A0A096NRE1_PAPAN Loading...

PX domain-containing protein kinase-like protein

Binds to and modulates brain Na,K-ATPase subunits ATP1B1 and ATP1B3 and may thereby participate in the regulation of electrical excitability and synaptic transmission. May not display kinase activity.

AlphaFold DB , UniProt , Accession A0A096NRE1, Species PAPAN (Papio anubis, Olive baboon), Gene PXK, Length 578 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
1M32.5Very low32.8Very low233 Ų233151.5 Ų151.5100%1.14884%0.844SS**  0103.30-76.1-156.4-86.900107.7F3M1-F3 PolarHBondContact O-N 3.15Å
2A29.1Very low34.2Very low100 Ų100151.4 Ų151.483%0.82685%0.849SS**  trans-75.8116.4-179.200000108.9M4A2-M4 PolarHBondContact O-N 3.19Å; A2-M4 VanDerWaalsContact O-N 3.12Å
3F28.5Very low37.6Very low199 Ų199143.5 Ų143.587%0.87380%0.804SS**  trans-56.9114166-86.2-99.8000107.5M1 E5M1-F3 PolarHBondContact O-N 3.15Å; F3-E5 PolarHBondContact O-N 2.67Å
4M34.7Very low41.2Very low155 Ų155135.9 Ų135.976%0.76476%0.76SS**  trans-61.2111167.6-71-171.97400106.9A2 K6A2-M4 PolarHBondContact O-N 3.19Å; A2-M4 VanDerWaalsContact O-N 3.12Å; M4-K6 PolarHBondContact O-N 2.87Å
5E29Very low44.6Very low186 Ų186127.5 Ų127.587%0.86971%0.713SS**PPolyproline II helixtrans-50.1129.1167.9-74.8180144.700108.7F3F3-E5 PolarHBondContact O-N 2.67Å
6K30.5Very low47.6Very low193 Ų193120.4 Ų120.484%0.83967%0.673SS**PPolyproline II helixtrans-55.8136.7167.5-89177.9173.7175.60107.7M4M4-K6 PolarHBondContact O-N 2.87Å
7P35.8Very low50.2Low113 Ų113113.9 Ų113.973%0.73464%0.637SS**PPolyproline II helixtrans-55.3142.3171.2-14.926.1000109A9P7-A9 PolarHBondContact O-N 3.23Å
8P31.3Very low52.6Low123 Ų123109.6 Ų109.680%0.79961%0.614SS**PPolyproline II helixtrans-54.9141.1176.321.7-30.4000109.9G10P8-G10 PolarHBondContact O-N 3.29Å
9A32.7Very low54.7Low118 Ų118107.4 Ų107.498%0.97561%0.605SS**SBendtrans-62.698.9174.900000109.2P7P7-A9 PolarHBondContact O-N 3.23Å
10G32.8Very low56.8Low64 Ų64102.3 Ų102.366%0.6658%0.576SS**SBendtrans-172.786.7-176.600000111.9P8P8-G10 PolarHBondContact O-N 3.29Å
11K43.5Very low58.7Low183 Ų183100.9 Ų100.980%0.79657%0.57SS**  trans53.194.8170.2-65.2178.3179.8176.20115.3L13K11-L13 VanDerWaalsContact C-N 3.34Å; K11-L13 PolarHBondContact O-N 3.33Å
12V50.6Low61.8Low150 Ų15090.2 Ų90.291%0.90952%0.519SS*.  trans-57.1106.7149.3177.20000106.2L14V12-L14 PolarHBondContact O-N 2.96Å
13L78.1Confident65.1Low49 Ų4987.1 Ų87.126%0.25749%0.493SS..  trans-63.3130.3177.7-68.5165.6000107.7K11 D15 L183 G184 P185 K187K11-L13 VanDerWaalsContact C-N 3.34Å; K11-L13 PolarHBondContact O-N 3.33Å; L13-D15 PolarHBondContact O-N 2.98Å; L13-L183 HydrophobicContact CD1-CB 3.53Å; L13-G184 WeakPolarHBondContact CD1-O 3.18Å; L13-P185 WeakPolarHBondContact O-CB 3.41Å; L13-K187 HydrophobicContact CD1-CB 4.44Å
