1-OH 3.41Å; Y412-Y434 HydrophobicContact CE1-CD2 4.44Å; Y434-P436 HydrophobicContact CD1-CG 4.3Å; Y434-P436 HydrophobicContact CD2-CG 4.22Å; Y434-P436 HydrophobicContact CE1-CG 3.61Å; Y434-P436 VanDerWaalsContact CE2-CD 3.47Å; Y434-P436 HydrophobicContact CE2-CG 3.49Å; Y434-P436 VanDerWaalsContact CE2-CG 3.49Å; Y434-P436 VanDerWaalsContact CZ-CD 3.44Å; Y434-P436 VanDerWaalsContact OH-CG 3.24Å; Y434-P436 WeakPolarHBondContact OH-CG 3.49Å; Y434-F437 HydrophobicContact CE1-CD2 4.39Å; Y434-F437 HydrophobicContact CE1-CE2 4.48Å
435M98.8Very high97.6Very high2 Ų246.8 Ų46.81%0.0126%0.262CS..  trans-145.128.8-165.3-67.5-175.166.900116.1Y85 L89 L389 P391 M394 H395 F437 G438Y85-M435 HydrophobicContact CD2-CE 4.42Å; Y85-M435 HydrophobicContact CD2-SD 3.62Å; Y85-M435 HydrophobicContact CE2-SD 3.95Å; L89-M435 HydrophobicContact CD1-CE 3.6Å; L89-M435 HydrophobicContact CD1-SD 4.23Å; L89-M435 HydrophobicContact CD2-CE 3.92Å; L89-M435 HydrophobicContact CG-CE 4.35Å; L389-M435 HydrophobicContact CD1-CE 4.28Å; P391-M435 HydrophobicContact CB-CB 3.87Å; P391-M435 HydrophobicContact CB-SD 4.3Å; P391-M435 HydrophobicContact CG-CB 4.14Å; P391-M435 HydrophobicContact CG-CE 4.04Å; P391-M435 HydrophobicContact CG-SD 4.25Å; M394-M435 HydrophobicContact CE-CB 4.32Å; M394-M435 HydrophobicContact CE-CG 3.99Å; M394-M435 HydrophobicContact CE-SD 4.02Å; H395-M435 PolarHBondContact NE2-N 3.17Å; M435-F437 PolarHBondContact O-N 2.88Å; M435-G438 PolarHBondContact O-N 2.83Å; M435-G438 VanDerWaalsContact O-N 3.09Å
436P98.6Very high97.6Very high12 Ų1247.1 Ų47.18%0.07827%0.266CS..THydrogen-bonded Turntrans-63.7-30.3176.826.7-32.5000112.5L354 S358 S360 Y434 G438 I488L354-P436 HydrophobicContact CB-CB 4.04Å; L354-P436 HydrophobicContact CB-CG 3.94Å; L354-P436 HydrophobicContact CD1-CB 4.43Å; L354-P436 HydrophobicContact CD1-CG 4.14Å; S358-P436 WeakPolarHBondContact OG-CA 3.04Å; S360-P436 PolarHBondContact OG-O 3.26Å; Y434-P436 HydrophobicContact CD1-CG 4.3Å; Y434-P436 HydrophobicContact CD2-CG 4.22Å; Y434-P436 HydrophobicContact CE1-CG 3.61Å; Y434-P436 VanDerWaalsContact CE2-CD 3.47Å; Y434-P436 HydrophobicContact CE2-CG 3.49Å; Y434-P436 VanDerWaalsContact CE2-CG 3.49Å; Y434-P436 VanDerWaalsContact CZ-CD 3.44Å; Y434-P436 VanDerWaalsContact OH-CG 3.24Å; Y434-P436 WeakPolarHBondContact OH-CG 3.49Å; P436-G438 VanDerWaalsContact C-N 3.33Å; P436-I488 HydrophobicContact CB-CD1 4.03Å
437F98.6Very high97.7Very high44 Ų4445.3 Ų45.319%0.19325%0.251CS..THydrogen-bonded Turntrans-88.67.4176.7-60.8-71.8000113.7L354 Y434 M435 I443 C444 R447 A450 I451L354-F437 HydrophobicContact CD1-CE2 4.06Å; L354-F437 HydrophobicContact CD1-CZ 4Å; Y434-F437 HydrophobicContact CE1-CD2 4.39Å; Y434-F437 HydrophobicContact CE1-CE2 4.48Å; M435-F437 PolarHBondContact O-N 2.88Å; F437-I443 CarbonylContact O-C 3.55Å; F437-I443 WeakPolarHBondContact O-CA 3.44Å; F437-I443 WeakPolarHBondContact O-CG1 3.14Å; F437-C444 HydrophobicContact CB-CB 4Å; F437-C444 HydrophobicContact CD1-CB 3.99Å; F437-C444 HydrophobicContact CG-CB 4.47Å; F437-C444 PolarHBondContact O-N 3.04Å; F437-R447 HydrophobicContact CB-CB 4.08Å; F437-R447 HydrophobicContact CD1-CB 3.65Å; F437-R447 HydrophobicContact CD2-CB 4.18Å; F437-R447 HydrophobicContact CE1-CB 4.09Å; F437-R447 HydrophobicContact CG-CB 3.69Å; F437-A450 HydrophobicContact CE1-CB 3.94Å; F437-A450 HydrophobicContact CZ-CB 4.32Å; F437-I451 HydrophobicContact CE2-CD1 3.98Å; F437-I451 HydrophobicContact CE2-CG1 4.29Å; F437-I451 HydrophobicContact CZ-CD1 3.92Å; F437-I451 HydrophobicContact CZ-CG1 4.2Å
438G98.3Very high97.8Very high11 Ų1144.4 Ų44.411%0.11323%0.232CC..EExtended strand (participates in β ladder)trans71-162.3-16800000112.9M435 P436M435-G438 PolarHBondContact O-N 2.83Å; M435-G438 VanDerWaalsContact O-N 3.09Å; P436-G438 VanDerWaalsContact C-N 3.33Å
439S97.8Very high97.9Very high13 Ų1339.9 Ų39.99%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-162.9166.4-179.8-77.30000111.4T442S439-T442 PolarHBondContact N-O 3.41Å; S439-T442 CarbonylContact O-C 3.6Å; S439-T442 PolarHBondContact O-N 3.43Å; S439-T442 PolarHBondContact O-OG1 3.1Å
440G95.5Very high97.9Very high35 Ų3534.1 Ų34.136%0.36119%0.185SC..THydrogen-bonded Turntrans61.9-141.4-178.600000111.9T442 I443G440-T442 PolarHBondContact O-N 2.97Å; G440-I443 WeakPolarHBondContact O-CB 3.4Å; G440-I443 WeakPolarHBondContact O-CG2 3.45Å
441A94.4Very high98Very high16 Ų1634.9 Ų34.913%0.13219%0.189CC..THydrogen-bonded Turntrans-65.2-21.2175.800000113.7W97 I443W97-A441 HydrophobicContact CD2-CB 3.96Å; W97-A441 HydrophobicContact CG-CB 4.09Å; W97-A441 HydrophobicContact CZ2-CB 4.23Å; A441-I443 VanDerWaalsContact C-N 3.32Å; A441-I443 PolarHBondContact O-N 2.94Å
442T95.9Very high98Very high18 Ų1827.4 Ų27.411%0.1116%0.156CC..EExtended strand (participates in β ladder)trans-97.541.2-178.942.40000111.4W97 N362 R364 S439 G440W97-T442 HydrophobicContact CB-CG2 3.64Å; W97-T442 HydrophobicContact CG-CG2 4.49Å; N362-T442 WeakPolarHBondContact ND2-CB 3.48Å; N362-T442 PolarHBondContact ND2-OG1 3.41Å; N362-T442 VanDerWaalsContact ND2-OG1 3.09Å; N362-T442 PolarHBondContact OD1-OG1 3.06Å; R364-T442 VanDerWaalsContact NE-CG2 3.31Å; R364-T442 PolarHBondContact NH2-OG1 2.7Å; S439-T442 PolarHBondContact N-O 3.41Å; S439-T442 CarbonylContact O-C 3.6Å; S439-T442 PolarHBondContact O-N 3.43Å; S439-T442 PolarHBondContact O-OG1 3.1Å; G440-T442 PolarHBondContact O-N 2.97Å
443I98.1Very high98.1Very high58 Ų5825.8 Ų25.830%0.29715%0.15SC..EExtended strand (participates in β ladder)trans-104.8143.9-179.5-162.8171.6000110.5F437 G440 A441 P445F437-I443 CarbonylContact O-C 3.55Å; F437-I443 WeakPolarHBondContact O-CA 3.44Å; F437-I443 WeakPolarHBondContact O-CG1 3.14Å; G440-I443 WeakPolarHBondContact O-CB 3.4Å; G440-I443 WeakPolarHBondContact O-CG2 3.45Å; A441-I443 VanDerWaalsContact C-N 3.32Å; A441-I443 PolarHBondContact O-N 2.94Å; I443-P445 WeakPolarHBondContact O-CD 3.35Å
444C98.6Very high98.1Very high48 Ų4824 Ų2432%0.32414%0.143SC..  trans-60.8123.3174178.40000110.4F437 G446 R447F437-C444 HydrophobicContact CB-CB 4Å; F437-C444 HydrophobicContact CD1-CB 3.99Å; F437-C444 HydrophobicContact CG-CB 4.47Å; F437-C444 PolarHBondContact O-N 3.04Å; C444-G446 VanDerWaalsContact C-N 3.34Å; C444-G446 PolarHBondContact SG-N 3.2Å; C444-G446 VanDerWaalsContact SG-N 3.42Å; C444-R447 HydrophobicContact CB-CB 4.33Å; C444-R447 PolarHBondContact O-NH1 2.93Å
445P98.2Very high98.1Very high30 Ų3022.2 Ų22.220%0.19514%0.136CC..THydrogen-bonded Turntrans-71.9-29.217728.5-33.7000112.3F129 L133 I443 R447F129-P445 HydrophobicContact CB-CB 3.71Å; F129-P445 HydrophobicContact CB-CG 3.68Å; F129-P445 HydrophobicContact CD2-CG 4.14Å; F129-P445 HydrophobicContact CG-CG 4.04Å; L133-P445 HydrophobicContact CD1-CB 4.25Å; L133-P445 HydrophobicContact CD1-CG 4.23Å; I443-P445 WeakPolarHBondContact O-CD 3.35Å; P445-R447 VanDerWaalsContact C-N 3.31Å; P445-R447 PolarHBondContact O-N 2.88Å
