A0A087Y0M4_POEFO Loading...

ADP-ribosylation factor GTPase-activating protein 3

GTPase-activating protein (GAP) for ADP ribosylation factor 1 (ARF1). Hydrolysis of ARF1-bound GTP may lead to dissociation of coatomer from Golgi-derived membranes to allow fusion with target membranes.

AlphaFold DB , UniProt , Accession A0A087Y0M4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 532 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
1M61.4Low87.8Confident210 Ų21087.7 Ų87.7100%1.03447%0.465SS*.  0148.20-62.8174.9-173.700107.4T130M1-T130 HydrophobicContact CB-CG2 4.16Å
2A81.1Confident88.2Confident69 Ų6980.5 Ų80.557%0.5743%0.426SS*.PPolyproline II helixtrans-66.8143.7171.900000110.5W73A2-W73 PolarHBondContact O-NE1 2.87Å; A2-W73 VanDerWaalsContact O-NE1 3.11Å
3E86.7Confident88.7Confident155 Ų15574.7 Ų74.772%0.72440%0.395SS*.PPolyproline II helixtrans-75.9149.9170-62.4-167.1145.600109.8
4P91Very high89Confident12 Ų1281.6 Ų81.68%0.07842%0.42CS..PPolyproline II helixtrans-66.2140.7178.427.9-34000110.6D8 I9 W71 W73 L76P4-D8 HydrophobicContact CB-CB 4.29Å; P4-I9 HydrophobicContact CB-CG1 4.09Å; P4-I9 HydrophobicContact CG-CD1 4.23Å; P4-I9 HydrophobicContact CG-CG1 4.1Å; P4-W71 WeakPolarHBondContact CD-O 3.22Å; P4-W71 WeakPolarHBondContact CG-O 3.1Å; P4-W73 HydrophobicContact CB-CD2 3.95Å; P4-W73 HydrophobicContact CB-CE3 4.39Å; P4-W73 HydrophobicContact CB-CG 4.46Å; P4-W73 HydrophobicContact CB-CH2 4.16Å; P4-W73 HydrophobicContact CB-CZ2 3.69Å; P4-W73 HydrophobicContact CB-CZ3 4.48Å; P4-W73 HydrophobicContact CG-CD2 4.46Å; P4-L76 HydrophobicContact CB-CD1 3.68Å; P4-L76 HydrophobicContact CG-CD1 3.67Å
5S91.9Very high89.3Confident49 Ų4982.8 Ų82.834%0.34342%0.417SS..PPolyproline II helixtrans-71.6161.3176.7790000111.5Q7 D8 I9S5-Q7 PolarHBondContact O-N 3.43Å; S5-Q7 VanDerWaalsContact O-N 3.16Å; S5-Q7 PolarHBondContact OG-N 3Å; S5-D8 WeakPolarHBondContact CA-OD2 3.44Å; S5-D8 WeakPolarHBondContact CB-OD2 3.21Å; S5-D8 PolarHBondContact N-OD2 2.72Å; S5-D8 WeakPolarHBondContact O-CB 3.28Å; S5-D8 PolarHBondContact O-N 3.38Å; S5-D8 VanDerWaalsContact O-N 3.1Å; S5-D8 PolarHBondContact OG-N 2.78Å; S5-D8 VanDerWaalsContact OG-N 3.16Å; S5-D8 PolarHBondContact OG-OD2 3.33Å; S5-I9 WeakPolarHBondContact O-CG1 3.07Å; S5-I9 PolarHBondContact O-N 3.45Å
6R91.4Very high89.5Confident161 Ų16178.6 Ų78.661%0.60840%0.396SS*.Hα-helixtrans-57.8-28.7173.2-168.9177-177.9-158.5-1.9112.4S10 F69R6-S10 WeakPolarHBondContact O-CB 3.4Å; R6-S10 PolarHBondContact O-N 3.13Å; R6-S10 PolarHBondContact O-OG 2.9Å; R6-F69 HydrophobicContact CG-CD1 4Å; R6-F69 HydrophobicContact CG-CE1 4.43Å; R6-F69 VanDerWaalsContact NE-CE1 3.32Å; R6-F69 VanDerWaalsContact NH2-CZ 3.31Å
7Q91.4Very high89.7Confident163 Ų16377.8 Ų77.876%0.76239%0.387SS*.Hα-helixtrans-72.4-44.3176.2-65.2-179.9-800110.9S5 S10 A11S5-Q7 PolarHBondContact O-N 3.43Å; S5-Q7 VanDerWaalsContact O-N 3.16Å; S5-Q7 PolarHBondContact OG-N 3Å; Q7-S10 PolarHBondContact O-N 2.99Å; Q7-A11 WeakPolarHBondContact O-CB 3.38Å; Q7-A11 PolarHBondContact O-N 2.94Å
8D91.8Very high89.9Confident39 Ų3977.2 Ų77.221%0.20939%0.392CS..Hα-helixtrans-59.4-49.6177.4-57.7-42.8000111.9P4 S5 S10 A11 I12 W73 L132P4-D8 HydrophobicContact CB-CB 4.29Å; S5-D8 WeakPolarHBondContact CA-OD2 3.44Å; S5-D8 WeakPolarHBondContact CB-OD2 3.21Å; S5-D8 PolarHBondContact N-OD2 2.72Å; S5-D8 WeakPolarHBondContact O-CB 3.28Å; S5-D8 PolarHBondContact O-N 3.38Å; S5-D8 VanDerWaalsContact O-N 3.1Å; S5-D8 PolarHBondContact OG-N 2.78Å; S5-D8 VanDerWaalsContact OG-N 3.16Å; S5-D8 PolarHBondContact OG-OD2 3.33Å; D8-S10 VanDerWaalsContact C-N 3.31Å; D8-S10 PolarHBondContact O-N 2.75Å; D8-A11 PolarHBondContact O-N 3.17Å; D8-I12 WeakPolarHBondContact O-CB 3.44Å; D8-I12 WeakPolarHBondContact O-CG1 3.48Å; D8-I12 PolarHBondContact O-N 3.34Å; D8-W73 HydrophobicContact CB-CH2 4.13Å; D8-L132 HydrophobicContact CB-CD1 3.55Å
9I93.4Very high90Very high5 Ų575.4 Ų75.43%0.02638%0.383CS..Hα-helixtrans-55.9-48176.4-64.5164.4000110P4 S5 I12 F13 F69 W71 L76P4-I9 HydrophobicContact CB-CG1 4.09Å; P4-I9 HydrophobicContact CG-CD1 4.23Å; P4-I9 HydrophobicContact CG-CG1 4.1Å; S5-I9 WeakPolarHBondContact O-CG1 3.07Å; S5-I9 PolarHBondContact O-N 3.45Å; I9-I12 PolarHBondContact O-N 2.9Å; I9-F13 HydrophobicContact CG2-CD2 3.76Å; I9-F13 HydrophobicContact CG2-CE2 3.75Å; I9-F13 VanDerWaalsContact O-CD2 3.28Å; I9-F13 WeakPolarHBondContact O-CD2 3.44Å; I9-F13 PolarHBondContact O-N 3.44Å; I9-F69 VanDerWaalsContact CD1-O 3.27Å; I9-F69 WeakPolarHBondContact CD1-O 3.33Å; I9-W71 HydrophobicContact CD1-CB 4.01Å; I9-W71 HydrophobicContact CG1-CB 4.19Å; I9-W71 HydrophobicContact CG2-CG 4.39Å; I9-L76 HydrophobicContact CG1-CD1 4.11Å; I9-L76 HydrophobicContact CG1-CD2 4.47Å
10S92.6Very high90.2Very high68 Ų6876.4 Ų76.448%0.47640%0.395SS..Hα-helixtrans-65.9-40.9-179.5-58.10000112.3R6 Q7 D8 K14R6-S10 WeakPolarHBondContact O-CB 3.4Å; R6-S10 PolarHBondContact O-N 3.13Å; R6-S10 PolarHBondContact O-OG 2.9Å; Q7-S10 PolarHBondContact O-N 2.99Å; D8-S10 VanDerWaalsContact C-N 3.31Å; D8-S10 PolarHBondContact O-N 2.75Å; S10-K14 WeakPolarHBondContact O-CB 3.21Å; S10-K14 PolarHBondContact O-N 3.47Å
11A92.6Very high90.4Very high34 Ų3475.3 Ų75.328%0.28139%0.392SS..Hα-helixtrans-66.1-42.6178.400000112Q7 D8 K14 R15Q7-A11 WeakPolarHBondContact O-CB 3.38Å; Q7-A11 PolarHBondContact O-N 2.94Å; D8-A11 PolarHBondContact O-N 3.17Å; A11-K14 PolarHBondContact O-N 3.29Å; A11-R15 PolarHBondContact O-N 3.36Å; A11-R15 VanDerWaalsContact O-N 3.15Å
12I93.3Very high92Very high1 Ų165.5 Ų65.51%0.00534%0.343CS..Hα-helixtrans-62.7-51.8175.9-71.6166.6000110.2D8 I9 K14 R15 L16 W73 L76 Q80 L132 L134D8-I12 WeakPolarHBondContact O-CB 3.44Å; D8-I12 WeakPolarHBondContact O-CG1 3.48Å; D8-I12 PolarHBondContact O-N 3.34Å; I9-I12 PolarHBondContact O-N 2.9Å; I12-K14 VanDerWaalsContact C-N 3.34Å; I12-K14 PolarHBondContact O-N 2.92Å; I12-R15 PolarHBondContact O-N 3.49Å; I12-L16 HydrophobicContact CG2-CD1 3.76Å; I12-L16 HydrophobicContact CG2-CG 4.28Å; I12-L16 WeakPolarHBondContact O-CG 3.12Å; I12-L16 PolarHBondContact O-N 2.95Å; I12-W73 HydrophobicContact CD1-CZ3 4.19Å; I12-L76 HydrophobicContact CD1-CB 4.34Å; I12-L76 HydrophobicContact CD1-CD1 4.01Å; I12-Q80 HydrophobicContact CG2-CG 3.98Å; I12-L132 HydrophobicContact CD1-CD1 3.81Å; I12-L132 HydrophobicContact CG1-CD1 4.03Å; I12-L134 HydrophobicContact CG1-CD2 3.97Å
13F94.6Very high92.7Very high5 Ų566.3 Ų66.32%0.02233%0.334CS..Hα-helixtrans-67.1-31.7179.3-73-53.7000113.6I9 R15 L16 R17 F43 T65 W71 L76 M79I9-F13 HydrophobicContact CG2-CD2 3.76Å; I9-F13 HydrophobicContact CG2-CE2 3.75Å; I9-F13 VanDerWaalsContact O-CD2 3.28Å; I9-F13 WeakPolarHBondContact O-CD2 3.44Å; I9-F13 PolarHBondContact O-N 3.44Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.3Å; F13-L16 HydrophobicContact CD1-CD1 4.38Å; F13-L16 PolarHBondContact O-N 3.31Å; F13-R17 WeakPolarHBondContact O-CB 3.45Å; F13-R17 WeakPolarHBondContact O-CG 3.04Å; F13-R17 PolarHBondContact O-N 3.09Å; F13-F43 HydrophobicContact CD1-CE1 4.06Å; F13-F43 HydrophobicContact CD1-CZ 4.28Å; F13-F43 HydrophobicContact CE1-CE1 4.33Å; F13-F43 HydrophobicContact CE1-CZ 4.49Å; F13-T65 HydrophobicContact CD1-CG2 3.73Å; F13-T65 HydrophobicContact CD2-CG2 4.39Å; F13-T65 HydrophobicContact CE1-CG2 3.6Å; F13-T65 HydrophobicContact CE2-CG2 4.26Å; F13-T65 HydrophobicContact CG-CG2 4.17Å; F13-T65 HydrophobicContact CZ-CG2 3.89Å; F13-W71 HydrophobicContact CE1-CH2 4.32Å; F13-W71 HydrophobicContact CE2-CD2 4.03Å; F13-W71 AromaticContact CE2-CE2 3.72Å; F13-W71 HydrophobicContact CE2-CE3 4.37Å; F13-W71 HydrophobicContact CE2-CH2 4.23Å; F13-W71 AromaticContact CE2-CZ2 3.84Å; F13-W71 HydrophobicContact CE2-CZ2 3.84Å; F13-W71 HydrophobicContact CE2-CZ3 4.46Å; F13-W71 HydrophobicContact CZ-CD2 4.06Å; F13-W71 AromaticContact CZ-CE2 3.81Å; F13-W71 AromaticContact CZ-CE3 3.96Å; F13-W71 HydrophobicContact CZ-CE3 3.96Å; F13-W71 AromaticContact CZ-CH2 3.47Å; F13-W71 HydrophobicContact CZ-CH2 3.47Å; F13-W71 VanDerWaalsContact CZ-CH2 3.47Å; F13-W71 AromaticContact CZ-CZ2 3.53Å; F13-W71 HydrophobicContact CZ-CZ2 3.53Å; F13-W71 AromaticContact CZ-CZ3 3.67Å; F13-W71 HydrophobicContact CZ-CZ3 3.67Å; F13-L76 HydrophobicContact CE2-CD2 3.9Å; F13-L76 HydrophobicContact CZ-CD2 3.95Å; F13-M79 HydrophobicContact CE1-CB 4.22Å; F13-M79 HydrophobicContact CE1-CG 4.03Å; F13-M79 HydrophobicContact CZ-CG 4.34Å
14K93.3Very high93.1Very high172 Ų17261.6 Ų61.675%0.74832%0.316SS*.Hα-helixtrans-61.7-39173-174.9175.6179.4-179.50112.1S10 A11 I12 S18S10-K14 WeakPolarHBondContact O-CB 3.21Å; S10-K14 PolarHBondContact O-N 3.47Å; A11-K14 PolarHBondContact O-N 3.29Å; I12-K14 VanDerWaalsContact C-N 3.34Å; I12-K14 PolarHBondContact O-N 2.92Å; K14-S18 PolarHBondContact O-N 2.97Å
15R92.4Very high93.4Very high99 Ų9961.3 Ų61.337%0.37431%0.314SS..Hα-helixtrans-73.2-48.4171.5-177.2-179.6-81.694.8-15.7111.9A11 I12 F13 R17 S18 L134A11-R15 PolarHBondContact O-N 3.36Å; A11-R15 VanDerWaalsContact O-N 3.15Å; I12-R15 PolarHBondContact O-N 3.49Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 3.3Å; R15-R17 PolarHBondContact O-N 3.37Å; R15-S18 WeakPolarHBondContact O-CB 3.32Å; R15-S18 PolarHBondContact O-N 3.27Å; R15-S18 PolarHBondContact O-OG 3.03Å; R15-L134 WeakPolarHBondContact CD-O 3.47Å; R15-L134 PolarHBondContact NE-O 3.26Å; R15-L134 PolarHBondContact NH1-O 2.84Å; R15-L134 PolarHBondContact NH2-O 2.99Å
16L93.5Very high93.6Very high15 Ų1559.8 Ų59.88%0.07930%0.301CS..Hα-helixtrans-61.8-31.3-176.2-65.6176.7000112.7I12 F13 I19 N22 F43 M79 Q80I12-L16 HydrophobicContact CG2-CD1 3.76Å; I12-L16 HydrophobicContact CG2-CG 4.28Å; I12-L16 WeakPolarHBondContact O-CG 3.12Å; I12-L16 PolarHBondContact O-N 2.95Å; F13-L16 HydrophobicContact CD1-CD1 4.38Å; F13-L16 PolarHBondContact O-N 3.31Å; L16-I19 HydrophobicContact CD2-CD1 4.47Å; L16-N22 WeakPolarHBondContact O-CB 3.31Å; L16-N22 PolarHBondContact O-ND2 3.33Å; L16-F43 HydrophobicContact CB-CE2 4.26Å; L16-F43 HydrophobicContact CB-CZ 3.7Å; L16-F43 HydrophobicContact CD1-CZ 4.3Å; L16-M79 HydrophobicContact CD1-CB 3.75Å; L16-Q80 HydrophobicContact CD1-CG 4.14Å; L16-Q80 HydrophobicContact CD2-CG 4.43Å
17R92.6Very high93.8Very high65 Ų6554.4 Ų54.425%0.24528%0.284CS..THydrogen-bonded Turntrans-86-4.6174.6-62.7169.181.7-157.411.5113.9F13 R15 K23 P33 F43 E66F13-R17 WeakPolarHBondContact O-CB 3.45Å; F13-R17 WeakPolarHBondContact O-CG 3.04Å; F13-R17 PolarHBondContact O-N 3.09Å; R15-R17 PolarHBondContact O-N 3.37Å; R17-K23 WeakPolarHBondContact O-CE 3.46Å; R17-K23 VanDerWaalsContact O-CG 3.31Å; R17-K23 WeakPolarHBondContact O-CG 3.47Å; R17-P33 PolarHBondContact NE-O 2.99Å; R17-P33 PolarHBondContact NH2-O 3.13Å; R17-F43 HydrophobicContact CG-CD1 4.3Å; R17-F43 HydrophobicContact CG-CE1 3.83Å; R17-F43 HydrophobicContact CG-CZ 4.39Å; R17-E66 IonicContact CZ-OE1 2.65Å; R17-E66 IonicContact NH1-OE1 3.05Å; R17-E66 PolarHBondContact NH1-OE1 3.07Å; R17-E66 IonicContact NH2-OE1 3.25Å; R17-E66 PolarHBondContact NH2-OE1 3.48Å
18S92.9Very high93.9Very high68 Ų6849.8 Ų49.848%0.47627%0.269SS..THydrogen-bonded Turntrans-76.5-30.3170.181.60000111.7K14 R15 K23K14-S18 PolarHBondContact O-N 2.97Å; R15-S18 WeakPolarHBondContact O-CB 3.32Å; R15-S18 PolarHBondContact O-N 3.27Å; R15-S18 PolarHBondContact O-OG 3.03Å; S18-K23 WeakPolarHBondContact O-CE 3.48Å; S18-K23 PolarHBondContact O-NZ 3.23Å
19I92.8Very high94Very high43 Ų4351 Ų5122%0.22129%0.285CS..SBendtrans-59.7125.2174.8-55.9174.6000109.6L16 T21 N22L16-I19 HydrophobicContact CD2-CD1 4.47Å; I19-T21 PolarHBondContact O-N 3.15Å; I19-N22 HydrophobicContact CB-CB 4.46Å; I19-N22 PolarHBondContact O-N 3.43Å; I19-N22 VanDerWaalsContact O-N 3.11Å
20P93.6Very high94.1Very high95 Ų9552.7 Ų52.762%0.61730%0.299SS*.G310 helixtrans-62.9-36.6-169.923.1-33.6000113.7N22 K23P20-N22 PolarHBondContact O-N 2.98Å; P20-K23 WeakPolarHBondContact O-CB 3.39Å; P20-K23 PolarHBondContact O-N 2.99Å; P20-K23 VanDerWaalsContact O-N 3.09Å
21T93.8Very high94.3Very high54 Ų5458.1 Ų58.133%0.33131%0.314SS..G310 helixtrans-66.8-21.717955.40000113.5I19 V24 N84 A85I19-T21 PolarHBondContact O-N 3.15Å; T21-V24 WeakPolarHBondContact O-CG2 3.47Å; T21-N84 VanDerWaalsContact O-CB 3.32Å; T21-N84 WeakPolarHBondContact O-CB 3.21Å; T21-N84 PolarHBondContact O-ND2 3.34Å; T21-A85 HydrophobicContact CG2-CB 4.1Å
22N95.4Very high94.3Very high3 Ų362 Ų622%0.01633%0.33CS..G310 helixtrans-89.6-5176.4-64.3-18.2000112.6L16 I19 P20 V24 P33 F43 N84L16-N22 WeakPolarHBondContact O-CB 3.31Å; L16-N22 PolarHBondContact O-ND2 3.33Å; I19-N22 HydrophobicContact CB-CB 4.46Å; I19-N22 PolarHBondContact O-N 3.43Å; I19-N22 VanDerWaalsContact O-N 3.11Å; P20-N22 PolarHBondContact O-N 2.98Å; N22-V24 VanDerWaalsContact C-N 3.26Å; N22-P33 WeakPolarHBondContact O-CG 3.31Å; N22-F43 HydrophobicContact CB-CD2 3.74Å; N22-F43 HydrophobicContact CB-CE2 3.92Å; N22-F43 HydrophobicContact CB-CG 4.43Å; N22-N84 WeakPolarHBondContact OD1-CB 3.44Å; N22-N84 PolarHBondContact OD1-N 3.41Å
23K95.4Very high94.4Very high87 Ų8762 Ų6238%0.37833%0.331SS..G310 helixtrans-84.33.6173.5-61.6177.7-172.2164.90113.4R17 S18 P20 K31 N32 P33R17-K23 WeakPolarHBondContact O-CE 3.46Å; R17-K23 VanDerWaalsContact O-CG 3.31Å; R17-K23 WeakPolarHBondContact O-CG 3.47Å; S18-K23 WeakPolarHBondContact O-CE 3.48Å; S18-K23 PolarHBondContact O-NZ 3.23Å; P20-K23 WeakPolarHBondContact O-CB 3.39Å; P20-K23 PolarHBondContact O-N 2.99Å; P20-K23 VanDerWaalsContact O-N 3.09Å; K23-K31 CarbonylContact O-C 3.54Å; K23-K31 WeakPolarHBondContact O-CA 3.44Å; K23-N32 PolarHBondContact O-N 3.35Å; K23-P33 VanDerWaalsContact C-CD 3.44Å; K23-P33 WeakPolarHBondContact O-CD 3.18Å
24V96.3Very high94.5Very high56 Ų5663.1 Ų63.134%0.33934%0.339SS..BIsolated β-bridgetrans-128.2141.5175.3-68.80000110.2T21 N22 A30 N84T21-V24 WeakPolarHBondContact O-CG2 3.47Å; N22-V24 VanDerWaalsContact C-N 3.26Å; V24-A30 CarbonylContact C-O 3.6Å; V24-A30 WeakPolarHBondContact CA-O 3.38Å; V24-N84 PolarHBondContact O-ND2 3.29Å
25C96.8Very high94.7Very high5 Ų556.4 Ų56.43%0.03431%0.309CS..  trans-62.3133.5177.31780000111.5D27 C28 A29 A30 C45C25-D27 PolarHBondContact O-N 3.47Å; C25-C28 PolarHBondContact SG-SG 3.43Å; C25-A29 VanDerWaalsContact O-CA 3.27Å; C25-A29 WeakPolarHBondContact O-CA 3.33Å; C25-A29 PolarHBondContact O-N 3.24Å; C25-A30 HydrophobicContact CB-CB 4.25Å; C25-A30 PolarHBondContact N-O 3.07Å; C25-C45 HydrophobicContact CB-CB 4.22Å; C25-C45 PolarHBondContact SG-N 3.01Å
26F95.8Very high94.9Very high18 Ų1851.7 Ų51.78%0.07929%0.291CS..THydrogen-bonded Turntrans-65-18-179.1173.8-111.3000115.1V42 F43 L44 A87 I88 F91 K104 Y105F26-V42 HydrophobicContact CB-CB 4.05Å; F26-V42 HydrophobicContact CB-CG1 4.49Å; F26-V42 HydrophobicContact CB-CG2 4.36Å; F26-V42 HydrophobicContact CD1-CB 4.17Å; F26-V42 HydrophobicContact CD1-CG1 4.12Å; F26-V42 HydrophobicContact CD1-CG2 3.92Å; F26-V42 HydrophobicContact CD2-CG1 4.34Å; F26-V42 HydrophobicContact CE1-CG1 4.43Å; F26-V42 HydrophobicContact CG-CB 4.09Å; F26-V42 HydrophobicContact CG-CG1 4.05Å; F26-V42 HydrophobicContact CG-CG2 4.32Å; F26-F43 PolarHBondContact N-O 3.45Å; F26-L44 HydrophobicContact CB-CD2 4.23Å; F26-A87 HydrophobicContact CD2-CB 4.02Å; F26-A87 HydrophobicContact CE2-CB 3.5Å; F26-A87 HydrophobicContact CZ-CB 3.83Å; F26-I88 HydrophobicContact CD2-CG1 3.83Å; F26-I88 HydrophobicContact CE2-CG1 3.75Å; F26-F91 HydrophobicContact CZ-CD2 4.01Å; F26-F91 HydrophobicContact CZ-CE2 4.12Å; F26-F91 HydrophobicContact CZ-CG 4.3Å; F26-K104 VanDerWaalsContact CE1-CE 3.46Å; F26-K104 PolarHBondContact O-NZ 3.4Å; F26-Y105 WeakPolarHBondContact CD1-OH 3.38Å; F26-Y105 HydrophobicContact CE1-CE1 4.11Å; F26-Y105 VanDerWaalsContact CE1-OH 3.27Å; F26-Y105 WeakPolarHBondContact CE1-OH 3.46Å
27D94.9Very high95.1Very high48 Ų4851 Ų5126%0.25729%0.287SS..THydrogen-bonded Turntrans-106.4-41.3179.3-77.1-49000114.4C25 L44 C48 H52 K104 Y105C25-D27 PolarHBondContact O-N 3.47Å; D27-L44 WeakPolarHBondContact OD2-CD2 3.44Å; D27-C48 HydrophobicContact CB-CB 4.38Å; D27-H52 IonicContact OD2-CD2 2.79Å; D27-H52 IonicContact OD2-NE2 3.21Å; D27-H52 PolarHBondContact OD2-NE2 3.04Å; D27-H52 VanDerWaalsContact OD2-NE2 3.08Å; D27-K104 WeakPolarHBondContact OD1-CD 3.48Å; D27-K104 IonicContact OD1-NZ 2.72Å; D27-K104 PolarHBondContact OD1-NZ 2.96Å; D27-Y105 PolarHBondContact OD1-OH 3.29Å; D27-Y105 PolarHBondContact OD2-OH 3.29Å
28C94.3Very high95.3Very high66 Ų6648.3 Ų48.345%0.44628%0.278SS..THydrogen-bonded Turntrans-1195.9-17468.90000114.7C25 A30 C45 C48C25-C28 PolarHBondContact SG-SG 3.43Å; C28-A30 PolarHBondContact O-N 2.98Å; C28-A30 VanDerWaalsContact SG-CB 3.51Å; C28-C45 PolarHBondContact SG-SG 2.92Å; C28-C48 VanDerWaalsContact SG-SG 3.61Å
29A94.1Very high95.5Very high65 Ų6546.5 Ų46.554%0.53726%0.264SS..  trans57.14.1-176.100000116.7C25C25-A29 VanDerWaalsContact O-CA 3.27Å; C25-A29 WeakPolarHBondContact O-CA 3.33Å; C25-A29 PolarHBondContact O-N 3.24Å
30A96Very high95.7Very high39 Ų3944.5 Ų44.532%0.32225%0.253SS..  trans-54.4138.6176.800000112.4V24 C25 C28 C45V24-A30 CarbonylContact C-O 3.6Å; V24-A30 WeakPolarHBondContact CA-O 3.38Å; C25-A30 HydrophobicContact CB-CB 4.25Å; C25-A30 PolarHBondContact N-O 3.07Å; C28-A30 PolarHBondContact O-N 2.98Å; C28-A30 VanDerWaalsContact SG-CB 3.51Å; A30-C45 HydrophobicContact CB-CB 4.12Å
31K95.3Very high95.8Very high182 Ų18240 Ų4079%0.79122%0.224SC*.BIsolated β-bridgetrans-70.3151.5-172.3-61.9177-177.91760112.2K23K23-K31 CarbonylContact O-C 3.54Å; K23-K31 WeakPolarHBondContact O-CA 3.44Å
32N92.9Very high96Very high116 Ų11637.4 Ų37.462%0.6221%0.208SC*.SBendtrans51.157.4173.3-62.1-24.3000115K23 S34K23-N32 PolarHBondContact O-N 3.35Å; N32-S34 PolarHBondContact O-N 3.37Å
33P96.2Very high96.1Very high2 Ų237.2 Ų37.21%0.01321%0.208CC..  trans-55.7136.3174.226.5-35.8000112.1R17 N22 K23 F43 L44R17-P33 PolarHBondContact NE-O 2.99Å; R17-P33 PolarHBondContact NH2-O 3.13Å; N22-P33 WeakPolarHBondContact O-CG 3.31Å; K23-P33 VanDerWaalsContact C-CD 3.44Å; K23-P33 WeakPolarHBondContact O-CD 3.18Å; P33-F43 HydrophobicContact CB-CB 3.91Å; P33-F43 HydrophobicContact CG-CB 3.62Å; P33-L44 WeakPolarHBondContact CA-O 3.33Å; P33-L44 WeakPolarHBondContact CB-O 3.32Å
34S96Very high96.2Very high27 Ų2733.1 Ų33.119%0.18919%0.19CC..  trans-116.7-0.1178.555.50000113.3N32 S64 T65 E66N32-S34 PolarHBondContact O-N 3.37Å; S34-S64 PolarHBondContact O-OG 2.89Å; S34-T65 PolarHBondContact O-N 3.07Å; S34-T65 PolarHBondContact O-OG1 3.38Å; S34-E66 WeakPolarHBondContact CB-OE2 3.41Å
35W97.1Very high96.2Very high31 Ų3131 Ų3112%0.11718%0.177CC..EExtended strand (participates in β ladder)trans-112.2157.3173.8-65.686.8000110.5F43 L44 I62 R63 L67W35-F43 CarbonylContact O-C 3.53Å; W35-F43 WeakPolarHBondContact O-CA 3.47Å; W35-L44 HydrophobicContact CB-CB 4.38Å; W35-L44 WeakPolarHBondContact CB-O 3.42Å; W35-L44 PolarHBondContact N-O 3.32Å; W35-L44 VanDerWaalsContact N-O 3.14Å; W35-L44 PolarHBondContact O-N 3.45Å; W35-I62 HydrophobicContact CE3-CG2 3.71Å; W35-I62 HydrophobicContact CZ3-CG2 4.27Å; W35-R63 VanDerWaalsContact CE3-C 3.5Å; W35-L67 HydrophobicContact CZ2-CD1 4.46Å
36A97.3Very high96.2Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-139144.1178.600000111.7V42 I62 R63 T65 W71 M79A36-V42 CarbonylContact C-O 3.59Å; A36-V42 VanDerWaalsContact CA-O 3.25Å; A36-V42 WeakPolarHBondContact CA-O 3.45Å; A36-I62 WeakPolarHBondContact O-CA 3.37Å; A36-R63 PolarHBondContact N-O 3.2Å; A36-R63 PolarHBondContact O-N 3.5Å; A36-R63 VanDerWaalsContact O-N 3.08Å; A36-T65 HydrophobicContact CB-CG2 3.78Å; A36-W71 HydrophobicContact CB-CH2 4.17Å; A36-M79 HydrophobicContact CB-CE 3.62Å; A36-M79 HydrophobicContact CB-SD 3.84Å
37S97.3Very high96.2Very high0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-100.2107.8165.5-178.70000109.7T39 Y40 G41 V42 S60 F61S37-T39 VanDerWaalsContact C-N 3.26Å; S37-T39 PolarHBondContact O-N 2.94Å; S37-Y40 PolarHBondContact O-N 2.83Å; S37-Y40 WeakPolarHBondContact OG-CD2 3.47Å; S37-G41 WeakPolarHBondContact O-CA 3.17Å; S37-G41 PolarHBondContact O-N 2.89Å; S37-V42 PolarHBondContact N-O 2.83Å; S37-V42 PolarHBondContact O-N 3.35Å; S37-S60 PolarHBondContact OG-OG 3.1Å; S37-F61 WeakPolarHBondContact CA-O 3.48Å
38I97.3Very high96.3Very high10 Ų1038.8 Ų38.85%0.05122%0.219CC..THydrogen-bonded Turntrans-65.6-32-178.4-70161.7000111.2Y40 F61 R63 W71 Q75 C78I38-Y40 PolarHBondContact O-N 2.94Å; I38-F61 HydrophobicContact CB-CD1 4.18Å; I38-F61 HydrophobicContact CD1-CD1 3.56Å; I38-F61 HydrophobicContact CD1-CE1 3.8Å; I38-F61 HydrophobicContact CG1-CD1 4.43Å; I38-F61 PolarHBondContact N-O 3.41Å; I38-R63 HydrophobicContact CD1-CB 3.92Å; I38-R63 HydrophobicContact CD1-CG 3.58Å; I38-W71 HydrophobicContact CD1-CE3 4.13Å; I38-W71 HydrophobicContact CD1-CH2 3.77Å; I38-W71 HydrophobicContact CD1-CZ3 3.53Å; I38-W71 HydrophobicContact CG1-CE3 4.49Å; I38-W71 HydrophobicContact CG1-CH2 3.74Å; I38-W71 HydrophobicContact CG1-CZ3 3.51Å; I38-Q75 HydrophobicContact CD1-CB 4.07Å; I38-Q75 HydrophobicContact CD1-CG 4.23Å; I38-Q75 HydrophobicContact CG1-CB 4.35Å; I38-Q75 HydrophobicContact CG2-CB 3.92Å; I38-Q75 HydrophobicContact CG2-CG 3.93Å; I38-C78 HydrophobicContact CG2-CB 4.26Å; I38-C78 WeakPolarHBondContact O-CB 3.45Å