14L87.9Confident68.4Low36 Ų3678.4 Ų78.419%0.18846%0.455CS..  trans-64.3126.5-171.6-17170.9000110.8V12 D16 N123 Y124 R160V12-L14 PolarHBondContact O-N 2.96Å; L14-D16 PolarHBondContact O-N 3.43Å; L14-N123 HydrophobicContact CD2-CB 3.67Å; L14-Y124 HydrophobicContact CD2-CE1 4.06Å; L14-Y124 HydrophobicContact CD2-CE2 3.9Å; L14-Y124 VanDerWaalsContact CD2-CZ 3.5Å; L14-Y124 VanDerWaalsContact CD2-OH 3.29Å; L14-Y124 WeakPolarHBondContact CD2-OH 3.03Å; L14-R160 VanDerWaalsContact CD2-NH2 3.35Å
15D92Very high71.3Confident10 Ų1075.4 Ų75.45%0.05344%0.439CS..  trans-84.6104.1169.5-167-28.7000110L13 T17 V18 R42 P185 P314 R318 R429L13-D15 PolarHBondContact O-N 2.98Å; D15-T17 PolarHBondContact O-N 2.85Å; D15-T17 WeakPolarHBondContact OD1-CB 3.15Å; D15-T17 PolarHBondContact OD1-N 3.45Å; D15-T17 PolarHBondContact OD1-OG1 3.19Å; D15-V18 HydrophobicContact CB-CG2 3.73Å; D15-V18 PolarHBondContact O-N 3.18Å; D15-R42 PolarHBondContact O-NH1 2.97Å; D15-R42 VanDerWaalsContact O-NH1 3.16Å; D15-P185 HydrophobicContact CB-CB 4.3Å; D15-P185 HydrophobicContact CB-CG 3.87Å; D15-P314 WeakPolarHBondContact OD1-CB 3.34Å; D15-R318 IonicContact OD2-NE 2.7Å; D15-R429 IonicContact OD2-CZ 3.92Å; D15-R429 IonicContact OD2-NH1 3.71Å; D15-R429 IonicContact OD2-NH2 2.95Å; D15-R429 PolarHBondContact OD2-NH2 3.25Å
16D92.3Very high74.5Confident15 Ų1568.5 Ų68.58%0.0841%0.414CS..THydrogen-bonded Turntrans-66.5-19.8-179.2-66.9-36.3000112.9L14 V18 N111 K116 Y124 I159 R160L14-D16 PolarHBondContact O-N 3.43Å; D16-V18 VanDerWaalsContact C-N 3.35Å; D16-N111 PolarHBondContact O-OD1 2.72Å; D16-K116 WeakPolarHBondContact O-CE 3.2Å; D16-K116 PolarHBondContact O-NZ 3.46Å; D16-Y124 WeakPolarHBondContact OD1-CE1 3.14Å; D16-Y124 VanDerWaalsContact OD1-CZ 3.23Å; D16-Y124 PolarHBondContact OD1-OH 3.26Å; D16-I159 HydrophobicContact CB-CD1 4.41Å; D16-R160 IonicContact OD1-NE 3.86Å; D16-R160 IonicContact OD1-NH2 3.25Å; D16-R160 IonicContact OD2-NE 2.88Å; D16-R160 PolarHBondContact OD2-NE 3.09Å; D16-R160 VanDerWaalsContact OD2-NE 3.12Å
17T92.7Very high77.5Confident10 Ų1061.3 Ų61.36%0.06139%0.388CS..THydrogen-bonded Turntrans-84.7-9-179.365.50000113.7D15 W157 P314D15-T17 PolarHBondContact O-N 2.85Å; D15-T17 WeakPolarHBondContact OD1-CB 3.15Å; D15-T17 PolarHBondContact OD1-N 3.45Å; D15-T17 PolarHBondContact OD1-OG1 3.19Å; T17-W157 HydrophobicContact CG2-CH2 3.93Å; T17-W157 HydrophobicContact CG2-CZ3 3.84Å; T17-P314 HydrophobicContact CG2-CB 3.63Å; T17-P314 HydrophobicContact CG2-CG 3.91Å