446G98.4Very high98.1Very high13 Ų1322.2 Ų22.213%0.13414%0.136CC..THydrogen-bonded Turntrans-83.76.3179.100000115.2C444 V448 F449 A450C444-G446 VanDerWaalsContact C-N 3.34Å; C444-G446 PolarHBondContact SG-N 3.2Å; C444-G446 VanDerWaalsContact SG-N 3.42Å; G446-V448 VanDerWaalsContact C-N 3.26Å; G446-V448 PolarHBondContact O-N 2.89Å; G446-V448 VanDerWaalsContact O-N 3.16Å; G446-F449 WeakPolarHBondContact O-CB 3Å; G446-F449 PolarHBondContact O-N 2.77Å; G446-F449 VanDerWaalsContact O-N 3.15Å; G446-A450 WeakPolarHBondContact O-CB 3.35Å; G446-A450 PolarHBondContact O-N 3.36Å
447R98.5Very high98.1Very high73 Ų7321.6 Ų21.628%0.27513%0.132SC..Hα-helixtrans-55.9-34.9-172.869.2-171.1175.3-75.5-5.7114.5F437 C444 P445 I451F437-R447 HydrophobicContact CB-CB 4.08Å; F437-R447 HydrophobicContact CD1-CB 3.65Å; F437-R447 HydrophobicContact CD2-CB 4.18Å; F437-R447 HydrophobicContact CE1-CB 4.09Å; F437-R447 HydrophobicContact CG-CB 3.69Å; C444-R447 HydrophobicContact CB-CB 4.33Å; C444-R447 PolarHBondContact O-NH1 2.93Å; P445-R447 VanDerWaalsContact C-N 3.31Å; P445-R447 PolarHBondContact O-N 2.88Å; R447-I451 WeakPolarHBondContact O-CG1 3.43Å; R447-I451 PolarHBondContact O-N 3.1Å
448V98.3Very high98.1Very high47 Ų4719.5 Ų19.529%0.28512%0.123SC..Hα-helixtrans-73.5-46.2-179.5-170.50000109.6L138 G446 A450 I451 H452L138-V448 HydrophobicContact CD2-CB 3.81Å; L138-V448 HydrophobicContact CD2-CG1 3.54Å; G446-V448 VanDerWaalsContact C-N 3.26Å; G446-V448 PolarHBondContact O-N 2.89Å; G446-V448 VanDerWaalsContact O-N 3.16Å; V448-A450 VanDerWaalsContact C-N 3.32Å; V448-A450 PolarHBondContact O-N 2.85Å; V448-I451 PolarHBondContact O-N 2.8Å; V448-H452 PolarHBondContact O-CD2 2.92Å; V448-H452 PolarHBondContact O-N 3.29Å
449F98.8Very high98.1Very high8 Ų819.1 Ų19.14%0.03512%0.118CC..Hα-helixtrans-57.5-43.9172.5-178.4-113.2000112.1L138 L141 M145 T186 I187 G446 I451 H452 E453L138-F449 HydrophobicContact CD1-CB 3.57Å; L138-F449 HydrophobicContact CD1-CD2 4.17Å; L138-F449 HydrophobicContact CD1-CG 4.33Å; L141-F449 HydrophobicContact CB-CD2 4.25Å; L141-F449 HydrophobicContact CB-CE2 4.22Å; L141-F449 HydrophobicContact CD2-CB 4.47Å; L141-F449 HydrophobicContact CD2-CD1 4.01Å; L141-F449 HydrophobicContact CD2-CD2 3.68Å; L141-F449 HydrophobicContact CD2-CE1 4.17Å; L141-F449 HydrophobicContact CD2-CE2 3.86Å; L141-F449 HydrophobicContact CD2-CG 3.76Å; L141-F449 HydrophobicContact CD2-CZ 4.1Å; L141-F449 HydrophobicContact CG-CD2 3.85Å; L141-F449 HydrophobicContact CG-CE2 3.6Å; L141-F449 HydrophobicContact CG-CG 4.41Å; L141-F449 HydrophobicContact CG-CZ 3.96Å; M145-F449 HydrophobicContact CB-CE2 3.87Å; M145-F449 HydrophobicContact CB-CZ 4.01Å; M145-F449 HydrophobicContact CG-CE2 4.28Å; M145-F449 HydrophobicContact CG-CZ 4.09Å; M145-F449 HydrophobicContact SD-CZ 4.46Å; T186-F449 HydrophobicContact CG2-CE2 4.46Å; T186-F449 HydrophobicContact CG2-CZ 4.02Å; I187-F449 HydrophobicContact CD1-CE1 4.5Å; G446-F449 WeakPolarHBondContact O-CB 3Å; G446-F449 PolarHBondContact O-N 2.77Å; G446-F449 VanDerWaalsContact O-N 3.15Å; F449-I451 VanDerWaalsContact C-N 3.34Å; F449-I451 PolarHBondContact O-N 3.24Å; F449-H452 WeakPolarHBondContact O-CB 3.39Å; F449-H452 PolarHBondContact O-N 2.92Å; F449-H452 VanDerWaalsContact O-N 3.08Å; F449-E453 HydrophobicContact CZ-CB 4.43Å; F449-E453 PolarHBondContact O-N 2.92Å
450A98.8Very high98.2Very high10 Ų1018.5 Ų18.58%0.08311%0.114CC..Hα-helixtrans-59-42.3178.100000112.5F437 G446 V448 E453 I454F437-A450 HydrophobicContact CE1-CB 3.94Å; F437-A450 HydrophobicContact CZ-CB 4.32Å; G446-A450 WeakPolarHBondContact O-CB 3.35Å; G446-A450 PolarHBondContact O-N 3.36Å; V448-A450 VanDerWaalsContact C-N 3.32Å; V448-A450 PolarHBondContact O-N 2.85Å; A450-E453 WeakPolarHBondContact CA-OE1 3.4Å; A450-E453 WeakPolarHBondContact O-CG 3.45Å; A450-I454 VanDerWaalsContact O-CD1 3.31Å; A450-I454 WeakPolarHBondContact O-CD1 3.45Å; A450-I454 WeakPolarHBondContact O-CG1 3.43Å; A450-I454 PolarHBondContact O-N 2.76Å
451I98.8Very high98.3Very high23 Ų2316.8 Ų16.812%0.11810%0.097CC..Hα-helixtrans-68.4-39.8174.6-64.8-61.5000111.1I350 F437 R447 V448 F449 K455I350-I451 HydrophobicContact CG2-CD1 3.67Å; F437-I451 HydrophobicContact CE2-CD1 3.98Å; F437-I451 HydrophobicContact CE2-CG1 4.29Å; F437-I451 HydrophobicContact CZ-CD1 3.92Å; F437-I451 HydrophobicContact CZ-CG1 4.2Å; R447-I451 WeakPolarHBondContact O-CG1 3.43Å; R447-I451 PolarHBondContact O-N 3.1Å; V448-I451 PolarHBondContact O-N 2.8Å; F449-I451 VanDerWaalsContact C-N 3.34Å; F449-I451 PolarHBondContact O-N 3.24Å; I451-K455 HydrophobicContact CG2-CD 3.98Å; I451-K455 HydrophobicContact CG2-CG 4.31Å; I451-K455 WeakPolarHBondContact O-CB 3.14Å; I451-K455 WeakPolarHBondContact O-CG 3.46Å; I451-K455 PolarHBondContact O-N 2.76Å
452H98.8Very high98.5Very high0 Ų016.6 Ų16.60%09%0.093CC..Hα-helixtrans-60.5-51.3176.6-68.1-179.2000111.7T142 N341 V448 F449 I454 K455 Q456T142-H452 HydrophobicContact CG2-CB 4.04Å; T142-H452 WeakPolarHBondContact CG2-ND1 3.22Å; T142-H452 PolarHBondContact OG1-ND1 3.26Å; N341-H452 PolarHBondContact OD1-NE2 3.22Å; V448-H452 PolarHBondContact O-CD2 2.92Å; V448-H452 PolarHBondContact O-N 3.29Å; F449-H452 WeakPolarHBondContact O-CB 3.39Å; F449-H452 PolarHBondContact O-N 2.92Å; F449-H452 VanDerWaalsContact O-N 3.08Å; H452-I454 VanDerWaalsContact C-N 3.32Å; H452-I454 PolarHBondContact O-N 2.76Å; H452-K455 PolarHBondContact O-N 2.96Å; H452-Q456 WeakPolarHBondContact O-CB 3.36Å; H452-Q456 WeakPolarHBondContact O-CG 3.41Å; H452-Q456 PolarHBondContact O-N 2.77Å
453E98.8Very high98.6Very high4 Ų416.2 Ų16.22%0.0199%0.092CC..Hα-helixtrans-64.6-35.5-176.668.4-177.2149.500112.7M145 M179 T290 F449 A450 F457M145-E453 HydrophobicContact CE-CB 3.8Å; M145-E453 WeakPolarHBondContact CE-OE2 3.28Å; M145-E453 HydrophobicContact CG-CB 3.76Å; M179-E453 HydrophobicContact CE-CB 4.1Å; M179-E453 HydrophobicContact CE-CG 3.92Å; T290-E453 HydrophobicContact CG2-CG 3.93Å; T290-E453 VanDerWaalsContact CG2-OE1 3.23Å; T290-E453 WeakPolarHBondContact CG2-OE1 3.32Å; T290-E453 PolarHBondContact OG1-OE1 2.84Å; F449-E453 HydrophobicContact CZ-CB 4.43Å; F449-E453 PolarHBondContact O-N 2.92Å; A450-E453 WeakPolarHBondContact CA-OE1 3.4Å; A450-E453 WeakPolarHBondContact O-CG 3.45Å; E453-F457 WeakPolarHBondContact O-CB 3.41Å; E453-F457 PolarHBondContact O-N 3.13Å