39T96.8Very high96.4Very high30 Ų3035.9 Ų35.918%0.18420%0.199CC..THydrogen-bonded Turntrans-61.9-27.5179.6-51.40000112.9S37 L59 F61 R114S37-T39 VanDerWaalsContact C-N 3.26Å; S37-T39 PolarHBondContact O-N 2.94Å; T39-L59 WeakPolarHBondContact CG2-O 3.4Å; T39-F61 PolarHBondContact OG1-N 3.31Å; T39-R114 HydrophobicContact CG2-CB 3.67Å; T39-R114 WeakPolarHBondContact O-CA 3.41Å
40Y96.9Very high96.5Very high0 Ų034.5 Ų34.50%019%0.192CC..THydrogen-bonded Turntrans-121.1-6.2-178.1-53.1-64000113.4S37 I38 V42 L59 Y105 A110 Y113 R114S37-Y40 PolarHBondContact O-N 2.83Å; S37-Y40 WeakPolarHBondContact OG-CD2 3.47Å; I38-Y40 PolarHBondContact O-N 2.94Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; Y40-V42 PolarHBondContact O-N 3.31Å; Y40-L59 WeakPolarHBondContact CE2-O 3.21Å; Y40-L59 PolarHBondContact OH-O 2.67Å; Y40-L59 VanDerWaalsContact OH-O 3.14Å; Y40-Y105 AromaticContact CD2-CD1 4Å; Y40-Y105 HydrophobicContact CD2-CD1 4Å; Y40-Y105 AromaticContact CD2-CE1 3.89Å; Y40-Y105 HydrophobicContact CD2-CE1 3.89Å; Y40-Y105 HydrophobicContact CE1-CD1 4.45Å; Y40-Y105 AromaticContact CE2-CD1 3.33Å; Y40-Y105 HydrophobicContact CE2-CD1 3.33Å; Y40-Y105 AromaticContact CE2-CE1 3.71Å; Y40-Y105 HydrophobicContact CE2-CE1 3.71Å; Y40-Y105 HydrophobicContact CE2-CG 4.2Å; Y40-Y105 AromaticContact CZ-CD1 3.59Å; Y40-Y105 PolarHBondContact OH-O 2.99Å; Y40-A110 HydrophobicContact CE1-CB 4.01Å; Y40-A110 WeakPolarHBondContact CE1-O 3.49Å; Y40-Y113 AromaticContact CD1-CD1 3.98Å; Y40-Y113 HydrophobicContact CD1-CD1 3.98Å; Y40-Y113 HydrophobicContact CG-CD1 4.44Å; Y40-Y113 WeakPolarHBondContact O-CE1 3.46Å; Y40-R114 HydrophobicContact CD1-CB 4.2Å; Y40-R114 HydrophobicContact CE1-CB 3.98Å
41G96.8Very high96.5Very high0 Ų035.4 Ų35.40%019%0.193CC..THydrogen-bonded Turntrans68.428.2-177.800000114.2S37 C78 G83S37-G41 WeakPolarHBondContact O-CA 3.17Å; S37-G41 PolarHBondContact O-N 2.89Å; G41-C78 WeakPolarHBondContact CA-O 3.26Å; G41-G83 WeakPolarHBondContact O-CA 3.41Å; G41-G83 PolarHBondContact O-N 3.3Å
42V97.3Very high96.6Very high0 Ų026.7 Ų26.70%016%0.156CC..EExtended strand (participates in β ladder)trans-114.3154-172.7-60.40000113.5F26 A36 S37 Y40 N84 A87F26-V42 HydrophobicContact CB-CB 4.05Å; F26-V42 HydrophobicContact CB-CG1 4.49Å; F26-V42 HydrophobicContact CB-CG2 4.36Å; F26-V42 HydrophobicContact CD1-CB 4.17Å; F26-V42 HydrophobicContact CD1-CG1 4.12Å; F26-V42 HydrophobicContact CD1-CG2 3.92Å; F26-V42 HydrophobicContact CD2-CG1 4.34Å; F26-V42 HydrophobicContact CE1-CG1 4.43Å; F26-V42 HydrophobicContact CG-CB 4.09Å; F26-V42 HydrophobicContact CG-CG1 4.05Å; F26-V42 HydrophobicContact CG-CG2 4.32Å; A36-V42 CarbonylContact C-O 3.59Å; A36-V42 VanDerWaalsContact CA-O 3.25Å; A36-V42 WeakPolarHBondContact CA-O 3.45Å; S37-V42 PolarHBondContact N-O 2.83Å; S37-V42 PolarHBondContact O-N 3.35Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; Y40-V42 PolarHBondContact O-N 3.31Å; V42-N84 VanDerWaalsContact CA-OD1 3.29Å; V42-N84 WeakPolarHBondContact CA-OD1 3.37Å; V42-N84 WeakPolarHBondContact CB-OD1 3.42Å; V42-A87 HydrophobicContact CG1-CB 3.38Å
43F97.8Very high96.7Very high0 Ų027.6 Ų27.60%015%0.15CC..EExtended strand (participates in β ladder)trans-98.7137.3177.9-63.6-94.2000112F13 L16 R17 N22 F26 P33 W35 T65 M79 N84F13-F43 HydrophobicContact CD1-CE1 4.06Å; F13-F43 HydrophobicContact CD1-CZ 4.28Å; F13-F43 HydrophobicContact CE1-CE1 4.33Å; F13-F43 HydrophobicContact CE1-CZ 4.49Å; L16-F43 HydrophobicContact CB-CE2 4.26Å; L16-F43 HydrophobicContact CB-CZ 3.7Å; L16-F43 HydrophobicContact CD1-CZ 4.3Å; R17-F43 HydrophobicContact CG-CD1 4.3Å; R17-F43 HydrophobicContact CG-CE1 3.83Å; R17-F43 HydrophobicContact CG-CZ 4.39Å; N22-F43 HydrophobicContact CB-CD2 3.74Å; N22-F43 HydrophobicContact CB-CE2 3.92Å; N22-F43 HydrophobicContact CB-CG 4.43Å; F26-F43 PolarHBondContact N-O 3.45Å; P33-F43 HydrophobicContact CB-CB 3.91Å; P33-F43 HydrophobicContact CG-CB 3.62Å; W35-F43 CarbonylContact O-C 3.53Å; W35-F43 WeakPolarHBondContact O-CA 3.47Å; F43-T65 HydrophobicContact CD1-CG2 4.3Å; F43-T65 HydrophobicContact CE1-CG2 4.01Å; F43-M79 HydrophobicContact CD1-CE 4.32Å; F43-M79 HydrophobicContact CD2-CE 4Å; F43-M79 HydrophobicContact CE1-CE 3.98Å; F43-M79 HydrophobicContact CE2-CE 3.61Å; F43-M79 HydrophobicContact CG-CE 4.32Å; F43-M79 HydrophobicContact CZ-CE 3.6Å; F43-N84 PolarHBondContact N-OD1 3.36Å
44L97.4Very high96.7Very high0 Ų032.2 Ų32.20%018%0.182CC..EExtended strand (participates in β ladder)trans-132.2151.8-172.7-61.2173.4000111.7F26 D27 P33 W35 C48 H52 I62F26-L44 HydrophobicContact CB-CD2 4.23Å; D27-L44 WeakPolarHBondContact OD2-CD2 3.44Å; P33-L44 WeakPolarHBondContact CA-O 3.33Å; P33-L44 WeakPolarHBondContact CB-O 3.32Å; W35-L44 HydrophobicContact CB-CB 4.38Å; W35-L44 WeakPolarHBondContact CB-O 3.42Å; W35-L44 PolarHBondContact N-O 3.32Å; W35-L44 VanDerWaalsContact N-O 3.14Å; W35-L44 PolarHBondContact O-N 3.45Å; L44-C48 HydrophobicContact CB-CB 4.33Å; L44-C48 HydrophobicContact CD2-CB 4.23Å; L44-H52 HydrophobicContact CD1-CB 4.49Å; L44-I62 HydrophobicContact CD1-CD1 3.77Å
45C97.1Very high96.6Very high12 Ų1231.6 Ų31.68%0.08118%0.177CC..  trans-74.6173166.174.20000111.1C25 C28 A30 D47 C48 S49C25-C45 HydrophobicContact CB-CB 4.22Å; C25-C45 PolarHBondContact SG-N 3.01Å; C28-C45 PolarHBondContact SG-SG 2.92Å; A30-C45 HydrophobicContact CB-CB 4.12Å; C45-D47 VanDerWaalsContact C-N 3.31Å; C45-D47 PolarHBondContact O-N 2.96Å; C45-D47 PolarHBondContact SG-OD2 3.32Å; C45-C48 PolarHBondContact SG-N 3.09Å; C45-C48 VanDerWaalsContact SG-N 3.44Å; C45-C48 VanDerWaalsContact SG-SG 3.61Å; C45-S49 WeakPolarHBondContact O-CB 3.5Å; C45-S49 PolarHBondContact O-N 3.42Å
46I95.9Very high96.5Very high108 Ų10831.1 Ų31.155%0.55418%0.182SC*.Hα-helixtrans-58.9-41.2179.1-170.9166.5000112.5S49 G50I46-S49 WeakPolarHBondContact O-CB 3.49Å; I46-S49 PolarHBondContact O-N 3.22Å; I46-S49 PolarHBondContact O-OG 2.99Å; I46-G50 PolarHBondContact O-N 3.33Å
47D96.8Very high96.4Very high113 Ų11336.3 Ų36.360%0.60421%0.213SC*.Hα-helixtrans-69.8-48.4-175.1-34.8-82.2000111.4C45 S49 G50 T51C45-D47 VanDerWaalsContact C-N 3.31Å; C45-D47 PolarHBondContact O-N 2.96Å; C45-D47 PolarHBondContact SG-OD2 3.32Å; D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 3.07Å; D47-G50 VanDerWaalsContact O-CA 3.28Å; D47-G50 WeakPolarHBondContact O-CA 3.43Å; D47-G50 PolarHBondContact O-N 3.47Å; D47-T51 PolarHBondContact O-N 2.95Å; D47-T51 PolarHBondContact O-OG1 3.41Å
48C96.5Very high96.2Very high14 Ų1442.9 Ų42.910%0.09524%0.244CC..Hα-helixtrans-63.9-32.8173.1-62.60000111.5D27 C28 L44 C45 G50 T51 H52D27-C48 HydrophobicContact CB-CB 4.38Å; C28-C48 VanDerWaalsContact SG-SG 3.61Å; L44-C48 HydrophobicContact CB-CB 4.33Å; L44-C48 HydrophobicContact CD2-CB 4.23Å; C45-C48 PolarHBondContact SG-N 3.09Å; C45-C48 VanDerWaalsContact SG-N 3.44Å; C45-C48 VanDerWaalsContact SG-SG 3.61Å; C48-G50 PolarHBondContact O-N 3.48Å; C48-T51 PolarHBondContact O-N 2.93Å; C48-H52 PolarHBondContact O-CD2 2.86Å; C48-H52 PolarHBondContact O-N 3.46Å
49S96.4Very high96.1Very high4 Ų443.1 Ų43.13%0.02825%0.245CC..Hα-helixtrans-60.7-34.5170.296.40000111.7C45 I46 D47 H52 R53C45-S49 WeakPolarHBondContact O-CB 3.5Å; C45-S49 PolarHBondContact O-N 3.42Å; I46-S49 WeakPolarHBondContact O-CB 3.49Å; I46-S49 PolarHBondContact O-N 3.22Å; I46-S49 PolarHBondContact O-OG 2.99Å; D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 3.07Å; S49-H52 PolarHBondContact O-N 3.4Å; S49-R53 WeakPolarHBondContact O-CD 3.2Å; S49-R53 VanDerWaalsContact O-CG 3.22Å; S49-R53 WeakPolarHBondContact O-CG 3.42Å; S49-R53 PolarHBondContact O-N 3.37Å; S49-R53 VanDerWaalsContact O-N 3.08Å
50G96Very high96Very high37 Ų3741.8 Ų41.838%0.38124%0.237SC..Hα-helixtrans-61.5-50.8170.600000112.4I46 D47 C48 H52 R53 S54I46-G50 PolarHBondContact O-N 3.33Å; D47-G50 VanDerWaalsContact O-CA 3.28Å; D47-G50 WeakPolarHBondContact O-CA 3.43Å; D47-G50 PolarHBondContact O-N 3.47Å; C48-G50 PolarHBondContact O-N 3.48Å; G50-H52 VanDerWaalsContact C-N 3.29Å; G50-H52 PolarHBondContact O-N 2.99Å; G50-R53 WeakPolarHBondContact O-CB 3.45Å; G50-R53 PolarHBondContact O-N 3.06Å; G50-S54 PolarHBondContact O-N 2.67Å
51T96.2Very high96Very high57 Ų5745.1 Ų45.135%0.3525%0.252SS..Hα-helixtrans-59.4-38.8175.6-40.10000112.2D47 C48 R53 S54 L55 A101D47-T51 PolarHBondContact O-N 2.95Å; D47-T51 PolarHBondContact O-OG1 3.41Å; C48-T51 PolarHBondContact O-N 2.93Å; T51-R53 VanDerWaalsContact C-N 3.31Å; T51-R53 PolarHBondContact O-N 3.04Å; T51-S54 PolarHBondContact O-N 3.07Å; T51-S54 PolarHBondContact O-OG 3.48Å; T51-L55 PolarHBondContact O-N 3.38Å; T51-A101 HydrophobicContact CG2-CB 3.75Å
52H96.4Very high96.1Very high0 Ų046 Ų460%026%0.256CS..Hα-helixtrans-70.6-24176.6-82.1-120.1000113.8D27 L44 C48 S49 G50 S60 I62 Y105D27-H52 IonicContact OD2-CD2 2.79Å; D27-H52 IonicContact OD2-NE2 3.21Å; D27-H52 PolarHBondContact OD2-NE2 3.04Å; D27-H52 VanDerWaalsContact OD2-NE2 3.08Å; L44-H52 HydrophobicContact CD1-CB 4.49Å; C48-H52 PolarHBondContact O-CD2 2.86Å; C48-H52 PolarHBondContact O-N 3.46Å; S49-H52 PolarHBondContact O-N 3.4Å; G50-H52 VanDerWaalsContact C-N 3.29Å; G50-H52 PolarHBondContact O-N 2.99Å; H52-S60 VanDerWaalsContact ND1-CB 3.31Å; H52-S60 WeakPolarHBondContact ND1-CB 3.49Å; H52-S60 PolarHBondContact ND1-OG 3.13Å; H52-I62 HydrophobicContact CB-CD1 3.53Å; H52-I62 HydrophobicContact CB-CG1 3.51Å; H52-Y105 AromaticContact CE1-CD2 3.95Å; H52-Y105 AromaticContact CE1-CE1 3.79Å; H52-Y105 AromaticContact CE1-CE2 3.35Å; H52-Y105 WeakPolarHBondContact CE1-CE2 3.44Å; H52-Y105 AromaticContact CE1-CZ 3.23Å; H52-Y105 PolarHBondContact CE1-OH 3.2Å; H52-Y105 AromaticContact NE2-CD2 3.88Å; H52-Y105 AromaticContact NE2-CE2 3.06Å; H52-Y105 WeakPolarHBondContact NE2-CE2 3.18Å; H52-Y105 AromaticContact NE2-CZ 3.28Å; H52-Y105 VanDerWaalsContact NE2-CZ 3.28Å; H52-Y105 PolarHBondContact NE2-OH 3.43Å
53R96.1Very high96Very high134 Ų13448.6 Ų48.651%0.50627%0.266SS..Hα-helixtrans-70.5-36.9173.6-72.2158.5-176.8-80.62.9111.5S49 G50 T51 G56S49-R53 WeakPolarHBondContact O-CD 3.2Å; S49-R53 VanDerWaalsContact O-CG 3.22Å; S49-R53 WeakPolarHBondContact O-CG 3.42Å; S49-R53 PolarHBondContact O-N 3.37Å; S49-R53 VanDerWaalsContact O-N 3.08Å; G50-R53 WeakPolarHBondContact O-CB 3.45Å; G50-R53 PolarHBondContact O-N 3.06Å; T51-R53 VanDerWaalsContact C-N 3.31Å; T51-R53 PolarHBondContact O-N 3.04Å; R53-G56 PolarHBondContact O-N 3.04Å; R53-G56 VanDerWaalsContact O-N 3.12Å
54S95.8Very high95.9Very high99 Ų9948.6 Ų48.669%0.69227%0.266SS*.Hα-helixtrans-75.1-20.4176.559.40000114.1G50 T51 G56G50-S54 PolarHBondContact O-N 2.67Å; T51-S54 PolarHBondContact O-N 3.07Å; T51-S54 PolarHBondContact O-OG 3.48Å; S54-G56 PolarHBondContact O-N 3.26Å
55L94.1Very high95.8Very high14 Ų1449.2 Ų49.27%0.07327%0.27CS..THydrogen-bonded Turntrans-65.2-25164.7-65176.9000113T51 L59 N102 Y105T51-L55 PolarHBondContact O-N 3.38Å; L55-L59 HydrophobicContact CB-CB 4.09Å; L55-L59 HydrophobicContact CB-CD1 4.11Å; L55-L59 HydrophobicContact CD2-CD1 4.19Å; L55-N102 VanDerWaalsContact CD2-OD1 3.3Å; L55-N102 WeakPolarHBondContact CD2-OD1 3.27Å; L55-Y105 HydrophobicContact CD1-CD2 3.71Å; L55-Y105 HydrophobicContact CD1-CG 4.06Å
56G95Very high95.5Very high22 Ų2253.3 Ų53.323%0.22729%0.288CS..  trans79.5156.7-176.800000114.6R53 S54 H58 L59 S60R53-G56 PolarHBondContact O-N 3.04Å; R53-G56 VanDerWaalsContact O-N 3.12Å; S54-G56 PolarHBondContact O-N 3.26Å; G56-H58 PolarHBondContact O-N 3.13Å; G56-L59 PolarHBondContact O-N 3.31Å; G56-S60 PolarHBondContact O-N 2.99Å
57V95.4Very high95.3Very high108 Ų10854 Ų5466%0.65529%0.292SS*.THydrogen-bonded Turntrans-60.3-20.9-170-630000115.4F61V57-F61 HydrophobicContact CB-CD2 4.15Å; V57-F61 HydrophobicContact CG1-CD2 4.03Å; V57-F61 HydrophobicContact CG1-CE2 4.48Å
58H92.6Very high95.2Very high139 Ų13950.4 Ų50.464%0.64427%0.273SS*.THydrogen-bonded Turntrans-79.9-20.8179.872.3-78.4000113.3G56G56-H58 PolarHBondContact O-N 3.13Å
59L94.3Very high94.9Very high14 Ų1454.6 Ų54.67%0.07329%0.29CS..THydrogen-bonded Turntrans-95.7-46168.9-68180000110.8T39 Y40 L55 G56 N106T39-L59 WeakPolarHBondContact CG2-O 3.4Å; Y40-L59 WeakPolarHBondContact CE2-O 3.21Å; Y40-L59 PolarHBondContact OH-O 2.67Å; Y40-L59 VanDerWaalsContact OH-O 3.14Å; L55-L59 HydrophobicContact CB-CB 4.09Å; L55-L59 HydrophobicContact CB-CD1 4.11Å; L55-L59 HydrophobicContact CD2-CD1 4.19Å; G56-L59 PolarHBondContact O-N 3.31Å; L59-N106 WeakPolarHBondContact CD1-OD1 3.44Å
60S95.9Very high94.7Very high2 Ų259.2 Ų59.21%0.01431%0.314CS..  trans-143.7116.6179.5173.70000112.5S37 H52 G56 I62S37-S60 PolarHBondContact OG-OG 3.1Å; H52-S60 VanDerWaalsContact ND1-CB 3.31Å; H52-S60 WeakPolarHBondContact ND1-CB 3.49Å; H52-S60 PolarHBondContact ND1-OG 3.13Å; G56-S60 PolarHBondContact O-N 2.99Å; S60-I62 VanDerWaalsContact OG-CD1 3.29Å; S60-I62 WeakPolarHBondContact OG-CD1 3.44Å
61F96.9Very high94.6Very high70 Ų7057.6 Ų57.631%0.30730%0.296SS..  trans-87.9113.8170-168.8-112.5000110.4S37 I38 T39 V57 R63S37-F61 WeakPolarHBondContact CA-O 3.48Å; I38-F61 HydrophobicContact CB-CD1 4.18Å; I38-F61 HydrophobicContact CD1-CD1 3.56Å; I38-F61 HydrophobicContact CD1-CE1 3.8Å; I38-F61 HydrophobicContact CG1-CD1 4.43Å; I38-F61 PolarHBondContact N-O 3.41Å; T39-F61 PolarHBondContact OG1-N 3.31Å; V57-F61 HydrophobicContact CB-CD2 4.15Å; V57-F61 HydrophobicContact CG1-CD2 4.03Å; V57-F61 HydrophobicContact CG1-CE2 4.48Å; F61-R63 HydrophobicContact CE1-CG 4.09Å
62I97.3Very high94.5Very high19 Ų1957.6 Ų57.610%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-102135.4-174.9-65.7-56.8000111.6W35 A36 L44 H52 S60W35-I62 HydrophobicContact CE3-CG2 3.71Å; W35-I62 HydrophobicContact CZ3-CG2 4.27Å; A36-I62 WeakPolarHBondContact O-CA 3.37Å; L44-I62 HydrophobicContact CD1-CD1 3.77Å; H52-I62 HydrophobicContact CB-CD1 3.53Å; H52-I62 HydrophobicContact CB-CG1 3.51Å; S60-I62 VanDerWaalsContact OG-CD1 3.29Å; S60-I62 WeakPolarHBondContact OG-CD1 3.44Å
63R96.5Very high94.4Very high54 Ų5458.4 Ų58.420%0.20430%0.302CS..EExtended strand (participates in β ladder)trans-138.6154169.5-78.4-70.3-154.2-165.4-1.4110.2W35 A36 I38 F61 D68 N70 W71W35-R63 VanDerWaalsContact CE3-C 3.5Å; A36-R63 PolarHBondContact N-O 3.2Å; A36-R63 PolarHBondContact O-N 3.5Å; A36-R63 VanDerWaalsContact O-N 3.08Å; I38-R63 HydrophobicContact CD1-CB 3.92Å; I38-R63 HydrophobicContact CD1-CG 3.58Å; F61-R63 HydrophobicContact CE1-CG 4.09Å; R63-D68 WeakPolarHBondContact CD-OD1 3.34Å; R63-D68 WeakPolarHBondContact CD-OD2 3.4Å; R63-D68 IonicContact CZ-OD1 3.94Å; R63-D68 IonicContact NE-OD1 3.3Å; R63-D68 IonicContact NH1-OD1 2.69Å; R63-D68 PolarHBondContact NH1-OD1 3.41Å; R63-N70 PolarHBondContact NE-O 3.06Å; R63-N70 PolarHBondContact NH2-O 3.26Å; R63-N70 VanDerWaalsContact NH2-O 3.15Å; R63-N70 PolarHBondContact NH2-OD1 3.41Å; R63-W71 HydrophobicContact CB-CH2 3.79Å; R63-W71 HydrophobicContact CB-CZ2 3.35Å; R63-W71 HydrophobicContact CG-CZ2 4.25Å
64S95.7Very high94.3Very high1 Ų155.4 Ų55.41%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-80.3143.5167.1177.80000110.1S34 E66 L67 D68 W71S34-S64 PolarHBondContact O-OG 2.89Å; S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact OG-N 3.02Å; S64-E66 VanDerWaalsContact OG-N 3.14Å; S64-L67 PolarHBondContact OG-N 3.33Å; S64-D68 PolarHBondContact N-OD2 3.21Å; S64-W71 WeakPolarHBondContact O-CZ2 3.28Å; S64-W71 PolarHBondContact O-NE1 3.3Å
65T94.3Very high94.3Very high13 Ų1352.4 Ų52.48%0.0827%0.267CS..SBendtrans-86.2-0.9173.264.70000113F13 S34 A36 F43 W71F13-T65 HydrophobicContact CD1-CG2 3.73Å; F13-T65 HydrophobicContact CD2-CG2 4.39Å; F13-T65 HydrophobicContact CE1-CG2 3.6Å; F13-T65 HydrophobicContact CE2-CG2 4.26Å; F13-T65 HydrophobicContact CG-CG2 4.17Å; F13-T65 HydrophobicContact CZ-CG2 3.89Å; S34-T65 PolarHBondContact O-N 3.07Å; S34-T65 PolarHBondContact O-OG1 3.38Å; A36-T65 HydrophobicContact CB-CG2 3.78Å; F43-T65 HydrophobicContact CD1-CG2 4.3Å; F43-T65 HydrophobicContact CE1-CG2 4.01Å; T65-W71 HydrophobicContact CG2-CZ2 4.49Å
66E91.7Very high94.4Very high97 Ų9751.7 Ų51.745%0.45326%0.264SS..SBendtrans-126-36.5-173.7-65.4174.4163.800112.4R17 S34 S64R17-E66 IonicContact CZ-OE1 2.65Å; R17-E66 IonicContact NH1-OE1 3.05Å; R17-E66 PolarHBondContact NH1-OE1 3.07Å; R17-E66 IonicContact NH2-OE1 3.25Å; R17-E66 PolarHBondContact NH2-OE1 3.48Å; S34-E66 WeakPolarHBondContact CB-OE2 3.41Å; S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact OG-N 3.02Å; S64-E66 VanDerWaalsContact OG-N 3.14Å
67L92.5Very high94.4Very high123 Ų12350.7 Ų50.764%0.64425%0.253SS*.SBendtrans-99.2-30-174.8-55.8171.5000113.8W35 S64W35-L67 HydrophobicContact CZ2-CD1 4.46Å; S64-L67 PolarHBondContact OG-N 3.33Å
68D92.9Very high94.4Very high38 Ų3845.7 Ų45.720%0.20322%0.223CC..  trans-90.1121.1178.6-74.5-79000110.6R63 S64 W71R63-D68 WeakPolarHBondContact CD-OD1 3.34Å; R63-D68 WeakPolarHBondContact CD-OD2 3.4Å; R63-D68 IonicContact CZ-OD1 3.94Å; R63-D68 IonicContact NE-OD1 3.3Å; R63-D68 IonicContact NH1-OD1 2.69Å; R63-D68 PolarHBondContact NH1-OD1 3.41Å; S64-D68 PolarHBondContact N-OD2 3.21Å; D68-W71 PolarHBondContact O-NE1 3.07Å
69F90.3Very high94.6Very high102 Ų10239.1 Ų39.145%0.44719%0.192SC..  trans-98.6-13.8171.8-48.1-52.8000113.1R6 I9 W71R6-F69 HydrophobicContact CG-CD1 4Å; R6-F69 HydrophobicContact CG-CE1 4.43Å; R6-F69 VanDerWaalsContact NE-CE1 3.32Å; R6-F69 VanDerWaalsContact NH2-CZ 3.31Å; I9-F69 VanDerWaalsContact CD1-O 3.27Å; I9-F69 WeakPolarHBondContact CD1-O 3.33Å; F69-W71 PolarHBondContact O-N 3.25Å; F69-W71 VanDerWaalsContact O-N 3.08Å
70N92.7Very high94.5Very high100 Ų10039.7 Ų39.754%0.53520%0.195SC..  trans-82.884.1174.5-175.1-54.8000109.8R63R63-N70 PolarHBondContact NE-O 3.06Å; R63-N70 PolarHBondContact NH2-O 3.26Å; R63-N70 VanDerWaalsContact NH2-O 3.15Å; R63-N70 PolarHBondContact NH2-OD1 3.41Å
71W94.4Very high94.5Very high4 Ų441 Ų412%0.01520%0.203CC..  trans-117.7136.7172.7-77.183.5000109.7P4 I9 F13 A36 I38 R63 S64 T65 D68 F69 Q75 L76 M79P4-W71 WeakPolarHBondContact CD-O 3.22Å; P4-W71 WeakPolarHBondContact CG-O 3.1Å; I9-W71 HydrophobicContact CD1-CB 4.01Å; I9-W71 HydrophobicContact CG1-CB 4.19Å; I9-W71 HydrophobicContact CG2-CG 4.39Å; F13-W71 HydrophobicContact CE1-CH2 4.32Å; F13-W71 HydrophobicContact CE2-CD2 4.03Å; F13-W71 AromaticContact CE2-CE2 3.72Å; F13-W71 HydrophobicContact CE2-CE3 4.37Å; F13-W71 HydrophobicContact CE2-CH2 4.23Å; F13-W71 AromaticContact CE2-CZ2 3.84Å; F13-W71 HydrophobicContact CE2-CZ2 3.84Å; F13-W71 HydrophobicContact CE2-CZ3 4.46Å; F13-W71 HydrophobicContact CZ-CD2 4.06Å; F13-W71 AromaticContact CZ-CE2 3.81Å; F13-W71 AromaticContact CZ-CE3 3.96Å; F13-W71 HydrophobicContact CZ-CE3 3.96Å; F13-W71 AromaticContact CZ-CH2 3.47Å; F13-W71 HydrophobicContact CZ-CH2 3.47Å; F13-W71 VanDerWaalsContact CZ-CH2 3.47Å; F13-W71 AromaticContact CZ-CZ2 3.53Å; F13-W71 HydrophobicContact CZ-CZ2 3.53Å; F13-W71 AromaticContact CZ-CZ3 3.67Å; F13-W71 HydrophobicContact CZ-CZ3 3.67Å; A36-W71 HydrophobicContact CB-CH2 4.17Å; I38-W71 HydrophobicContact CD1-CE3 4.13Å; I38-W71 HydrophobicContact CD1-CH2 3.77Å; I38-W71 HydrophobicContact CD1-CZ3 3.53Å; I38-W71 HydrophobicContact CG1-CE3 4.49Å; I38-W71 HydrophobicContact CG1-CH2 3.74Å; I38-W71 HydrophobicContact CG1-CZ3 3.51Å; R63-W71 HydrophobicContact CB-CH2 3.79Å; R63-W71 HydrophobicContact CB-CZ2 3.35Å; R63-W71 HydrophobicContact CG-CZ2 4.25Å; S64-W71 WeakPolarHBondContact O-CZ2 3.28Å; S64-W71 PolarHBondContact O-NE1 3.3Å; T65-W71 HydrophobicContact CG2-CZ2 4.49Å; D68-W71 PolarHBondContact O-NE1 3.07Å; F69-W71 PolarHBondContact O-N 3.25Å; F69-W71 VanDerWaalsContact O-N 3.08Å; W71-Q75 HydrophobicContact CE3-CB 3.81Å; W71-Q75 HydrophobicContact CZ3-CB 4.15Å; W71-L76 HydrophobicContact CB-CD2 4.17Å; W71-L76 HydrophobicContact CB-CG 4.28Å; W71-L76 HydrophobicContact CD2-CD2 4.13Å; W71-L76 HydrophobicContact CE3-CD2 3.85Å; W71-L76 HydrophobicContact CE3-CG 4.4Å; W71-L76 HydrophobicContact CG-CD2 4.27Å; W71-M79 HydrophobicContact CH2-CG 4.3Å; W71-M79 HydrophobicContact CZ3-CG 3.95Å
72S94.3Very high94.4Very high56 Ų5638 Ų3839%0.39219%0.192SC..  trans-89.6148.5169178.70000110.8F74 Q75 L76S72-F74 PolarHBondContact O-N 3.3Å; S72-F74 VanDerWaalsContact O-N 3.15Å; S72-Q75 WeakPolarHBondContact O-CA 3.44Å; S72-Q75 WeakPolarHBondContact O-CB 3.48Å; S72-Q75 PolarHBondContact O-N 3.41Å; S72-L76 PolarHBondContact O-N 2.9Å