18V93.1Very high80.2Confident35 Ų3559.7 Ų59.721%0.21237%0.371CS..SBendtrans-67.9124.1173.9-178.90000108.6D15 D16 R42 K116D15-V18 HydrophobicContact CB-CG2 3.73Å; D15-V18 PolarHBondContact O-N 3.18Å; D16-V18 VanDerWaalsContact C-N 3.35Å; V18-R42 HydrophobicContact CB-CG 4.09Å; V18-R42 HydrophobicContact CG1-CG 3.52Å; V18-K116 PolarHBondContact O-NZ 3.2Å
19P92.6Very high82.9Confident69 Ų6957.3 Ų57.345%0.44836%0.357SS..PPolyproline II helixtrans-64.9144.4-175.225.4-34.2000111.1G43P19-G43 PolarHBondContact O-N 3.33Å
20L96.1Very high85.5Confident5 Ų555 Ų553%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-103.6128.9168.7-60.3-175.3000108.3V40 Q41 R42 W50 T104 K116 L119 D120L20-V40 HydrophobicContact CB-CG1 4.3Å; L20-V40 HydrophobicContact CD1-CG1 4.46Å; L20-V40 HydrophobicContact CD2-CG1 4.46Å; L20-Q41 CarbonylContact C-O 3.56Å; L20-Q41 WeakPolarHBondContact CA-O 3.45Å; L20-R42 HydrophobicContact CD2-CB 3.56Å; L20-R42 HydrophobicContact CD2-CG 3.83Å; L20-W50 HydrophobicContact CD2-CH2 3.89Å; L20-W50 HydrophobicContact CD2-CZ2 4.42Å; L20-T104 WeakPolarHBondContact O-CB 3.38Å; L20-T104 WeakPolarHBondContact O-CG2 3.49Å; L20-K116 HydrophobicContact CD1-CD 3.76Å; L20-K116 HydrophobicContact CG-CD 4.21Å; L20-L119 HydrophobicContact CB-CD1 4Å; L20-L119 HydrophobicContact CD1-CB 3.77Å; L20-L119 HydrophobicContact CD1-CD1 4.24Å; L20-D120 HydrophobicContact CD1-CB 4.28Å
21T96.4Very high87.8Confident73 Ų7362.1 Ų62.145%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-105.9148.9167.758.20000108.8V40 Q41T21-V40 CarbonylContact O-C 3.59Å; T21-V40 VanDerWaalsContact O-CA 3.3Å; T21-V40 WeakPolarHBondContact O-CA 3.4Å; T21-Q41 PolarHBondContact N-O 2.96Å; T21-Q41 PolarHBondContact O-N 2.95Å; T21-Q41 PolarHBondContact OG1-O 3.48Å
22A97.8Very high89.8Confident9 Ų958 Ų587%0.07434%0.338CS..EExtended strand (participates in β ladder)trans-139.4130.1-175.900000110.7I38 R39 V40 Q97 L100 L119A22-I38 HydrophobicContact CB-CG2 3.9Å; A22-R39 CarbonylContact C-O 3.48Å; A22-R39 WeakPolarHBondContact CA-O 3.48Å; A22-V40 HydrophobicContact CB-CG2 4.44Å; A22-Q97 PolarHBondContact O-NE2 2.89Å; A22-L100 HydrophobicContact CB-CB 4.47Å; A22-L100 HydrophobicContact CB-CD1 4.12Å; A22-L100 HydrophobicContact CB-CD2 4.25Å; A22-L119 HydrophobicContact CB-CD2 3.81Å
23A98.1Very high91.5Very high35 Ų3552.8 Ų52.829%0.28930%0.304SS..EExtended strand (participates in β ladder)trans-130.9128.4178.300000110.3E25 I38 R39A23-E25 PolarHBondContact O-N 3.08Å; A23-I38 CarbonylContact O-C 3.51Å; A23-I38 WeakPolarHBondContact O-CA 3.38Å; A23-R39 PolarHBondContact N-O 2.94Å; A23-R39 PolarHBondContact O-N 2.98Å