454I98.9Very high98.5Very high1 Ų113.5 Ų13.51%0.0058%0.078CC..Hα-helixtrans-68.1-45.7173.7-61.4164.5000110.3A293 I350 A450 H452 Q456 F457 L458A293-I454 HydrophobicContact CB-CD1 3.69Å; I350-I454 HydrophobicContact CD1-CB 4.09Å; I350-I454 HydrophobicContact CD1-CG2 3.62Å; I350-I454 HydrophobicContact CG1-CG2 3.73Å; I350-I454 HydrophobicContact CG2-CD1 4.35Å; A450-I454 VanDerWaalsContact O-CD1 3.31Å; A450-I454 WeakPolarHBondContact O-CD1 3.45Å; A450-I454 WeakPolarHBondContact O-CG1 3.43Å; A450-I454 PolarHBondContact O-N 2.76Å; H452-I454 VanDerWaalsContact C-N 3.32Å; H452-I454 PolarHBondContact O-N 2.76Å; I454-Q456 VanDerWaalsContact C-N 3.35Å; I454-Q456 PolarHBondContact O-N 3.31Å; I454-F457 PolarHBondContact O-N 3.13Å; I454-L458 HydrophobicContact CG2-CD1 4.06Å; I454-L458 HydrophobicContact CG2-CG 4.36Å; I454-L458 VanDerWaalsContact O-CG 3.31Å; I454-L458 WeakPolarHBondContact O-CG 3.29Å; I454-L458 PolarHBondContact O-N 2.93Å
455K98.9Very high98.4Very high0 Ų011.4 Ų11.40%06%0.063CC..Hα-helixtrans-59.4-44.9176.1-78.2-179171.5178.40111.4L340 L343 L346 E347 I350 I451 H452 L458 V459L340-K455 HydrophobicContact CD2-CB 4.44Å; L340-K455 WeakPolarHBondContact O-CD 3.42Å; L340-K455 WeakPolarHBondContact O-CE 3.44Å; L340-K455 PolarHBondContact O-NZ 2.84Å; L343-K455 HydrophobicContact CB-CD 4.26Å; L343-K455 HydrophobicContact CD1-CD 4.27Å; L346-K455 HydrophobicContact CB-CG 4.33Å; E347-K455 IonicContact OE2-NZ 3.58Å; E347-K455 PolarHBondContact OE2-NZ 3.22Å; E347-K455 VanDerWaalsContact OE2-NZ 3.17Å; I350-K455 HydrophobicContact CD1-CG 3.66Å; I451-K455 HydrophobicContact CG2-CD 3.98Å; I451-K455 HydrophobicContact CG2-CG 4.31Å; I451-K455 WeakPolarHBondContact O-CB 3.14Å; I451-K455 WeakPolarHBondContact O-CG 3.46Å; I451-K455 PolarHBondContact O-N 2.76Å; H452-K455 PolarHBondContact O-N 2.96Å; K455-L458 PolarHBondContact O-N 2.76Å; K455-V459 WeakPolarHBondContact O-CB 3.33Å; K455-V459 VanDerWaalsContact O-CG2 3.23Å; K455-V459 WeakPolarHBondContact O-CG2 3.22Å; K455-V459 PolarHBondContact O-N 2.91Å
456Q98.9Very high98.3Very high2 Ų213.5 Ų13.51%0.0097%0.07CC..Hα-helixtrans-60.3-47177.1-69.7172.8-1900111.5T142 M145 M146 L149 L340 H452 I454 L458 V459 L460T142-Q456 PolarHBondContact O-NE2 3.16Å; M145-Q456 VanDerWaalsContact CG-OE1 3.3Å; M146-Q456 HydrophobicContact CE-CB 3.95Å; M146-Q456 HydrophobicContact CE-CG 3.62Å; M146-Q456 HydrophobicContact SD-CB 4.3Å; M146-Q456 HydrophobicContact SD-CG 4.34Å; L149-Q456 HydrophobicContact CD1-CB 3.66Å; L340-Q456 HydrophobicContact CD1-CG 4.12Å; L340-Q456 HydrophobicContact CD2-CG 4.02Å; H452-Q456 WeakPolarHBondContact O-CB 3.36Å; H452-Q456 WeakPolarHBondContact O-CG 3.41Å; H452-Q456 PolarHBondContact O-N 2.77Å; I454-Q456 VanDerWaalsContact C-N 3.35Å; I454-Q456 PolarHBondContact O-N 3.31Å; Q456-L458 PolarHBondContact O-N 2.81Å; Q456-V459 PolarHBondContact O-N 3.11Å; Q456-L460 VanDerWaalsContact O-CG 3.28Å; Q456-L460 WeakPolarHBondContact O-CG 3.46Å; Q456-L460 PolarHBondContact O-N 3.25Å
457F98.9Very high98.3Very high0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-57.4-48.8174.8174.8-89.8000111.6L149 M153 F174 V178 M179 T294 L298 E453 I454 V459 L460 M461L149-F457 HydrophobicContact CD1-CB 4.47Å; L149-F457 HydrophobicContact CD2-CD2 4.31Å; M153-F457 HydrophobicContact CE-CD2 4.41Å; M153-F457 HydrophobicContact CE-CE2 4.41Å; M153-F457 HydrophobicContact SD-CD2 4.15Å; M153-F457 HydrophobicContact SD-CE2 4.49Å; F174-F457 HydrophobicContact CD1-CE2 4.49Å; F174-F457 HydrophobicContact CD1-CZ 4.16Å; F174-F457 AromaticContact CE1-CE2 3.92Å; F174-F457 HydrophobicContact CE1-CE2 3.92Å; F174-F457 AromaticContact CE1-CZ 3.79Å; F174-F457 HydrophobicContact CE1-CZ 3.79Å; V178-F457 HydrophobicContact CB-CE2 4.12Å; V178-F457 HydrophobicContact CG1-CD2 3.91Å; V178-F457 HydrophobicContact CG1-CE2 3.82Å; M179-F457 HydrophobicContact CG-CD2 4.42Å; M179-F457 HydrophobicContact SD-CB 3.8Å; M179-F457 HydrophobicContact SD-CD2 3.56Å; M179-F457 VanDerWaalsContact SD-CD2 3.56Å; M179-F457 HydrophobicContact SD-CE2 4.35Å; M179-F457 HydrophobicContact SD-CG 3.81Å; T294-F457 HydrophobicContact CG2-CB 4.38Å; T294-F457 HydrophobicContact CG2-CD1 3.23Å; T294-F457 HydrophobicContact CG2-CD2 4.19Å; T294-F457 HydrophobicContact CG2-CE1 3.34Å; T294-F457 HydrophobicContact CG2-CE2 4.29Å; T294-F457 HydrophobicContact CG2-CG 3.68Å; T294-F457 HydrophobicContact CG2-CZ 3.89Å; L298-F457 HydrophobicContact CB-CE1 4.29Å; L298-F457 HydrophobicContact CD1-CE1 4.4Å; L298-F457 HydrophobicContact CD2-CE1 3.96Å; L298-F457 HydrophobicContact CD2-CZ 4.12Å; L298-F457 HydrophobicContact CG-CE1 4.44Å; E453-F457 WeakPolarHBondContact O-CB 3.41Å; E453-F457 PolarHBondContact O-N 3.13Å; I454-F457 PolarHBondContact O-N 3.13Å; F457-V459 PolarHBondContact O-N 3.42Å; F457-L460 PolarHBondContact O-N 3.24Å; F457-M461 HydrophobicContact CD1-CG 3.87Å; F457-M461 HydrophobicContact CD2-CG 4.47Å; F457-M461 HydrophobicContact CE1-CG 3.47Å; F457-M461 VanDerWaalsContact CE1-CG 3.47Å; F457-M461 HydrophobicContact CE1-SD 4.35Å; F457-M461 HydrophobicContact CE2-CG 4.12Å; F457-M461 HydrophobicContact CE2-SD 4.23Å; F457-M461 HydrophobicContact CG-CG 4.37Å; F457-M461 HydrophobicContact CZ-CE 4.48Å; F457-M461 HydrophobicContact CZ-CG 3.62Å; F457-M461 HydrophobicContact CZ-SD 3.89Å; F457-M461 WeakPolarHBondContact O-CB 3.36Å; F457-M461 VanDerWaalsContact O-CG 3.27Å; F457-M461 WeakPolarHBondContact O-CG 3.21Å; F457-M461 PolarHBondContact O-N 2.8Å
458L98.9Very high98.1Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-64.6-40.6-179.9-65.1175.3000112.6L298 M301 L346 I350 I454 K455 Q456 L460 M461 L462L298-L458 HydrophobicContact CB-CD2 4.18Å; L298-L458 HydrophobicContact CD1-CD2 4.2Å; M301-L458 HydrophobicContact CE-CD2 3.84Å; M301-L458 HydrophobicContact SD-CD2 4.38Å; L346-L458 HydrophobicContact CD1-CB 4.42Å; L346-L458 HydrophobicContact CD2-CB 4.36Å; L346-L458 HydrophobicContact CD2-CD1 4.23Å; I350-L458 HydrophobicContact CD1-CD1 4.22Å; I350-L458 HydrophobicContact CG1-CD1 4.06Å; I454-L458 HydrophobicContact CG2-CD1 4.06Å; I454-L458 HydrophobicContact CG2-CG 4.36Å; I454-L458 VanDerWaalsContact O-CG 3.31Å; I454-L458 WeakPolarHBondContact O-CG 3.29Å; I454-L458 PolarHBondContact O-N 2.93Å; K455-L458 PolarHBondContact O-N 2.76Å; Q456-L458 PolarHBondContact O-N 2.81Å; L458-L460 VanDerWaalsContact C-N 3.33Å; L458-L460 PolarHBondContact O-N 3.26Å; L458-M461 PolarHBondContact O-N 3.18Å; L458-L462 WeakPolarHBondContact O-CG 3.15Å; L458-L462 PolarHBondContact O-N 2.82Å