73W93.7Very high94.3Very high17 Ų1737.5 Ų37.56%0.06419%0.191CC..Hα-helixtrans-48.2-41.1172.1-78.1109.1000113.1A2 P4 D8 I12 Q75 L76 R77 T130 L132A2-W73 PolarHBondContact O-NE1 2.87Å; A2-W73 VanDerWaalsContact O-NE1 3.11Å; P4-W73 HydrophobicContact CB-CD2 3.95Å; P4-W73 HydrophobicContact CB-CE3 4.39Å; P4-W73 HydrophobicContact CB-CG 4.46Å; P4-W73 HydrophobicContact CB-CH2 4.16Å; P4-W73 HydrophobicContact CB-CZ2 3.69Å; P4-W73 HydrophobicContact CB-CZ3 4.48Å; P4-W73 HydrophobicContact CG-CD2 4.46Å; D8-W73 HydrophobicContact CB-CH2 4.13Å; I12-W73 HydrophobicContact CD1-CZ3 4.19Å; W73-Q75 VanDerWaalsContact C-N 3.33Å; W73-Q75 PolarHBondContact O-N 2.93Å; W73-L76 HydrophobicContact CE3-CD1 4.24Å; W73-L76 PolarHBondContact O-N 3.31Å; W73-R77 WeakPolarHBondContact O-CG 3.33Å; W73-R77 PolarHBondContact O-N 2.79Å; W73-T130 HydrophobicContact CG-CG2 4.31Å; W73-T130 WeakPolarHBondContact CH2-O 3.39Å; W73-T130 WeakPolarHBondContact CZ2-O 3.03Å; W73-L132 HydrophobicContact CH2-CD1 4.08Å; W73-L132 HydrophobicContact CZ3-CD1 4.33Å
74F94.7Very high94.2Very high72 Ų7235 Ų3532%0.31618%0.181SC..Hα-helixtrans-61.2-40.4176.3176.5-99.6000112.6S72 R77 C78 K118 A121S72-F74 PolarHBondContact O-N 3.3Å; S72-F74 VanDerWaalsContact O-N 3.15Å; F74-R77 PolarHBondContact O-N 3.24Å; F74-C78 PolarHBondContact O-N 3.38Å; F74-C78 PolarHBondContact O-SG 3.16Å; F74-C78 VanDerWaalsContact O-SG 3.36Å; F74-K118 HydrophobicContact CZ-CG 4.3Å; F74-A121 HydrophobicContact CD2-CB 4.11Å; F74-A121 HydrophobicContact CE2-CB 3.65Å; F74-A121 HydrophobicContact CZ-CB 4.07Å
75Q95.6Very high94.2Very high35 Ų3537.1 Ų37.116%0.16420%0.199CC..Hα-helixtrans-69.3-37.4178.6-59170.8-23.700111.1I38 W71 S72 W73 C78 M79I38-Q75 HydrophobicContact CD1-CB 4.07Å; I38-Q75 HydrophobicContact CD1-CG 4.23Å; I38-Q75 HydrophobicContact CG1-CB 4.35Å; I38-Q75 HydrophobicContact CG2-CB 3.92Å; I38-Q75 HydrophobicContact CG2-CG 3.93Å; W71-Q75 HydrophobicContact CE3-CB 3.81Å; W71-Q75 HydrophobicContact CZ3-CB 4.15Å; S72-Q75 WeakPolarHBondContact O-CA 3.44Å; S72-Q75 WeakPolarHBondContact O-CB 3.48Å; S72-Q75 PolarHBondContact O-N 3.41Å; W73-Q75 VanDerWaalsContact C-N 3.33Å; W73-Q75 PolarHBondContact O-N 2.93Å; Q75-C78 WeakPolarHBondContact O-CB 3.2Å; Q75-C78 PolarHBondContact O-N 2.84Å; Q75-M79 PolarHBondContact O-N 2.99Å
76L95Very high94.2Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-63-42.8170.6-62.8172.5000110.7P4 I9 I12 F13 W71 S72 W73 C78 M79 Q80P4-L76 HydrophobicContact CB-CD1 3.68Å; P4-L76 HydrophobicContact CG-CD1 3.67Å; I9-L76 HydrophobicContact CG1-CD1 4.11Å; I9-L76 HydrophobicContact CG1-CD2 4.47Å; I12-L76 HydrophobicContact CD1-CB 4.34Å; I12-L76 HydrophobicContact CD1-CD1 4.01Å; F13-L76 HydrophobicContact CE2-CD2 3.9Å; F13-L76 HydrophobicContact CZ-CD2 3.95Å; W71-L76 HydrophobicContact CB-CD2 4.17Å; W71-L76 HydrophobicContact CB-CG 4.28Å; W71-L76 HydrophobicContact CD2-CD2 4.13Å; W71-L76 HydrophobicContact CE3-CD2 3.85Å; W71-L76 HydrophobicContact CE3-CG 4.4Å; W71-L76 HydrophobicContact CG-CD2 4.27Å; S72-L76 PolarHBondContact O-N 2.9Å; W73-L76 HydrophobicContact CE3-CD1 4.24Å; W73-L76 PolarHBondContact O-N 3.31Å; L76-C78 VanDerWaalsContact C-N 3.34Å; L76-C78 PolarHBondContact O-N 2.75Å; L76-M79 PolarHBondContact O-N 3.22Å; L76-M79 VanDerWaalsContact O-N 3.11Å; L76-Q80 WeakPolarHBondContact O-CG 3.36Å; L76-Q80 PolarHBondContact O-N 3.21Å
77R94.9Very high94.4Very high0 Ų034.2 Ų34.20%019%0.19CC..Hα-helixtrans-60.3-40.4173.8-60.7-35.8179.3-162.5-5.6112.2W73 F74 M79 Q80 V81 A121 A124 T125 G129 E131W73-R77 WeakPolarHBondContact O-CG 3.33Å; W73-R77 PolarHBondContact O-N 2.79Å; F74-R77 PolarHBondContact O-N 3.24Å; R77-M79 VanDerWaalsContact C-N 3.25Å; R77-M79 PolarHBondContact O-N 2.99Å; R77-Q80 PolarHBondContact O-N 3.22Å; R77-Q80 VanDerWaalsContact O-N 3.07Å; R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 3.09Å; R77-A121 HydrophobicContact CB-CB 3.97Å; R77-A124 HydrophobicContact CB-CB 4.22Å; R77-A124 HydrophobicContact CG-CB 4.12Å; R77-T125 VanDerWaalsContact CG-OG1 3.3Å; R77-T125 WeakPolarHBondContact CG-OG1 3.31Å; R77-G129 PolarHBondContact NH2-O 3.13Å; R77-E131 PolarHBondContact NH2-O 2.71Å
78C96.3Very high94.4Very high4 Ų432 Ų323%0.02718%0.178CC..Hα-helixtrans-55.9-40173.9-67.10000112.5I38 G41 F74 Q75 L76 G82 I117 A121I38-C78 HydrophobicContact CG2-CB 4.26Å; I38-C78 WeakPolarHBondContact O-CB 3.45Å; G41-C78 WeakPolarHBondContact CA-O 3.26Å; F74-C78 PolarHBondContact O-N 3.38Å; F74-C78 PolarHBondContact O-SG 3.16Å; F74-C78 VanDerWaalsContact O-SG 3.36Å; Q75-C78 WeakPolarHBondContact O-CB 3.2Å; Q75-C78 PolarHBondContact O-N 2.84Å; L76-C78 VanDerWaalsContact C-N 3.34Å; L76-C78 PolarHBondContact O-N 2.75Å; C78-G82 PolarHBondContact O-N 2.95Å; C78-I117 HydrophobicContact CB-CG2 3.78Å; C78-A121 HydrophobicContact CB-CB 4.36Å; C78-A121 WeakPolarHBondContact SG-CB 3.12Å
79M95.9Very high94.5Very high0 Ų032.3 Ų32.30%019%0.186CC..Hα-helixtrans-73.1-30.6176.3-61.3-55.6-53.600112.8F13 L16 A36 F43 W71 Q75 L76 R77F13-M79 HydrophobicContact CE1-CB 4.22Å; F13-M79 HydrophobicContact CE1-CG 4.03Å; F13-M79 HydrophobicContact CZ-CG 4.34Å; L16-M79 HydrophobicContact CD1-CB 3.75Å; A36-M79 HydrophobicContact CB-CE 3.62Å; A36-M79 HydrophobicContact CB-SD 3.84Å; F43-M79 HydrophobicContact CD1-CE 4.32Å; F43-M79 HydrophobicContact CD2-CE 4Å; F43-M79 HydrophobicContact CE1-CE 3.98Å; F43-M79 HydrophobicContact CE2-CE 3.61Å; F43-M79 HydrophobicContact CG-CE 4.32Å; F43-M79 HydrophobicContact CZ-CE 3.6Å; W71-M79 HydrophobicContact CH2-CG 4.3Å; W71-M79 HydrophobicContact CZ3-CG 3.95Å; Q75-M79 PolarHBondContact O-N 2.99Å; L76-M79 PolarHBondContact O-N 3.22Å; L76-M79 VanDerWaalsContact O-N 3.11Å; R77-M79 VanDerWaalsContact C-N 3.25Å; R77-M79 PolarHBondContact O-N 2.99Å
80Q93.8Very high94.8Very high26 Ų2628.3 Ų28.312%0.12117%0.168CC..Hα-helixtrans-76-40.8178.1-68.9-177.1-56.300113.6I12 L16 L76 R77 G82 W133I12-Q80 HydrophobicContact CG2-CG 3.98Å; L16-Q80 HydrophobicContact CD1-CG 4.14Å; L16-Q80 HydrophobicContact CD2-CG 4.43Å; L76-Q80 WeakPolarHBondContact O-CG 3.36Å; L76-Q80 PolarHBondContact O-N 3.21Å; R77-Q80 PolarHBondContact O-N 3.22Å; R77-Q80 VanDerWaalsContact O-N 3.07Å; Q80-G82 VanDerWaalsContact C-N 3.35Å; Q80-W133 HydrophobicContact CB-CZ3 4.33Å; Q80-W133 PolarHBondContact NE2-O 3.37Å
81V94.9Very high94.8Very high31 Ų3123.8 Ų23.819%0.18814%0.144CC..Hα-helixtrans-85.5-8.3179.4-52.90000113.6R77 I117 L120 A121 A124 W133R77-V81 WeakPolarHBondContact O-CG2 3.49Å; R77-V81 PolarHBondContact O-N 3.09Å; V81-I117 HydrophobicContact CG2-CD1 4.28Å; V81-L120 HydrophobicContact CB-CB 3.87Å; V81-L120 HydrophobicContact CG1-CB 4.24Å; V81-L120 HydrophobicContact CG2-CB 3.61Å; V81-A121 HydrophobicContact CG2-CB 4.32Å; V81-A124 HydrophobicContact CG1-CB 3.94Å; V81-W133 HydrophobicContact CG1-CZ3 4.3Å
82G94.9Very high94.7Very high7 Ų727.8 Ų27.87%0.07217%0.165CC..  trans-94.7-109.9177.600000112C78 Q80 S86 I117C78-G82 PolarHBondContact O-N 2.95Å; Q80-G82 VanDerWaalsContact C-N 3.35Å; G82-S86 WeakPolarHBondContact O-CB 3.29Å; G82-S86 PolarHBondContact O-OG 2.95Å; G82-I117 VanDerWaalsContact CA-CD1 3.5Å
83G94.9Very high94.7Very high7 Ų732.1 Ų32.17%0.07218%0.18CC..  trans84155-171.100000112.8G41 A85 S86 A87G41-G83 WeakPolarHBondContact O-CA 3.41Å; G41-G83 PolarHBondContact O-N 3.3Å; G83-A85 VanDerWaalsContact C-N 3.35Å; G83-A85 PolarHBondContact O-N 2.71Å; G83-S86 PolarHBondContact O-N 2.99Å; G83-A87 PolarHBondContact O-N 3Å
84N95.4Very high94.7Very high1 Ų135.6 Ų35.61%0.00520%0.197CC..Hα-helixtrans-67.8-35-173.6-70.33.1000112.1T21 N22 V24 V42 F43 A87 I88T21-N84 VanDerWaalsContact O-CB 3.32Å; T21-N84 WeakPolarHBondContact O-CB 3.21Å; T21-N84 PolarHBondContact O-ND2 3.34Å; N22-N84 WeakPolarHBondContact OD1-CB 3.44Å; N22-N84 PolarHBondContact OD1-N 3.41Å; V24-N84 PolarHBondContact O-ND2 3.29Å; V42-N84 VanDerWaalsContact CA-OD1 3.29Å; V42-N84 WeakPolarHBondContact CA-OD1 3.37Å; V42-N84 WeakPolarHBondContact CB-OD1 3.42Å; F43-N84 PolarHBondContact N-OD1 3.36Å; N84-A87 PolarHBondContact O-N 3.03Å; N84-I88 WeakPolarHBondContact O-CB 3.36Å; N84-I88 WeakPolarHBondContact O-CD1 3.36Å; N84-I88 WeakPolarHBondContact O-CG1 3.4Å; N84-I88 PolarHBondContact O-N 3.42Å
85A94.8Very high94.3Very high46 Ų4635 Ų3538%0.3821%0.21SC..Hα-helixtrans-58.5-50.3175.100000112T21 G83 A87 I88 A89T21-A85 HydrophobicContact CG2-CB 4.1Å; G83-A85 VanDerWaalsContact C-N 3.35Å; G83-A85 PolarHBondContact O-N 2.71Å; A85-A87 VanDerWaalsContact C-N 3.28Å; A85-A87 PolarHBondContact O-N 3.34Å; A85-I88 PolarHBondContact O-N 2.88Å; A85-A89 WeakPolarHBondContact O-CB 3.47Å; A85-A89 PolarHBondContact O-N 3.4Å
86S94.6Very high93.7Very high49 Ų4934.2 Ų34.234%0.34321%0.208SC..Hα-helixtrans-59.3-39.2178.1-51.30000112.1G82 G83 F90G82-S86 WeakPolarHBondContact O-CB 3.29Å; G82-S86 PolarHBondContact O-OG 2.95Å; G83-S86 PolarHBondContact O-N 2.99Å; S86-F90 VanDerWaalsContact O-CB 3.29Å; S86-F90 WeakPolarHBondContact O-CB 3.48Å; S86-F90 PolarHBondContact O-N 3.18Å
87A95.1Very high92.9Very high0 Ų042.6 Ų42.60%025%0.245CC..Hα-helixtrans-69.7-47.8177.100000112F26 V42 G83 N84 A85 A89 F90 F91 Y113F26-A87 HydrophobicContact CD2-CB 4.02Å; F26-A87 HydrophobicContact CE2-CB 3.5Å; F26-A87 HydrophobicContact CZ-CB 3.83Å; V42-A87 HydrophobicContact CG1-CB 3.38Å; G83-A87 PolarHBondContact O-N 3Å; N84-A87 PolarHBondContact O-N 3.03Å; A85-A87 VanDerWaalsContact C-N 3.28Å; A85-A87 PolarHBondContact O-N 3.34Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.5Å; A87-F90 PolarHBondContact O-N 3.02Å; A87-F91 WeakPolarHBondContact O-CB 3.49Å; A87-F91 VanDerWaalsContact O-CD2 3.29Å; A87-F91 WeakPolarHBondContact O-CD2 3.22Å; A87-F91 PolarHBondContact O-N 3.21Å; A87-Y113 WeakPolarHBondContact CA-OH 3.41Å; A87-Y113 HydrophobicContact CB-CE1 3.56Å; A87-Y113 PolarHBondContact N-OH 3.08Å; A87-Y113 VanDerWaalsContact N-OH 3.13Å
88I93.9Very high92.2Very high78 Ų7844.5 Ų44.540%0.426%0.26SS..Hα-helixtrans-59-47.2178.1-68.7164.3000110.1F26 N84 A85 F90 N92F26-I88 HydrophobicContact CD2-CG1 3.83Å; F26-I88 HydrophobicContact CE2-CG1 3.75Å; N84-I88 WeakPolarHBondContact O-CB 3.36Å; N84-I88 WeakPolarHBondContact O-CD1 3.36Å; N84-I88 WeakPolarHBondContact O-CG1 3.4Å; N84-I88 PolarHBondContact O-N 3.42Å; A85-I88 PolarHBondContact O-N 2.88Å; I88-F90 PolarHBondContact O-N 2.87Å; I88-N92 VanDerWaalsContact O-CB 3.29Å; I88-N92 WeakPolarHBondContact O-CB 3.44Å; I88-N92 VanDerWaalsContact O-CG 3.25Å; I88-N92 PolarHBondContact O-N 3.37Å; I88-N92 PolarHBondContact O-ND2 3.15Å
89A94.5Very high91.3Very high44 Ų4448 Ų4836%0.36430%0.298SS..Hα-helixtrans-58.4-47.1176.600000112A85 A87 N92 Q93A85-A89 WeakPolarHBondContact O-CB 3.47Å; A85-A89 PolarHBondContact O-N 3.4Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 3.5Å; A89-N92 PolarHBondContact O-N 3.25Å; A89-Q93 WeakPolarHBondContact O-CB 3.14Å; A89-Q93 WeakPolarHBondContact O-CG 3.41Å; A89-Q93 PolarHBondContact O-N 3.45Å
90F95.5Very high90.8Very high17 Ų1751 Ų518%0.07532%0.323CS..Hα-helixtrans-69-42.7-177.6-168.8-94.4000113.5S86 A87 I88 N92 Q93 H94 A109 L112 Y113 K116S86-F90 VanDerWaalsContact O-CB 3.29Å; S86-F90 WeakPolarHBondContact O-CB 3.48Å; S86-F90 PolarHBondContact O-N 3.18Å; A87-F90 PolarHBondContact O-N 3.02Å; I88-F90 PolarHBondContact O-N 2.87Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.29Å; F90-Q93 PolarHBondContact O-N 3.13Å; F90-H94 AromaticContact CD1-CD2 3.76Å; F90-H94 AromaticContact CE1-CD2 3.37Å; F90-H94 WeakPolarHBondContact CE1-CD2 3.48Å; F90-H94 AromaticContact CE1-NE2 3.77Å; F90-H94 AromaticContact CE2-CD2 3.7Å; F90-H94 AromaticContact CE2-NE2 3.42Å; F90-H94 WeakPolarHBondContact CE2-NE2 3.48Å; F90-H94 AromaticContact CZ-CD2 3.36Å; F90-H94 WeakPolarHBondContact CZ-CD2 3.17Å; F90-H94 AromaticContact CZ-NE2 3.22Å; F90-H94 WeakPolarHBondContact CZ-NE2 3.47Å; F90-H94 PolarHBondContact O-CD2 3.26Å; F90-H94 PolarHBondContact O-N 3.25Å; F90-H94 VanDerWaalsContact O-N 3.08Å; F90-A109 WeakPolarHBondContact CE1-O 3.24Å; F90-L112 HydrophobicContact CE1-CB 4.03Å; F90-L112 HydrophobicContact CZ-CB 3.89Å; F90-Y113 HydrophobicContact CB-CD2 3.81Å; F90-Y113 HydrophobicContact CB-CE2 3.89Å; F90-Y113 AromaticContact CD1-CD2 3.31Å; F90-Y113 HydrophobicContact CD1-CD2 3.31Å; F90-Y113 HydrophobicContact CD1-CE2 4.26Å; F90-Y113 AromaticContact CD1-CG 3.68Å; F90-Y113 HydrophobicContact CD1-CG 3.68Å; F90-Y113 HydrophobicContact CD2-CD2 4.13Å; F90-Y113 AromaticContact CE1-CD2 3.83Å; F90-Y113 HydrophobicContact CE1-CD2 3.83Å; F90-Y113 HydrophobicContact CE1-CG 4.09Å; F90-Y113 AromaticContact CG-CD2 3.46Å; F90-Y113 HydrophobicContact CG-CD2 3.46Å; F90-Y113 VanDerWaalsContact CG-CD2 3.46Å; F90-Y113 HydrophobicContact CG-CE2 4.01Å; F90-Y113 HydrophobicContact CG-CG 4.28Å; F90-Y113 HydrophobicContact CZ-CD2 4.4Å; F90-K116 HydrophobicContact CD2-CD 3.97Å; F90-K116 HydrophobicContact CE2-CD 3.73Å; F90-K116 HydrophobicContact CZ-CD 4.38Å
91F94.3Very high90.6Very high5 Ų550.5 Ų50.52%0.02232%0.323CS..Hα-helixtrans-65.6-37.2176.4-85.4-109.3000111.4F26 A87 H94 G95 C96 K104 Y105 A109 A110 Y113F26-F91 HydrophobicContact CZ-CD2 4.01Å; F26-F91 HydrophobicContact CZ-CE2 4.12Å; F26-F91 HydrophobicContact CZ-CG 4.3Å; A87-F91 WeakPolarHBondContact O-CB 3.49Å; A87-F91 VanDerWaalsContact O-CD2 3.29Å; A87-F91 WeakPolarHBondContact O-CD2 3.22Å; A87-F91 PolarHBondContact O-N 3.21Å; F91-H94 CarbonylContact O-C 3.58Å; F91-H94 PolarHBondContact O-N 3.36Å; F91-G95 PolarHBondContact O-N 3.23Å; F91-C96 HydrophobicContact CB-CB 4.47Å; F91-C96 HydrophobicContact CD1-CB 3.86Å; F91-C96 PolarHBondContact O-N 3.2Å; F91-K104 HydrophobicContact CD1-CG 4.11Å; F91-K104 HydrophobicContact CE1-CG 3.75Å; F91-Y105 HydrophobicContact CZ-CE1 4.4Å; F91-A109 HydrophobicContact CD1-CB 4.47Å; F91-A110 HydrophobicContact CE1-CB 4.04Å; F91-A110 HydrophobicContact CZ-CB 3.77Å; F91-Y113 HydrophobicContact CD2-CD1 4.48Å; F91-Y113 AromaticContact CE2-CD1 3.76Å; F91-Y113 HydrophobicContact CE2-CD1 3.76Å; F91-Y113 HydrophobicContact CE2-CE1 4.49Å; F91-Y113 HydrophobicContact CE2-CG 4.13Å
92N92.4Very high90.4Very high88 Ų8853.9 Ų53.947%0.47134%0.339SS..Hα-helixtrans-65.3-45.4173.2-76.6-26.7000112.3I88 A89 F90 H94 G95I88-N92 VanDerWaalsContact O-CB 3.29Å; I88-N92 WeakPolarHBondContact O-CB 3.44Å; I88-N92 VanDerWaalsContact O-CG 3.25Å; I88-N92 PolarHBondContact O-N 3.37Å; I88-N92 PolarHBondContact O-ND2 3.15Å; A89-N92 PolarHBondContact O-N 3.25Å; F90-N92 VanDerWaalsContact C-N 3.33Å; F90-N92 PolarHBondContact O-N 3.29Å; N92-H94 VanDerWaalsContact C-N 3.25Å; N92-H94 PolarHBondContact O-N 3.08Å; N92-G95 PolarHBondContact O-N 3.41Å
93Q93.8Very high90.3Very high147 Ų14756.2 Ų56.269%0.68736%0.358SS*.Hα-helixtrans-58.4-36176.3-76.3165.5-1.400112.6A89 F90 G95A89-Q93 WeakPolarHBondContact O-CB 3.14Å; A89-Q93 WeakPolarHBondContact O-CG 3.41Å; A89-Q93 PolarHBondContact O-N 3.45Å; F90-Q93 PolarHBondContact O-N 3.13Å; Q93-G95 VanDerWaalsContact C-N 3.35Å
94H92.5Very high90.2Very high91 Ų9156.9 Ų56.942%0.42136%0.359SS..THydrogen-bonded Turntrans-92.817.5175.8-70.5-67.7000114.2F90 F91 N92 C96 A109F90-H94 AromaticContact CD1-CD2 3.76Å; F90-H94 AromaticContact CE1-CD2 3.37Å; F90-H94 WeakPolarHBondContact CE1-CD2 3.48Å; F90-H94 AromaticContact CE1-NE2 3.77Å; F90-H94 AromaticContact CE2-CD2 3.7Å; F90-H94 AromaticContact CE2-NE2 3.42Å; F90-H94 WeakPolarHBondContact CE2-NE2 3.48Å; F90-H94 AromaticContact CZ-CD2 3.36Å; F90-H94 WeakPolarHBondContact CZ-CD2 3.17Å; F90-H94 AromaticContact CZ-NE2 3.22Å; F90-H94 WeakPolarHBondContact CZ-NE2 3.47Å; F90-H94 PolarHBondContact O-CD2 3.26Å; F90-H94 PolarHBondContact O-N 3.25Å; F90-H94 VanDerWaalsContact O-N 3.08Å; F91-H94 CarbonylContact O-C 3.58Å; F91-H94 PolarHBondContact O-N 3.36Å; N92-H94 VanDerWaalsContact C-N 3.25Å; N92-H94 PolarHBondContact O-N 3.08Å; H94-C96 PolarHBondContact O-N 2.95Å; H94-C96 VanDerWaalsContact O-N 3.16Å; H94-A109 HydrophobicContact CB-CB 3.61Å
95G87.1Confident90.2Very high58 Ų5856.9 Ų56.960%0.59836%0.359SS*.THydrogen-bonded Turntrans67.910.8172.400000115.9F91 N92 Q93 K97F91-G95 PolarHBondContact O-N 3.23Å; N92-G95 PolarHBondContact O-N 3.41Å; Q93-G95 VanDerWaalsContact C-N 3.35Å; G95-K97 PolarHBondContact O-N 2.93Å
96C83.3Confident90.1Very high19 Ų1958.6 Ų58.613%0.12836%0.362CS..  trans-86.577.8-172.3-168.10000112F91 H94 A98 S107 A109F91-C96 HydrophobicContact CB-CB 4.47Å; F91-C96 HydrophobicContact CD1-CB 3.86Å; F91-C96 PolarHBondContact O-N 3.2Å; H94-C96 PolarHBondContact O-N 2.95Å; H94-C96 VanDerWaalsContact O-N 3.16Å; C96-A98 VanDerWaalsContact C-N 3.34Å; C96-S107 PolarHBondContact SG-OG 3.3Å; C96-S107 VanDerWaalsContact SG-OG 3.34Å; C96-A109 HydrophobicContact CB-CB 3.61Å
97K77.3Confident90.1Very high177 Ų17757.5 Ų57.577%0.7735%0.354SS*.  trans-9221176.1-60.9-173.6179-177.90114G95 G99G95-K97 PolarHBondContact O-N 2.93Å; K97-G99 PolarHBondContact O-N 3.47Å
98A80Confident90Very high39 Ų3967 Ų6732%0.32239%0.39SS..  trans-73.2116.9-177.700000111.4C96 A103 K104C96-A98 VanDerWaalsContact C-N 3.34Å; A98-A103 HydrophobicContact CB-CB 4.17Å; A98-K104 HydrophobicContact CB-CB 4.5Å
99G77.3Confident90.1Very high79 Ų7963.6 Ų63.681%0.81437%0.374SS*.  trans-73.2-25.717800000114.5K97 A101K97-G99 PolarHBondContact O-N 3.47Å; G99-A101 PolarHBondContact O-N 2.93Å
100A86.6Confident90.2Very high63 Ų6361.5 Ų61.552%0.52136%0.356SS..SBendtrans-77.6116.9176.900000110.9N102 A103 K104A100-N102 VanDerWaalsContact C-N 3.29Å; A100-N102 PolarHBondContact O-N 2.85Å; A100-A103 HydrophobicContact CB-CB 4.48Å; A100-A103 PolarHBondContact O-N 3.36Å; A100-K104 PolarHBondContact O-N 3.33Å
101A88.8Confident90.2Very high15 Ų1564.8 Ų64.812%0.12437%0.372CS..Hα-helixtrans-49.6-45.4-177.400000113.3T51 G99 A103 K104 Y105T51-A101 HydrophobicContact CG2-CB 3.75Å; G99-A101 PolarHBondContact O-N 2.93Å; A101-A103 VanDerWaalsContact C-N 3.3Å; A101-A103 PolarHBondContact O-N 3.25Å; A101-K104 PolarHBondContact O-N 3.5Å; A101-Y105 HydrophobicContact CB-CD2 4.02Å; A101-Y105 HydrophobicContact CB-CE2 4.07Å; A101-Y105 WeakPolarHBondContact O-CD2 3.31Å; A101-Y105 PolarHBondContact O-N 2.72Å
102N90.9Very high90.3Very high101 Ų10168.1 Ų68.154%0.5439%0.389SS..Hα-helixtrans-56.2-41.8178.6-67.16.6000112.5L55 A100 N106L55-N102 VanDerWaalsContact CD2-OD1 3.3Å; L55-N102 WeakPolarHBondContact CD2-OD1 3.27Å; A100-N102 VanDerWaalsContact C-N 3.29Å; A100-N102 PolarHBondContact O-N 2.85Å; N102-N106 WeakPolarHBondContact O-CB 3.3Å; N102-N106 PolarHBondContact O-N 3.23Å; N102-N106 PolarHBondContact O-ND2 3.48Å
103A92.2Very high90.5Very high56 Ų5664 Ų6446%0.46337%0.367SS..Hα-helixtrans-75.5-41.717700000111.9A98 A100 A101 Y105 S107A98-A103 HydrophobicContact CB-CB 4.17Å; A100-A103 HydrophobicContact CB-CB 4.48Å; A100-A103 PolarHBondContact O-N 3.36Å; A101-A103 VanDerWaalsContact C-N 3.3Å; A101-A103 PolarHBondContact O-N 3.25Å; A103-Y105 PolarHBondContact O-N 2.93Å; A103-S107 PolarHBondContact O-N 3.44Å
104K93.7Very high90.6Very high22 Ų2260.2 Ų60.210%0.09635%0.347CS..Hα-helixtrans-56.9-49.6178.4-171.5176.9176.8-175.10111.8F26 D27 F91 A98 A100 A101 S107 A110F26-K104 VanDerWaalsContact CE1-CE 3.46Å; F26-K104 PolarHBondContact O-NZ 3.4Å; D27-K104 WeakPolarHBondContact OD1-CD 3.48Å; D27-K104 IonicContact OD1-NZ 2.72Å; D27-K104 PolarHBondContact OD1-NZ 2.96Å; F91-K104 HydrophobicContact CD1-CG 4.11Å; F91-K104 HydrophobicContact CE1-CG 3.75Å; A98-K104 HydrophobicContact CB-CB 4.5Å; A100-K104 PolarHBondContact O-N 3.33Å; A101-K104 PolarHBondContact O-N 3.5Å; K104-S107 VanDerWaalsContact O-CB 3.3Å; K104-S107 WeakPolarHBondContact O-CB 3.34Å; K104-S107 PolarHBondContact O-N 2.98Å; K104-S107 PolarHBondContact O-OG 3.25Å; K104-A110 WeakPolarHBondContact O-CB 3.33Å