24I98.2Very high92.2Very high16 Ų1651 Ų518%0.08230%0.295CS..EExtended strand (participates in β ladder)trans-77.7112.4172.7-53.3176.2000107.8Y36 I37 I38 Q93 L96 Q97 L100I24-Y36 HydrophobicContact CG2-CD1 4.14Å; I24-I37 WeakPolarHBondContact CA-O 3.43Å; I24-I38 HydrophobicContact CG1-CG1 4.25Å; I24-Q93 HydrophobicContact CB-CG 4.28Å; I24-Q93 HydrophobicContact CD1-CG 4.37Å; I24-Q93 HydrophobicContact CG2-CG 3.8Å; I24-L96 HydrophobicContact CD1-CB 3.66Å; I24-Q97 HydrophobicContact CD1-CB 4.29Å; I24-L100 HydrophobicContact CD1-CD1 4.16Å; I24-L100 HydrophobicContact CG1-CD1 3.8Å
25E96.8Very high92.6Very high91 Ų9151.2 Ų51.243%0.42530%0.295SS..EExtended strand (participates in β ladder)trans-90.9-34.4-176.2-61.6-170.5143.400111.8A23 I37 R39 Q51A23-E25 PolarHBondContact O-N 3.08Å; E25-I37 PolarHBondContact N-O 2.88Å; E25-R39 HydrophobicContact CG-CB 3.89Å; E25-R39 VanDerWaalsContact OE1-CB 3.27Å; E25-R39 WeakPolarHBondContact OE1-CB 3.43Å; E25-R39 WeakPolarHBondContact OE1-CD 3.5Å; E25-R39 IonicContact OE1-NE 3.77Å; E25-R39 PolarHBondContact OE1-NE 3.36Å; E25-Q51 PolarHBondContact OE2-NE2 3.28Å
26A95.1Very high92.8Very high41 Ų4150.8 Ų50.834%0.33929%0.293SS..EExtended strand (participates in β ladder)trans-154.5166.4-179.100000111I37A26-I37 HydrophobicContact CB-CB 4.41Å; A26-I37 HydrophobicContact CB-CD1 4.23Å; A26-I37 PolarHBondContact O-N 3.32Å
27S93.5Very high93.1Very high43 Ų4351.7 Ų51.730%0.30130%0.297SS..EExtended strand (participates in β ladder)trans-128.1142.7167.162.20000109.3E35S27-E35 CarbonylContact C-O 3.15Å; S27-E35 WeakPolarHBondContact CA-O 3.4Å
28Q92.6Very high93.4Very high78 Ų7851.2 Ų51.236%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-121.1137.5172.565-176.11600110.4T34 E35Q28-T34 WeakPolarHBondContact O-CA 3.33Å; Q28-E35 HydrophobicContact CG-CB 3.87Å; Q28-E35 PolarHBondContact N-O 3.44Å; Q28-E35 PolarHBondContact NE2-OE2 2.79Å; Q28-E35 PolarHBondContact O-N 3.39Å
29S88.9Confident93.6Very high74 Ų7453.1 Ų53.152%0.51730%0.298SS..EExtended strand (participates in β ladder)trans-98.2109.5179-61.90000108.9
30L87.1Confident93.9Very high70 Ų7049.9 Ų49.937%0.36628%0.277SS..  trans-89.8164.7169.2-58.8-179.4000109.6S32 H33 E35 M84L30-S32 PolarHBondContact O-N 3.5Å; L30-H33 WeakPolarHBondContact CA-O 3.42Å; L30-H33 WeakPolarHBondContact CB-O 3.47Å; L30-H33 PolarHBondContact N-O 3.09Å; L30-H33 PolarHBondContact O-N 3.27Å; L30-E35 VanDerWaalsContact CD1-CD 3.49Å; L30-E35 HydrophobicContact CD1-CG 4.07Å; L30-E35 WeakPolarHBondContact CD1-OE2 3.28Å; L30-M84 WeakPolarHBondContact O-CE 3.44Å
31Q79.9Confident93.9Very high213 Ų21350.8 Ų50.8100%0.99528%0.281SS*.SBendtrans-54.2-30.4-174.6-72.1178.2-10.400114.1