459V98.8Very high98Very high2 Ų213.7 Ų13.71%0.0127%0.069CC..Hα-helixtrans-57-48174164.20000110.6V315 L335 L343 L346 K455 Q456 F457 L462 S463V315-V459 HydrophobicContact CG1-CB 4.32Å; V315-V459 HydrophobicContact CG1-CG1 3.99Å; V315-V459 HydrophobicContact CG1-CG2 4.2Å; V315-V459 HydrophobicContact CG2-CG2 3.87Å; L335-V459 HydrophobicContact CD1-CG1 4.27Å; L343-V459 HydrophobicContact CD1-CG2 4.41Å; L346-V459 HydrophobicContact CD1-CG2 3.99Å; K455-V459 WeakPolarHBondContact O-CB 3.33Å; K455-V459 VanDerWaalsContact O-CG2 3.23Å; K455-V459 WeakPolarHBondContact O-CG2 3.22Å; K455-V459 PolarHBondContact O-N 2.91Å; Q456-V459 PolarHBondContact O-N 3.11Å; F457-V459 PolarHBondContact O-N 3.42Å; V459-L462 PolarHBondContact O-N 2.86Å; V459-S463 WeakPolarHBondContact O-CB 3.31Å; V459-S463 PolarHBondContact O-N 2.86Å; V459-S463 PolarHBondContact O-OG 3.22Å
460L98.7Very high97.7Very high0 Ų015.3 Ų15.30%08%0.079CC..Hα-helixtrans-68.2-38.5178.8-65.7174.6000111.7M146 L149 Q150 M153 I333 Q456 F457 L458 L462 S463 Y464M146-L460 HydrophobicContact SD-CD1 4.02Å; M146-L460 HydrophobicContact SD-CD2 4.27Å; M146-L460 HydrophobicContact SD-CG 4.27Å; L149-L460 HydrophobicContact CB-CD1 3.53Å; L149-L460 HydrophobicContact CD1-CD1 4.35Å; Q150-L460 HydrophobicContact CG-CD1 3.79Å; Q150-L460 HydrophobicContact CG-CD2 3.64Å; Q150-L460 HydrophobicContact CG-CG 4.38Å; M153-L460 HydrophobicContact CE-CB 3.67Å; M153-L460 HydrophobicContact SD-CB 3.91Å; M153-L460 HydrophobicContact SD-CD1 3.9Å; I333-L460 HydrophobicContact CD1-CD2 4.07Å; Q456-L460 VanDerWaalsContact O-CG 3.28Å; Q456-L460 WeakPolarHBondContact O-CG 3.46Å; Q456-L460 PolarHBondContact O-N 3.25Å; F457-L460 PolarHBondContact O-N 3.24Å; L458-L460 VanDerWaalsContact C-N 3.33Å; L458-L460 PolarHBondContact O-N 3.26Å; L460-L462 PolarHBondContact O-N 3.47Å; L460-S463 PolarHBondContact O-N 2.76Å; L460-Y464 HydrophobicContact CB-CD2 4.49Å; L460-Y464 HydrophobicContact CD2-CE1 4.23Å; L460-Y464 HydrophobicContact CD2-CE2 3.94Å; L460-Y464 VanDerWaalsContact O-CB 3.29Å; L460-Y464 WeakPolarHBondContact O-CB 3.27Å; L460-Y464 PolarHBondContact O-N 3.27Å
461M98.6Very high96.9Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-59.1-47.5175.2-75.5-57.2-75.300111.9M153 F174 L298 F457 L458 S463 F465 L467 F497M153-M461 HydrophobicContact CE-CG 3.9Å; M153-M461 HydrophobicContact CE-SD 3.46Å; M153-M461 WeakPolarHBondContact CE-SD 3.43Å; F174-M461 HydrophobicContact CD1-CE 4.45Å; F174-M461 HydrophobicContact CE1-CE 3.68Å; F174-M461 HydrophobicContact CE1-SD 3.53Å; F174-M461 VanDerWaalsContact CE1-SD 3.53Å; F174-M461 HydrophobicContact CZ-CE 4.07Å; F174-M461 HydrophobicContact CZ-SD 3.79Å; L298-M461 HydrophobicContact CD1-CB 4.31Å; L298-M461 HydrophobicContact CD1-CE 4.11Å; L298-M461 HydrophobicContact CD1-CG 4.22Å; L298-M461 HydrophobicContact CD2-CE 3.92Å; F457-M461 HydrophobicContact CD1-CG 3.87Å; F457-M461 HydrophobicContact CD2-CG 4.47Å; F457-M461 HydrophobicContact CE1-CG 3.47Å; F457-M461 VanDerWaalsContact CE1-CG 3.47Å; F457-M461 HydrophobicContact CE1-SD 4.35Å; F457-M461 HydrophobicContact CE2-CG 4.12Å; F457-M461 HydrophobicContact CE2-SD 4.23Å; F457-M461 HydrophobicContact CG-CG 4.37Å; F457-M461 HydrophobicContact CZ-CE 4.48Å; F457-M461 HydrophobicContact CZ-CG 3.62Å; F457-M461 HydrophobicContact CZ-SD 3.89Å; F457-M461 WeakPolarHBondContact O-CB 3.36Å; F457-M461 VanDerWaalsContact O-CG 3.27Å; F457-M461 WeakPolarHBondContact O-CG 3.21Å; F457-M461 PolarHBondContact O-N 2.8Å; L458-M461 PolarHBondContact O-N 3.18Å; M461-S463 VanDerWaalsContact C-N 3.34Å; M461-S463 PolarHBondContact O-N 3.12Å; M461-F465 HydrophobicContact CE-CD2 4.39Å; M461-F465 PolarHBondContact O-N 2.87Å; M461-F465 VanDerWaalsContact O-N 3.16Å; M461-F465 HydrophobicContact SD-CD2 3.82Å; M461-F465 HydrophobicContact SD-CE2 4Å; M461-L467 HydrophobicContact CB-CD1 4.19Å; M461-L467 HydrophobicContact CE-CD1 4.18Å; M461-L467 HydrophobicContact CE-CD2 3.51Å; M461-F497 HydrophobicContact CE-CE2 4Å; M461-F497 HydrophobicContact CE-CZ 4.37Å
462L98.5Very high95.8Very high11 Ų1126.2 Ų26.26%0.05815%0.146CC..Hα-helixtrans-67.9-34.3179.1-70169.4000112.8M301 M308 A311 V315 L458 V459 L460 K502M301-L462 HydrophobicContact CE-CD1 4.21Å; M301-L462 HydrophobicContact CE-CD2 3.82Å; M301-L462 HydrophobicContact CE-CG 3.92Å; M301-L462 HydrophobicContact SD-CD1 3.94Å; M301-L462 HydrophobicContact SD-CD2 4.22Å; M301-L462 HydrophobicContact SD-CG 4.3Å; M308-L462 HydrophobicContact CE-CD2 4.49Å; M308-L462 HydrophobicContact SD-CD2 3.54Å; M308-L462 VanDerWaalsContact SD-CD2 3.54Å; A311-L462 HydrophobicContact CB-CD1 3.98Å; V315-L462 HydrophobicContact CB-CD1 4.3Å; V315-L462 HydrophobicContact CG2-CD1 3.78Å; L458-L462 WeakPolarHBondContact O-CG 3.15Å; L458-L462 PolarHBondContact O-N 2.82Å; V459-L462 PolarHBondContact O-N 2.86Å; L460-L462 PolarHBondContact O-N 3.47Å; L462-K502 PolarHBondContact O-NZ 2.84Å
463S97.3Very high94.9Very high11 Ų1128.8 Ų28.88%0.07716%0.159CC..Hα-helixtrans-79.9-41.9-176.6-63.40000112.8L319 V459 L460 M461L319-S463 WeakPolarHBondContact CD1-OG 3.45Å; V459-S463 WeakPolarHBondContact O-CB 3.31Å; V459-S463 PolarHBondContact O-N 2.86Å; V459-S463 PolarHBondContact O-OG 3.22Å; L460-S463 PolarHBondContact O-N 2.76Å; M461-S463 VanDerWaalsContact C-N 3.34Å; M461-S463 PolarHBondContact O-N 3.12Å
464Y96.4Very high93.8Very high0 Ų031.4 Ų31.40%018%0.181CC..Hα-helixtrans-92.5-22.9-173.1-67.1-6000113.6Q150 M153 R154 V326 L328 I333 L460 F501 K502Q150-Y464 WeakPolarHBondContact CG-OH 3.3Å; Q150-Y464 PolarHBondContact OE1-OH 2.65Å; Q150-Y464 VanDerWaalsContact OE1-OH 3.07Å; M153-Y464 HydrophobicContact CB-CD2 4.24Å; M153-Y464 HydrophobicContact CB-CE2 4.41Å; R154-Y464 HydrophobicContact CG-CE2 3.88Å; R154-Y464 PolarHBondContact NE-OH 2.96Å; V326-Y464 HydrophobicContact CG1-CD1 3.79Å; V326-Y464 HydrophobicContact CG1-CE1 3.86Å; L328-Y464 HydrophobicContact CD2-CD1 4.07Å; L328-Y464 HydrophobicContact CD2-CD2 4.38Å; L328-Y464 HydrophobicContact CD2-CE1 4.49Å; L328-Y464 HydrophobicContact CD2-CG 4.02Å; I333-Y464 HydrophobicContact CD1-CE1 4.22Å; L460-Y464 HydrophobicContact CB-CD2 4.49Å; L460-Y464 HydrophobicContact CD2-CE1 4.23Å; L460-Y464 HydrophobicContact CD2-CE2 3.94Å; L460-Y464 VanDerWaalsContact O-CB 3.29Å; L460-Y464 WeakPolarHBondContact O-CB 3.27Å; L460-Y464 PolarHBondContact O-N 3.27Å; Y464-F501 CarbonylContact O-C 3.54Å; Y464-F501 WeakPolarHBondContact O-CA 3.42Å; Y464-K502 PolarHBondContact O-N 2.83Å