105Y94.8Very high90.8Very high0 Ų059.7 Ų59.70%034%0.344CS..Hα-helixtrans-88.2-18.7-171.5-64.8-63.6000115.4F26 D27 Y40 H52 L55 F91 A101 A103 A110F26-Y105 WeakPolarHBondContact CD1-OH 3.38Å; F26-Y105 HydrophobicContact CE1-CE1 4.11Å; F26-Y105 VanDerWaalsContact CE1-OH 3.27Å; F26-Y105 WeakPolarHBondContact CE1-OH 3.46Å; D27-Y105 PolarHBondContact OD1-OH 3.29Å; D27-Y105 PolarHBondContact OD2-OH 3.29Å; Y40-Y105 AromaticContact CD2-CD1 4Å; Y40-Y105 HydrophobicContact CD2-CD1 4Å; Y40-Y105 AromaticContact CD2-CE1 3.89Å; Y40-Y105 HydrophobicContact CD2-CE1 3.89Å; Y40-Y105 HydrophobicContact CE1-CD1 4.45Å; Y40-Y105 AromaticContact CE2-CD1 3.33Å; Y40-Y105 HydrophobicContact CE2-CD1 3.33Å; Y40-Y105 AromaticContact CE2-CE1 3.71Å; Y40-Y105 HydrophobicContact CE2-CE1 3.71Å; Y40-Y105 HydrophobicContact CE2-CG 4.2Å; Y40-Y105 AromaticContact CZ-CD1 3.59Å; Y40-Y105 PolarHBondContact OH-O 2.99Å; H52-Y105 AromaticContact CE1-CD2 3.95Å; H52-Y105 AromaticContact CE1-CE1 3.79Å; H52-Y105 AromaticContact CE1-CE2 3.35Å; H52-Y105 WeakPolarHBondContact CE1-CE2 3.44Å; H52-Y105 AromaticContact CE1-CZ 3.23Å; H52-Y105 PolarHBondContact CE1-OH 3.2Å; H52-Y105 AromaticContact NE2-CD2 3.88Å; H52-Y105 AromaticContact NE2-CE2 3.06Å; H52-Y105 WeakPolarHBondContact NE2-CE2 3.18Å; H52-Y105 AromaticContact NE2-CZ 3.28Å; H52-Y105 VanDerWaalsContact NE2-CZ 3.28Å; H52-Y105 PolarHBondContact NE2-OH 3.43Å; L55-Y105 HydrophobicContact CD1-CD2 3.71Å; L55-Y105 HydrophobicContact CD1-CG 4.06Å; F91-Y105 HydrophobicContact CZ-CE1 4.4Å; A101-Y105 HydrophobicContact CB-CD2 4.02Å; A101-Y105 HydrophobicContact CB-CE2 4.07Å; A101-Y105 WeakPolarHBondContact O-CD2 3.31Å; A101-Y105 PolarHBondContact O-N 2.72Å; A103-Y105 PolarHBondContact O-N 2.93Å; Y105-A110 HydrophobicContact CD1-CB 4.49Å; Y105-A110 VanDerWaalsContact O-CB 3.31Å; Y105-A110 WeakPolarHBondContact O-CB 3.29Å
106N93.4Very high91.3Very high83 Ų8361.2 Ų61.244%0.44433%0.334SS..Hα-helixtrans-82.9-13.4167.2-75.5-77.7000113.1L59 N102 Q111L59-N106 WeakPolarHBondContact CD1-OD1 3.44Å; N102-N106 WeakPolarHBondContact O-CB 3.3Å; N102-N106 PolarHBondContact O-N 3.23Å; N102-N106 PolarHBondContact O-ND2 3.48Å; N106-Q111 PolarHBondContact O-NE2 2.6Å
107S94.3Very high91.9Very high26 Ų2660.4 Ų60.418%0.18233%0.329CS..SBendtrans-59155.1-178.976.80000113.9C96 A103 K104 A109 A110 Q111C96-S107 PolarHBondContact SG-OG 3.3Å; C96-S107 VanDerWaalsContact SG-OG 3.34Å; A103-S107 PolarHBondContact O-N 3.44Å; K104-S107 VanDerWaalsContact O-CB 3.3Å; K104-S107 WeakPolarHBondContact O-CB 3.34Å; K104-S107 PolarHBondContact O-N 2.98Å; K104-S107 PolarHBondContact O-OG 3.25Å; S107-A109 PolarHBondContact O-N 3.32Å; S107-A109 PolarHBondContact OG-N 3.28Å; S107-A110 PolarHBondContact O-N 3.4Å; S107-A110 VanDerWaalsContact O-N 3.16Å; S107-A110 PolarHBondContact OG-N 3.48Å; S107-Q111 WeakPolarHBondContact O-CG 3.47Å; S107-Q111 PolarHBondContact O-N 2.93Å; S107-Q111 VanDerWaalsContact O-N 3.09Å
108R94.3Very high92.9Very high200 Ų20056.9 Ų56.976%0.75531%0.313SS*.Hα-helixtrans-58.4-31172.5-172.4173.5179.7171.8-0.4112.5Q111 L112R108-Q111 PolarHBondContact O-N 3.19Å; R108-L112 HydrophobicContact CG-CD1 4.3Å; R108-L112 HydrophobicContact CG-CG 4.48Å; R108-L112 WeakPolarHBondContact O-CG 3.21Å; R108-L112 PolarHBondContact O-N 3.45Å
109A95.3Very high93.7Very high6 Ų659.3 Ų59.35%0.0532%0.324CS..Hα-helixtrans-62.1-49.517500000111.3F90 F91 H94 C96 S107 Q111 L112 Y113F90-A109 WeakPolarHBondContact CE1-O 3.24Å; F91-A109 HydrophobicContact CD1-CB 4.47Å; H94-A109 HydrophobicContact CB-CB 3.61Å; C96-A109 HydrophobicContact CB-CB 3.61Å; S107-A109 PolarHBondContact O-N 3.32Å; S107-A109 PolarHBondContact OG-N 3.28Å; A109-Q111 VanDerWaalsContact C-N 3.32Å; A109-Q111 PolarHBondContact O-N 3.45Å; A109-L112 PolarHBondContact O-N 3.1Å; A109-Y113 WeakPolarHBondContact O-CB 3.21Å; A109-Y113 PolarHBondContact O-N 2.91Å
110A95.6Very high94.6Very high0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-61.8-39.4176.100000112.3Y40 F91 K104 Y105 S107 L112 Y113 R114Y40-A110 HydrophobicContact CE1-CB 4.01Å; Y40-A110 WeakPolarHBondContact CE1-O 3.49Å; F91-A110 HydrophobicContact CE1-CB 4.04Å; F91-A110 HydrophobicContact CZ-CB 3.77Å; K104-A110 WeakPolarHBondContact O-CB 3.33Å; Y105-A110 HydrophobicContact CD1-CB 4.49Å; Y105-A110 VanDerWaalsContact O-CB 3.31Å; Y105-A110 WeakPolarHBondContact O-CB 3.29Å; S107-A110 PolarHBondContact O-N 3.4Å; S107-A110 VanDerWaalsContact O-N 3.16Å; S107-A110 PolarHBondContact OG-N 3.48Å; A110-L112 PolarHBondContact O-N 2.93Å; A110-Y113 PolarHBondContact O-N 3.02Å; A110-R114 PolarHBondContact O-N 3.37Å
111Q95.6Very high95Very high86 Ų8655.1 Ų55.140%0.40227%0.274SS..Hα-helixtrans-64.3-36.5177-64.7177.432.800113.2N106 S107 R108 A109 R114N106-Q111 PolarHBondContact O-NE2 2.6Å; S107-Q111 WeakPolarHBondContact O-CG 3.47Å; S107-Q111 PolarHBondContact O-N 2.93Å; S107-Q111 VanDerWaalsContact O-N 3.09Å; R108-Q111 PolarHBondContact O-N 3.19Å; A109-Q111 VanDerWaalsContact C-N 3.32Å; A109-Q111 PolarHBondContact O-N 3.45Å; Q111-R114 VanDerWaalsContact O-CG 3.31Å; Q111-R114 WeakPolarHBondContact O-CG 3.46Å
112L96.5Very high95.3Very high74 Ų7456.8 Ų56.839%0.38728%0.283SS..Hα-helixtrans-72.6-38172.7-68170.7000111.6F90 R108 A109 A110 E115 K116F90-L112 HydrophobicContact CE1-CB 4.03Å; F90-L112 HydrophobicContact CZ-CB 3.89Å; R108-L112 HydrophobicContact CG-CD1 4.3Å; R108-L112 HydrophobicContact CG-CG 4.48Å; R108-L112 WeakPolarHBondContact O-CG 3.21Å; R108-L112 PolarHBondContact O-N 3.45Å; A109-L112 PolarHBondContact O-N 3.1Å; A110-L112 PolarHBondContact O-N 2.93Å; L112-E115 PolarHBondContact O-N 2.89Å; L112-K116 PolarHBondContact O-N 2.83Å
113Y97.2Very high95.5Very high1 Ų156.5 Ų56.50%0.00428%0.278CS..Hα-helixtrans-67.7-41.3-176.9-164-127.3000112.7Y40 A87 F90 F91 A109 A110 E115 K116 I117Y40-Y113 AromaticContact CD1-CD1 3.98Å; Y40-Y113 HydrophobicContact CD1-CD1 3.98Å; Y40-Y113 HydrophobicContact CG-CD1 4.44Å; Y40-Y113 WeakPolarHBondContact O-CE1 3.46Å; A87-Y113 WeakPolarHBondContact CA-OH 3.41Å; A87-Y113 HydrophobicContact CB-CE1 3.56Å; A87-Y113 PolarHBondContact N-OH 3.08Å; A87-Y113 VanDerWaalsContact N-OH 3.13Å; F90-Y113 HydrophobicContact CB-CD2 3.81Å; F90-Y113 HydrophobicContact CB-CE2 3.89Å; F90-Y113 AromaticContact CD1-CD2 3.31Å; F90-Y113 HydrophobicContact CD1-CD2 3.31Å; F90-Y113 HydrophobicContact CD1-CE2 4.26Å; F90-Y113 AromaticContact CD1-CG 3.68Å; F90-Y113 HydrophobicContact CD1-CG 3.68Å; F90-Y113 HydrophobicContact CD2-CD2 4.13Å; F90-Y113 AromaticContact CE1-CD2 3.83Å; F90-Y113 HydrophobicContact CE1-CD2 3.83Å; F90-Y113 HydrophobicContact CE1-CG 4.09Å; F90-Y113 AromaticContact CG-CD2 3.46Å; F90-Y113 HydrophobicContact CG-CD2 3.46Å; F90-Y113 VanDerWaalsContact CG-CD2 3.46Å; F90-Y113 HydrophobicContact CG-CE2 4.01Å; F90-Y113 HydrophobicContact CG-CG 4.28Å; F90-Y113 HydrophobicContact CZ-CD2 4.4Å; F91-Y113 HydrophobicContact CD2-CD1 4.48Å; F91-Y113 AromaticContact CE2-CD1 3.76Å; F91-Y113 HydrophobicContact CE2-CD1 3.76Å; F91-Y113 HydrophobicContact CE2-CE1 4.49Å; F91-Y113 HydrophobicContact CE2-CG 4.13Å; A109-Y113 WeakPolarHBondContact O-CB 3.21Å; A109-Y113 PolarHBondContact O-N 2.91Å; A110-Y113 PolarHBondContact O-N 3.02Å; Y113-E115 VanDerWaalsContact C-N 3.32Å; Y113-E115 PolarHBondContact O-N 3.22Å; Y113-K116 HydrophobicContact CD2-CD 4.31Å; Y113-K116 HydrophobicContact CE2-CD 4.47Å; Y113-K116 WeakPolarHBondContact O-CB 3.5Å; Y113-K116 PolarHBondContact O-N 3.32Å; Y113-I117 HydrophobicContact CD1-CG1 4.31Å; Y113-I117 HydrophobicContact CD2-CG1 4.44Å; Y113-I117 HydrophobicContact CE1-CD1 4.34Å; Y113-I117 HydrophobicContact CE1-CG1 4.02Å; Y113-I117 HydrophobicContact CE2-CD1 4.12Å; Y113-I117 HydrophobicContact CE2-CG1 4.13Å; Y113-I117 WeakPolarHBondContact O-CG1 3.17Å; Y113-I117 PolarHBondContact O-N 3.46Å
114R95.9Very high95.5Very high69 Ų6954.1 Ų54.126%0.2626%0.259SS..Hα-helixtrans-61.4-38.7176.867.3-178.1-175-166-2.9112.8T39 Y40 A110 Q111 K118T39-R114 HydrophobicContact CG2-CB 3.67Å; T39-R114 WeakPolarHBondContact O-CA 3.41Å; Y40-R114 HydrophobicContact CD1-CB 4.2Å; Y40-R114 HydrophobicContact CE1-CB 3.98Å; A110-R114 PolarHBondContact O-N 3.37Å; Q111-R114 VanDerWaalsContact O-CG 3.31Å; Q111-R114 WeakPolarHBondContact O-CG 3.46Å; R114-K118 WeakPolarHBondContact O-CB 3.08Å; R114-K118 PolarHBondContact O-N 3.07Å
115E96.9Very high95.5Very high80 Ų8054.4 Ų54.437%0.37426%0.263SS..Hα-helixtrans-73.8-33.5176.7-63.8-57.3144.200111.8L112 Y113 K118 T119L112-E115 PolarHBondContact O-N 2.89Å; Y113-E115 VanDerWaalsContact C-N 3.32Å; Y113-E115 PolarHBondContact O-N 3.22Å; E115-K118 IonicContact OE1-NZ 2.75Å; E115-K118 PolarHBondContact OE1-NZ 2.73Å; E115-K118 WeakPolarHBondContact OE2-CD 3.5Å; E115-K118 WeakPolarHBondContact OE2-CE 3.29Å; E115-K118 IonicContact OE2-NZ 2.68Å; E115-K118 PolarHBondContact OE2-NZ 3.38Å; E115-T119 VanDerWaalsContact O-CB 3.28Å; E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 PolarHBondContact O-N 3.2Å; E115-T119 PolarHBondContact O-OG1 3.4Å
116K96.9Very high95.3Very high89 Ų8964.5 Ų64.539%0.38730%0.301SS..Hα-helixtrans-60.5-51.8169.7-178.9179.3176.9-178.20111.2F90 L112 Y113 T119 L120F90-K116 HydrophobicContact CD2-CD 3.97Å; F90-K116 HydrophobicContact CE2-CD 3.73Å; F90-K116 HydrophobicContact CZ-CD 4.38Å; L112-K116 PolarHBondContact O-N 2.83Å; Y113-K116 HydrophobicContact CD2-CD 4.31Å; Y113-K116 HydrophobicContact CE2-CD 4.47Å; Y113-K116 WeakPolarHBondContact O-CB 3.5Å; Y113-K116 PolarHBondContact O-N 3.32Å; K116-T119 PolarHBondContact O-N 3.49Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 WeakPolarHBondContact O-CB 3.37Å; K116-L120 WeakPolarHBondContact O-CG 3.39Å; K116-L120 PolarHBondContact O-N 3.26Å
117I97.5Very high95.1Very high2 Ų269.2 Ų69.21%0.0131%0.312CS..Hα-helixtrans-61.3-46.8178.8-68.3-64.4000111.2C78 V81 G82 Y113 T119 L120 A121C78-I117 HydrophobicContact CB-CG2 3.78Å; V81-I117 HydrophobicContact CG2-CD1 4.28Å; G82-I117 VanDerWaalsContact CA-CD1 3.5Å; Y113-I117 HydrophobicContact CD1-CG1 4.31Å; Y113-I117 HydrophobicContact CD2-CG1 4.44Å; Y113-I117 HydrophobicContact CE1-CD1 4.34Å; Y113-I117 HydrophobicContact CE1-CG1 4.02Å; Y113-I117 HydrophobicContact CE2-CD1 4.12Å; Y113-I117 HydrophobicContact CE2-CG1 4.13Å; Y113-I117 WeakPolarHBondContact O-CG1 3.17Å; Y113-I117 PolarHBondContact O-N 3.46Å; I117-T119 VanDerWaalsContact C-N 3.34Å; I117-T119 PolarHBondContact O-N 3.24Å; I117-L120 PolarHBondContact O-N 2.92Å; I117-A121 WeakPolarHBondContact O-CB 3.48Å; I117-A121 PolarHBondContact O-N 3.39Å
118K96.6Very high94.8Very high103 Ų10370.5 Ų70.545%0.44832%0.315SS..Hα-helixtrans-58.5-41.4175.6173.4177.3156.4-151.70112.8F74 R114 E115 T122F74-K118 HydrophobicContact CZ-CG 4.3Å; R114-K118 WeakPolarHBondContact O-CB 3.08Å; R114-K118 PolarHBondContact O-N 3.07Å; E115-K118 IonicContact OE1-NZ 2.75Å; E115-K118 PolarHBondContact OE1-NZ 2.73Å; E115-K118 WeakPolarHBondContact OE2-CD 3.5Å; E115-K118 WeakPolarHBondContact OE2-CE 3.29Å; E115-K118 IonicContact OE2-NZ 2.68Å; E115-K118 PolarHBondContact OE2-NZ 3.38Å; K118-T122 WeakPolarHBondContact O-CB 3.43Å; K118-T122 PolarHBondContact O-N 2.88Å; K118-T122 PolarHBondContact O-OG1 3.25Å
119T97.1Very high94.3Very high90 Ų9062.4 Ų62.455%0.55229%0.294SS*.Hα-helixtrans-66.5-50176.5-58.80000111.6E115 K116 I117 A121 T122 Q123E115-T119 VanDerWaalsContact O-CB 3.28Å; E115-T119 WeakPolarHBondContact O-CB 3.41Å; E115-T119 PolarHBondContact O-N 3.2Å; E115-T119 PolarHBondContact O-OG1 3.4Å; K116-T119 PolarHBondContact O-N 3.49Å; I117-T119 VanDerWaalsContact C-N 3.34Å; I117-T119 PolarHBondContact O-N 3.24Å; T119-A121 PolarHBondContact O-N 2.84Å; T119-T122 WeakPolarHBondContact O-CB 3.37Å; T119-T122 PolarHBondContact O-N 2.87Å; T119-Q123 PolarHBondContact O-N 3.42Å
120L96Very high93.6Very high54 Ų5465.2 Ų65.228%0.28331%0.311SS..Hα-helixtrans-63.3-41.3178.5-69.2171.3000111.9V81 K116 I117 T122 Q123 A124V81-L120 HydrophobicContact CB-CB 3.87Å; V81-L120 HydrophobicContact CG1-CB 4.24Å; V81-L120 HydrophobicContact CG2-CB 3.61Å; K116-L120 HydrophobicContact CG-CD1 3.9Å; K116-L120 WeakPolarHBondContact O-CB 3.37Å; K116-L120 WeakPolarHBondContact O-CG 3.39Å; K116-L120 PolarHBondContact O-N 3.26Å; I117-L120 PolarHBondContact O-N 2.92Å; L120-T122 VanDerWaalsContact C-N 3.33Å; L120-T122 PolarHBondContact O-N 3.23Å; L120-Q123 WeakPolarHBondContact O-CB 3.43Å; L120-Q123 PolarHBondContact O-N 3Å; L120-A124 WeakPolarHBondContact O-CB 3.46Å; L120-A124 PolarHBondContact O-N 3.45Å
121A95.5Very high93Very high0 Ų071.6 Ų71.60%034%0.34CS..Hα-helixtrans-65.5-36.7176.200000111.7F74 R77 C78 V81 I117 T119 T125F74-A121 HydrophobicContact CD2-CB 4.11Å; F74-A121 HydrophobicContact CE2-CB 3.65Å; F74-A121 HydrophobicContact CZ-CB 4.07Å; R77-A121 HydrophobicContact CB-CB 3.97Å; C78-A121 HydrophobicContact CB-CB 4.36Å; C78-A121 WeakPolarHBondContact SG-CB 3.12Å; V81-A121 HydrophobicContact CG2-CB 4.32Å; I117-A121 WeakPolarHBondContact O-CB 3.48Å; I117-A121 PolarHBondContact O-N 3.39Å; T119-A121 PolarHBondContact O-N 2.84Å; A121-T125 VanDerWaalsContact O-CB 3.27Å; A121-T125 WeakPolarHBondContact O-CB 3.37Å; A121-T125 PolarHBondContact O-N 2.8Å; A121-T125 PolarHBondContact O-OG1 2.66Å
122T95.4Very high92.1Very high50 Ų5070.1 Ų70.131%0.30734%0.335SS..Hα-helixtrans-63.9-43172.1-58.30000110.9K118 T119 L120 T125 R126K118-T122 WeakPolarHBondContact O-CB 3.43Å; K118-T122 PolarHBondContact O-N 2.88Å; K118-T122 PolarHBondContact O-OG1 3.25Å; T119-T122 WeakPolarHBondContact O-CB 3.37Å; T119-T122 PolarHBondContact O-N 2.87Å; L120-T122 VanDerWaalsContact C-N 3.33Å; L120-T122 PolarHBondContact O-N 3.23Å; T122-T125 PolarHBondContact O-N 3.21Å; T122-R126 WeakPolarHBondContact O-CG 3.44Å; T122-R126 PolarHBondContact O-N 2.87Å
123Q95.1Very high91.3Very high95 Ų9569.6 Ų69.644%0.44433%0.328SS..Hα-helixtrans-63.9-46.3176.9-169.4-17921.600112T119 L120 T125 R126 R127T119-Q123 PolarHBondContact O-N 3.42Å; L120-Q123 WeakPolarHBondContact O-CB 3.43Å; L120-Q123 PolarHBondContact O-N 3Å; Q123-T125 PolarHBondContact O-N 2.95Å; Q123-R126 PolarHBondContact O-N 2.99Å; Q123-R127 PolarHBondContact O-N 3.29Å
124A93Very high90.2Very high7 Ų772 Ų726%0.05834%0.341CS..Hα-helixtrans-63.9-38.4175.600000112.3R77 V81 L120 R126 R127 H128 W133R77-A124 HydrophobicContact CB-CB 4.22Å; R77-A124 HydrophobicContact CG-CB 4.12Å; V81-A124 HydrophobicContact CG1-CB 3.94Å; L120-A124 WeakPolarHBondContact O-CB 3.46Å; L120-A124 PolarHBondContact O-N 3.45Å; A124-R126 VanDerWaalsContact C-N 3.35Å; A124-R127 PolarHBondContact O-N 2.99Å; A124-H128 PolarHBondContact O-CD2 2.69Å; A124-H128 PolarHBondContact O-N 3.48Å; A124-W133 HydrophobicContact CB-CE3 4.38Å; A124-W133 HydrophobicContact CB-CZ3 3.95Å
125T92.3Very high88.5Confident28 Ų2874.5 Ų74.517%0.17236%0.359CS..Hα-helixtrans-66.7-35.5175-540000111.6R77 A121 T122 Q123 G129R77-T125 VanDerWaalsContact CG-OG1 3.3Å; R77-T125 WeakPolarHBondContact CG-OG1 3.31Å; A121-T125 VanDerWaalsContact O-CB 3.27Å; A121-T125 WeakPolarHBondContact O-CB 3.37Å; A121-T125 PolarHBondContact O-N 2.8Å; A121-T125 PolarHBondContact O-OG1 2.66Å; T122-T125 PolarHBondContact O-N 3.21Å; Q123-T125 PolarHBondContact O-N 2.95Å; T125-G129 WeakPolarHBondContact O-CA 3.4Å; T125-G129 PolarHBondContact O-N 3.4Å
126R91.4Very high86Confident212 Ų21275.1 Ų75.180%0.837%0.372SS*.Hα-helixtrans-70.7-33.2173.7-73.8175.6-177-171.61.3113.4T122 Q123 A124T122-R126 WeakPolarHBondContact O-CG 3.44Å; T122-R126 PolarHBondContact O-N 2.87Å; Q123-R126 PolarHBondContact O-N 2.99Å; A124-R126 VanDerWaalsContact C-N 3.35Å
127R89.2Confident83.7Confident182 Ų18275.9 Ų75.969%0.68738%0.378SS*.Hα-helixtrans-78.1-47.3179.8-77.4-178.3170.4-173.9-4.2113.2Q123 A124Q123-R127 PolarHBondContact O-N 3.29Å; A124-R127 PolarHBondContact O-N 2.99Å
128H86.6Confident80.9Confident52 Ų5278.1 Ų78.124%0.24140%0.401CS..Hα-helixtrans-107.8-6.2-171.2-55-73.2000113.5A124 T130 E131 W133A124-H128 PolarHBondContact O-CD2 2.69Å; A124-H128 PolarHBondContact O-N 3.48Å; H128-T130 PolarHBondContact O-N 3.38Å; H128-E131 WeakPolarHBondContact O-CA 3.39Å; H128-E131 WeakPolarHBondContact O-CB 3.27Å; H128-E131 PolarHBondContact O-N 2.92Å; H128-W133 HydrophobicContact CB-CB 3.89Å; H128-W133 AromaticContact CD2-CD2 3.71Å; H128-W133 AromaticContact CD2-CE3 3.72Å; H128-W133 AromaticContact CD2-CG 3.86Å; H128-W133 AromaticContact CE1-CD1 3.94Å; H128-W133 AromaticContact CE1-CG 3.88Å; H128-W133 AromaticContact CG-CG 3.87Å; H128-W133 AromaticContact ND1-CG 3.88Å; H128-W133 AromaticContact NE2-CD2 3.71Å; H128-W133 AromaticContact NE2-CG 3.9Å
129G84.5Confident78.2Confident30 Ų3079.2 Ų79.231%0.30942%0.419SS..THydrogen-bonded Turntrans50.2-126-179.900000112.7R77 T125R77-G129 PolarHBondContact NH2-O 3.13Å; T125-G129 WeakPolarHBondContact O-CA 3.4Å; T125-G129 PolarHBondContact O-N 3.4Å
130T81.9Confident75.4Confident65 Ų6582.1 Ų82.140%0.39943%0.43SS..THydrogen-bonded Turntrans-95.811.117460.40000113.5M1 W73 H128M1-T130 HydrophobicContact CB-CG2 4.16Å; W73-T130 HydrophobicContact CG-CG2 4.31Å; W73-T130 WeakPolarHBondContact CH2-O 3.39Å; W73-T130 WeakPolarHBondContact CZ2-O 3.03Å; H128-T130 PolarHBondContact O-N 3.38Å
131E80.9Confident72.3Confident134 Ų13484.1 Ų84.163%0.62645%0.448SS*.SBendtrans-73.4147174.5-163-169.516300110.2R77 H128 W133R77-E131 PolarHBondContact NH2-O 2.71Å; H128-E131 WeakPolarHBondContact O-CA 3.39Å; H128-E131 WeakPolarHBondContact O-CB 3.27Å; H128-E131 PolarHBondContact O-N 2.92Å; E131-W133 PolarHBondContact O-N 3.3Å
132L78.1Confident69.8Low56 Ų5690.5 Ų90.529%0.29349%0.49SS..  trans-76.567.9178.3-163.474.7000111.4D8 I12 W73 L134D8-L132 HydrophobicContact CB-CD1 3.55Å; I12-L132 HydrophobicContact CD1-CD1 3.81Å; I12-L132 HydrophobicContact CG1-CD1 4.03Å; W73-L132 HydrophobicContact CH2-CD1 4.08Å; W73-L132 HydrophobicContact CZ3-CD1 4.33Å; L132-L134 HydrophobicContact CD1-CD2 4.22Å; L132-L134 HydrophobicContact CD2-CD1 3.76Å; L132-L134 HydrophobicContact CD2-CD2 3.93Å; L132-L134 HydrophobicContact CD2-CG 3.82Å; L132-L134 HydrophobicContact CG-CD1 4.28Å; L132-L134 HydrophobicContact CG-CD2 3.68Å; L132-L134 HydrophobicContact CG-CG 3.75Å; L132-L134 WeakPolarHBondContact O-CG 3.48Å; L132-L134 PolarHBondContact O-N 3.3Å
133W79.4Confident66.8Low62 Ų6294.5 Ų94.524%0.23551%0.514CS..  trans-57.1106.7169.8174.541.6000109.2Q80 V81 A124 H128 E131 D135Q80-W133 HydrophobicContact CB-CZ3 4.33Å; Q80-W133 PolarHBondContact NE2-O 3.37Å; V81-W133 HydrophobicContact CG1-CZ3 4.3Å; A124-W133 HydrophobicContact CB-CE3 4.38Å; A124-W133 HydrophobicContact CB-CZ3 3.95Å; H128-W133 HydrophobicContact CB-CB 3.89Å; H128-W133 AromaticContact CD2-CD2 3.71Å; H128-W133 AromaticContact CD2-CE3 3.72Å; H128-W133 AromaticContact CD2-CG 3.86Å; H128-W133 AromaticContact CE1-CD1 3.94Å; H128-W133 AromaticContact CE1-CG 3.88Å; H128-W133 AromaticContact CG-CG 3.87Å; H128-W133 AromaticContact ND1-CG 3.88Å; H128-W133 AromaticContact NE2-CD2 3.71Å; H128-W133 AromaticContact NE2-CG 3.9Å; E131-W133 PolarHBondContact O-N 3.3Å; W133-D135 PolarHBondContact NE1-O 3.41Å
134L75Confident63.9Low51 Ų5194.8 Ų94.827%0.26753%0.527SS..  trans-110.6-11.3-178.4-77.1-163.9000112.7I12 R15 L132I12-L134 HydrophobicContact CG1-CD2 3.97Å; R15-L134 WeakPolarHBondContact CD-O 3.47Å; R15-L134 PolarHBondContact NE-O 3.26Å; R15-L134 PolarHBondContact NH1-O 2.84Å; R15-L134 PolarHBondContact NH2-O 2.99Å; L132-L134 HydrophobicContact CD1-CD2 4.22Å; L132-L134 HydrophobicContact CD2-CD1 3.76Å; L132-L134 HydrophobicContact CD2-CD2 3.93Å; L132-L134 HydrophobicContact CD2-CG 3.82Å; L132-L134 HydrophobicContact CG-CD1 4.28Å; L132-L134 HydrophobicContact CG-CD2 3.68Å; L132-L134 HydrophobicContact CG-CG 3.75Å; L132-L134 WeakPolarHBondContact O-CG 3.48Å; L132-L134 PolarHBondContact O-N 3.3Å
135D58.7Low61.7Low122 Ų122100 Ų10065%0.65256%0.56SS**  trans-106.1152-152-135.1-23.2000115.6W133W133-D135 PolarHBondContact NE1-O 3.41Å
136S45.4Very low59.3Low93 Ų93108 Ų10865%0.6560%0.595SS**  trans52.369.2178.4-155.10000116.6
137Q48.7Very low56.8Low106 Ų106105.2 Ų105.250%0.49560%0.596SS.*  trans-13463.8143.3-75.4-59-67.600109.3
138G38.2Very low54.9Low48 Ų48105.8 Ų105.850%0.49560%0.604SS.*SBendtrans-66.1172.9154.400000110.7L140G138-L140 PolarHBondContact O-N 3.38Å
139P40.3Very low52.9Low127 Ų127111.2 Ų111.283%0.82563%0.629SS**  trans-58.4135.1179.425.5-33.9000111.4S141P139-S141 PolarHBondContact O-N 3.21Å
140L37.8Very low51.2Low151 Ų151115.6 Ų115.679%0.79165%0.649SS**  trans-72.385.1-176.2-68.1171.5000111.9G138G138-L140 PolarHBondContact O-N 3.38Å
141S31.8Very low50.3Low96 Ų96116.1 Ų116.167%0.67165%0.65SS**  trans-86.7140.6156.5-66.30000109.7P139 T143P139-S141 PolarHBondContact O-N 3.21Å; S141-T143 PolarHBondContact O-N 3.44Å
142P42.5Very low49.6Very low134 Ų134115.8 Ų115.887%0.8765%0.646SS**  trans-86.793.6-172.133.3-34.7000112.6
143T33.1Very low48.4Very low133 Ų133120.6 Ų120.682%0.81667%0.665SS**  trans-130.4143.8166.3420000112S141S141-T143 PolarHBondContact O-N 3.44Å
144S32.8Very low47.4Very low101 Ų101121 Ų12171%0.70668%0.678SS**  trans-54.9155.6179.6-176.50000113
145P46.1Very low46.4Very low116 Ų116124.9 Ų124.975%0.75370%0.698SS**  trans-53.6147.2161.525.4-36.6000111.6D147P145-D147 PolarHBondContact O-N 2.94Å
146E42.8Very low46.2Very low197 Ų197125.5 Ų125.592%0.92170%0.697SS**  trans-67113.2170.1-68.1171.888.700110.1
147D38.8Very low46.5Very low154 Ų154125.6 Ų125.682%0.82470%0.697SS**  trans-118.2139.9156.5-157.6-15.2000108.3P145 H149P145-D147 PolarHBondContact O-N 2.94Å; D147-H149 VanDerWaalsContact C-N 3.26Å; D147-H149 PolarHBondContact O-N 3.02Å