32S85.1Confident93.8Very high95 Ų9548 Ų4866%0.66426%0.262SS*.SBendtrans-110.6-16.1-176.758.90000115L30L30-S32 PolarHBondContact O-N 3.5Å
33H87.8Confident93.5Very high41 Ų4148.4 Ų48.419%0.1927%0.267CS..  trans-164162.8-173.861.3-75.6000113.1L30 E35L30-H33 WeakPolarHBondContact CA-O 3.42Å; L30-H33 WeakPolarHBondContact CB-O 3.47Å; L30-H33 PolarHBondContact N-O 3.09Å; L30-H33 PolarHBondContact O-N 3.27Å; H33-E35 WeakPolarHBondContact NE2-CG 3.4Å; H33-E35 IonicContact NE2-OE1 3.39Å; H33-E35 PolarHBondContact NE2-OE1 2.91Å
34T92.2Very high93Very high12 Ų1249.3 Ų49.37%0.07427%0.267CS..EExtended strand (participates in β ladder)trans-96.3132.6169.8-45.70000110.6Q28 Y36 R55 I89Q28-T34 WeakPolarHBondContact O-CA 3.33Å; T34-Y36 HydrophobicContact CG2-CE1 4.41Å; T34-Y36 HydrophobicContact CG2-CE2 4.4Å; T34-R55 WeakPolarHBondContact O-CB 3.25Å; T34-I89 HydrophobicContact CG2-CD1 4.18Å; T34-I89 HydrophobicContact CG2-CG1 4.28Å; T34-I89 HydrophobicContact CG2-CG2 3.92Å
35E95.9Very high92.4Very high41 Ų4151.1 Ų51.119%0.19228%0.281CS..EExtended strand (participates in β ladder)trans-108.4145.7171.5-63.4-174.7140.100110.5S27 Q28 L30 H33 V53S27-E35 CarbonylContact C-O 3.15Å; S27-E35 WeakPolarHBondContact CA-O 3.4Å; Q28-E35 HydrophobicContact CG-CB 3.87Å; Q28-E35 PolarHBondContact N-O 3.44Å; Q28-E35 PolarHBondContact NE2-OE2 2.79Å; Q28-E35 PolarHBondContact O-N 3.39Å; L30-E35 VanDerWaalsContact CD1-CD 3.49Å; L30-E35 HydrophobicContact CD1-CG 4.07Å; L30-E35 WeakPolarHBondContact CD1-OE2 3.28Å; H33-E35 WeakPolarHBondContact NE2-CG 3.4Å; H33-E35 IonicContact NE2-OE1 3.39Å; H33-E35 PolarHBondContact NE2-OE1 2.91Å; E35-V53 HydrophobicContact CB-CG1 3.67Å; E35-V53 HydrophobicContact CG-CG1 4.06Å
36Y97.5Very high91.7Very high0 Ų050.9 Ų50.90%029%0.285CS..EExtended strand (participates in β ladder)trans-113.1126.3178.7-57.6-86.5000108.5I24 T34 V53 R54 F59 R92 Q93 L96I24-Y36 HydrophobicContact CG2-CD1 4.14Å; T34-Y36 HydrophobicContact CG2-CE1 4.41Å; T34-Y36 HydrophobicContact CG2-CE2 4.4Å; Y36-V53 WeakPolarHBondContact O-CA 3.33Å; Y36-R54 WeakPolarHBondContact CD2-O 3.5Å; Y36-R54 PolarHBondContact N-O 2.7Å; Y36-R54 PolarHBondContact O-N 3.26Å; Y36-F59 HydrophobicContact CD2-CE2 4.48Å; Y36-R92 WeakPolarHBondContact OH-CD 3.22Å; Y36-R92 WeakPolarHBondContact OH-CG 3.24Å; Y36-Q93 HydrophobicContact CD1-CB 4.37Å; Y36-Q93 HydrophobicContact CD1-CG 4.43Å; Y36-Q93 HydrophobicContact CE1-CB 3.98Å; Y36-L96 HydrophobicContact CD1-CD1 4.25Å; Y36-L96 HydrophobicContact CD2-CD1 3.7Å; Y36-L96 HydrophobicContact CE1-CD1 3.98Å; Y36-L96 HydrophobicContact CE2-CD1 3.42Å; Y36-L96 VanDerWaalsContact CE2-CD1 3.42Å; Y36-L96 HydrophobicContact CG-CD1 4.13Å