465F96.8Very high93.4Very high4 Ų439 Ų392%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-129.2141.4-168.7-56.7-78.8000114M153 M461 L467 Y499 K500 F501 K502M153-F465 HydrophobicContact CE-CE2 3.87Å; M461-F465 HydrophobicContact CE-CD2 4.39Å; M461-F465 PolarHBondContact O-N 2.87Å; M461-F465 VanDerWaalsContact O-N 3.16Å; M461-F465 HydrophobicContact SD-CD2 3.82Å; M461-F465 HydrophobicContact SD-CE2 4Å; F465-L467 HydrophobicContact CB-CD2 3.65Å; F465-L467 HydrophobicContact CB-CG 4.02Å; F465-L467 HydrophobicContact CG-CD2 4.49Å; F465-Y499 AromaticContact CD1-CD2 3.67Å; F465-Y499 HydrophobicContact CD1-CD2 3.67Å; F465-Y499 HydrophobicContact CD1-CG 4.37Å; F465-Y499 AromaticContact CE1-CD2 3.66Å; F465-Y499 HydrophobicContact CE1-CD2 3.66Å; F465-Y499 HydrophobicContact CE1-CE2 4.14Å; F465-K500 CarbonylContact C-O 3.52Å; F465-K500 VanDerWaalsContact CA-O 3.23Å; F465-K500 WeakPolarHBondContact CA-O 3.35Å; F465-F501 AromaticContact CD1-CD1 3.96Å; F465-F501 HydrophobicContact CD1-CD1 3.96Å; F465-F501 HydrophobicContact CD1-CE1 4.16Å; F465-F501 HydrophobicContact CD1-CG 4.23Å; F465-F501 AromaticContact CE1-CD1 3.42Å; F465-F501 HydrophobicContact CE1-CD1 3.42Å; F465-F501 VanDerWaalsContact CE1-CD1 3.42Å; F465-F501 HydrophobicContact CE1-CD2 4.01Å; F465-F501 AromaticContact CE1-CE1 3.19Å; F465-F501 HydrophobicContact CE1-CE1 3.19Å; F465-F501 AromaticContact CE1-CE2 3.81Å; F465-F501 HydrophobicContact CE1-CE2 3.81Å; F465-F501 AromaticContact CE1-CG 3.84Å; F465-F501 HydrophobicContact CE1-CG 3.84Å; F465-F501 AromaticContact CE1-CZ 3.41Å; F465-F501 HydrophobicContact CE1-CZ 3.41Å; F465-F501 VanDerWaalsContact CE1-CZ 3.41Å; F465-F501 HydrophobicContact CE2-CE1 4.35Å; F465-F501 AromaticContact CZ-CD1 3.94Å; F465-F501 HydrophobicContact CZ-CD1 3.94Å; F465-F501 AromaticContact CZ-CE1 3.31Å; F465-F501 HydrophobicContact CZ-CE1 3.31Å; F465-F501 HydrophobicContact CZ-CE2 4.43Å; F465-F501 AromaticContact CZ-CZ 3.61Å; F465-F501 HydrophobicContact CZ-CZ 3.61Å; F465-K502 WeakPolarHBondContact O-CE 3.43Å; F465-K502 PolarHBondContact O-NZ 3.46Å
466E96.5Very high93.2Very high75 Ų7541 Ų4135%0.3523%0.228SC..EExtended strand (participates in β ladder)trans-75.7137.4149.8-70.8177.7-163.300108.1W166 Y499 K500 K502W166-E466 HydrophobicContact CH2-CB 3.74Å; W166-E466 HydrophobicContact CZ2-CB 4.25Å; W166-E466 HydrophobicContact CZ3-CB 4.35Å; E466-Y499 VanDerWaalsContact O-CA 3.24Å; E466-Y499 WeakPolarHBondContact O-CA 3.34Å; E466-K500 VanDerWaalsContact CD-CE 3.48Å; E466-K500 PolarHBondContact N-O 3.49Å; E466-K500 PolarHBondContact O-N 3.13Å; E466-K500 IonicContact OE1-NZ 3.51Å; E466-K500 IonicContact OE2-NZ 2.68Å; E466-K500 WeakPolarHBondContact OE2-CE 3.37Å; E466-K500 PolarHBondContact OE2-NZ 3.04Å; E466-K502 HydrophobicContact CG-CD 4.33Å; E466-K502 HydrophobicContact CG-CG 3.89Å
467L97.1Very high93Very high21 Ų2141.1 Ų41.111%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-134.2127.7-168.3-62171.8000109.9L298 I302 M308 M461 F465 F497L298-L467 HydrophobicContact CD1-CD1 4.41Å; I302-L467 HydrophobicContact CD1-CB 4.1Å; I302-L467 HydrophobicContact CD1-CD1 4.26Å; I302-L467 HydrophobicContact CG1-CB 4.34Å; I302-L467 HydrophobicContact CG1-CD1 4.44Å; M308-L467 HydrophobicContact CE-CB 4.01Å; M308-L467 HydrophobicContact CE-CD1 4.21Å; M461-L467 HydrophobicContact CB-CD1 4.19Å; M461-L467 HydrophobicContact CE-CD1 4.18Å; M461-L467 HydrophobicContact CE-CD2 3.51Å; F465-L467 HydrophobicContact CB-CD2 3.65Å; F465-L467 HydrophobicContact CB-CG 4.02Å; F465-L467 HydrophobicContact CG-CD2 4.49Å; L467-F497 HydrophobicContact CD2-CD2 4.31Å; L467-F497 HydrophobicContact CD2-CE2 3.87Å
468E95.4Very high93Very high85 Ų8544.2 Ų44.240%0.39725%0.249SC..EExtended strand (participates in β ladder)trans-141.9143.8176.7-72.1179.3-151.900110.3W166 F497 K498W166-E468 HydrophobicContact CH2-CB 4.26Å; W166-E468 HydrophobicContact CH2-CG 3.8Å; W166-E468 WeakPolarHBondContact CH2-OE1 3.25Å; W166-E468 WeakPolarHBondContact CZ2-OE1 3.31Å; W166-E468 HydrophobicContact CZ3-CB 4.32Å; W166-E468 HydrophobicContact CZ3-CG 4.35Å; E468-F497 WeakPolarHBondContact O-CA 3.46Å; E468-F497 WeakPolarHBondContact O-CB 3.45Å; E468-K498 WeakPolarHBondContact OE2-CE 3.45Å; E468-K498 PolarHBondContact OE2-NZ 2.96Å; E468-K498 IonicContact OE2-NZ 2.66Å; E468-K498 PolarHBondContact O-N 3.02Å; E468-K498 PolarHBondContact N-O 3.38Å; E468-K498 HydrophobicContact CB-CG 3.82Å; E468-K498 HydrophobicContact CB-CD 4.29Å
469L94.9Very high92.9Very high31 Ų3146.3 Ų46.316%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-74.5147164.8-68.2175.1000109.4M171 F299 I302 R303 I495 F497M171-L469 HydrophobicContact CE-CD2 3.53Å; F299-L469 HydrophobicContact CD2-CD2 4.32Å; F299-L469 HydrophobicContact CE2-CD1 4.15Å; F299-L469 HydrophobicContact CE2-CD2 4.44Å; I302-L469 HydrophobicContact CG2-CD2 4.42Å; I302-L469 HydrophobicContact CG2-CG 3.88Å; R303-L469 HydrophobicContact CB-CD1 4.11Å; L469-I495 HydrophobicContact CD2-CD1 4.16Å; L469-F497 HydrophobicContact CD2-CB 4.16Å
470V92Very high92.8Very high41 Ų4147.9 Ų47.925%0.24827%0.268CS..PPolyproline II helixtrans-67.8147.4169.7178.30000109.2T168 G472 Q473 E496T168-V470 HydrophobicContact CG2-CG2 3.88Å; V470-G472 PolarHBondContact O-N 2.87Å; V470-Q473 HydrophobicContact CB-CG 3.98Å; V470-Q473 VanDerWaalsContact O-CB 3.27Å; V470-Q473 WeakPolarHBondContact O-CB 3.45Å; V470-Q473 PolarHBondContact O-N 3.3Å; V470-E496 PolarHBondContact N-O 3.03Å; V470-E496 HydrophobicContact CG2-CB 3.74Å; V470-E496 HydrophobicContact CB-CB 4.15Å
471E82.8Confident92.7Very high194 Ų19450 Ų5091%0.90728%0.278SS*.THydrogen-bonded Turntrans-53.8135-179.8-168.6173.7-175.800111.2Q473E471-Q473 PolarHBondContact O-N 3.18Å; E471-Q473 VanDerWaalsContact C-N 3.26Å
472G76.4Confident92.4Very high68 Ų6853.4 Ų53.470%0.70130%0.302SS*.THydrogen-bonded Turntrans80.9-12.9-175.100000115.8V470 A474V470-G472 PolarHBondContact O-N 2.87Å; G472-A474 VanDerWaalsContact C-N 3.26Å; G472-A474 PolarHBondContact O-N 3.35Å
473Q78.7Confident92.3Very high55 Ų5553.9 Ų53.926%0.25730%0.303SS..THydrogen-bonded Turntrans-84.48.5177.1-60.3-68-29.900113.7V470 E471 K475 E496V470-Q473 HydrophobicContact CB-CG 3.98Å; V470-Q473 VanDerWaalsContact O-CB 3.27Å; V470-Q473 WeakPolarHBondContact O-CB 3.45Å; V470-Q473 PolarHBondContact O-N 3.3Å; E471-Q473 PolarHBondContact O-N 3.18Å; E471-Q473 VanDerWaalsContact C-N 3.26Å; Q473-K475 PolarHBondContact O-N 3.22Å; Q473-E496 HydrophobicContact CG-CB 4.39Å
474A76.6Confident92.2Very high59 Ų5954.3 Ų54.349%0.48831%0.307SS..THydrogen-bonded Turntrans-71.5-13176.300000113.7R303 G472R303-A474 PolarHBondContact NE-O 3.5Å; G472-A474 VanDerWaalsContact C-N 3.26Å; G472-A474 PolarHBondContact O-N 3.35Å
475K90.1Very high92.2Very high159 Ų15955.2 Ų55.269%0.69132%0.316SS*.SBendtrans-74.7126.2176.8-173.8177.7178.3-178.90110Q473 P477Q473-K475 PolarHBondContact O-N 3.22Å; K475-P477 WeakPolarHBondContact O-CD 3.4Å
476C94.2Very high92.2Very high44 Ų4456.5 Ų56.530%0.29732%0.323SS..PPolyproline II helixtrans-60.1122.2175.8-167.60000110.8F299F299-C476 HydrophobicContact CE1-CB 4.18Å; F299-C476 HydrophobicContact CZ-CB 4.42Å