148K50.4Low46.3Very low194 Ų194128.6 Ų128.684%0.84371%0.711SS**  trans-86.266.1-167.9-70.9-174.4178.3-179.80111.2V150K148-V150 PolarHBondContact O-N 3.46Å
149H42.8Very low46.3Very low166 Ų166133.8 Ų133.877%0.76973%0.728SS**  trans-68.3101.3172.5-160-64.9000110D147 D151D147-H149 VanDerWaalsContact C-N 3.26Å; D147-H149 PolarHBondContact O-N 3.02Å; H149-D151 PolarHBondContact O-N 3.31Å
150V48.9Very low46Very low121 Ų121134.7 Ų134.773%0.73373%0.73SS**  trans-56.3126.7166.1-96.70000108.9K148 F152K148-V150 PolarHBondContact O-N 3.46Å; V150-F152 PolarHBondContact O-N 2.88Å
151D63.9Low46.3Very low77 Ų77133.1 Ų133.141%0.41273%0.729SS.*  trans-71.8119.3-176.9170.137.8000111.2H149 F153 S154H149-D151 PolarHBondContact O-N 3.31Å; D151-F153 PolarHBondContact O-N 3.38Å; D151-F153 PolarHBondContact OD1-N 3.37Å; D151-S154 WeakPolarHBondContact O-CB 3.32Å; D151-S154 PolarHBondContact O-N 3.43Å; D151-S154 PolarHBondContact OD2-N 3.32Å; D151-S154 PolarHBondContact OD2-OG 2.7Å
152F65.8Low46.4Very low126 Ų126138.3 Ų138.355%0.55374%0.743SS**SBendtrans-64.3-27.1-179.6-179.9-95.1000112.9V150 H156V150-F152 PolarHBondContact O-N 2.88Å; F152-H156 AromaticContact CE1-CE1 3.91Å; F152-H156 AromaticContact CE2-CE1 3.72Å; F152-H156 AromaticContact CZ-CE1 3.54Å; F152-H156 PolarHBondContact O-ND1 3.05Å
153F52.5Low46.2Very low158 Ų158138.4 Ų138.469%0.69374%0.736SS**G310 helixtrans-76.8-28.8178.4-70-87.3000112.7D151 L155 H156 S157D151-F153 PolarHBondContact O-N 3.38Å; D151-F153 PolarHBondContact OD1-N 3.37Å; F153-L155 PolarHBondContact O-N 3.2Å; F153-H156 PolarHBondContact O-N 2.75Å; F153-S157 PolarHBondContact O-OG 2.87Å
154S58.7Low46.5Very low70 Ų70139.2 Ų139.249%0.4974%0.735SS.*G310 helixtrans-67.6-14.1174.4-64.50000114D151D151-S154 WeakPolarHBondContact O-CB 3.32Å; D151-S154 PolarHBondContact O-N 3.43Å; D151-S154 PolarHBondContact OD2-N 3.32Å; D151-S154 PolarHBondContact OD2-OG 2.7Å
155L53.3Low46.7Very low132 Ų132140.8 Ų140.869%0.69174%0.735SS**G310 helixtrans-91.7-11177-76.5167.9000114.5F153F153-L155 PolarHBondContact O-N 3.2Å
156H55.6Low46.2Very low136 Ų136143.9 Ų143.963%0.6374%0.742SS**SBendtrans-118.514.1-173-64.793.9000113.5F152 F153F152-H156 AromaticContact CE1-CE1 3.91Å; F152-H156 AromaticContact CE2-CE1 3.72Å; F152-H156 AromaticContact CZ-CE1 3.54Å; F152-H156 PolarHBondContact O-ND1 3.05Å; F153-H156 PolarHBondContact O-N 2.75Å
157S51.5Low45.7Very low95 Ų95138.3 Ų138.366%0.66473%0.73SS**SBendtrans-121.813.6-175.544.60000113.9F153F153-S157 PolarHBondContact O-OG 2.87Å
158Q45.1Very low45.4Very low168 Ų168139.2 Ų139.279%0.78573%0.726SS**  trans-113.588.3174.3-66.4-172.93.700110.8
159D36.8Very low44.5Very low157 Ų157137.5 Ų137.584%0.8472%0.723SS**  trans-162.365.4163.7-112.2-24.8000113.4
160V35.4Very low43.8Very low146 Ų146134.1 Ų134.189%0.88572%0.718SS**  trans-152.5121.6149.2-115.50000110.1
161P43.7Very low42.7Very low118 Ų118136.5 Ų136.577%0.76673%0.726SS**  trans-100135.8175.235.3-29.6000111.9
162E33.4Very low41.4Very low205 Ų205137.5 Ų137.596%0.95874%0.739SS**  trans-153.5169144.3-126.1168.6-157.700111.3
163N38.5Very low40.3Very low136 Ų136137.1 Ų137.173%0.72775%0.749SS**  trans-131.6142-155-174.6-7.1000110.4
164L38.7Very low39Very low151 Ų151135.5 Ų135.579%0.79175%0.752SS**  trans175.4122.2142.5-95.4161.1000114.5
165N38.6Very low37.7Very low134 Ų134139.2 Ų139.272%0.71777%0.766SS**  trans40.2100140.1-65.9-17.9000123.1
166M34.7Very low36.6Very low181 Ų181139.5 Ų139.589%0.89276%0.764SS**  58.4135.3110.7-155.5-179.477.600122.8
167A33.5Very low35.4Very low80 Ų80140.6 Ų140.666%0.66177%0.766SS**  trans116.9102.8142.100000119.5
168K31.5Very low34.8Very low173 Ų173141 Ų14175%0.75277%0.767SS**  52.8142.8118.2-157.2-171.4173.7-172.50120.9
169M32.2Very low33.8Very low157 Ų157138 Ų13877%0.77376%0.764SS**  trans61.1156.3153.661.3-166.2178.900118.8
170S27.1Very low33.5Very low96 Ų96137.3 Ų137.367%0.67176%0.759SS**  cis-173.4138.1-24.41680000110.8
171L27Very low33.2Very low171 Ų171138.2 Ų138.290%0.89575%0.754SS**  trans57.7165.3157.8-71.4168.7000120.5
172S36.4Very low32.5Very low97 Ų97139.3 Ų139.368%0.67875%0.749SS**  trans-113.8160.5-16753.90000114.9
173P41Very low32.2Very low119 Ų119136.5 Ų136.577%0.77373%0.734SS**  trans-105.5150.6154.14.217.8000112.4
174T26.7Very low31.7Very low124 Ų124135.9 Ų135.976%0.76173%0.73SS**  cis91.1133.330.4-570000112.1
175L31.4Very low31.2Very low148 Ų148136.7 Ų136.778%0.77573%0.73SS**  cis-135.4-103.231.6-168.657.1000117.7
176E29.8Very low30.7Very low138 Ų138137 Ų13765%0.64573%0.732SS**  trans-154.2-166.3-158.6-63-172.494.800112.5
177K30.3Very low30.5Very low158 Ų158139.9 Ų139.969%0.68773%0.732SS**  cis-147.1-115.913.9-148.8177.2-169.974.20117.9
178P39.3Very low30.2Very low103 Ų103144.1 Ų144.167%0.66974%0.744SS**  trans-134.6-178.3-13539.9-17.2000121.1
179S23.7Very low30.1Very low105 Ų105138.8 Ų138.873%0.73474%0.738SS**  trans79153.7152.673.40000119.8
180I29.9Very low30Very low144 Ų144138.8 Ų138.874%0.73874%0.741SS**  cis-160.2170-17.1-107.7167.3000108.7
181E29Very low30.2Very low165 Ų165137.6 Ų137.677%0.77173%0.733SS**  trans-13.4159.9164.2-63.6153.7-163.900120.4
182E30Very low30.4Very low140 Ų140136.8 Ų136.865%0.65473%0.725SS**  cis-167.5162.11.9-122.9-163.5164.100110.7
183K27.9Very low30.3Very low147 Ų147141.5 Ų141.564%0.63974%0.736SS**  trans59.7166.3147.8-70.5-176.2166.293.80121.3
184D27.2Very low29.8Very low122 Ų122139.1 Ų139.165%0.65273%0.733SS**  cis-159.2163.1-19-105.3-17.9000112.4
185E28.7Very low30.5Very low169 Ų169139.1 Ų139.179%0.7974%0.735SS**  trans49.1134.3150.9-65.4-171.2145.100126.8
186D28.1Very low30.4Very low141 Ų141137.1 Ų137.175%0.75473%0.733SS**  trans56.6123.7137-76.913.6000126.4
187R29.9Very low30.7Very low240 Ų240136.9 Ų136.991%0.90674%0.741SS**  178.7119.4100.1-97.9-175.2171.8-173.4-3.2118.2
188N28.1Very low30.8Very low169 Ų169137.8 Ų137.890%0.90475%0.747SS**  trans16.5137.4138.8-165.831000124.3
189G28.6Very low30.4Very low61 Ų61138.4 Ų138.463%0.62975%0.749SS**  trans157.7106.2158.800000112.9
190N29.9Very low30.7Very low157 Ų157140.4 Ų140.484%0.8475%0.751SS**  58.1134.887.8-123.942.9000114.8
191S30.9Very low30.7Very low71 Ų71137.9 Ų137.950%0.49775%0.746SS.*  cis-166.9-176.97.214.70000114.2
192E32.2Very low30.8Very low155 Ų155136.7 Ų136.772%0.72475%0.75SS**  trans73.4108.4141.270-145.692.300125.1
193E33.2Very low30.9Very low196 Ų196135.5 Ų135.592%0.91676%0.757SS**  trans66.9164.5133.2-68.5-179.610100123.2
194G31.4Very low31.7Very low68 Ų68134.1 Ų134.170%0.70176%0.763SS**  trans-159.9-168.9-177.200000112.6
195P40.5Very low31.8Very low124 Ų124138 Ų13881%0.80577%0.774SS**  trans-136.1155.3151.437.9-24.1000112.2
196S30.9Very low31.7Very low106 Ų106135 Ų13574%0.74178%0.778SS**  cis67.7134.649.2-136.80000112.3
197V35Very low31.8Very low133 Ų133135.2 Ų135.281%0.80678%0.779SS**  cis-148.5173.832.6-76.40000113.9
198E33Very low32.2Very low177 Ų177129.3 Ų129.383%0.82777%0.772SS**  trans-69.7-175.4163.8-57.7177.510900112
199V30.5Very low32.4Very low116 Ų116129.4 Ų129.470%0.70377%0.767SS**  cis-155.6179.333.9-75.30000109.3
200L29.8Very low33.8Very low147 Ų147131.6 Ų131.677%0.7777%0.77SS**  cis-138.9164.613.3-69.5163.1000108.5
201S29.4Very low33.8Very low91 Ų91128.8 Ų128.864%0.63676%0.762SS**  cis83.5110.69.181.20000120
202V31.3Very low33.7Very low141 Ų141130.3 Ų130.386%0.85577%0.773SS**  trans179.8140.5140.4146.10000112.1
203S33Very low33.8Very low115 Ų115130.2 Ų130.280%0.80478%0.777SS**  trans-141.3149169.6-70.80000109.5
204P44.3Very low33.9Very low117 Ų117126.7 Ų126.776%0.7676%0.764SS**  -143.5151.8109.724.1-3.5000113.4
205K28.4Very low34.1Very low205 Ų205133.1 Ų133.189%0.89177%0.773SS**  cis94.5103.431.1-175.1-172.4-179.1179.20114.4
206A27.1Very low33.8Very low105 Ų105136 Ų13687%0.86877%0.772SS**  trans-178.7158.6146.100000113.1
207N31.2Very low34.1Very low145 Ų145140.3 Ų140.378%0.77578%0.778SS**  trans-138.9142.8170-17936.1000107.3
208P37Very low34.6Very low116 Ų116140.1 Ų140.175%0.75378%0.779SS**  -153169.6103.940.3-22.7000116.4
209E33.6Very low34.5Very low171 Ų171135.7 Ų135.780%0.79977%0.773SS**  trans-85.3-171.6158.9-46.1-169.5115.600111.1
210P58.2Low34.4Very low107 Ų107135.2 Ų135.270%0.69578%0.781SS**  cis-130-176.7-16.732.4-12.3000113.8
211S28.5Very low34.5Very low98 Ų98133 Ų13369%0.68578%0.784SS**  141114.3129.5-62.30000119.1
212S29.1Very low35Very low104 Ų104138.3 Ų138.373%0.72780%0.796SS**  76.2169.8129.180.30000123.5
213L35.3Very low35.2Very low152 Ų152141.1 Ų141.180%0.79680%0.796SS**  trans77.8153.5170.6-47.9-174.3000119.5
214L33.5Very low35.1Very low122 Ų122141.4 Ų141.464%0.63979%0.793SS**  -175.1127-51.9-126.1161.1000110.6K216L214-K216 HydrophobicContact CD2-CG 4.19Å
215K36.5Very low34.6Very low204 Ų204144.2 Ų144.289%0.88780%0.801SS**  trans170.1104.9153.9-95.1149.2-1731770108.7
216K33.6Very low34.9Very low183 Ų183138.8 Ų138.880%0.79680%0.795SS**  72.694.966.1-73.7-167.8173.2-179.30116.5L214L214-K216 HydrophobicContact CD2-CG 4.19Å
217K38.4Very low35.5Very low198 Ų198140 Ų14086%0.86180%0.797SS**  4.6149.4126.9-86.3178.3179.4176.10118.1
218P44Very low36Very low128 Ų128143 Ų14383%0.83180%0.803SS**  -139.6-163.660.128.7-5.8000115
219A31.2Very low36.2Very low85 Ų85147.7 Ų147.770%0.70281%0.811SS**  174.6170-51.300000109.6
220A29.5Very low36.3Very low105 Ų105142.8 Ų142.887%0.86881%0.807SS**  trans72.1156.1-178.600000115.5
221A31.2Very low35.3Very low102 Ų102141.2 Ų141.284%0.84381%0.81SS**  cis-139.5173.9500000113.2
222K39.6Very low36.1Very low201 Ų201145.3 Ų145.387%0.87482%0.824SS**  trans-85.7138.1-176.3-58.6170.9179.7174.90113.4
223K36.9Very low36.5Very low200 Ų200143.6 Ų143.687%0.8782%0.822SS**  trans-148.3110.9150.3-72.2-164.9179.9-179.70107.9
224T30.5Very low37Very low121 Ų121141.5 Ų141.574%0.74283%0.827SS**  70.99972.763.80000115.7
225L33.6Very low38Very low177 Ų177144.4 Ų144.493%0.92784%0.837SS**  trans63.1157.9140.4-149.565.1000120.3
226A33.8Very low38.6Very low91 Ų91144.2 Ų144.275%0.75284%0.836SS**  trans71.661.5166.100000118.9
227S39.8Very low39.4Very low130 Ų130140 Ų14091%0.90983%0.826SS**  trans-67.8136.4150.7-73.50000110.5
228K42Very low40.6Very low207 Ų207134.3 Ų134.390%0.981%0.811SS**  trans-63.4137.2-171.9-95.2177173.51750113.8G230K228-G230 PolarHBondContact O-N 3.16Å
229K42.2Very low41.1Very low215 Ų215133 Ų13394%0.93580%0.804SS**  trans-55.6111.1160.2179.6-179.9-179178.80109.7
230G35Very low42.4Very low68 Ų68136.7 Ų136.770%0.70181%0.807SS**  trans-129.970.9-179.700000111.6K228 L232K228-G230 PolarHBondContact O-N 3.16Å; G230-L232 PolarHBondContact O-N 3.13Å
231G37.3Very low43.9Very low75 Ų75133.6 Ų133.677%0.77378%0.779SS**  trans-76.6116.6179.500000111.7G233G231-G233 PolarHBondContact O-N 2.89Å; G231-G233 VanDerWaalsContact O-N 3.08Å
232L45.4Very low45.2Very low184 Ų184135.2 Ų135.296%0.96377%0.767SS**  trans-78.286.1170.3-69.4171000109.2G230G230-L232 PolarHBondContact O-N 3.13Å
233G37.7Very low47Very low68 Ų68129.4 Ų129.470%0.70175%0.752SS**  trans-69.3141.6175.800000112.1G231 Q235G231-G233 PolarHBondContact O-N 2.89Å; G231-G233 VanDerWaalsContact O-N 3.08Å; G233-Q235 PolarHBondContact O-N 2.85Å
234A45.8Very low48.8Very low107 Ų107127.2 Ų127.288%0.88475%0.745SS**  trans-66.9117.6175.200000110.7K236A234-K236 PolarHBondContact O-N 3.24Å
235Q53.1Low50.8Low184 Ų184127.5 Ų127.586%0.8674%0.742SS**  trans-77.7104.6178.7-175.2169.2-21.400110.3G233 V237G233-Q235 PolarHBondContact O-N 2.85Å; Q235-V237 PolarHBondContact O-N 3.5Å; Q235-V237 VanDerWaalsContact O-N 3.15Å
236K50Low53.1Low200 Ų200124.6 Ų124.687%0.8772%0.723SS**  trans-68.2107178.6-174.7-178.6-180-177.60110.7A234A234-K236 PolarHBondContact O-N 3.24Å
237V51.1Low55.6Low95 Ų95127.7 Ų127.758%0.57672%0.72SS**  trans-70.7143.1172.7-164.70000109.7Q235Q235-V237 PolarHBondContact O-N 3.5Å; Q235-V237 VanDerWaalsContact O-N 3.15Å
238S61.9Low57.5Low78 Ų78124.5 Ų124.555%0.54570%0.701SS.*  trans-77.7149178.953.50000112Q240 S241S238-Q240 PolarHBondContact O-N 2.9Å; S238-S241 PolarHBondContact O-OG 2.98Å
239S55.1Low59Low100 Ų100117.2 Ų117.270%0.69968%0.679SS**THydrogen-bonded Turntrans-67.3-16.3-172.744.90000115.1S241 F242S239-S241 PolarHBondContact O-N 3.07Å; S239-F242 PolarHBondContact O-N 3.32Å
240Q58.6Low60.8Low162 Ų162112.5 Ų112.576%0.75766%0.661SS**Hα-helixtrans-69.1-29.3-176.8-73.4175.3-32.500113.4S238 F242S238-Q240 PolarHBondContact O-N 2.9Å; Q240-F242 VanDerWaalsContact C-N 3.32Å; Q240-F242 PolarHBondContact O-N 3.27Å
241S60.7Low63Low41 Ų41111.9 Ų111.929%0.28765%0.649SS.*Hα-helixtrans-68.3-29.5-179.958.90000113.5S238 S239 L245S238-S241 PolarHBondContact O-OG 2.98Å; S239-S241 PolarHBondContact O-N 3.07Å; S241-L245 WeakPolarHBondContact O-CD1 3.39Å; S241-L245 PolarHBondContact O-N 3.41Å
242F58.7Low64.8Low135 Ų135111 Ų11159%0.59264%0.635SS**Hα-helixtrans-72.1-39.8-176.6-70.2-82.9000112.5S239 Q240 E244 L245 E246S239-F242 PolarHBondContact O-N 3.32Å; Q240-F242 VanDerWaalsContact C-N 3.32Å; Q240-F242 PolarHBondContact O-N 3.27Å; F242-E244 VanDerWaalsContact C-N 3.29Å; F242-E244 PolarHBondContact O-N 3.11Å; F242-L245 PolarHBondContact O-N 3.34Å; F242-E246 WeakPolarHBondContact O-CB 3.29Å; F242-E246 PolarHBondContact O-N 2.67Å
243S78.2Confident66.2Low79 Ų79106.6 Ų106.655%0.55261%0.612SS**Hα-helixtrans-65-33179.7-173.70000112.5K247S243-K247 WeakPolarHBondContact O-CB 3.21Å; S243-K247 PolarHBondContact O-N 3.19Å
244E75.1Confident68Low154 Ų154109.9 Ų109.972%0.7261%0.607SS**Hα-helixtrans-74.7-39.9177.4-165.5160.8-129.100112.1F242 A248F242-E244 VanDerWaalsContact C-N 3.29Å; F242-E244 PolarHBondContact O-N 3.11Å; E244-A248 WeakPolarHBondContact O-CB 3.4Å; E244-A248 PolarHBondContact O-N 3.16Å
245L72.2Confident69.2Low128 Ų128110.2 Ų110.267%0.6759%0.593SS**Hα-helixtrans-63.9-43.4171.4-97.8130.5000112.8S241 F242 A248 A249S241-L245 WeakPolarHBondContact O-CD1 3.39Å; S241-L245 PolarHBondContact O-N 3.41Å; F242-L245 PolarHBondContact O-N 3.34Å; L245-A248 PolarHBondContact O-N 3.05Å; L245-A249 PolarHBondContact O-N 3.24Å
246E81.9Confident70Confident116 Ų116108.1 Ų108.154%0.54258%0.577SS.*Hα-helixtrans-63.5-44.4177.1-177.5177.7-16800111.4F242 A248 A249 Q250F242-E246 WeakPolarHBondContact O-CB 3.29Å; F242-E246 PolarHBondContact O-N 2.67Å; E246-A248 VanDerWaalsContact C-N 3.3Å; E246-A248 PolarHBondContact O-N 2.86Å; E246-A249 PolarHBondContact O-N 3.31Å; E246-Q250 WeakPolarHBondContact O-CG 3.38Å; E246-Q250 PolarHBondContact O-N 3.36Å
247K85.2Confident70.8Confident155 Ų155104.6 Ų104.667%0.67456%0.564SS**Hα-helixtrans-63.6-34.6175.6-171.1177.7-177.1-177.50112.5S243 A251S243-K247 WeakPolarHBondContact O-CB 3.21Å; S243-K247 PolarHBondContact O-N 3.19Å; K247-A251 WeakPolarHBondContact O-CB 3.27Å; K247-A251 PolarHBondContact O-N 3.33Å; K247-A251 VanDerWaalsContact O-N 3.09Å
248A79.9Confident71.5Confident63 Ų63106.7 Ų106.752%0.52157%0.565SS.*Hα-helixtrans-68.5-40.3173.700000112.3E244 L245 E246 A251 A252E244-A248 WeakPolarHBondContact O-CB 3.4Å; E244-A248 PolarHBondContact O-N 3.16Å; L245-A248 PolarHBondContact O-N 3.05Å; E246-A248 VanDerWaalsContact C-N 3.3Å; E246-A248 PolarHBondContact O-N 2.86Å; A248-A251 PolarHBondContact O-N 2.96Å; A248-A252 PolarHBondContact O-N 2.88Å
249A74.6Confident71.3Confident54 Ų54109.8 Ų109.845%0.44657%0.571SS.*Hα-helixtrans-63.1-49.9174.600000111.7L245 E246 A251 A252 D253L245-A249 PolarHBondContact O-N 3.24Å; E246-A249 PolarHBondContact O-N 3.31Å; A249-A251 PolarHBondContact O-N 3.24Å; A249-A252 WeakPolarHBondContact O-CB 3.21Å; A249-A252 PolarHBondContact O-N 3.28Å; A249-D253 PolarHBondContact O-N 3.43Å; A249-D253 VanDerWaalsContact O-N 3.13Å
250Q79.9Confident71.1Confident116 Ų116109.8 Ų109.854%0.54256%0.56SS.*Hα-helixtrans-59.6-31.4176.7-68.8177.512.400112.8E246 K254E246-Q250 WeakPolarHBondContact O-CG 3.38Å; E246-Q250 PolarHBondContact O-N 3.36Å; Q250-K254 WeakPolarHBondContact O-CB 3.36Å; Q250-K254 PolarHBondContact O-N 2.89Å; Q250-K254 VanDerWaalsContact O-N 3.16Å
251A79.9Confident70.7Confident55 Ų55106 Ų10646%0.45555%0.552SS.*Hα-helixtrans-70.1-33.6174.500000112.9K247 A248 A249 L255K247-A251 WeakPolarHBondContact O-CB 3.27Å; K247-A251 PolarHBondContact O-N 3.33Å; K247-A251 VanDerWaalsContact O-N 3.09Å; A248-A251 PolarHBondContact O-N 2.96Å; A249-A251 PolarHBondContact O-N 3.24Å; A251-L255 WeakPolarHBondContact O-CG 3.45Å; A251-L255 PolarHBondContact O-N 3.15Å
252A75.1Confident70Confident57 Ų57108.6 Ų108.647%0.47157%0.57SS.*Hα-helixtrans-70.7-48.9176.900000111.8A248 A249 K254 L255 R256A248-A252 PolarHBondContact O-N 2.88Å; A249-A252 WeakPolarHBondContact O-CB 3.21Å; A249-A252 PolarHBondContact O-N 3.28Å; A252-K254 VanDerWaalsContact C-N 3.3Å; A252-K254 PolarHBondContact O-N 3.02Å; A252-L255 PolarHBondContact O-N 3.11Å; A252-L255 VanDerWaalsContact O-N 3.13Å; A252-R256 PolarHBondContact O-N 2.9Å
253D74.9Confident69.6Low92 Ų92106 Ų10649%0.49257%0.573SS.*Hα-helixtrans-61.7-39.4177.7-72.7-41.6000111.6A249 L255 R256 E257A249-D253 PolarHBondContact O-N 3.43Å; A249-D253 VanDerWaalsContact O-N 3.13Å; D253-L255 PolarHBondContact O-N 3.23Å; D253-R256 CarbonylContact O-C 3.54Å; D253-R256 WeakPolarHBondContact O-CA 3.46Å; D253-R256 WeakPolarHBondContact O-CB 3.35Å; D253-R256 PolarHBondContact O-N 3.17Å; D253-E257 WeakPolarHBondContact O-CG 3.25Å; D253-E257 PolarHBondContact O-N 3.11Å
254K76.1Confident67.9Low137 Ų137108 Ų10860%0.59658%0.582SS**Hα-helixtrans-72.3-11.5178-161165.9-166.3164.40114.7Q250 A252 K258Q250-K254 WeakPolarHBondContact O-CB 3.36Å; Q250-K254 PolarHBondContact O-N 2.89Å; Q250-K254 VanDerWaalsContact O-N 3.16Å; A252-K254 VanDerWaalsContact C-N 3.3Å; A252-K254 PolarHBondContact O-N 3.02Å; K254-K258 WeakPolarHBondContact O-CG 3.48Å
255L71.9Confident66.3Low113 Ų113104.3 Ų104.359%0.59259%0.586SS**Hα-helixtrans-86.3-41.1164.7-73.8170.8000110.7A251 A252 D253 E257 K258 E259A251-L255 WeakPolarHBondContact O-CG 3.45Å; A251-L255 PolarHBondContact O-N 3.15Å; A252-L255 PolarHBondContact O-N 3.11Å; A252-L255 VanDerWaalsContact O-N 3.13Å; D253-L255 PolarHBondContact O-N 3.23Å; L255-E257 PolarHBondContact O-N 2.94Å; L255-K258 WeakPolarHBondContact O-CA 3.28Å; L255-K258 WeakPolarHBondContact O-CB 3.17Å; L255-K258 PolarHBondContact O-N 3.09Å; L255-E259 PolarHBondContact O-N 3.29Å
256R69.9Low64.8Low140 Ų140102.4 Ų102.453%0.52859%0.589SS.*Hα-helixtrans-61.2-42.4175.8-178179.4157.3-137.2-19.6112.6A252 D253 K258 E259 E260A252-R256 PolarHBondContact O-N 2.9Å; D253-R256 CarbonylContact O-C 3.54Å; D253-R256 WeakPolarHBondContact O-CA 3.46Å; D253-R256 WeakPolarHBondContact O-CB 3.35Å; D253-R256 PolarHBondContact O-N 3.17Å; R256-K258 PolarHBondContact O-N 2.92Å; R256-E259 PolarHBondContact O-N 3.4Å; R256-E259 VanDerWaalsContact O-N 3.13Å; R256-E260 HydrophobicContact CG-CG 4.42Å; R256-E260 IonicContact CZ-OE1 3.15Å; R256-E260 IonicContact NE-OE1 3.78Å; R256-E260 PolarHBondContact NE-OE1 2.89Å; R256-E260 IonicContact NH2-OE1 2.76Å; R256-E260 PolarHBondContact NH2-OE1 3.19Å; R256-E260 IonicContact NH2-OE2 2.68Å; R256-E260 WeakPolarHBondContact O-CB 3.46Å; R256-E260 WeakPolarHBondContact O-CG 3.3Å; R256-E260 PolarHBondContact O-N 2.94Å
257E65.5Low62.8Low126 Ų126106.9 Ų106.959%0.58961%0.606SS**Hα-helixtrans-58.1-31.7172.2-72.4-178.4148.100112.6D253 L255 S261D253-E257 WeakPolarHBondContact O-CG 3.25Å; D253-E257 PolarHBondContact O-N 3.11Å; L255-E257 PolarHBondContact O-N 2.94Å; E257-S261 VanDerWaalsContact O-CB 3.31Å; E257-S261 WeakPolarHBondContact O-CB 3.46Å; E257-S261 PolarHBondContact O-N 3.47Å; E257-S261 PolarHBondContact O-OG 3.15Å
258K66.4Low60.7Low139 Ų139110.9 Ų110.960%0.60462%0.617SS**Hα-helixtrans-77.1-33.3176.5-71.7178.7175.8-174.70112.8K254 L255 R256 S261 S262K254-K258 WeakPolarHBondContact O-CG 3.48Å; L255-K258 WeakPolarHBondContact O-CA 3.28Å; L255-K258 WeakPolarHBondContact O-CB 3.17Å; L255-K258 PolarHBondContact O-N 3.09Å; R256-K258 PolarHBondContact O-N 2.92Å; K258-S261 WeakPolarHBondContact CA-OG 3.5Å; K258-S261 PolarHBondContact O-OG 3.27Å; K258-S262 PolarHBondContact O-N 2.83Å
259E56.8Low58.9Low143 Ų143115.9 Ų115.967%0.66864%0.635SS**Hα-helixtrans-69.5-47170.7-65.8-167.6148.800110.6L255 R256 S261 S262 A263L255-E259 PolarHBondContact O-N 3.29Å; R256-E259 PolarHBondContact O-N 3.4Å; R256-E259 VanDerWaalsContact O-N 3.13Å; E259-S261 PolarHBondContact O-N 3.22Å; E259-S262 WeakPolarHBondContact O-CB 3.21Å; E259-S262 PolarHBondContact O-N 3.34Å; E259-S262 PolarHBondContact O-OG 2.86Å; E259-A263 PolarHBondContact O-N 2.82Å
260E51.7Low57Low101 Ų101119.5 Ų119.547%0.47265%0.645SS.*Hα-helixtrans-62.2-37.9178.8-70.9-179.7-172.300112.5R256 S262 A263R256-E260 HydrophobicContact CG-CG 4.42Å; R256-E260 IonicContact CZ-OE1 3.15Å; R256-E260 IonicContact NE-OE1 3.78Å; R256-E260 PolarHBondContact NE-OE1 2.89Å; R256-E260 IonicContact NH2-OE1 2.76Å; R256-E260 PolarHBondContact NH2-OE1 3.19Å; R256-E260 IonicContact NH2-OE2 2.68Å; R256-E260 WeakPolarHBondContact O-CB 3.46Å; R256-E260 WeakPolarHBondContact O-CG 3.3Å; R256-E260 PolarHBondContact O-N 2.94Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 2.81Å; E260-A263 PolarHBondContact O-N 2.92Å