37I98.2Very high91.3Very high34 Ų3457.7 Ų57.717%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-89.7113.9176.2-57.1175.8000107I24 E25 A26 Q51I24-I37 WeakPolarHBondContact CA-O 3.43Å; E25-I37 PolarHBondContact N-O 2.88Å; A26-I37 HydrophobicContact CB-CB 4.41Å; A26-I37 HydrophobicContact CB-CD1 4.23Å; A26-I37 PolarHBondContact O-N 3.32Å; I37-Q51 HydrophobicContact CG2-CB 4.41Å; I37-Q51 HydrophobicContact CG2-CG 4.27Å
38I98.5Very high91.2Very high0 Ų059.1 Ų59.10%031%0.314CS..EExtended strand (participates in β ladder)trans-112.9118.6-173.9-46.1176.5000108.2A22 A23 I24 V40 Q51 I52 R54 F59 L100A22-I38 HydrophobicContact CB-CG2 3.9Å; A23-I38 CarbonylContact O-C 3.51Å; A23-I38 WeakPolarHBondContact O-CA 3.38Å; I24-I38 HydrophobicContact CG1-CG1 4.25Å; I38-V40 HydrophobicContact CG2-CG2 4.22Å; I38-Q51 CarbonylContact O-C 3.52Å; I38-Q51 WeakPolarHBondContact O-CA 3.5Å; I38-I52 HydrophobicContact CB-CD1 4.41Å; I38-I52 HydrophobicContact CB-CG1 3.78Å; I38-I52 HydrophobicContact CD1-CD1 4.34Å; I38-I52 HydrophobicContact CD1-CG1 4.34Å; I38-I52 HydrophobicContact CG1-CG1 4.39Å; I38-I52 HydrophobicContact CG2-CG1 4.48Å; I38-I52 PolarHBondContact N-O 2.97Å; I38-I52 PolarHBondContact O-N 3.17Å; I38-R54 HydrophobicContact CD1-CB 3.94Å; I38-R54 HydrophobicContact CD1-CG 3.86Å; I38-F59 HydrophobicContact CD1-CE2 4.23Å; I38-F59 HydrophobicContact CD1-CZ 3.65Å; I38-L100 HydrophobicContact CD1-CD1 4.28Å; I38-L100 HydrophobicContact CG2-CD1 4.03Å
39R98.1Very high91.4Very high76 Ų7657.3 Ų57.329%0.28731%0.311SS..EExtended strand (participates in β ladder)trans-80.5122.2166-176.4171.868.191.46.5109.3A22 A23 E25 W50A22-R39 CarbonylContact C-O 3.48Å; A22-R39 WeakPolarHBondContact CA-O 3.48Å; A23-R39 PolarHBondContact N-O 2.94Å; A23-R39 PolarHBondContact O-N 2.98Å; E25-R39 HydrophobicContact CG-CB 3.89Å; E25-R39 VanDerWaalsContact OE1-CB 3.27Å; E25-R39 WeakPolarHBondContact OE1-CB 3.43Å; E25-R39 WeakPolarHBondContact OE1-CD 3.5Å; E25-R39 IonicContact OE1-NE 3.77Å; E25-R39 PolarHBondContact OE1-NE 3.36Å; R39-W50 WeakPolarHBondContact CA-O 3.44Å
40V98.1Very high91.7Very high0 Ų056.5 Ų56.50%030%0.296CS..EExtended strand (participates in β ladder)trans-107.2134.7175.1-176.80000108.2L20 T21 A22 I38 S49 W50 I52 L119L20-V40 HydrophobicContact CB-CG1 4.3Å; L20-V40 HydrophobicContact CD1-CG1 4.46Å; L20-V40 HydrophobicContact CD2-CG1 4.46Å; T21-V40 CarbonylContact O-C 3.59Å; T21-V40 VanDerWaalsContact O-CA 3.3Å; T21-V40 WeakPolarHBondContact O-CA 3.4Å; A22-V40 HydrophobicContact CB-CG2 4.44Å; I38-V40 HydrophobicContact CG2-CG2 4.22Å; V40-S49 CarbonylContact O-C 3.5Å; V40-S49 WeakPolarHBondContact O-CA 3.43Å; V40-S49 WeakPolarHBondContact O-CB 