477P96.2Very high92.3Very high3 Ų353.1 Ų53.12%0.01931%0.308CS..PPolyproline II helixtrans-65.2147.6172.625.7-30.7000109.9F295 W296 K475 P491 Y493 I495F295-P477 HydrophobicContact CZ-CG 4.32Å; W296-P477 HydrophobicContact CH2-CG 3.87Å; W296-P477 HydrophobicContact CZ3-CG 4.24Å; K475-P477 WeakPolarHBondContact O-CD 3.4Å; P477-P491 HydrophobicContact CB-CB 3.99Å; P477-P491 HydrophobicContact CG-CB 3.7Å; P477-Y493 HydrophobicContact CB-CE2 3.8Å; P477-Y493 HydrophobicContact CB-CD2 4.18Å; P477-I495 HydrophobicContact CB-CG2 4.41Å; P477-I495 HydrophobicContact CG-CG2 3.95Å
478P97.3Very high92.4Very high66 Ų6652.7 Ų52.743%0.42931%0.306SS..PPolyproline II helixtrans-62.3157.2171.1-20.232.8000111.9L492 Y493P478-L492 HydrophobicContact CB-CB 4.38Å; P478-L492 HydrophobicContact CB-CD2 4.43Å; P478-L492 WeakPolarHBondContact O-CB 3.49Å; P478-L492 PolarHBondContact O-N 2.64Å; P478-Y493 HydrophobicContact CG-CE1 4.39Å
479L98.1Very high92.5Very high43 Ų4348.7 Ų48.723%0.22529%0.287CS..BIsolated β-bridgetrans-77137.9172.3-55.2179000110.6W296 L356 Q481 L489W296-L479 HydrophobicContact CH2-CD2 3.84Å; W296-L479 HydrophobicContact CZ2-CD2 3.27Å; L356-L479 WeakPolarHBondContact O-CD1 3.27Å; L479-Q481 PolarHBondContact O-N 3.39Å; L479-Q481 VanDerWaalsContact O-N 3.09Å; L479-L489 HydrophobicContact CD2-CB 4.36Å; L479-L489 HydrophobicContact CG-CB 4.47Å; L479-L489 HydrophobicContact CG-CD1 4.4Å; L479-L489 HydrophobicContact CB-CG 4.48Å; L479-L489 HydrophobicContact CD1-CB 4.47Å; L479-L489 HydrophobicContact CD1-CD1 3.92Å; L479-L489 HydrophobicContact CB-CB 3.92Å; L479-L489 HydrophobicContact CB-CD1 3.71Å
480D97Very high92.7Very high36 Ų3647.7 Ų47.719%0.19328%0.282CS..  trans-75.195.1171.4177.911.2000111.1S482 R483 L489 P490 L492D480-S482 PolarHBondContact O-N 3.12Å; D480-S482 WeakPolarHBondContact OD1-CB 3.41Å; D480-S482 PolarHBondContact OD1-N 3.36Å; D480-S482 PolarHBondContact OD1-OG 3.49Å; D480-S482 PolarHBondContact OD2-OG 3.37Å; D480-S482 VanDerWaalsContact OD2-OG 3.05Å; D480-R483 PolarHBondContact O-N 3.38Å; D480-L489 WeakPolarHBondContact O-CD2 3.38Å; D480-P490 HydrophobicContact CB-CG 4.03Å; D480-P490 PolarHBondContact N-O 3.07Å; D480-L492 HydrophobicContact CB-CD1 4.37Å
481Q95.1Very high93Very high44 Ų4446.3 Ų46.321%0.20627%0.274CS..G310 helixtrans-68.6-10.7-179.4-66.6-69.6-17.300113.9L479 R483 A484L479-Q481 PolarHBondContact O-N 3.39Å; L479-Q481 VanDerWaalsContact O-N 3.09Å; Q481-R483 PolarHBondContact O-N 3.44Å; Q481-A484 WeakPolarHBondContact O-CB 3.46Å; Q481-A484 PolarHBondContact O-N 2.77Å; Q481-A484 VanDerWaalsContact O-N 3.09Å
482S92.9Very high93.7Very high72 Ų7242 Ų4250%0.50326%0.257SS..G310 helixtrans-62-17.4175.876.70000112.7P217 D480P217-S482 VanDerWaalsContact CB-O 3.29Å; P217-S482 WeakPolarHBondContact CB-O 3.49Å; P217-S482 WeakPolarHBondContact CG-O 3.27Å; D480-S482 PolarHBondContact O-N 3.12Å; D480-S482 WeakPolarHBondContact OD1-CB 3.41Å; D480-S482 PolarHBondContact OD1-N 3.36Å; D480-S482 PolarHBondContact OD1-OG 3.49Å; D480-S482 PolarHBondContact OD2-OG 3.37Å; D480-S482 VanDerWaalsContact OD2-OG 3.05Å
483R96.1Very high94.6Very high21 Ų2143.9 Ų43.98%0.07924%0.244CC..G310 helixtrans-102.310.8179.5-53.5-166.268.185.7-0.7114.3D213 P217 D480 Q481 G485 L486 L489D213-R483 PolarHBondContact O-NH1 2.85Å; D213-R483 IonicContact OD1-CZ 3.63Å; D213-R483 IonicContact OD1-NH1 3.17Å; D213-R483 IonicContact OD1-NH2 3.64Å; D213-R483 PolarHBondContact OD1-NH2 3.08Å; D213-R483 IonicContact OD2-CZ 3.97Å; D213-R483 IonicContact OD2-NH1 3.97Å; D213-R483 IonicContact OD2-NH2 2.71Å; D213-R483 PolarHBondContact OD2-NH2 3.46Å; P217-R483 HydrophobicContact CG-CG 4.16Å; D480-R483 PolarHBondContact O-N 3.38Å; Q481-R483 PolarHBondContact O-N 3.44Å; R483-G485 PolarHBondContact O-N 2.82Å; R483-L486 PolarHBondContact O-N 2.88Å; R483-L486 WeakPolarHBondContact O-CG 3.44Å; R483-L486 VanDerWaalsContact O-CB 3.27Å; R483-L486 HydrophobicContact CB-CD1 4.29Å; R483-L486 WeakPolarHBondContact O-CB 3.31Å; R483-L489 HydrophobicContact CB-CD2 4.05Å
484A95.8Very high95.5Very high20 Ų2044.1 Ų44.117%0.16525%0.247CC..THydrogen-bonded Turntrans-56.6137.9179.100000112.4P52 Q481 L486P52-A484 HydrophobicContact CB-CB 4.04Å; P52-A484 HydrophobicContact CG-CB 3.36Å; Q481-A484 WeakPolarHBondContact O-CB 3.46Å; Q481-A484 PolarHBondContact O-N 2.77Å; Q481-A484 VanDerWaalsContact O-N 3.09Å; A484-L486 VanDerWaalsContact C-N 3.32Å
485G96Very high96.5Very high18 Ų1841.4 Ų41.419%0.18622%0.224CC..BIsolated β-bridgetrans89.9-18-172.700000114.7A359 L361 R483A359-G485 WeakPolarHBondContact O-CA 3.44Å; A359-G485 PolarHBondContact O-N 3.37Å; L361-G485 PolarHBondContact N-O 3.46Å; R483-G485 PolarHBondContact O-N 2.82Å
486L97.4Very high96.8Very high32 Ų3238.4 Ų38.417%0.16821%0.213CC..SBendtrans-91.1-7.2-174.1-55.4179.8000114.6F216 P217 V220 R483 A484F216-L486 HydrophobicContact CD1-CD1 4Å; F216-L486 HydrophobicContact CD1-CD2 4.09Å; F216-L486 HydrophobicContact CE1-CD2 4.21Å; P217-L486 HydrophobicContact CB-CD1 4.16Å; P217-L486 HydrophobicContact CG-CD1 3.69Å; V220-L486 HydrophobicContact CB-CD2 4.43Å; V220-L486 HydrophobicContact CG1-CD2 4.47Å; V220-L486 HydrophobicContact CG2-CD2 3.92Å; R483-L486 PolarHBondContact O-N 2.88Å; R483-L486 WeakPolarHBondContact O-CG 3.44Å; R483-L486 VanDerWaalsContact O-CB 3.27Å; R483-L486 HydrophobicContact CB-CD1 4.29Å; R483-L486 WeakPolarHBondContact O-CB 3.31Å; A484-L486 VanDerWaalsContact C-N 3.32Å
487G98.3Very high97Very high4 Ų436.3 Ų36.34%0.04120%0.198CC..SBendtrans128.7-120.3177.500000112.5N289 A359 S360N289-G487 VanDerWaalsContact OD1-CA 3.28Å; N289-G487 WeakPolarHBondContact OD1-CA 3.43Å; A359-G487 CarbonylContact C-O 3.58Å; A359-G487 WeakPolarHBondContact CA-O 3.38Å; A359-G487 PolarHBondContact N-O 3.44Å; S360-G487 WeakPolarHBondContact OG-CA 3.32Å
488I98.9Very high97Very high12 Ų1238.9 Ų38.96%0.06221%0.209CC..BIsolated β-bridgetrans-84.5122.2-176.9-51.9-50.6000109.9N289 P292 L354 S357 P436N289-I488 HydrophobicContact CB-CG1 4.23Å; N289-I488 PolarHBondContact OD1-N 3.43Å; P292-I488 HydrophobicContact CB-CB 4.41Å; P292-I488 HydrophobicContact CB-CG2 3.96Å; P292-I488 HydrophobicContact CG-CB 4.03Å; P292-I488 HydrophobicContact CG-CG2 4.12Å; L354-I488 HydrophobicContact CD2-CD1 3.69Å; L354-I488 HydrophobicContact CD2-CG1 3.95Å; L354-I488 HydrophobicContact CD2-CG2 4.25Å; S357-I488 WeakPolarHBondContact OG-CG2 3.17Å; P436-I488 HydrophobicContact CB-CD1 4.03Å
489L98.8Very high96.9Very high0 Ų036.9 Ų36.90%019%0.193CC..PPolyproline II helixtrans-74128.5179.3-59.4-174.8000110.1W296 S357 A359 L479 D480 R483W296-L489 PolarHBondContact NE1-O 2.94Å; S357-L489 PolarHBondContact O-N 2.99Å; A359-L489 HydrophobicContact CB-CD1 3.64Å; A359-L489 HydrophobicContact CB-CD2 3.61Å; A359-L489 HydrophobicContact CB-CG 3.49Å; A359-L489 VanDerWaalsContact CB-CG 3.49Å; L479-L489 HydrophobicContact CD2-CB 4.36Å; L479-L489 HydrophobicContact CG-CB 4.47Å; L479-L489 HydrophobicContact CG-CD1 4.4Å; L479-L489 HydrophobicContact CB-CG 4.48Å; L479-L489 HydrophobicContact CD1-CB 4.47Å; L479-L489 HydrophobicContact CD1-CD1 3.92Å; L479-L489 HydrophobicContact CB-CB 3.92Å; L479-L489 HydrophobicContact CB-CD1 3.71Å; D480-L489 WeakPolarHBondContact O-CD2 3.38Å; R483-L489 HydrophobicContact CB-CD2 4.05Å