261S49.5Very low55.1Low83 Ų83119.1 Ų119.158%0.5865%0.651SS**Hα-helixtrans-74.3-12.4174.652.60000114.8E257 K258 E259E257-S261 VanDerWaalsContact O-CB 3.31Å; E257-S261 WeakPolarHBondContact O-CB 3.46Å; E257-S261 PolarHBondContact O-N 3.47Å; E257-S261 PolarHBondContact O-OG 3.15Å; K258-S261 WeakPolarHBondContact CA-OG 3.5Å; K258-S261 PolarHBondContact O-OG 3.27Å; E259-S261 PolarHBondContact O-N 3.22Å
262S47.9Very low53.4Low94 Ų94122.1 Ų122.166%0.65767%0.666SS**Hα-helixtrans-83-21.717177.30000113.4K258 E259 E260K258-S262 PolarHBondContact O-N 2.83Å; E259-S262 WeakPolarHBondContact O-CB 3.21Å; E259-S262 PolarHBondContact O-N 3.34Å; E259-S262 PolarHBondContact O-OG 2.86Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 2.81Å
263A49.7Very low52Low80 Ų80127.2 Ų127.266%0.66168%0.68SS**THydrogen-bonded Turntrans-85-11.8-171.400000114.8E259 E260 G265E259-A263 PolarHBondContact O-N 2.82Å; E260-A263 PolarHBondContact O-N 2.92Å; A263-G265 VanDerWaalsContact C-N 3.33Å; A263-G265 PolarHBondContact O-N 2.9Å
264T41.5Very low50.7Low121 Ų121127.3 Ų127.374%0.74268%0.681SS**THydrogen-bonded Turntrans-84.5-3.9-17552.70000114.3A266T264-A266 PolarHBondContact O-N 3.39Å
265G42.9Very low49.6Very low77 Ų77125.4 Ų125.479%0.79469%0.685SS**SBendtrans-81.810.7-172.100000117.7A263A263-G265 VanDerWaalsContact C-N 3.33Å; A263-G265 PolarHBondContact O-N 2.9Å
266A39.6Very low48.8Very low89 Ų89125.8 Ų125.874%0.73669%0.686SS**  trans-142.7110.3-177.100000114.1T264T264-A266 PolarHBondContact O-N 3.39Å
267K39.6Very low48.2Very low209 Ų209122.2 Ų122.291%0.90969%0.687SS**  trans-138.9106.7163.9-82.1-170.8175.5-178.70111
268R40.4Very low48Very low240 Ų240120 Ų12091%0.90668%0.683SS**  trans-143.4146.3157.8-67.3-167.8179.3177.20.9109.2
269N42.5Very low48Very low168 Ų168117.1 Ų117.190%0.89868%0.68SS**  trans-38.6133.6-168.9-50.6-18.8000116.6
270I36.1Very low48.5Very low129 Ų129114.7 Ų114.766%0.66267%0.67SS**  trans-140.9146.3164.5-56-177.4000109.7D274I270-D274 HydrophobicContact CG2-CB 3.87Å; I270-D274 WeakPolarHBondContact CG2-OD2 3.03Å
271T40Very low49.6Very low108 Ų108119.7 Ų119.766%0.66369%0.685SS**  trans-79.1167.8178.428.30000113.6E273T271-E273 VanDerWaalsContact C-N 3.28Å; T271-E273 PolarHBondContact O-N 3.02Å
272P43.8Very low50.6Low119 Ų119120.8 Ų120.877%0.77368%0.684SS**THydrogen-bonded Turntrans-71.6-2.4-16426.8-36000117.7
273E45.4Very low51.3Low163 Ų163118.6 Ų118.676%0.76267%0.671SS**THydrogen-bonded Turntrans-78.9-38-176.5-68.3-72.5105.900113.7T271 S275T271-E273 VanDerWaalsContact C-N 3.28Å; T271-E273 PolarHBondContact O-N 3.02Å; E273-S275 PolarHBondContact O-N 3.41Å; E273-S275 VanDerWaalsContact O-N 3.09Å
274D47Very low52.2Low94 Ų94122.4 Ų122.450%0.50367%0.669SS.*THydrogen-bonded Turntrans-74.7-2.9-167.1-76.2-53.2000115.3I270 I276 P278I270-D274 HydrophobicContact CG2-CB 3.87Å; I270-D274 WeakPolarHBondContact CG2-OD2 3.03Å; D274-I276 PolarHBondContact O-N 3.49Å; D274-P278 WeakPolarHBondContact O-CD 3.49Å
275S52.5Low53.8Low97 Ų97123.1 Ų123.168%0.67866%0.662SS**THydrogen-bonded Turntrans-65.9-24.2-175.2-167.30000113.8E273E273-S275 PolarHBondContact O-N 3.41Å; E273-S275 VanDerWaalsContact O-N 3.09Å
276I55.5Low55Low122 Ų122123.6 Ų123.663%0.62665%0.647SS**Hα-helixtrans-77.5-37-175-58.1175000111.7D274 S279 M280D274-I276 PolarHBondContact O-N 3.49Å; I276-S279 WeakPolarHBondContact O-CB 3.4Å; I276-S279 PolarHBondContact O-N 2.94Å; I276-M280 HydrophobicContact CG2-CG 4.01Å; I276-M280 WeakPolarHBondContact O-CG 3.37Å; I276-M280 PolarHBondContact O-N 2.84Å
277A58.3Low56.4Low65 Ų65123.6 Ų123.654%0.53763%0.634SS.*Hα-helixtrans-65.2-42.2-173.700000114.3S279 R281A277-S279 PolarHBondContact O-N 3.47Å; A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 3.27Å
278P60.3Low58.1Low79 Ų79117 Ų11751%0.51361%0.606SS.*Hα-helixtrans-61.6-40.3172.7-24.634.6000113.1D274 R281 L282D274-P278 WeakPolarHBondContact O-CD 3.49Å; P278-R281 PolarHBondContact O-N 3.24Å; P278-L282 PolarHBondContact O-N 2.65Å
279S67.9Low59.5Low78 Ų78110.9 Ų110.955%0.54559%0.588SS.*Hα-helixtrans-63.1-49.1178.7-175.40000111.4I276 A277 R281 L282 A283I276-S279 WeakPolarHBondContact O-CB 3.4Å; I276-S279 PolarHBondContact O-N 2.94Å; A277-S279 PolarHBondContact O-N 3.47Å; S279-R281 VanDerWaalsContact C-N 3.34Å; S279-R281 PolarHBondContact O-N 3.33Å; S279-L282 PolarHBondContact O-N 3.27Å; S279-A283 PolarHBondContact O-N 3.25Å
280M65.9Low60.7Low92 Ų92108 Ų10845%0.45357%0.569SS.*Hα-helixtrans-61.6-40.8175.2-69.3-61.9-66.600112I276 L282 A283 Y284I276-M280 HydrophobicContact CG2-CG 4.01Å; I276-M280 WeakPolarHBondContact O-CG 3.37Å; I276-M280 PolarHBondContact O-N 2.84Å; M280-L282 VanDerWaalsContact C-N 3.34Å; M280-L282 PolarHBondContact O-N 2.86Å; M280-A283 PolarHBondContact O-N 3.05Å; M280-Y284 HydrophobicContact CE-CE2 4.03Å; M280-Y284 WeakPolarHBondContact O-CD2 3.38Å; M280-Y284 PolarHBondContact O-N 2.81Å
281R74.4Confident62.6Low206 Ų206107.2 Ų107.278%0.77756%0.558SS**Hα-helixtrans-65.5-35178.7-166.9176-173.2123.50.7112.7A277 P278 S279 K285A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 3.27Å; P278-R281 PolarHBondContact O-N 3.24Å; S279-R281 VanDerWaalsContact C-N 3.34Å; S279-R281 PolarHBondContact O-N 3.33Å; R281-K285 PolarHBondContact O-N 3.16Å; R281-K285 VanDerWaalsContact O-N 3.15Å
282L70.9Confident64.3Low107 Ų107107.1 Ų107.156%0.5655%0.548SS*.Hα-helixtrans-66.1-47.3170.6-89.1160.2000111.5P278 S279 M280 Y284 K285 D286P278-L282 PolarHBondContact O-N 2.65Å; S279-L282 PolarHBondContact O-N 3.27Å; M280-L282 VanDerWaalsContact C-N 3.34Å; M280-L282 PolarHBondContact O-N 2.86Å; L282-Y284 VanDerWaalsContact C-N 3.32Å; L282-Y284 PolarHBondContact O-N 3.16Å; L282-K285 WeakPolarHBondContact O-CB 3.49Å; L282-K285 PolarHBondContact O-N 2.94Å; L282-D286 PolarHBondContact O-N 3.18Å
283A63.3Low65.6Low48 Ų48105 Ų10540%0.39753%0.529SS..Hα-helixtrans-57.7-41.9177.600000112.7S279 M280 D286 L287S279-A283 PolarHBondContact O-N 3.25Å; M280-A283 PolarHBondContact O-N 3.05Å; A283-D286 PolarHBondContact O-N 3.4Å; A283-L287 VanDerWaalsContact O-CG 3.31Å; A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 2.62Å; A283-L287 VanDerWaalsContact O-N 3.07Å
284Y68.8Low66.6Low159 Ų15998.5 Ų98.562%0.62451%0.507SS*.Hα-helixtrans-65.4-37.9173.5-74.5-62.3000113M280 L282 L287 E288M280-Y284 HydrophobicContact CE-CE2 4.03Å; M280-Y284 WeakPolarHBondContact O-CD2 3.38Å; M280-Y284 PolarHBondContact O-N 2.81Å; L282-Y284 VanDerWaalsContact C-N 3.32Å; L282-Y284 PolarHBondContact O-N 3.16Å; Y284-L287 PolarHBondContact O-N 3.1Å; Y284-E288 WeakPolarHBondContact O-CB 3.26Å; Y284-E288 PolarHBondContact O-N 3.32Å
285K74.4Confident67.7Low137 Ų13797.8 Ų97.860%0.59650%0.5SS*.Hα-helixtrans-65.3-41.1177-168.6-175.1177-167.80111.6R281 L282 E288 Q289R281-K285 PolarHBondContact O-N 3.16Å; R281-K285 VanDerWaalsContact O-N 3.15Å; L282-K285 WeakPolarHBondContact O-CB 3.49Å; L282-K285 PolarHBondContact O-N 2.94Å; K285-E288 PolarHBondContact O-N 3.49Å; K285-Q289 WeakPolarHBondContact O-CB 3.41Å; K285-Q289 PolarHBondContact O-N 2.65Å
286D68.6Low68.4Low87 Ų87100 Ų10047%0.46550%0.5SS..Hα-helixtrans-65.8-40.9176.2-83.311000112L282 A283 Q289 Q290L282-D286 PolarHBondContact O-N 3.18Å; A283-D286 PolarHBondContact O-N 3.4Å; D286-Q289 PolarHBondContact O-N 2.93Å; D286-Q290 WeakPolarHBondContact O-CB 3.4Å; D286-Q290 WeakPolarHBondContact O-CG 3.1Å; D286-Q290 PolarHBondContact O-N 3.39Å
287L69.5Low68.9Low88 Ų88101.3 Ų101.346%0.46150%0.501SS..Hα-helixtrans-64.6-42.3174.8-71.2169.8000112.1A283 Y284 Q289 Q290 R291 M318A283-L287 VanDerWaalsContact O-CG 3.31Å; A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 2.62Å; A283-L287 VanDerWaalsContact O-N 3.07Å; Y284-L287 PolarHBondContact O-N 3.1Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.77Å; L287-Q290 PolarHBondContact O-N 3.48Å; L287-R291 PolarHBondContact O-N 3.43Å; L287-M318 HydrophobicContact CD2-CE 4.28Å
288E74.8Confident69Low72 Ų72100.3 Ų100.334%0.33649%0.486SS..Hα-helixtrans-61.2-39.4174.1-175.267.1-148.900111.5Y284 K285 R291 K292Y284-E288 WeakPolarHBondContact O-CB 3.26Å; Y284-E288 PolarHBondContact O-N 3.32Å; K285-E288 PolarHBondContact O-N 3.49Å; E288-R291 VanDerWaalsContact CD-NH1 3.29Å; E288-R291 IonicContact OE1-CZ 3.62Å; E288-R291 IonicContact OE1-NH1 3.69Å; E288-R291 PolarHBondContact OE1-NH1 2.95Å; E288-R291 IonicContact OE1-NH2 3.61Å; E288-R291 PolarHBondContact OE1-NH2 3.03Å; E288-R291 IonicContact OE2-CZ 2.78Å; E288-R291 IonicContact OE2-NH1 3.43Å; E288-R291 PolarHBondContact OE2-NH1 3.05Å; E288-R291 IonicContact OE2-NH2 3.56Å; E288-K292 WeakPolarHBondContact O-CG 3.35Å; E288-K292 PolarHBondContact O-N 3.24Å; E288-K292 VanDerWaalsContact O-N 3.13Å; E288-K292 VanDerWaalsContact OE1-CE 3.28Å; E288-K292 WeakPolarHBondContact OE1-CE 3.37Å; E288-K292 IonicContact OE1-NZ 2.7Å; E288-K292 PolarHBondContact OE1-NZ 3.37Å
289Q70Confident69.2Low110 Ų110104.6 Ų104.651%0.51450%0.497SS..Hα-helixtrans-70.4-41.2176.4-174.8162.7-40.600112.2K285 D286 L287 K292 I293K285-Q289 WeakPolarHBondContact O-CB 3.41Å; K285-Q289 PolarHBondContact O-N 2.65Å; D286-Q289 PolarHBondContact O-N 2.93Å; L287-Q289 VanDerWaalsContact C-N 3.31Å; L287-Q289 PolarHBondContact O-N 2.77Å; Q289-K292 PolarHBondContact O-N 3.22Å; Q289-I293 HydrophobicContact CG-CD1 4.18Å; Q289-I293 WeakPolarHBondContact O-CG1 3.42Å; Q289-I293 PolarHBondContact O-N 3.45Å
290Q67.6Low68.8Low107 Ų107104 Ų10450%0.550%0.503SS..Hα-helixtrans-63.5-39.6173.2-73.7-179.223.500112D286 L287 I293 G294D286-Q290 WeakPolarHBondContact O-CB 3.4Å; D286-Q290 WeakPolarHBondContact O-CG 3.1Å; D286-Q290 PolarHBondContact O-N 3.39Å; L287-Q290 PolarHBondContact O-N 3.48Å; Q290-I293 PolarHBondContact O-N 2.83Å; Q290-G294 PolarHBondContact O-N 3.38Å
291R75.2Confident68.5Low114 Ų114102.9 Ų102.943%0.4350%0.499SS..Hα-helixtrans-60.4-47.3174.7-158.2-171.872.9-115.5-12.3110.9L287 E288 I293 G294 E295L287-R291 PolarHBondContact O-N 3.43Å; E288-R291 VanDerWaalsContact CD-NH1 3.29Å; E288-R291 IonicContact OE1-CZ 3.62Å; E288-R291 IonicContact OE1-NH1 3.69Å; E288-R291 PolarHBondContact OE1-NH1 2.95Å; E288-R291 IonicContact OE1-NH2 3.61Å; E288-R291 PolarHBondContact OE1-NH2 3.03Å; E288-R291 IonicContact OE2-CZ 2.78Å; E288-R291 IonicContact OE2-NH1 3.43Å; E288-R291 PolarHBondContact OE2-NH1 3.05Å; E288-R291 IonicContact OE2-NH2 3.56Å; R291-I293 PolarHBondContact O-N 2.9Å; R291-G294 CarbonylContact O-C 3.59Å; R291-G294 WeakPolarHBondContact O-CA 3.31Å; R291-G294 PolarHBondContact O-N 3.06Å; R291-G294 VanDerWaalsContact O-N 3.1Å; R291-E295 IonicContact CZ-OE1 3.97Å; R291-E295 IonicContact NE-OE1 3.08Å; R291-E295 PolarHBondContact NE-OE1 2.76Å; R291-E295 IonicContact NH2-OE1 3.53Å; R291-E295 WeakPolarHBondContact O-CG 3.43Å; R291-E295 PolarHBondContact O-N 3.14Å
292K75.3Confident68.1Low105 Ų105100.8 Ų100.846%0.45750%0.498SS..Hα-helixtrans-61.8-37.7176.6-73.8171.9-177.8168.90113.4E288 Q289 E295 Q296E288-K292 WeakPolarHBondContact O-CG 3.35Å; E288-K292 PolarHBondContact O-N 3.24Å; E288-K292 VanDerWaalsContact O-N 3.13Å; E288-K292 VanDerWaalsContact OE1-CE 3.28Å; E288-K292 WeakPolarHBondContact OE1-CE 3.37Å; E288-K292 IonicContact OE1-NZ 2.7Å; E288-K292 PolarHBondContact OE1-NZ 3.37Å; Q289-K292 PolarHBondContact O-N 3.22Å; K292-E295 PolarHBondContact O-N 3.07Å; K292-Q296 WeakPolarHBondContact O-CB 3.01Å; K292-Q296 WeakPolarHBondContact O-CG 3.17Å; K292-Q296 PolarHBondContact O-N 2.84Å
293I72.1Confident68.1Low74 Ų7498 Ų9838%0.37950%0.495SS..Hα-helixtrans-66.6-37.9173.7-68.6164.3000111Q289 Q290 R291 K297Q289-I293 HydrophobicContact CG-CD1 4.18Å; Q289-I293 WeakPolarHBondContact O-CG1 3.42Å; Q289-I293 PolarHBondContact O-N 3.45Å; Q290-I293 PolarHBondContact O-N 2.83Å; R291-I293 PolarHBondContact O-N 2.9Å; I293-K297 HydrophobicContact CG2-CD 4.28Å; I293-K297 WeakPolarHBondContact O-CG 3.27Å; I293-K297 PolarHBondContact O-N 3.41Å
294G65.8Low68.1Low28 Ų28103.9 Ų103.929%0.28951%0.512SS..Hα-helixtrans-64.2-48.2172.500000112.7Q290 R291 Q296 K297 L298Q290-G294 PolarHBondContact O-N 3.38Å; R291-G294 CarbonylContact O-C 3.59Å; R291-G294 WeakPolarHBondContact O-CA 3.31Å; R291-G294 PolarHBondContact O-N 3.06Å; R291-G294 VanDerWaalsContact O-N 3.1Å; G294-Q296 VanDerWaalsContact C-N 3.35Å; G294-Q296 PolarHBondContact O-N 3.34Å; G294-K297 PolarHBondContact O-N 3.35Å; G294-L298 PolarHBondContact O-N 3.49Å
295E69.9Low67.8Low79 Ų79103.3 Ų103.337%0.36951%0.512SS..Hα-helixtrans-58.2-43175.3-71.4169-150.200111.9R291 K292 L298 K299R291-E295 IonicContact CZ-OE1 3.97Å; R291-E295 IonicContact NE-OE1 3.08Å; R291-E295 PolarHBondContact NE-OE1 2.76Å; R291-E295 IonicContact NH2-OE1 3.53Å; R291-E295 WeakPolarHBondContact O-CG 3.43Å; R291-E295 PolarHBondContact O-N 3.14Å; K292-E295 PolarHBondContact O-N 3.07Å; E295-L298 PolarHBondContact O-N 3.13Å; E295-K299 WeakPolarHBondContact O-CG 3.21Å; E295-K299 PolarHBondContact O-N 2.84Å
296Q68.9Low67.4Low143 Ų143100.9 Ų100.967%0.66850%0.502SS*.Hα-helixtrans-64.3-42.1175.4-78.4-178.2-12.600112.5K292 G294 L298 K299K292-Q296 WeakPolarHBondContact O-CB 3.01Å; K292-Q296 WeakPolarHBondContact O-CG 3.17Å; K292-Q296 PolarHBondContact O-N 2.84Å; G294-Q296 VanDerWaalsContact C-N 3.35Å; G294-Q296 PolarHBondContact O-N 3.34Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 3.41Å; Q296-K299 PolarHBondContact O-N 3.28Å
297K64.7Low67.2Low150 Ų150102.3 Ų102.365%0.65251%0.506SS*.Hα-helixtrans-64.3-35.7175.2-74.1172.5-179.9178.60112.3I293 G294 G300I293-K297 HydrophobicContact CG2-CD 4.28Å; I293-K297 WeakPolarHBondContact O-CG 3.27Å; I293-K297 PolarHBondContact O-N 3.41Å; G294-K297 PolarHBondContact O-N 3.35Å; K297-G300 PolarHBondContact O-N 3.45Å
298L60.5Low66.7Low43 Ų43104.1 Ų104.123%0.22551%0.512CS..Hα-helixtrans-75.5-28.2175.7-76.6163.8000113.3G294 E295 Q296 G300 L301 K306G294-L298 PolarHBondContact O-N 3.49Å; E295-L298 PolarHBondContact O-N 3.13Å; Q296-L298 VanDerWaalsContact C-N 3.31Å; Q296-L298 PolarHBondContact O-N 3.41Å; L298-G300 PolarHBondContact O-N 3.41Å; L298-L301 PolarHBondContact O-N 3.01Å; L298-L301 VanDerWaalsContact O-N 3.17Å; L298-K306 HydrophobicContact CD2-CG 3.83Å
299K65.1Low66.1Low169 Ų169101.6 Ų101.674%0.73550%0.503SS*.THydrogen-bonded Turntrans-67.6-13.5172.3-81.2178.7175.4179.20114.1E295 Q296E295-K299 WeakPolarHBondContact O-CG 3.21Å; E295-K299 PolarHBondContact O-N 2.84Å; Q296-K299 PolarHBondContact O-N 3.28Å
300G59.8Low66Low65 Ų65102.5 Ų102.567%0.6751%0.507SS*.THydrogen-bonded Turntrans-87.8-0.1171.300000114.9K297 L298K297-G300 PolarHBondContact O-N 3.45Å; L298-G300 PolarHBondContact O-N 3.41Å
301L59.5Low65.8Low70 Ų70107.7 Ų107.737%0.36652%0.522SS..  trans-130.195.5-172.6-70173.2000111.1L298 K306L298-L301 PolarHBondContact O-N 3.01Å; L298-L301 VanDerWaalsContact O-N 3.17Å; L301-K306 WeakPolarHBondContact O-CB 3.33Å
302E65.3Low65.5Low162 Ų162108.3 Ų108.376%0.75753%0.533SS*.  trans-83.1148.9176.6-81.9-60133.800113.5
303G71.4Confident64.7Low49 Ų49105.1 Ų105.151%0.50553%0.53SS..THydrogen-bonded Turntrans61.8-150.4174.200000115.9K305 K306G303-K305 PolarHBondContact O-N 3.35Å; G303-K306 WeakPolarHBondContact O-CB 3.46Å; G303-K306 PolarHBondContact O-N 2.83Å
304K63.7Low64Low171 Ų171109 Ų10974%0.74355%0.548SS*.Hα-helixtrans-56.7-19.4-167.6-62-175.9179.1-176.90115.7K306 Q308K304-K306 VanDerWaalsContact C-N 3.34Å; K304-Q308 WeakPolarHBondContact O-CG 3.36Å; K304-Q308 PolarHBondContact O-N 3.22Å; K304-Q308 VanDerWaalsContact O-N 3.13Å
305K62.4Low63.3Low146 Ų146109 Ų10964%0.63555%0.548SS*.Hα-helixtrans-69.6-30.4173.7-76.8-175.9175.2178.90112.7G303 A309G303-K305 PolarHBondContact O-N 3.35Å; K305-A309 WeakPolarHBondContact O-CB 3.33Å; K305-A309 PolarHBondContact O-N 3.11Å
306K65.6Low62.5Low87 Ų87112.8 Ų112.838%0.37857%0.57SS.*Hα-helixtrans-64.4-52.8175.9-165.6-179.3177.2-1790110.8L298 L301 G303 K304 Q308 A309 E310L298-K306 HydrophobicContact CD2-CG 3.83Å; L301-K306 WeakPolarHBondContact O-CB 3.33Å; G303-K306 WeakPolarHBondContact O-CB 3.46Å; G303-K306 PolarHBondContact O-N 2.83Å; K304-K306 VanDerWaalsContact C-N 3.34Å; K306-Q308 VanDerWaalsContact C-N 3.3Å; K306-Q308 PolarHBondContact O-N 3.09Å; K306-A309 PolarHBondContact O-N 3.03Å; K306-A309 VanDerWaalsContact O-N 3.09Å; K306-E310 WeakPolarHBondContact O-CB 3.35Å; K306-E310 PolarHBondContact O-N 3.21Å
307E63.5Low61.3Low117 Ų117109.3 Ų109.355%0.54757%0.573SS.*Hα-helixtrans-58.5-40176.2-169.4-170.2167.200111.7R311E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 PolarHBondContact O-N 3.15Å
308Q59.9Low60.3Low126 Ų126108.6 Ų108.659%0.58957%0.573SS**Hα-helixtrans-66.7-40.9173-76.9-174.3-26.300113.2K304 K306 E310 R311 L312K304-Q308 WeakPolarHBondContact O-CG 3.36Å; K304-Q308 PolarHBondContact O-N 3.22Å; K304-Q308 VanDerWaalsContact O-N 3.13Å; K306-Q308 VanDerWaalsContact C-N 3.3Å; K306-Q308 PolarHBondContact O-N 3.09Å; Q308-E310 VanDerWaalsContact C-N 3.33Å; Q308-E310 PolarHBondContact O-N 2.98Å; Q308-R311 PolarHBondContact O-N 2.82Å; Q308-L312 VanDerWaalsContact O-CB 3.26Å; Q308-L312 WeakPolarHBondContact O-CB 3.17Å; Q308-L312 WeakPolarHBondContact O-CD1 3.42Å; Q308-L312 WeakPolarHBondContact O-CG 3.31Å; Q308-L312 PolarHBondContact O-N 3.17Å
309A62.9Low59.6Low18 Ų18117.3 Ų117.315%0.14960%0.603CS.*Hα-helixtrans-65.6-37.1177.400000112.2K305 K306 G313 M314K305-A309 WeakPolarHBondContact O-CB 3.33Å; K305-A309 PolarHBondContact O-N 3.11Å; K306-A309 PolarHBondContact O-N 3.03Å; K306-A309 VanDerWaalsContact O-N 3.09Å; A309-G313 PolarHBondContact O-N 3.03Å; A309-M314 WeakPolarHBondContact O-CB 3.06Å; A309-M314 PolarHBondContact O-N 2.82Å
310E66.1Low58.5Low130 Ų130114.2 Ų114.261%0.60760%0.603SS**Hα-helixtrans-66.2-48.6173.3-170.7165.8-167.900111.2K306 Q308 L312 G313K306-E310 WeakPolarHBondContact O-CB 3.35Å; K306-E310 PolarHBondContact O-N 3.21Å; Q308-E310 VanDerWaalsContact C-N 3.33Å; Q308-E310 PolarHBondContact O-N 2.98Å; E310-L312 VanDerWaalsContact C-N 3.26Å; E310-L312 PolarHBondContact O-N 2.88Å; E310-G313 WeakPolarHBondContact O-CA 3.29Å; E310-G313 PolarHBondContact O-N 3.02Å
311R64.6Low58Low215 Ų215114.9 Ų114.981%0.81161%0.61SS**Hα-helixtrans-66.7-22.5176.7-163.5175.4-170.31172.3114.1E307 Q308 G313E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 PolarHBondContact O-N 3.15Å; Q308-R311 PolarHBondContact O-N 2.82Å; R311-G313 VanDerWaalsContact C-N 3.33Å
312L68.4Low57.2Low128 Ų128117.6 Ų117.667%0.6763%0.629SS**THydrogen-bonded Turntrans-85.4-2.2170.2-71.8167.7000113.1Q308 E310Q308-L312 VanDerWaalsContact O-CB 3.26Å; Q308-L312 WeakPolarHBondContact O-CB 3.17Å; Q308-L312 WeakPolarHBondContact O-CD1 3.42Å; Q308-L312 WeakPolarHBondContact O-CG 3.31Å; Q308-L312 PolarHBondContact O-N 3.17Å; E310-L312 VanDerWaalsContact C-N 3.26Å; E310-L312 PolarHBondContact O-N 2.88Å
313G58.2Low56Low37 Ų37115.2 Ų115.238%0.38163%0.63SS.*THydrogen-bonded Turntrans70.435.5177.600000113.9A309 E310 R311A309-G313 PolarHBondContact O-N 3.03Å; E310-G313 WeakPolarHBondContact O-CA 3.29Å; E310-G313 PolarHBondContact O-N 3.02Å; R311-G313 VanDerWaalsContact C-N 3.33Å
314M57.3Low54.7Low156 Ų156121.5 Ų121.577%0.76865%0.646SS**  trans-93.5-4.8172.3-61.3-176.167.100113.2A309A309-M314 WeakPolarHBondContact O-CB 3.06Å; A309-M314 PolarHBondContact O-N 2.82Å
315G51.4Low53.8Low28 Ų28118.9 Ų118.929%0.28965%0.649SS.*SBendtrans-113.3132.6172.600000111.5
316L52.7Low53.1Low159 Ų159119 Ų11983%0.83266%0.662SS**SBendtrans60.7139.6176.3-73.375.3000117.3
317G44Very low52.2Low69 Ų69123.3 Ų123.371%0.71169%0.685SS**  trans95.111716000000116.7
318M43.7Very low51.3Low136 Ų136123.3 Ų123.367%0.6770%0.699SS**  trans-61.6133.5160.6-73.774.177.100109.7L287 S320L287-M318 HydrophobicContact CD2-CE 4.28Å; M318-S320 PolarHBondContact O-N 3.21Å
319R46.4Very low50.6Low226 Ų226124 Ų12485%0.85371%0.706SS**  trans-78.460.8170.2-63.6-176.2-171.4-101.8-0.9111.3
320S42.6Very low49.6Very low103 Ų103131.5 Ų131.572%0.7274%0.74SS**  trans-105.2106.1162.2-1720000107.1M318 V322M318-S320 PolarHBondContact O-N 3.21Å; S320-V322 PolarHBondContact O-N 2.9Å
321G48.8Very low48.9Very low80 Ų80132.9 Ų132.983%0.82575%0.747SS**  trans-77.4119.2-164.800000114
322V43.4Very low48.1Very low127 Ų127129.9 Ų129.977%0.7775%0.745SS**  trans-138.8137.1161.7-179.30000108.3S320S320-V322 PolarHBondContact O-N 2.9Å
323S39.4Very low47.1Very low111 Ų111131.2 Ų131.278%0.77675%0.751SS**  trans22.8131.1164.7-52.10000121.6
324H43Very low46.5Very low182 Ų182137.7 Ų137.784%0.84377%0.772SS**SBendtrans-69.4157.8157.8-75.9-107.7000111.6
325S44.5Very low45.5Very low116 Ų116139 Ų13981%0.81178%0.776SS**  trans65.9103.1166.6-55.20000117.2
326V48.2Very low45.1Very low148 Ų148146.6 Ų146.690%0.89780%0.804SS**SBendtrans-166.8-15148.8123.80000113.8
327M46.5Very low44.6Very low177 Ų177143.6 Ų143.687%0.87280%0.796SS**  trans-119.593.4180-52-161.890.300112.4
328S45.1Very low44.6Very low118 Ų118146.6 Ų146.683%0.82580%0.803SS**SBendtrans-155.9149.5166.6-65.20000108.1M330S328-M330 PolarHBondContact O-N 3.2Å
329D45Very low44.1Very low141 Ų141148.3 Ų148.375%0.75481%0.814SS**  trans-64.9124.7-157-60.7-72.2000115.8H331D329-H331 PolarHBondContact O-N 3.4Å; D329-H331 PolarHBondContact O-ND1 2.67Å
330M42.2Very low43.5Very low175 Ų175141.4 Ų141.486%0.86281%0.813SS**  trans-67.296.4175.6-177.8-177.172.100111.1S328S328-M330 PolarHBondContact O-N 3.2Å
331H50.7Low43.1Very low159 Ų159141 Ų14174%0.73682%0.816SS**  trans-85.4129171.7-75.166.2000110.7D329 I333D329-H331 PolarHBondContact O-N 3.4Å; D329-H331 PolarHBondContact O-ND1 2.67Å; H331-I333 PolarHBondContact O-N 2.98Å
332I47.9Very low42.5Very low151 Ų151147.2 Ų147.277%0.77482%0.82SS**  trans-78.9116.4176.9-59.2174.1000108.5
333I47.5Very low41.9Very low156 Ų156147.6 Ų147.680%0.882%0.823SS**  trans-84.1114.5172.5-59.7175.4000107.9H331H331-I333 PolarHBondContact O-N 2.98Å
334Q47.1Very low41.5Very low174 Ų174148.6 Ų148.681%0.81382%0.824SS**  trans-74.7133.1169.2-80.9-176.7-51.800110.3
335Q36.3Very low41.2Very low184 Ų184149.9 Ų149.986%0.8683%0.828SS**  trans-97.796.1178-176.9179.5-6.400109.7
336E42.8Very low40.5Very low186 Ų186148 Ų14887%0.86983%0.827SS**  trans-72.6147.9167.9-65.3-166.2147.700110.8
337S42.3Very low39.7Very low97 Ų97150.7 Ų150.768%0.67882%0.821SS**  trans-131.3123.2-176.447.80000111.4
338P42.9Very low39Very low131 Ų131151.7 Ų151.785%0.85182%0.815SS**  trans-85.4120.5179.231.6-32000111.4
339L34.6Very low38.3Very low173 Ų173153.4 Ų153.491%0.90681%0.808SS**  trans-120125.1170.3-77.5176.4000111.4
340G33.5Very low37.7Very low80 Ų80152.3 Ų152.383%0.82581%0.806SS**  trans113.5151.6168.900000115.2
341A33Very low37.3Very low96 Ų96150.1 Ų150.179%0.79379%0.794SS**  cis-158.1122.2-13.800000113.2
342K36.2Very low36.3Very low210 Ų210150.5 Ų150.591%0.91380%0.796SS**  trans31.4103151.3-64.6178.1175.2173.40121
343T31.3Very low35.6Very low134 Ų134149.9 Ų149.982%0.82279%0.794SS**  trans-156.8151.2148.744.90000108.6
344T31.8Very low34.9Very low132 Ų132150.2 Ų150.281%0.8179%0.793SS**  cis-159.4172.3-12.5-86.50000108.2
345K35.1Very low34.2Very low210 Ų210151.7 Ų151.791%0.91379%0.792SS**  trans-70.7147.7-175.1-65.8177.4177.5175.60115.5
346G30.6Very low34Very low77 Ų77149.4 Ų149.479%0.79479%0.786SS**  trans154.981.5159.900000112.2
347R31.9Very low33.3Very low204 Ų204143 Ų14377%0.7777%0.77SS**  89102.469.7-171.5-175.4-167.8-104.78114
348R31.7Very low32.8Very low197 Ų197145.1 Ų145.174%0.74378%0.779SS**  trans72.1137.7165.2-67.1-175.7177-174.1-4.7117.3
349F29.3Very low31.8Very low154 Ų154147.6 Ų147.668%0.67578%0.776SS**  cis99.9105.616.8-172.9-79.7000114.5E351F349-E351 HydrophobicContact CE1-CG 4.05Å; F349-E351 VanDerWaalsContact CE1-OE1 3.22Å; F349-E351 WeakPolarHBondContact CE1-OE1 3.43Å; F349-E351 WeakPolarHBondContact CE1-OE2 3.27Å; F349-E351 VanDerWaalsContact CZ-CD 3.47Å; F349-E351 HydrophobicContact CZ-CG 4.13Å; F349-E351 WeakPolarHBondContact CZ-OE1 3.42Å
350T34Very low31.4Very low118 Ų118142.7 Ų142.772%0.72476%0.757SS**  trans-168130.3138.135.20000103.9
351E32.3Very low31.2Very low130 Ų130143.4 Ų143.461%0.60775%0.749SS**  67.1133.161.3-61.1170.9148.600110F349F349-E351 HydrophobicContact CE1-CG 4.05Å; F349-E351 VanDerWaalsContact CE1-OE1 3.22Å; F349-E351 WeakPolarHBondContact CE1-OE1 3.43Å; F349-E351 WeakPolarHBondContact CE1-OE2 3.27Å; F349-E351 VanDerWaalsContact CZ-CD 3.47Å; F349-E351 HydrophobicContact CZ-CG 4.13Å; F349-E351 WeakPolarHBondContact CZ-OE1 3.42Å
352E31Very low31Very low167 Ų167149.3 Ų149.378%0.7875%0.751SS**  cis-135.2136.316.7-65.6174.6156.900108.8
353D32.9Very low30.5Very low137 Ų137146 Ų14673%0.73374%0.744SS**  77.2145.693.4-58.4-29.6000114.7
354E33.6Very low30.3Very low164 Ų164145 Ų14577%0.76674%0.736SS**  cis-146.7154.5-7.1-115.1179.6135.500108.3
355Y30.4Very low30Very low205 Ų205143.3 Ų143.380%0.80473%0.73SS**  28.9139.4104.5-86.3-102.4000117
356D32.6Very low29.6Very low136 Ų136143.5 Ų143.573%0.72773%0.725SS**  cis-152.4158.2-11.2-144.5-8.6000104.4
357G29Very low29.4Very low52 Ų52147.9 Ų147.954%0.53672%0.723SS.*  cis114.5145.946.100000110.1
358T30.3Very low29.2Very low141 Ų141144.5 Ų144.587%0.86572%0.716SS**  trans69.1147.7155.7-58.20000117.8
359F23.4Very low29Very low182 Ų182141 Ų14180%0.79871%0.712SS**  cis-168.4156.9-29.2172.4-122.9000109.7
360S26.3Very low29Very low70 Ų70141.2 Ų141.249%0.4972%0.715SS.*  trans71115.7158.9-93.70000124.2
361S28.3Very low28.7Very low96 Ų96141.4 Ų141.467%0.67172%0.716SS**  44117100.9-30.30000121.1
362R29.3Very low28.5Very low220 Ų220141.8 Ų141.883%0.8372%0.722SS**  137.5136.3116.9-79.3-173.6178.8177.60.5115.2
363N25.8Very low28.3Very low141 Ų141140 Ų14075%0.75472%0.723SS**  trans69.4154.9139.7-69.811.9000118.6
364V26.9Very low28.3Very low111 Ų111137.8 Ų137.867%0.67372%0.718SS**  cis-165.6160.4-16.4124.50000108.3
365S25.9Very low28.2Very low97 Ų97136.9 Ų136.968%0.67872%0.719SS**  trans69169.8165.783.40000115.3
366R26Very low28.1Very low214 Ų214131.7 Ų131.781%0.80871%0.712SS**  cis-171.3140.9-13-128.4-176.1-151.6131.2-7.5107
367F26.7Very low27.9Very low170 Ų170135 Ų13575%0.74672%0.72SS**  trans177148.1144.5-123.7-126.7000107.7
368E28.7Very low28Very low133 Ų133136.8 Ų136.862%0.62172%0.724SS**  60.8131.150.6-76.1149.6100.400111.4
369D26.9Very low28.1Very low123 Ų123138.2 Ų138.266%0.65872%0.724SS**  cis-140.9165.57.5-136.318.7000108.9
370Q28.3Very low28.3Very low159 Ų159140.5 Ų140.574%0.74373%0.727SS**  47.4135.276.2-120.2138.3125.700112.8
371T27.7Very low28.5Very low122 Ų122149.3 Ų149.375%0.74875%0.75SS**  cis-141.1178.722.348.40000114.9
372D29.1Very low28.6Very low138 Ų138147.8 Ų147.874%0.73875%0.749SS**  trans-66.9168.6175.5-42.1-107.4000117.9
373T27.5Very low28.6Very low129 Ų129145 Ų14579%0.79175%0.75SS**  -137.3114.6128.753.50000106.9
374S32.7Very low28.9Very low90 Ų90145.9 Ų145.963%0.62976%0.755SS**  57.7137.99592.10000113.6
375D29.6Very low29Very low146 Ų146143 Ų14378%0.78175%0.748SS**  cis-151.6174.424.4-85.7-70.3000110.3
376S29.7Very low29.2Very low95 Ų95144.1 Ų144.166%0.66476%0.756SS**  cis-171.3137.1-26.3173.80000108.2
377F28.3Very low29.4Very low206 Ų206139.9 Ų139.990%0.90476%0.759SS**  trans-155113.4164.9-162.9-100.4000112.2
378S31Very low29.4Very low89 Ų89135.9 Ų135.962%0.62277%0.765SS**  trans-99.3166171.8-62.10000110.1
379M31.6Very low29.4Very low172 Ų172133.6 Ų133.685%0.84778%0.778SS**  cis-132.5146.910.9-62.8173.5171.200108.6
380R28.1Very low29.3Very low230 Ų230130.8 Ų130.887%0.86878%0.778SS**  44.795.673.9-163.1-179.7-172.2-157.32.2115.1
381W30.7Very low29.3Very low255 Ų255135.2 Ų135.297%0.96679%0.788SS**  trans-72.8133.1154.2-85.677.4000109.7
382G30.3Very low29.5Very low63 Ų63137.2 Ų137.265%0.64979%0.793SS**  trans-99.6138.3169.400000110.6
383N28.5Very low29.6Very low161 Ų161138.2 Ų138.286%0.86179%0.791SS**  trans-113.296.1169.5179.1104.3000108.2
384D32.3Very low29.6Very low160 Ų160138.9 Ų138.986%0.85679%0.785SS**  trans-89170.7163.4-16511.3000109.8
385G29.9Very low29.6Very low52 Ų52138.6 Ų138.654%0.53678%0.783SS.*  trans-144.5-158.4-174.400000115.2
386S28.9Very low29.7Very low120 Ų120141 Ų14184%0.83979%0.786SS**  trans74.8131.5175.3-63.50000119.2
387S30.1Very low29.9Very low125 Ų125145.6 Ų145.687%0.87479%0.794SS**  trans81.1134.7143.9-61.60000121.2
388G27.1Very low30.7Very low85 Ų85141.5 Ų141.588%0.87679%0.789SS**  trans99.4132.1156.100000115.1
389G28.7Very low31Very low85 Ų85145.2 Ų145.288%0.87680%0.796SS**  trans-152.5160.6169.200000111.7
390G26Very low32.1Very low64 Ų64142.1 Ų142.166%0.6679%0.789SS**  trans130.9127.8160.500000118.1
391W28.2Very low32.2Very low252 Ų252137.5 Ų137.596%0.95578%0.782SS**  trans51.9105.8135.6-60.189.7000122.3
392L32.1Very low32.2Very low164 Ų164133.7 Ų133.786%0.85977%0.772SS**  -178.4134.4126.8-138.555.4000107.7
393K31.3Very low32.2Very low160 Ų160137.9 Ų137.970%0.69677%0.772SS**  cis104.2141.924.1-166178.1-174.7-71.20112.9
394E27.5Very low32.4Very low143 Ų143136.7 Ų136.767%0.66876%0.764SS**  trans70.4149.2-172.6-76-15.8-65.600117.5
395S32.8Very low32.3Very low84 Ų84134.1 Ų134.159%0.58776%0.758SS**  cis-161.6179-14.863.70000113
396K31.7Very low32.4Very low196 Ų196136.1 Ų136.185%0.85277%0.77SS**  trans69.185.9154.8-72.8-178.7178.2179.30121.6
397K32.9Very low32.5Very low191 Ų191134.7 Ų134.783%0.8377%0.765SS**  -13.6161.7123-91-167.2177.4-1650118.4
398P45.7Very low32.5Very low121 Ų121135.1 Ų135.179%0.78676%0.762SS**  cis-142.3166.638.841.8-23.1000120.6
399E37.2Very low32.7Very low167 Ų167136.3 Ų136.378%0.7876%0.757SS**  trans-109.4175.5157-54.8178.5140.600108.9
400P53.3Low32.8Very low106 Ų106136.9 Ų136.969%0.68875%0.747SS**  -137.6-175.884.341.6-26.3000112
401D32.2Very low33.1Very low134 Ų134142.3 Ų142.372%0.71775%0.753SS**  cis-142.7136.427.8-85.3-59.1000111
402F29.9Very low33.4Very low174 Ų174137.4 Ų137.476%0.76375%0.746SS**  61.6133.596-94.9-131.7000115.5
403F29.6Very low33.4Very low151 Ų151137 Ų13766%0.66274%0.744SS**  cis-159.4177.210.6-156.9-134.3000114.7
404M34.1Very low33.6Very low137 Ų137139.1 Ų139.168%0.67575%0.748SS**  trans-41.8170.7174.7-70.5170.659.600118.3
405S29.1Very low34.3Very low105 Ų105138.4 Ų138.473%0.73476%0.756SS**  cis-161-179.85.1-128.90000112.8
406A31.1Very low34.5Very low95 Ų95140.2 Ų140.279%0.78576%0.763SS**  trans-96.3159172.700000114.1
407A32Very low34.6Very low90 Ų90135.3 Ų135.374%0.74476%0.759SS**  trans178.6131.8131.400000115.5
408V31Very low34.7Very low134 Ų134137.9 Ų137.981%0.81276%0.763SS**  trans32.8148.5146.5-48.30000125.6
409S30.2Very low34.3Very low109 Ų109143.8 Ų143.876%0.76277%0.77SS**  trans100.5105.5137.673.40000122.8
410S30.1Very low34Very low97 Ų97144.9 Ų144.968%0.67877%0.772SS**  77.9146.4125-128.60000125.1
411F34.1Very low33.2Very low179 Ų179144.8 Ų144.879%0.78577%0.774SS**  trans69.1101.8158.4-64.4-62000122.3
412D33.9Very low33.2Very low148 Ų148145.5 Ų145.579%0.79178%0.778SS**  76.9151.8125.6-89.2-55.3000125.9
413D31.7Very low33.5Very low156 Ų156144.7 Ų144.783%0.83478%0.781SS**  trans77.2162.7163.1-115.2-45.9000122.9
414R35.7Very low34.1Very low204 Ų204143.1 Ų143.177%0.7779%0.786SS**  trans-124.2139.5-146.6176.3170.4-177.4-148.83.5111.8
415P41.4Very low34.2Very low128 Ų128142.5 Ų142.583%0.83180%0.795SS**  -148.3173.110336.1-17000117.1
416V37.9Very low34.7Very low122 Ų122147.7 Ų147.774%0.73980%0.8SS**  trans-82.7128.7-172176.10000112.6
417A33.4Very low35.1Very low93 Ų93148 Ų14877%0.76980%0.796SS**  trans-127.8118165.200000111.5R419A417-R419 PolarHBondContact O-N 3.19Å
418R35.6Very low35.9Very low245 Ų245150.2 Ų150.293%0.92580%0.796SS**  trans-82.8100.2-172.2-177.8-175.8-170.6168.62.3111.2
419R36.2Very low37.1Very low246 Ų246148.5 Ų148.593%0.92879%0.79SS**  trans-71.1148.1168.4-71.6-170.3-177.3171.83.5110.9A417A417-R419 PolarHBondContact O-N 3.19Å
420K31.2Very low38.7Very low189 Ų189144.7 Ų144.782%0.82277%0.768SS**  trans-105.3146.5-173-153.7170-178-1770108.8
421S36.7Very low40.5Very low104 Ų104144.7 Ų144.773%0.72776%0.757SS**  trans-120.7123.2173.356.20000108.3
422D33.1Very low41.9Very low150 Ų150137.7 Ų137.780%0.80273%0.732SS**  trans-75.8148-174.4-57.5-67000112.4
423L36Very low43.7Very low156 Ų156136.7 Ų136.782%0.81772%0.723SS**  trans-134.1150.9174.5-85.8167.5000108.2
424P41.4Very low45.7Very low119 Ų119138.2 Ų138.277%0.77372%0.722SS**PPolyproline II helixtrans-66.8147-169.427-35.1000112.5Y426P424-Y426 PolarHBondContact O-N 3.08Å
425S35.3Very low47.3Very low124 Ų124133.9 Ų133.987%0.86771%0.709SS**PPolyproline II helixtrans-64.5120.8177-1760000110.9
426Y40Very low48.8Very low213 Ų213131 Ų13184%0.83568%0.683SS**PPolyproline II helixtrans-95.2133.6164.5-152-90.1000107.9P424 D428P424-Y426 PolarHBondContact O-N 3.08Å; Y426-D428 PolarHBondContact O-N 2.83Å; Y426-D428 VanDerWaalsContact O-N 3.13Å
427S39.5Very low50.5Low101 Ų101127 Ų12771%0.70667%0.667SS**  trans-70.2108.3-177.854.60000110.8S429S427-S429 PolarHBondContact O-N 3.08Å; S427-S429 VanDerWaalsContact O-N 3.15Å
428D48.9Very low52.4Low137 Ų137125.3 Ų125.373%0.73366%0.658SS**  trans-70.6106.2177.6-177.320.7000111.3Y426 G430Y426-D428 PolarHBondContact O-N 2.83Å; Y426-D428 VanDerWaalsContact O-N 3.13Å; D428-G430 PolarHBondContact O-N 3.16Å; D428-G430 VanDerWaalsContact O-N 3.1Å
429S56.3Low53.8Low98 Ų98121.3 Ų121.369%0.68566%0.655SS**  trans-74.492165.253.70000108.7S427 E431S427-S429 PolarHBondContact O-N 3.08Å; S427-S429 VanDerWaalsContact O-N 3.15Å; S429-E431 PolarHBondContact O-N 3.05Å
430G63.6Low55.3Low30 Ų30113 Ų11331%0.30963%0.631SS.*THydrogen-bonded Turntrans-63.242.7-173.400000117.5D428 K434D428-G430 PolarHBondContact O-N 3.16Å; D428-G430 VanDerWaalsContact O-N 3.1Å; G430-K434 PolarHBondContact O-N 2.85Å
431E68.7Low57.2Low96 Ų96114.1 Ų114.145%0.44964%0.637SS.*Hα-helixtrans-68.6-34.6172.4-167.2-177.7142.400111.4S429 K434 K435S429-E431 PolarHBondContact O-N 3.05Å; E431-K434 PolarHBondContact O-N 3.29Å; E431-K435 HydrophobicContact CG-CD 4.24Å; E431-K435 WeakPolarHBondContact O-CB 3.37Å; E431-K435 WeakPolarHBondContact O-CG 3.46Å; E431-K435 PolarHBondContact O-N 3.08Å; E431-K435 WeakPolarHBondContact OE1-CE 3.3Å; E431-K435 IonicContact OE1-NZ 2.62Å; E431-K435 PolarHBondContact OE1-NZ 3.28Å
432A64.3Low59Low32 Ų32113.4 Ų113.426%0.26464%0.637SS.*Hα-helixtrans-60.6-48174.100000112.3K434 K435 F436 Y448A432-K434 PolarHBondContact O-N 3.15Å; A432-K435 PolarHBondContact O-N 3.3Å; A432-F436 WeakPolarHBondContact O-CD2 3.42Å; A432-F436 PolarHBondContact O-N 3.3Å; A432-Y448 HydrophobicContact CB-CD2 4.03Å; A432-Y448 HydrophobicContact CB-CE2 3.61Å
433Q70.4Confident60.6Low128 Ų128108.9 Ų108.960%0.59861%0.612SS**Hα-helixtrans-67.1-26.3-179.6-153.517014.800112.3G437Q433-G437 WeakPolarHBondContact O-CA 3.27Å; Q433-G437 PolarHBondContact O-N 2.7Å
434K73.6Confident62.4Low188 Ų188104.3 Ų104.382%0.81759%0.593SS**Hα-helixtrans-75.5-32.1170-71.8179.4179.5179.60114G430 E431 A432G430-K434 PolarHBondContact O-N 2.85Å; E431-K434 PolarHBondContact O-N 3.29Å; A432-K434 PolarHBondContact O-N 3.15Å
435K69.6Low63.9Low112 Ų112102.5 Ų102.549%0.48758%0.584SS.*Hα-helixtrans-81.2-35.3-179-78.6171.9169.7172.40113.6E431 A432 Y448E431-K435 HydrophobicContact CG-CD 4.24Å; E431-K435 WeakPolarHBondContact O-CB 3.37Å; E431-K435 WeakPolarHBondContact O-CG 3.46Å; E431-K435 PolarHBondContact O-N 3.08Å; E431-K435 WeakPolarHBondContact OE1-CE 3.3Å; E431-K435 IonicContact OE1-NZ 2.62Å; E431-K435 PolarHBondContact OE1-NZ 3.28Å; A432-K435 PolarHBondContact O-N 3.3Å; K435-Y448 HydrophobicContact CD-CE2 4.27Å
436F73.8Confident65.7Low68 Ų68100.5 Ų100.530%0.29856%0.563SS.*Hα-helixtrans-118.3-3.1-169.4-62.8-81.7000114.6A432 V440 I443 M447 Y448A432-F436 WeakPolarHBondContact O-CD2 3.42Å; A432-F436 PolarHBondContact O-N 3.3Å; F436-V440 HydrophobicContact CB-CG2 4.43Å; F436-V440 VanDerWaalsContact O-CG2 3.27Å; F436-V440 WeakPolarHBondContact O-CG2 3.14Å; F436-I443 HydrophobicContact CB-CD1 3.67Å; F436-I443 HydrophobicContact CD2-CD1 3.68Å; F436-I443 HydrophobicContact CG-CD1 3.7Å; F436-I443 HydrophobicContact CG-CG1 4.49Å; F436-M447 VanDerWaalsContact CZ-O 3.32Å; F436-M447 WeakPolarHBondContact CZ-O 3.07Å; F436-Y448 HydrophobicContact CD2-CD2 4.36Å; F436-Y448 AromaticContact CE2-CD2 3.71Å; F436-Y448 HydrophobicContact CE2-CD2 3.71Å; F436-Y448 HydrophobicContact CE2-CE2 4.32Å
437G73.2Confident67.3Low39 Ų3995.7 Ų95.740%0.40255%0.549SS..  trans82.1167.6-177.900000113.6Q433 D439Q433-G437 WeakPolarHBondContact O-CA 3.27Å; Q433-G437 PolarHBondContact O-N 2.7Å; G437-D439 PolarHBondContact O-N 3.44Å
438G72.3Confident69Low56 Ų5693.8 Ų93.858%0.57753%0.527SS*.THydrogen-bonded Turntrans-73.5-20.7-172.300000115.4
439D65.9Low70.4Confident162 Ų16294.7 Ų94.787%0.86653%0.525SS*.THydrogen-bonded Turntrans-92.7-7.5-166.7-55.2-60.2000114.3G437 K441G437-D439 PolarHBondContact O-N 3.44Å; D439-K441 PolarHBondContact O-N 2.7Å; D439-K441 VanDerWaalsContact O-N 3.13Å
440V68.1Low70.8Confident70 Ų7092.7 Ų92.742%0.42452%0.52SS..  trans-82.996.3-175.4-171.20000110.9F436 A442 I443F436-V440 HydrophobicContact CB-CG2 4.43Å; F436-V440 VanDerWaalsContact O-CG2 3.27Å; F436-V440 WeakPolarHBondContact O-CG2 3.14Å; V440-A442 VanDerWaalsContact C-N 3.26Å; V440-A442 WeakPolarHBondContact CG1-O 3.49Å; V440-A442 PolarHBondContact O-N 3.12Å; V440-I443 HydrophobicContact CB-CG1 4.26Å; V440-I443 HydrophobicContact CG1-CD1 4.34Å; V440-I443 HydrophobicContact CG1-CG1 3.56Å
441K70.8Confident70.4Confident214 Ų21497.7 Ų97.793%0.9353%0.533SS*.SBendtrans-67.3-16.4-169.6-153163.3-171165.60115.8D439D439-K441 PolarHBondContact O-N 2.7Å; D439-K441 VanDerWaalsContact O-N 3.13Å
442A73.6Confident69.8Low89 Ų89100.1 Ų100.174%0.73654%0.544SS*.  trans-160.2142.9168.100000109.5V440V440-A442 VanDerWaalsContact C-N 3.26Å; V440-A442 WeakPolarHBondContact CG1-O 3.49Å; V440-A442 PolarHBondContact O-N 3.12Å
443I67.7Low69.3Low54 Ų54104.9 Ų104.928%0.27757%0.566SS.*  trans-125.5134.6177.8-56.6160.4000107.1F436 V440 M447F436-I443 HydrophobicContact CB-CD1 3.67Å; F436-I443 HydrophobicContact CD2-CD1 3.68Å; F436-I443 HydrophobicContact CG-CD1 3.7Å; F436-I443 HydrophobicContact CG-CG1 4.49Å; V440-I443 HydrophobicContact CB-CG1 4.26Å; V440-I443 HydrophobicContact CG1-CD1 4.34Å; V440-I443 HydrophobicContact CG1-CG1 3.56Å; I443-M447 HydrophobicContact CG2-CB 3.66Å
444S73.4Confident68.6Low61 Ų61103.8 Ų103.843%0.42756%0.564SS.*  trans-73.5153.2175.872.30000110.9D446 M447 Y448S444-D446 PolarHBondContact O-N 2.97Å; S444-M447 PolarHBondContact O-N 2.91Å; S444-M447 VanDerWaalsContact O-N 3.09Å; S444-M447 WeakPolarHBondContact OG-CB 3.4Å; S444-M447 WeakPolarHBondContact OG-CG 3.46Å; S444-M447 PolarHBondContact OG-N 2.92Å; S444-Y448 PolarHBondContact O-N 2.91Å
445S72.4Confident68.1Low81 Ų8197.8 Ų97.857%0.56655%0.545SS*.Hα-helixtrans-53.7-39.9176.2-165.30000111.6Y448 F449S445-Y448 PolarHBondContact O-N 3.09Å; S445-F449 VanDerWaalsContact O-CD2 3.3Å; S445-F449 WeakPolarHBondContact O-CD2 3.41Å; S445-F449 PolarHBondContact O-N 3.2Å
446D73.2Confident67.9Low81 Ų8198.9 Ų98.943%0.43355%0.552SS.*Hα-helixtrans-70-33.1-179.7-65.8-37.2000113.2S444 G450 K451S444-D446 PolarHBondContact O-N 2.97Å; D446-G450 WeakPolarHBondContact O-CA 3.46Å; D446-G450 PolarHBondContact O-N 3.06Å; D446-K451 HydrophobicContact CB-CD 4.46Å; D446-K451 WeakPolarHBondContact OD1-CD 3.46Å; D446-K451 WeakPolarHBondContact OD1-CE 3.18Å; D446-K451 IonicContact OD1-NZ 2.84Å; D446-K451 PolarHBondContact OD1-NZ 3.23Å; D446-K451 IonicContact OD2-NZ 2.76Å; D446-K451 PolarHBondContact OD2-NZ 3.45Å
447M74.2Confident67.7Low112 Ų112103.5 Ų103.555%0.55257%0.569SS**Hα-helixtrans-69.5-37.2169.9-76.9175.870.100112.5F436 I443 S444F436-M447 VanDerWaalsContact CZ-O 3.32Å; F436-M447 WeakPolarHBondContact CZ-O 3.07Å; I443-M447 HydrophobicContact CG2-CB 3.66Å; S444-M447 PolarHBondContact O-N 2.91Å; S444-M447 VanDerWaalsContact O-N 3.09Å; S444-M447 WeakPolarHBondContact OG-CB 3.4Å; S444-M447 WeakPolarHBondContact OG-CG 3.46Å; S444-M447 PolarHBondContact OG-N 2.92Å
448Y75.2Confident67.4Low62 Ų62106.4 Ų106.424%0.24357%0.572CS.*Hα-helixtrans-73.5-39.8-178.5-177.6-98.3000112.9A432 K435 F436 S444 S445A432-Y448 HydrophobicContact CB-CD2 4.03Å; A432-Y448 HydrophobicContact CB-CE2 3.61Å; K435-Y448 HydrophobicContact CD-CE2 4.27Å; F436-Y448 HydrophobicContact CD2-CD2 4.36Å; F436-Y448 AromaticContact CE2-CD2 3.71Å; F436-Y448 HydrophobicContact CE2-CD2 3.71Å; F436-Y448 HydrophobicContact CE2-CE2 4.32Å; S444-Y448 PolarHBondContact O-N 2.91Å; S445-Y448 PolarHBondContact O-N 3.09Å
449F78.8Confident67.4Low156 Ų156107.3 Ų107.368%0.68457%0.566SS**Hα-helixtrans-95.3-18.8-176.3-69.2-67.5000114.8S445S445-F449 VanDerWaalsContact O-CD2 3.3Å; S445-F449 WeakPolarHBondContact O-CD2 3.41Å; S445-F449 PolarHBondContact O-N 3.2Å
450G64Low67.9Low56 Ų56108.9 Ų108.958%0.57756%0.56SS**THydrogen-bonded Turntrans68.487.2176.800000113.3D446D446-G450 WeakPolarHBondContact O-CA 3.46Å; D446-G450 PolarHBondContact O-N 3.06Å
451K54.9Low68.1Low135 Ų135107 Ų10759%0.58755%0.549SS*.  trans-65.9149.3170.4-87.2175.7177.7150.60111.3D446D446-K451 HydrophobicContact CB-CD 4.46Å; D446-K451 WeakPolarHBondContact OD1-CD 3.46Å; D446-K451 WeakPolarHBondContact OD1-CE 3.18Å; D446-K451 IonicContact OD1-NZ 2.84Å; D446-K451 PolarHBondContact OD1-NZ 3.23Å; D446-K451 IonicContact OD2-NZ 2.76Å; D446-K451 PolarHBondContact OD2-NZ 3.45Å