490P98.6Very high96.7Very high10 Ų1037.1 Ų37.17%0.06519%0.192CC..PPolyproline II helixtrans-71.5166.8170.931-32.5000110.8Y172 P292 D480Y172-P490 HydrophobicContact CE2-CB 3.88Å; P292-P490 HydrophobicContact CB-CB 4.21Å; D480-P490 HydrophobicContact CB-CG 4.03Å; D480-P490 PolarHBondContact N-O 3.07Å
491P98.3Very high96.6Very high12 Ų1236.9 Ų36.98%0.07819%0.19CC..BIsolated β-bridgetrans-66146.1168.833.8-39000110Y172 F295 W296 P477 Y493Y172-P491 HydrophobicContact CD2-CG 3.88Å; Y172-P491 HydrophobicContact CE2-CG 4.5Å; Y172-P491 HydrophobicContact CG-CG 4.13Å; F295-P491 HydrophobicContact CD1-CB 4.48Å; F295-P491 HydrophobicContact CD1-CG 3.88Å; F295-P491 HydrophobicContact CE1-CB 3.63Å; F295-P491 HydrophobicContact CE1-CG 3.41Å; F295-P491 VanDerWaalsContact CE1-CG 3.41Å; F295-P491 HydrophobicContact CE2-CG 4.19Å; F295-P491 HydrophobicContact CG-CG 4.48Å; F295-P491 HydrophobicContact CZ-CB 3.83Å; F295-P491 HydrophobicContact CZ-CG 3.58Å; W296-P491 HydrophobicContact CH2-CB 4.12Å; W296-P491 HydrophobicContact CZ2-CB 3.91Å; P477-P491 HydrophobicContact CB-CB 3.99Å; P477-P491 HydrophobicContact CG-CB 3.7Å; P491-Y493 WeakPolarHBondContact CB-O 3.06Å; P491-Y493 PolarHBondContact O-N 2.86Å
492L96.8Very high96.2Very high103 Ų10337.4 Ų37.454%0.53919%0.191SC..SBendtrans-63.7-32.6178.1-177.462.9000112.5P478 D480P478-L492 HydrophobicContact CB-CB 4.38Å; P478-L492 HydrophobicContact CB-CD2 4.43Å; P478-L492 WeakPolarHBondContact O-CB 3.49Å; P478-L492 PolarHBondContact O-N 2.64Å; D480-L492 HydrophobicContact CB-CD1 4.37Å
493Y95.9Very high95Very high108 Ų10840 Ų4042%0.42420%0.195SC..SBendtrans-141.1150.7173.251.6-97.8000109.2P477 P478 P491P477-Y493 HydrophobicContact CB-CE2 3.8Å; P477-Y493 HydrophobicContact CB-CD2 4.18Å; P478-Y493 HydrophobicContact CG-CE1 4.39Å; P491-Y493 WeakPolarHBondContact CB-O 3.06Å; P491-Y493 PolarHBondContact O-N 2.86Å
494D97.4Very high93.3Very high61 Ų6144 Ų4433%0.32622%0.218SC..  trans-70.2158.5177.9-155-7.7000111G170 M171 Y172 S173G170-D494 VanDerWaalsContact CA-OD2 3.27Å; G170-D494 WeakPolarHBondContact CA-OD2 3.5Å; M171-D494 PolarHBondContact N-OD1 3.35Å; M171-D494 VanDerWaalsContact N-OD1 3.15Å; Y172-D494 VanDerWaalsContact CB-CG 3.48Å; Y172-D494 WeakPolarHBondContact CB-OD1 3.38Å; Y172-D494 PolarHBondContact N-OD1 2.77Å; Y172-D494 PolarHBondContact N-OD2 3.23Å; S173-D494 PolarHBondContact N-OD2 3.08Å
495I96.4Very high93.1Very high1 Ų145.3 Ų45.31%0.00522%0.221CC..  trans-119.2143.4175.456167000109.1G170 M171 F295 F299 L469 P477G170-I495 CarbonylContact C-O 3.57Å; G170-I495 WeakPolarHBondContact CA-O 3.42Å; M171-I495 HydrophobicContact CB-CD1 4.39Å; M171-I495 HydrophobicContact CB-CG1 3.97Å; M171-I495 HydrophobicContact CE-CD1 3.99Å; M171-I495 PolarHBondContact N-O 3.39Å; M171-I495 HydrophobicContact SD-CD1 4.06Å; F295-I495 HydrophobicContact CE2-CD1 4.02Å; F295-I495 HydrophobicContact CE2-CG1 3.83Å; F295-I495 HydrophobicContact CZ-CD1 4.08Å; F295-I495 HydrophobicContact CZ-CG1 4.08Å; F299-I495 HydrophobicContact CB-CD1 4.34Å; F299-I495 HydrophobicContact CD2-CD1 2.98Å; F299-I495 HydrophobicContact CD2-CG1 4.47Å; F299-I495 HydrophobicContact CE2-CD1 3.23Å; F299-I495 HydrophobicContact CG-CD1 3.79Å; F299-I495 HydrophobicContact CZ-CD1 4.21Å; L469-I495 HydrophobicContact CD2-CD1 4.16Å; P477-I495 HydrophobicContact CB-CG2 4.41Å; P477-I495 HydrophobicContact CG-CG2 3.95Å
496E97.3Very high93Very high97 Ų9746.7 Ų46.745%0.45322%0.222SC..EExtended strand (participates in β ladder)trans-84.8135.9177.2-64-174.4132.800111T168 V470 Q473T168-E496 HydrophobicContact CG2-CB 4.23Å; V470-E496 PolarHBondContact N-O 3.03Å; V470-E496 HydrophobicContact CG2-CB 3.74Å; V470-E496 HydrophobicContact CB-CB 4.15Å; Q473-E496 HydrophobicContact CG-CB 4.39Å
497F97.9Very high92.7Very high0 Ų047.5 Ų47.50%023%0.225CC..EExtended strand (participates in β ladder)trans-132.3159.7168.587.4-58.9000108.9T168 E169 M171 F174 I302 M461 L467 E468 L469 Y499T168-F497 WeakPolarHBondContact CA-O 3.27Å; E169-F497 HydrophobicContact CB-CE1 4.42Å; E169-F497 PolarHBondContact N-O 3.43Å; E169-F497 WeakPolarHBondContact O-CD1 3.43Å; E169-F497 PolarHBondContact O-N 2.69Å; E169-F497 VanDerWaalsContact O-O 3.11Å; M171-F497 HydrophobicContact CB-CB 4.49Å; M171-F497 HydrophobicContact CB-CD1 3.66Å; M171-F497 HydrophobicContact CB-CE1 4.17Å; M171-F497 HydrophobicContact CB-CG 4.2Å; M171-F497 HydrophobicContact CE-CB 3.61Å; M171-F497 HydrophobicContact CE-CD1 4.45Å; M171-F497 HydrophobicContact CE-CD2 4.22Å; M171-F497 HydrophobicContact CE-CG 3.85Å; M171-F497 HydrophobicContact CG-CD1 4.11Å; M171-F497 HydrophobicContact CG-CE1 4.38Å; M171-F497 HydrophobicContact CG-CG 4.38Å; F174-F497 HydrophobicContact CB-CE1 3.76Å; F174-F497 HydrophobicContact CB-CZ 4.08Å; F174-F497 HydrophobicContact CD1-CE1 4.43Å; F174-F497 AromaticContact CD1-CZ 3.91Å; F174-F497 HydrophobicContact CD1-CZ 3.91Å; F174-F497 HydrophobicContact CD2-CE1 4.35Å; F174-F497 HydrophobicContact CD2-CZ 4.01Å; F174-F497 HydrophobicContact CE1-CZ 4.37Å; F174-F497 HydrophobicContact CE2-CZ 4.45Å; F174-F497 AromaticContact CG-CE1 3.94Å; F174-F497 HydrophobicContact CG-CE1 3.94Å; F174-F497 AromaticContact CG-CZ 3.73Å; F174-F497 HydrophobicContact CG-CZ 3.73Å; I302-F497 HydrophobicContact CD1-CD2 4.36Å; M461-F497 HydrophobicContact CE-CE2 4Å; M461-F497 HydrophobicContact CE-CZ 4.37Å; L467-F497 HydrophobicContact CD2-CD2 4.31Å; L467-F497 HydrophobicContact CD2-CE2 3.87Å; E468-F497 WeakPolarHBondContact O-CA 3.46Å; E468-F497 WeakPolarHBondContact O-CB 3.45Å; L469-F497 HydrophobicContact CD2-CB 4.16Å; F497-Y499 HydrophobicContact CE2-CG 4.19Å; F497-Y499 HydrophobicContact CZ-CG 4.18Å; F497-Y499 HydrophobicContact CZ-CE1 3.99Å; F497-Y499 AromaticContact CZ-CE1 3.99Å; F497-Y499 HydrophobicContact CZ-CD1 3.38Å; F497-Y499 AromaticContact CZ-CD1 3.38Å; F497-Y499 HydrophobicContact CE2-CD1 3.74Å; F497-Y499 AromaticContact CE2-CD1 3.74Å; F497-Y499 HydrophobicContact CE1-CE1 4.27Å; F497-Y499 HydrophobicContact CE1-CD1 3.93Å; F497-Y499 AromaticContact CE1-CD1 3.93Å
498K96.1Very high92.4Very high57 Ų5750.1 Ų50.125%0.24824%0.236CC..EExtended strand (participates in β ladder)trans-116.9142.6173.859.9-179-179.4175.80110.2W166 V167 E468W166-K498 HydrophobicContact CD2-CD 4.13Å; W166-K498 HydrophobicContact CD2-CG 4.33Å; W166-K498 HydrophobicContact CE3-CB 3.73Å; W166-K498 HydrophobicContact CE3-CD 3.87Å; W166-K498 HydrophobicContact CE3-CG 3.56Å; W166-K498 HydrophobicContact CZ3-CB 4.27Å; W166-K498 HydrophobicContact CZ3-CD 4.27Å; W166-K498 HydrophobicContact CZ3-CG 3.76Å; W166-K498 WeakPolarHBondContact CZ3-O 3.37Å; V167-K498 CarbonylContact O-C 3.54Å; V167-K498 WeakPolarHBondContact O-CA 3.48Å; E468-K498 WeakPolarHBondContact OE2-CE 3.45Å; E468-K498 PolarHBondContact OE2-NZ 2.96Å; E468-K498 IonicContact OE2-NZ 2.66Å; E468-K498 PolarHBondContact O-N 3.02Å; E468-K498 PolarHBondContact N-O 3.38Å; E468-K498 HydrophobicContact CB-CG 3.82Å; E468-K498 HydrophobicContact CB-CD 4.29Å
499Y96.4Very high92Very high23 Ų2352.4 Ų52.49%0.0925%0.247CC..EExtended strand (participates in β ladder)trans-135.4147.9177.662.8-87.5000110.8V167 E169 F174 F465 E466 F497V167-Y499 HydrophobicContact CB-CD2 4.42Å; V167-Y499 HydrophobicContact CB-CE1 4.06Å; V167-Y499 HydrophobicContact CB-CE2 3.96Å; V167-Y499 HydrophobicContact CG1-CE1 3.96Å; V167-Y499 HydrophobicContact CG1-CE2 4.34Å; V167-Y499 WeakPolarHBondContact CG1-OH 3.28Å; V167-Y499 HydrophobicContact CG2-CE2 4.38Å; V167-Y499 PolarHBondContact N-O 2.91Å; V167-Y499 PolarHBondContact O-N 2.9Å; E169-Y499 HydrophobicContact CB-CE1 4.04Å; E169-Y499 PolarHBondContact OE2-OH 3.36Å; F174-Y499 HydrophobicContact CD2-CD1 4.43Å; F174-Y499 AromaticContact CD2-CE1 3.8Å; F174-Y499 HydrophobicContact CD2-CE1 3.8Å; F174-Y499 HydrophobicContact CE2-CD1 4.4Å; F174-Y499 AromaticContact CE2-CE1 3.93Å; F174-Y499 HydrophobicContact CE2-CE1 3.93Å; F174-Y499 HydrophobicContact CE2-CE2 4.18Å; F174-Y499 AromaticContact CE2-CZ 3.81Å; F465-Y499 AromaticContact CD1-CD2 3.67Å; F465-Y499 HydrophobicContact CD1-CD2 3.67Å; F465-Y499 HydrophobicContact CD1-CG 4.37Å; F465-Y499 AromaticContact CE1-CD2 3.66Å; F465-Y499 HydrophobicContact CE1-CD2 3.66Å; F465-Y499 HydrophobicContact CE1-CE2 4.14Å; E466-Y499 VanDerWaalsContact O-CA 3.24Å; E466-Y499 WeakPolarHBondContact O-CA 3.34Å; F497-Y499 HydrophobicContact CE2-CG 4.19Å; F497-Y499 HydrophobicContact CZ-CG 4.18Å; F497-Y499 HydrophobicContact CZ-CE1 3.99Å; F497-Y499 AromaticContact CZ-CE1 3.99Å; F497-Y499 HydrophobicContact CZ-CD1 3.38Å; F497-Y499 AromaticContact CZ-CD1 3.38Å; F497-Y499 HydrophobicContact CE2-CD1 3.74Å; F497-Y499 AromaticContact CE2-CD1 3.74Å; F497-Y499 HydrophobicContact CE1-CE1 4.27Å; F497-Y499 HydrophobicContact CE1-CD1 3.93Å; F497-Y499 AromaticContact CE1-CD1 3.93Å
500K94.3Very high91.6Very high48 Ų4855.9 Ų55.921%0.20926%0.264CS..EExtended strand (participates in β ladder)trans-140.5134.9178.1-178.2-171.267.4-177.50109.1A164 W166 F465 E466 K502A164-K500 VanDerWaalsContact O-CD 3.31Å; A164-K500 WeakPolarHBondContact O-CD 3.48Å; W166-K500 HydrophobicContact CD2-CB 3.82Å; W166-K500 HydrophobicContact CE3-CB 3.83Å; W166-K500 HydrophobicContact CG-CB 4.26Å; W166-K500 HydrophobicContact CZ3-CB 4.23Å; F465-K500 CarbonylContact C-O 3.52Å; F465-K500 VanDerWaalsContact CA-O 3.23Å; F465-K500 WeakPolarHBondContact CA-O 3.35Å; E466-K500 VanDerWaalsContact CD-CE 3.48Å; E466-K500 PolarHBondContact N-O 3.49Å; E466-K500 PolarHBondContact O-N 3.13Å; E466-K500 IonicContact OE1-NZ 3.51Å; E466-K500 IonicContact OE2-NZ 2.68Å; E466-K500 WeakPolarHBondContact OE2-CE 3.37Å; E466-K500 PolarHBondContact OE2-NZ 3.04Å; K500-K502 PolarHBondContact O-N 3.21Å
501F93.1Very high91.1Very high32 Ų3259.2 Ų59.214%0.1428%0.278CS..EExtended strand (participates in β ladder)trans-62.4137178.1-80.1-74.4000111.7M153 P155 T163 L328 Y464 F465 L504M153-F501 VanDerWaalsContact O-CE1 3.24Å; M153-F501 WeakPolarHBondContact O-CE1 3.21Å; M153-F501 VanDerWaalsContact O-CZ 3.23Å; M153-F501 WeakPolarHBondContact O-CZ 3.46Å; P155-F501 HydrophobicContact CB-CE2 3.99Å; P155-F501 HydrophobicContact CB-CZ 4.06Å; P155-F501 HydrophobicContact CG-CE1 4.4Å; P155-F501 HydrophobicContact CG-CE2 4.45Å; P155-F501 HydrophobicContact CG-CZ 4.28Å; T163-F501 HydrophobicContact CG2-CD2 4.23Å; T163-F501 HydrophobicContact CG2-CE2 4.42Å; L328-F501 HydrophobicContact CD1-CB 4.01Å; L328-F501 HydrophobicContact CD1-CD1 3.87Å; L328-F501 HydrophobicContact CD1-CG 4.17Å; L328-F501 HydrophobicContact CD2-CD1 3.75Å; L328-F501 HydrophobicContact CD2-CE1 4.07Å; Y464-F501 CarbonylContact O-C 3.54Å; Y464-F501 WeakPolarHBondContact O-CA 3.42Å; F465-F501 AromaticContact CD1-CD1 3.96Å; F465-F501 HydrophobicContact CD1-CD1 3.96Å; F465-F501 HydrophobicContact CD1-CE1 4.16Å; F465-F501 HydrophobicContact CD1-CG 4.23Å; F465-F501 AromaticContact CE1-CD1 3.42Å; F465-F501 HydrophobicContact CE1-CD1 3.42Å; F465-F501 VanDerWaalsContact CE1-CD1 3.42Å; F465-F501 HydrophobicContact CE1-CD2 4.01Å; F465-F501 AromaticContact CE1-CE1 3.19Å; F465-F501 HydrophobicContact CE1-CE1 3.19Å; F465-F501 AromaticContact CE1-CE2 3.81Å; F465-F501 HydrophobicContact CE1-CE2 3.81Å; F465-F501 AromaticContact CE1-CG 3.84Å; F465-F501 HydrophobicContact CE1-CG 3.84Å; F465-F501 AromaticContact CE1-CZ 3.41Å; F465-F501 HydrophobicContact CE1-CZ 3.41Å; F465-F501 VanDerWaalsContact CE1-CZ 3.41Å; F465-F501 HydrophobicContact CE2-CE1 4.35Å; F465-F501 AromaticContact CZ-CD1 3.94Å; F465-F501 HydrophobicContact CZ-CD1 3.94Å; F465-F501 AromaticContact CZ-CE1 3.31Å; F465-F501 HydrophobicContact CZ-CE1 3.31Å; F465-F501 HydrophobicContact CZ-CE2 4.43Å; F465-F501 AromaticContact CZ-CZ 3.61Å; F465-F501 HydrophobicContact CZ-CZ 3.61Å; F501-L504 HydrophobicContact CB-CD1 4.27Å; F501-L504 HydrophobicContact CB-CD2 4.23Å; F501-L504 HydrophobicContact CB-CG 4.1Å
502K86.7Confident90.5Very high55 Ų5562.8 Ų62.824%0.23929%0.293CS..SBendtrans-94.4158.8167-66.2167.5170159.50109L328 L462 Y464 F465 E466 K500 L504L328-K502 VanDerWaalsContact CD1-O 3.26Å; L328-K502 WeakPolarHBondContact CD1-O 3.36Å; L462-K502 PolarHBondContact O-NZ 2.84Å; Y464-K502 PolarHBondContact O-N 2.83Å; F465-K502 WeakPolarHBondContact O-CE 3.43Å; F465-K502 PolarHBondContact O-NZ 3.46Å; E466-K502 HydrophobicContact CG-CD 4.33Å; E466-K502 HydrophobicContact CG-CG 3.89Å; K500-K502 PolarHBondContact O-N 3.21Å; K502-L504 VanDerWaalsContact C-N 3.32Å; K502-L504 PolarHBondContact O-N 3.04Å
503H69.5Low90Very high126 Ų12659.5 Ų59.558%0.58327%0.273SS*.  trans57.740.2169.5-48.5-65.8000114.4
504L58.7Low89.4Confident106 Ų10655.1 Ų55.156%0.55526%0.259SS*.  trans-66.20168.5-74.6166.8000112T163 A164 L328 F501 K502T163-L504 WeakPolarHBondContact OG1-CD2 3.45Å; A164-L504 HydrophobicContact CB-CD1 4.04Å; L328-L504 HydrophobicContact CD1-CD2 3.59Å; L328-L504 HydrophobicContact CD1-CG 4Å; F501-L504 HydrophobicContact CB-CD1 4.27Å; F501-L504 HydrophobicContact CB-CD2 4.23Å; F501-L504 HydrophobicContact CB-CG 4.1Å; K502-L504 VanDerWaalsContact C-N 3.32Å; K502-L504 PolarHBondContact O-N 3.04Å

Retrieved 504 of 504 residues in 301.8 ms (Link to these results)

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