452Q56.2Low68.3Low146 Ų146100.4 Ų100.468%0.68252%0.518SS*.  trans-80.5122.1-170.2-166.9175.617.800111N454 S455Q452-N454 HydrophobicContact CG-CB 4.48Å; Q452-N454 PolarHBondContact O-N 3.34Å; Q452-S455 PolarHBondContact O-N 2.9Å; Q452-S455 PolarHBondContact O-OG 2.87Å; Q452-S455 VanDerWaalsContact O-OG 3.1Å
453D54.7Low68.3Low133 Ų133101.4 Ų101.471%0.71151%0.511SS*.Hα-helixtrans-52.2-28.1-172.7-56.5-80.6000114.5S455 E456 Y457D453-S455 PolarHBondContact O-N 3.26Å; D453-E456 PolarHBondContact O-N 3.1Å; D453-Y457 PolarHBondContact O-N 2.91Å
454N56Low68.8Low105 Ų105105.5 Ų105.556%0.56153%0.528SS*.Hα-helixtrans-50.3-39.1173.6-87-3.7000113.4Q452 E458Q452-N454 HydrophobicContact CG-CB 4.48Å; Q452-N454 PolarHBondContact O-N 3.34Å; N454-E458 WeakPolarHBondContact O-CB 3.43Å; N454-E458 WeakPolarHBondContact O-CG 3.42Å; N454-E458 PolarHBondContact O-N 2.93Å
455S62.8Low68.8Low61 Ų61111.2 Ų111.243%0.42754%0.541SS..Hα-helixtrans-70.5-33.1-179.658.10000112.5Q452 D453 T459Q452-S455 PolarHBondContact O-N 2.9Å; Q452-S455 PolarHBondContact O-OG 2.87Å; Q452-S455 VanDerWaalsContact O-OG 3.1Å; D453-S455 PolarHBondContact O-N 3.26Å; S455-T459 WeakPolarHBondContact O-CB 3.28Å; S455-T459 VanDerWaalsContact O-CG2 3.27Å; S455-T459 WeakPolarHBondContact O-CG2 3.22Å; S455-T459 PolarHBondContact O-N 3.38Å; S455-T459 VanDerWaalsContact O-N 3.09Å; S455-T459 PolarHBondContact O-OG1 3.26Å
456E64.4Low68.9Low135 Ų135110 Ų11063%0.63153%0.525SS*.Hα-helixtrans-77-38.9176.2-63.8-159.9179.700111.2D453 T459 R460D453-E456 PolarHBondContact O-N 3.1Å; E456-T459 WeakPolarHBondContact CA-OG1 2.99Å; E456-T459 PolarHBondContact O-OG1 3.47Å; E456-R460 WeakPolarHBondContact O-CB 3.33Å; E456-R460 PolarHBondContact O-N 2.8Å
457Y69.3Low69Low166 Ų166111.2 Ų111.265%0.65154%0.54SS*.Hα-helixtrans-61.2-51.6173.2-173.3-101.7000111.4D453 T459 R460 T461D453-Y457 PolarHBondContact O-N 2.91Å; Y457-T459 PolarHBondContact O-N 2.68Å; Y457-R460 PolarHBondContact O-N 2.92Å; Y457-T461 PolarHBondContact O-N 3.42Å; Y457-T461 PolarHBondContact O-OG1 3.01Å; Y457-T461 VanDerWaalsContact O-OG1 3.1Å
458E66.7Low69Low99 Ų99109.8 Ų109.846%0.46355%0.554SS.*Hα-helixtrans-62-43.2178.6-78.5-164.6-165.100113.1N454 R460 T461 R462N454-E458 WeakPolarHBondContact O-CB 3.43Å; N454-E458 WeakPolarHBondContact O-CG 3.42Å; N454-E458 PolarHBondContact O-N 2.93Å; E458-R460 VanDerWaalsContact C-N 3.35Å; E458-T461 PolarHBondContact O-N 2.76Å; E458-R462 WeakPolarHBondContact O-CG 3.36Å; E458-R462 PolarHBondContact O-N 3.44Å; E458-R462 IonicContact OE2-CZ 3.33Å; E458-R462 VanDerWaalsContact OE2-CZ 3.25Å; E458-R462 IonicContact OE2-NH1 2.75Å; E458-R462 PolarHBondContact OE2-NH1 3.31Å; E458-R462 IonicContact OE2-NH2 3.45Å; E458-R462 PolarHBondContact OE2-NH2 3.14Å
459T73.7Confident69Low75 Ų75109.2 Ų109.246%0.4656%0.559SS.*Hα-helixtrans-68.1-36179.649.40000111.7S455 E456 Y457 R462 L463S455-T459 WeakPolarHBondContact O-CB 3.28Å; S455-T459 VanDerWaalsContact O-CG2 3.27Å; S455-T459 WeakPolarHBondContact O-CG2 3.22Å; S455-T459 PolarHBondContact O-N 3.38Å; S455-T459 VanDerWaalsContact O-N 3.09Å; S455-T459 PolarHBondContact O-OG1 3.26Å; E456-T459 WeakPolarHBondContact CA-OG1 2.99Å; E456-T459 PolarHBondContact O-OG1 3.47Å; Y457-T459 PolarHBondContact O-N 2.68Å; T459-R462 PolarHBondContact O-N 3.31Å; T459-L463 WeakPolarHBondContact O-CB 3.38Å; T459-L463 PolarHBondContact O-N 3.38Å
460R75.6Confident68.7Low195 Ų195107.3 Ų107.374%0.73657%0.573SS**Hα-helixtrans-65.1-43.9172.8-168.3170-174.9154.20.5111.9E456 Y457 E458 R462 L463 E464E456-R460 WeakPolarHBondContact O-CB 3.33Å; E456-R460 PolarHBondContact O-N 2.8Å; Y457-R460 PolarHBondContact O-N 2.92Å; E458-R460 VanDerWaalsContact C-N 3.35Å; R460-R462 VanDerWaalsContact C-N 3.35Å; R460-R462 PolarHBondContact O-N 3.39Å; R460-L463 PolarHBondContact O-N 3.35Å; R460-E464 WeakPolarHBondContact O-CB 3.42Å; R460-E464 PolarHBondContact O-N 3.21Å
461T73.1Confident69Low31 Ų31109.7 Ų109.719%0.1958%0.58CS.*Hα-helixtrans-68.2-29.7174.1-550000112.7Y457 E458 R465Y457-T461 PolarHBondContact O-N 3.42Å; Y457-T461 PolarHBondContact O-OG1 3.01Å; Y457-T461 VanDerWaalsContact O-OG1 3.1Å; E458-T461 PolarHBondContact O-N 2.76Å; T461-R465 WeakPolarHBondContact O-CG 3.22Å; T461-R465 PolarHBondContact O-N 3.44Å
462R75.2Confident69.7Low75 Ų75107.1 Ų107.128%0.28357%0.572SS.*Hα-helixtrans-65.2-48.5168.4-75.4-177.3-175.992.68.3110.8E458 T459 R460 E464 R465 F466E458-R462 WeakPolarHBondContact O-CG 3.36Å; E458-R462 PolarHBondContact O-N 3.44Å; E458-R462 IonicContact OE2-CZ 3.33Å; E458-R462 VanDerWaalsContact OE2-CZ 3.25Å; E458-R462 IonicContact OE2-NH1 2.75Å; E458-R462 PolarHBondContact OE2-NH1 3.31Å; E458-R462 IonicContact OE2-NH2 3.45Å; E458-R462 PolarHBondContact OE2-NH2 3.14Å; T459-R462 PolarHBondContact O-N 3.31Å; R460-R462 VanDerWaalsContact C-N 3.35Å; R460-R462 PolarHBondContact O-N 3.39Å; R462-E464 PolarHBondContact O-N 2.97Å; R462-R465 PolarHBondContact O-N 3.14Å; R462-F466 WeakPolarHBondContact O-CD2 3.32Å
463L73.8Confident70Confident111 Ų111103.2 Ų103.258%0.58156%0.561SS**Hα-helixtrans-59.8-42.2177.1-105.9157.7000113.1T459 R460 R465 F466 S467T459-L463 WeakPolarHBondContact O-CB 3.38Å; T459-L463 PolarHBondContact O-N 3.38Å; R460-L463 PolarHBondContact O-N 3.35Å; L463-R465 VanDerWaalsContact C-N 3.31Å; L463-R465 PolarHBondContact O-N 2.94Å; L463-F466 CarbonylContact O-C 3.55Å; L463-F466 PolarHBondContact O-N 3.25Å; L463-S467 PolarHBondContact O-N 3.05Å
464E78.3Confident70.4Confident139 Ų139100.9 Ų100.965%0.6556%0.555SS**Hα-helixtrans-62-36.3-179.6-169.5165-144.300112.4R460 R462 F466 S467R460-E464 WeakPolarHBondContact O-CB 3.42Å; R460-E464 PolarHBondContact O-N 3.21Å; R462-E464 PolarHBondContact O-N 2.97Å; E464-F466 PolarHBondContact O-N 2.89Å; E464-S467 WeakPolarHBondContact O-CB 3.3Å; E464-S467 PolarHBondContact O-N 3.39Å
465R72.1Confident70.9Confident181 Ų18199.1 Ų99.168%0.68356%0.555SS**Hα-helixtrans-61.7-27.9172.5-70.4172.3-176.7124.41.5113.5T461 R462 L463T461-R465 WeakPolarHBondContact O-CG 3.22Å; T461-R465 PolarHBondContact O-N 3.44Å; R462-R465 PolarHBondContact O-N 3.14Å; L463-R465 VanDerWaalsContact C-N 3.31Å; L463-R465 PolarHBondContact O-N 2.94Å
466F74.2Confident71.1Confident55 Ų55100.8 Ų100.824%0.24156%0.559CS.*THydrogen-bonded Turntrans-984.2-179.6-60.4-61.4000113.7R462 L463 E464 G468 S469 I472 D476R462-F466 WeakPolarHBondContact O-CD2 3.32Å; L463-F466 CarbonylContact O-C 3.55Å; L463-F466 PolarHBondContact O-N 3.25Å; E464-F466 PolarHBondContact O-N 2.89Å; F466-G468 PolarHBondContact O-N 3.21Å; F466-S469 WeakPolarHBondContact CA-OG 3.34Å; F466-S469 PolarHBondContact O-N 3.06Å; F466-S469 VanDerWaalsContact O-N 3.11Å; F466-S469 PolarHBondContact O-OG 2.68Å; F466-I472 HydrophobicContact CB-CD1 3.59Å; F466-I472 HydrophobicContact CB-CG1 4.04Å; F466-I472 HydrophobicContact CG-CD1 4.29Å; F466-I472 HydrophobicContact CG-CG1 4.43Å; F466-I472 HydrophobicContact CG-CG2 4.48Å; F466-D476 HydrophobicContact CE1-CB 4.26Å; F466-D476 HydrophobicContact CZ-CB 3.95Å
467S76.9Confident71.4Confident107 Ų10797.6 Ų97.675%0.74855%0.546SS*.THydrogen-bonded Turntrans-62.8-13.5-179.1-170.80000114.6L463 E464L463-S467 PolarHBondContact O-N 3.05Å; E464-S467 WeakPolarHBondContact O-CB 3.3Å; E464-S467 PolarHBondContact O-N 3.39Å
468G73.9Confident71.7Confident82 Ų8296.7 Ų96.785%0.84555%0.546SS*.THydrogen-bonded Turntrans-106.8-4.1176.300000115.4F466F466-G468 PolarHBondContact O-N 3.21Å
469S75Confident71.2Confident50 Ų5097.6 Ų97.635%0.3555%0.554SS.*  trans-93.7119.3-176.142.10000112.3F466 S471F466-S469 WeakPolarHBondContact CA-OG 3.34Å; F466-S469 PolarHBondContact O-N 3.06Å; F466-S469 VanDerWaalsContact O-N 3.11Å; F466-S469 PolarHBondContact O-OG 2.68Å; S469-S471 PolarHBondContact O-N 2.76Å; S469-S471 VanDerWaalsContact O-N 3.15Å
470A72.9Confident70Confident117 Ų117100.2 Ų100.297%0.96757%0.565SS**SBendtrans-67.8-10.2-178.500000115
471S68.5Low68.6Low106 Ų10696.8 Ų96.874%0.74157%0.568SS**  trans-150.7136.5170.960.60000109.4S469S469-S471 PolarHBondContact O-N 2.76Å; S469-S471 VanDerWaalsContact O-N 3.15Å
472I71.7Confident67.3Low80 Ų80103.8 Ų103.841%0.4160%0.596SS.*  trans-118.2130.2178.1-55.7167.7000108F466 L477F466-I472 HydrophobicContact CB-CD1 3.59Å; F466-I472 HydrophobicContact CB-CG1 4.04Å; F466-I472 HydrophobicContact CG-CD1 4.29Å; F466-I472 HydrophobicContact CG-CG1 4.43Å; F466-I472 HydrophobicContact CG-CG2 4.48Å; I472-L477 HydrophobicContact CG2-CB 4.49Å
473S62Low65.5Low65 Ų65109.7 Ų109.746%0.45562%0.623SS.*  trans-81.9143.2173.4-171.70000110.4A475 D476 L477S473-A475 PolarHBondContact O-N 3Å; S473-A475 VanDerWaalsContact O-N 3.13Å; S473-D476 VanDerWaalsContact CB-OD2 3.26Å; S473-D476 WeakPolarHBondContact CB-OD2 3.5Å; S473-D476 PolarHBondContact O-N 2.96Å; S473-D476 VanDerWaalsContact O-N 3.07Å; S473-L477 PolarHBondContact O-N 3.43Å
474S61.5Low64Low83 Ų83112.9 Ų112.958%0.5864%0.635SS**Hα-helixtrans-60-24.2174.8-162.70000112.5F478S474-F478 WeakPolarHBondContact O-CD2 3.39Å; S474-F478 PolarHBondContact O-N 3.08Å
475A66.8Low62Low68 Ų68112.9 Ų112.956%0.56265%0.645SS**Hα-helixtrans-66.1-43.8173.800000112.6S473 L477 D479S473-A475 PolarHBondContact O-N 3Å; S473-A475 VanDerWaalsContact O-N 3.13Å; A475-L477 VanDerWaalsContact C-N 3.28Å; A475-L477 PolarHBondContact O-N 3.07Å; A475-D479 PolarHBondContact O-N 3.35Å
476D67.8Low60.3Low96 Ų96107.9 Ų107.951%0.51365%0.65SS.*Hα-helixtrans-73.6-21-177.5-53.1-43.9000112.4F466 S473F466-D476 HydrophobicContact CE1-CB 4.26Å; F466-D476 HydrophobicContact CZ-CB 3.95Å; S473-D476 VanDerWaalsContact CB-OD2 3.26Å; S473-D476 WeakPolarHBondContact CB-OD2 3.5Å; S473-D476 PolarHBondContact O-N 2.96Å; S473-D476 VanDerWaalsContact O-N 3.07Å
477L71.4Confident58.4Low68 Ų68111 Ų11136%0.35668%0.679SS.*Hα-helixtrans-83.1-30.5-180-174.660.7000113.3I472 S473 A475I472-L477 HydrophobicContact CG2-CB 4.49Å; S473-L477 PolarHBondContact O-N 3.43Å; A475-L477 VanDerWaalsContact C-N 3.28Å; A475-L477 PolarHBondContact O-N 3.07Å
478F74.6Confident56.3Low148 Ų148110.5 Ų110.565%0.64968%0.675SS**Hα-helixtrans-114.9-7.9-170-68.9-65.6000115.7S474 D480S474-F478 WeakPolarHBondContact O-CD2 3.39Å; S474-F478 PolarHBondContact O-N 3.08Å; F478-D480 VanDerWaalsContact C-N 3.33Å; F478-D480 PolarHBondContact O-N 3.46Å
479D57.3Low54.8Low118 Ų118116.3 Ų116.363%0.63167%0.673SS**  trans53.144160.7-137-10.9000113.7A475 P481A475-D479 PolarHBondContact O-N 3.35Å; D479-P481 VanDerWaalsContact O-CD 3.27Å; D479-P481 WeakPolarHBondContact O-CD 3.5Å
480D47.8Very low52.9Low130 Ų130124.5 Ų124.570%0.69570%0.696SS**  trans-72.4109-166.8-173.1-3.9000112.5F478 K482F478-D480 VanDerWaalsContact C-N 3.33Å; F478-D480 PolarHBondContact O-N 3.46Å; D480-K482 PolarHBondContact O-N 3.37Å
481P46.1Very low51.6Low122 Ų122127.7 Ų127.779%0.79270%0.696SS**  trans-80.524.1-165.534.8-37.9000114D479D479-P481 VanDerWaalsContact O-CD 3.27Å; D479-P481 WeakPolarHBondContact O-CD 3.5Å
482K45.4Very low50.4Low178 Ų178126.2 Ų126.277%0.77469%0.686SS**  trans-14164.8-174-76.3-171.7177.1168.80115.6D480D480-K482 PolarHBondContact O-N 3.37Å
483K38.3Very low48.9Very low199 Ų199129.5 Ų129.587%0.86570%0.704SS**  trans-162.8109143.3-114.8163.4-174.6173.40114.1
484E41.6Very low48Very low179 Ų179133.2 Ų133.284%0.83672%0.724SS**  trans-100.7152.3150.8-78-141.6127.100110.5
485T36.9Very low47.1Very low139 Ų139136.4 Ų136.485%0.85373%0.734SS**  trans65.8141.9179.775.80000116.1
486G35.5Very low45.9Very low76 Ų76138.8 Ų138.878%0.78474%0.743SS**  trans159.4-29160.900000119.3
487S34.3Very low44.5Very low121 Ų121142.1 Ų142.185%0.84676%0.761SS**  trans61.8113.1-176.6-165.40000116.8
488S33.9Very low43.2Very low96 Ų96142.5 Ų142.567%0.67177%0.774SS**  trans-119.4143.8142.6-173.60000107.6R490S488-R490 PolarHBondContact O-N 3.34Å
489Y41.2Very low42Very low204 Ų204141 Ų14180%0.878%0.779SS**  trans-72.7113.8-16435.6-88.7000112.5
490R35.8Very low41.7Very low222 Ų222140.7 Ų140.784%0.83878%0.777SS**  trans-110.997.4165.8-79.3-77.9-173.2154.61.3109.3S488 S492S488-R490 PolarHBondContact O-N 3.34Å; R490-S492 VanDerWaalsContact C-N 3.27Å; R490-S492 PolarHBondContact O-N 3.35Å
491L44.7Very low41.9Very low183 Ų183140.3 Ų140.396%0.95877%0.773SS**THydrogen-bonded Turntrans-74.480.3169.3-74.2168.6000109.5
492S43.2Very low42.4Very low76 Ų76138 Ų13853%0.53176%0.76SS.*THydrogen-bonded Turntrans-146.6-20.5178.754.90000115.6R490 V494R490-S492 VanDerWaalsContact C-N 3.27Å; R490-S492 PolarHBondContact O-N 3.35Å; S492-V494 PolarHBondContact O-N 3.1Å
493N40.2Very low42.7Very low148 Ų148136.8 Ų136.879%0.79176%0.757SS**  trans-98.549.2-167.3-68.732.7000113.4
494V44.6Very low43.1Very low143 Ų143132.4 Ų132.487%0.86774%0.742SS**SBendtrans-127.758.8165.1-168.90000109.2S492S492-V494 PolarHBondContact O-N 3.1Å
495L40.9Very low43.6Very low151 Ų151132.8 Ų132.879%0.79174%0.741SS**SBendtrans-156.7135.5167.1-102.7171.4000108.1
496P43.2Very low44.2Very low118 Ų118133.6 Ų133.677%0.76674%0.74SS**PPolyproline II helixtrans-61.7136.1167.2-20.433.3000110A498P496-A498 PolarHBondContact O-N 2.68Å
497N38.3Very low44.7Very low166 Ų166132 Ų13289%0.88872%0.723SS**PPolyproline II helixtrans-69.5126.8-176.3-161.620.4000110.7
498A44Very low45.4Very low76 Ų76131.2 Ų131.263%0.62871%0.713SS**PPolyproline II helixtrans-75.9149.8-175.800000111.9P496P496-A498 PolarHBondContact O-N 2.68Å
499P49.8Very low46.2Very low116 Ų116138.6 Ų138.675%0.75373%0.726SS**PPolyproline II helixtrans-67.2154.9173.729.2-35.1000112M501P499-M501 PolarHBondContact O-N 3.05Å
500D50.4Low46.8Very low112 Ų112134.1 Ų134.160%0.59972%0.724SS**PPolyproline II helixtrans-53.7121-174.8176.420.3000113.7S502D500-S502 VanDerWaalsContact C-N 3.3Å; D500-S502 VanDerWaalsContact CG-OG 3.25Å; D500-S502 PolarHBondContact O-N 2.99Å; D500-S502 VanDerWaalsContact OD1-CB 3.24Å; D500-S502 WeakPolarHBondContact OD1-CB 3.47Å; D500-S502 PolarHBondContact OD1-N 2.96Å; D500-S502 PolarHBondContact OD1-OG 3.2Å; D500-S502 WeakPolarHBondContact OD2-CB 3.47Å; D500-S502 PolarHBondContact OD2-OG 3.24Å
501M52.6Low47.5Very low122 Ų122128.7 Ų128.760%0.60172%0.716SS**THydrogen-bonded Turntrans-821.7179-86.3-101.254.500114.3P499 L504P499-M501 PolarHBondContact O-N 3.05Å; M501-L504 HydrophobicContact CE-CB 3.57Å; M501-L504 HydrophobicContact CE-CD2 3.54Å; M501-L504 HydrophobicContact CE-CG 4.19Å
502S56.6Low47.6Very low74 Ų74124.6 Ų124.652%0.51771%0.708SS.*THydrogen-bonded Turntrans-68.7-40.9177.581.40000113.1D500D500-S502 VanDerWaalsContact C-N 3.3Å; D500-S502 VanDerWaalsContact CG-OG 3.25Å; D500-S502 PolarHBondContact O-N 2.99Å; D500-S502 VanDerWaalsContact OD1-CB 3.24Å; D500-S502 WeakPolarHBondContact OD1-CB 3.47Å; D500-S502 PolarHBondContact OD1-N 2.96Å; D500-S502 PolarHBondContact OD1-OG 3.2Å; D500-S502 WeakPolarHBondContact OD2-CB 3.47Å; D500-S502 PolarHBondContact OD2-OG 3.24Å
503Q50.4Low48Very low151 Ų151124.2 Ų124.271%0.70672%0.716SS**SBendtrans-83.3-23.4-169.9-59.5-159.17.600114.6K505 L506Q503-K505 VanDerWaalsContact C-N 3.28Å; Q503-K505 PolarHBondContact O-N 2.62Å; Q503-L506 PolarHBondContact O-N 3Å
504L48.1Very low48.7Very low107 Ų107126 Ų12656%0.5672%0.717SS**Hα-helixtrans-63.9-31.5-174.9-163.171.7000112.9M501 L506 G507 V508M501-L504 HydrophobicContact CE-CB 3.57Å; M501-L504 HydrophobicContact CE-CD2 3.54Å; M501-L504 HydrophobicContact CE-CG 4.19Å; L504-L506 PolarHBondContact O-N 3.17Å; L504-G507 PolarHBondContact O-N 3.09Å; L504-V508 HydrophobicContact CD1-CG2 4.49Å; L504-V508 HydrophobicContact CG-CG2 4.18Å; L504-V508 WeakPolarHBondContact O-CG2 3.46Å; L504-V508 PolarHBondContact O-N 2.69Å
505K51.2Low48.7Very low188 Ų188126 Ų12682%0.81771%0.711SS**Hα-helixtrans-68.6-13.2-177.4-77-174.5176.2177.60114.7Q503Q503-K505 VanDerWaalsContact C-N 3.28Å; Q503-K505 PolarHBondContact O-N 2.62Å
506L49.8Very low49.1Very low156 Ų156123.5 Ų123.582%0.81771%0.707SS**Hα-helixtrans-100.8-28.7174.2-65.1176000113Q503 L504Q503-L506 PolarHBondContact O-N 3Å; L504-L506 PolarHBondContact O-N 3.17Å
507G46.6Very low49.7Very low43 Ų43124 Ų12444%0.44371%0.707SS.*Hα-helixtrans-72.8-32.2-179.400000115.2L504 R509 S510L504-G507 PolarHBondContact O-N 3.09Å; G507-R509 PolarHBondContact O-N 3.3Å; G507-R509 VanDerWaalsContact O-N 3.1Å; G507-S510 PolarHBondContact O-N 2.98Å
508V47Very low50.3Low104 Ų104124 Ų12463%0.6370%0.704SS**THydrogen-bonded Turntrans-66.2-17.1-169.3170.50000114.2L504 S510L504-V508 HydrophobicContact CD1-CG2 4.49Å; L504-V508 HydrophobicContact CG-CG2 4.18Å; L504-V508 WeakPolarHBondContact O-CG2 3.46Å; L504-V508 PolarHBondContact O-N 2.69Å; V508-S510 PolarHBondContact O-N 3.06Å
509R51.9Low50.7Low251 Ų251123.7 Ų123.795%0.94770%0.701SS**THydrogen-bonded Turntrans-80-5178.3-93.5-177.7165.4136.5-2.7115.6G507G507-R509 PolarHBondContact O-N 3.3Å; G507-R509 VanDerWaalsContact O-N 3.1Å
510S53.2Low50.7Low109 Ų109122.1 Ų122.176%0.76269%0.693SS**SBendtrans-107.9-17.5-170.5-155.90000116G507 V508G507-S510 PolarHBondContact O-N 2.98Å; V508-S510 PolarHBondContact O-N 3.06Å
511V50.5Low51Low109 Ų109119.3 Ų119.366%0.66169%0.69SS**SBendtrans-114.52.1-169.8-156.50000114.2G513V511-G513 PolarHBondContact O-N 3.32Å; V511-G513 VanDerWaalsContact O-N 3.13Å
512A47.2Very low51Low96 Ų96118 Ų11879%0.79369%0.689SS**THydrogen-bonded Turntrans-66.1-13177.100000114.5
513G52.3Low50.9Low68 Ų68118.9 Ų118.970%0.70169%0.691SS**THydrogen-bonded Turntrans-98.71.9-17000000117.6V511V511-G513 PolarHBondContact O-N 3.32Å; V511-G513 VanDerWaalsContact O-N 3.13Å
514K54Low51.1Low187 Ų187115.3 Ų115.381%0.81368%0.683SS**SBendtrans-129.68.6-169.5-75.2-167.7175-176.80117.9
515L45.2Very low51.5Low142 Ų142114.8 Ų114.874%0.74368%0.684SS**SBendtrans-111.5-8.3172.3-71175.6000114.9V517L515-V517 PolarHBondContact O-N 2.98Å
516S48.3Very low51.7Low99 Ų99111.2 Ų111.269%0.69267%0.673SS**THydrogen-bonded Turntrans-70.42-178.2-167.30000115.4
517V56.3Low52.1Low128 Ų128110.6 Ų110.678%0.77667%0.666SS**THydrogen-bonded Turntrans-109.3-12.3-172.5-176.60000112.9L515L515-V517 PolarHBondContact O-N 2.98Å
518M50.9Low52.6Low167 Ų167115.2 Ų115.282%0.82368%0.68SS**SBendtrans-108.3-3.8-179.6-68.2-172.717500114.9
519A51.5Low53.1Low68 Ų68118 Ų11856%0.56269%0.686SS**SBendtrans-82.8-34.9175.700000113.3G521A519-G521 VanDerWaalsContact C-N 3.33Å; A519-G521 PolarHBondContact O-N 3.28Å
520S51.2Low53.5Low84 Ų84116.2 Ų116.259%0.58768%0.681SS**THydrogen-bonded Turntrans-71.8-21.8-173.1-47.30000114.5
521G55.4Low53.6Low53 Ų53118.2 Ų118.255%0.54668%0.683SS.*Hα-helixtrans-75.8-19.7-176.300000115.4A519 T525A519-G521 VanDerWaalsContact C-N 3.33Å; A519-G521 PolarHBondContact O-N 3.28Å; G521-T525 PolarHBondContact O-OG1 3.13Å
522V52.7Low53.5Low95 Ų95122.1 Ų122.158%0.57672%0.715SS**Hα-helixtrans-97.5-13.8-175-166.60000112.2T525V522-T525 WeakPolarHBondContact CA-OG1 3.27Å; V522-T525 PolarHBondContact O-OG1 3.1Å
523V54.8Low53.8Low92 Ų92123.4 Ų123.456%0.55871%0.711SS**Hα-helixtrans-83.9-43.7179.5-179.80000111.3T525 I526 Q527V523-T525 VanDerWaalsContact C-N 3.33Å; V523-T525 PolarHBondContact O-N 3.15Å; V523-I526 PolarHBondContact O-N 3.42Å; V523-Q527 PolarHBondContact O-N 3.19Å
524S55.3Low53.9Low75 Ų75126.3 Ų126.352%0.52471%0.712SS.*Hα-helixtrans-61.9-38.7176.2-63.10000113I526 Q527 D528S524-I526 PolarHBondContact O-N 3.24Å; S524-Q527 PolarHBondContact O-N 3.13Å; S524-Q527 VanDerWaalsContact O-N 3.07Å; S524-D528 PolarHBondContact O-N 3.45Å
525T56.6Low53.9Low96 Ų96122.9 Ų122.959%0.58971%0.706SS**Hα-helixtrans-69.6-12-178.632.50000114.6G521 V522 V523G521-T525 PolarHBondContact O-OG1 3.13Å; V522-T525 WeakPolarHBondContact CA-OG1 3.27Å; V522-T525 PolarHBondContact O-OG1 3.1Å; V523-T525 VanDerWaalsContact C-N 3.33Å; V523-T525 PolarHBondContact O-N 3.15Å
526I55.2Low54.4Low114 Ų114121.8 Ų121.859%0.58570%0.704SS**Hα-helixtrans-94.7-28.2171.1-64.4174000110.9V523 S524V523-I526 PolarHBondContact O-N 3.42Å; S524-I526 PolarHBondContact O-N 3.24Å
527Q57.8Low54.8Low142 Ų142123.3 Ų123.366%0.66470%0.704SS**Hα-helixtrans-82.7-29.9-173.4-164.3156.7-12.200113.6V523 S524 H529V523-Q527 PolarHBondContact O-N 3.19Å; S524-Q527 PolarHBondContact O-N 3.13Å; S524-Q527 VanDerWaalsContact O-N 3.07Å; Q527-H529 PolarHBondContact O-N 3.35Å
528D56.5Low54.7Low140 Ų140122.9 Ų122.975%0.74970%0.7SS**THydrogen-bonded Turntrans-71.2-16173.9-71.1-22.7000113.3S524S524-D528 PolarHBondContact O-N 3.45Å
529H58.9Low54.9Low164 Ų164119.8 Ų119.876%0.75969%0.691SS**THydrogen-bonded Turntrans-93.63.1-173.3-131.5-57.6000114.9Q527Q527-H529 PolarHBondContact O-N 3.35Å
530Y58.7Low55.2Low212 Ų212123.8 Ų123.883%0.83170%0.701SS**SBendtrans-131.112.9-175.2-97.6-75.6000114.5
531N57Low55.5Low151 Ų151127.1 Ų127.181%0.80771%0.71SS**  trans-142.766.9-175.7-153.534.8000113.2
532S47.7Very low55.6Low191 Ų191133.8 Ų133.8100%1.33673%0.725SS**  trans-1490163-177.50000110.6

Retrieved 532 of 532 residues in 471.4 ms (Link to these results)

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