3.43Å; V40-W50 HydrophobicContact CB-CD2 4.33Å; V40-W50 HydrophobicContact CB-CZ2 3.88Å; V40-W50 HydrophobicContact CG1-CH2 3.95Å; V40-W50 HydrophobicContact CG1-CZ2 3.35Å; V40-W50 PolarHBondContact N-O 2.74Å; V40-W50 PolarHBondContact O-N 3.35Å; V40-I52 HydrophobicContact CG2-CD1 3.86Å; V40-I52 HydrophobicContact CG2-CG1 3.99Å; V40-L119 HydrophobicContact CG1-CB 4.08Å; V40-L119 HydrophobicContact CG2-CB 4.31Å; V40-L119 HydrophobicContact CG2-CD2 4.07Å
41Q96.3Very high92.2Very high24 Ų2459 Ų5911%0.11231%0.306CS..EExtended strand (participates in β ladder)trans-126.8131.5177.4177.2-174-41.200109.9L20 T21 G43 S45 N48L20-Q41 CarbonylContact C-O 3.56Å; L20-Q41 WeakPolarHBondContact CA-O 3.45Å; T21-Q41 PolarHBondContact N-O 2.96Å; T21-Q41 PolarHBondContact O-N 2.95Å; T21-Q41 PolarHBondContact OG1-O 3.48Å; Q41-G43 PolarHBondContact NE2-O 3.33Å; Q41-S45 WeakPolarHBondContact CG-O 3.34Å; Q41-N48 WeakPolarHBondContact CA-O 3.36Å
42R94.2Very high93.1Very high15 Ų1549.4 Ų49.46%0.05726%0.261CS..EExtended strand (participates in β ladder)trans-98.4115.7176.7179.1179.8-68.4-94.13.3110.7D15 V18 L20 N48 W50 D120 Y124D15-R42 PolarHBondContact O-NH1 2.97Å; D15-R42 VanDerWaalsContact O-NH1 3.16Å; V18-R42 HydrophobicContact CB-CG 4.09Å; V18-R42 HydrophobicContact CG1-CG 3.52Å; L20-R42 HydrophobicContact CD2-CB 3.56Å; L20-R42 HydrophobicContact CD2-CG 3.83Å; R42-N48 PolarHBondContact N-O 2.89Å; R42-N48 PolarHBondContact O-ND2 2.95Å; R42-W50 HydrophobicContact CB-CH2 3.86Å; R42-W50 HydrophobicContact CB-CZ3 3.83Å; R42-D120 IonicContact CZ-OD2 3.61Å; R42-D120 IonicContact NE-OD2 3.68Å; R42-D120 IonicContact NH2-OD2 2.83Å; R42-D120 PolarHBondContact NH2-OD2 2.83Å; R42-Y124 PolarHBondContact NH2-OH 2.89Å
43G92Very high93.7Very high18 Ų1847.7 Ų47.719%0.18625%0.247CC..THydrogen-bonded Turntrans67.6-152.9-177.500000112.3P19 Q41P19-G43 PolarHBondContact O-N 3.33Å; Q41-G43 PolarHBondContact NE2-O 3.33Å
44I87.3Confident94.2Very high53 Ų5348 Ų4827%0.27225%0.246SC..THydrogen-bonded Turntrans-91-14.3-170.763.8-176.8000114.3V46 Q436 I437 H440I44-V46 PolarHBondContact O-N 2.99Å; I44-Q436 HydrophobicContact CD1-CB 3.88Å; I44-Q436 WeakPolarHBondContact CD1-O 3.48Å; I44-I437 VanDerWaalsContact CD1-CA 3.45Å; I44-I437 HydrophobicContact CD1-CB 4.31Å; I44-I437 HydrophobicContact CD1-CG1 3.88Å; I44-I437 VanDerWaalsContact CD1-N 3.35Å; I44-H440 HydrophobicContact CB-CB 4.2Å; I44-H440 HydrophobicContact CD1-CB 3.86Å; I44-H440 HydrophobicContact CG1-CB 4.39Å; I44-H440 PolarHBondContact O-CE1 3.46Å; I44-H440 PolarHBondContact O-ND1 3.39Å
45S85.5Confident94.4Very high54 Ų5452.6 Ų52.638%0.37826%0.262SS..  trans-79.5120.9-179.7-177.30000110Q41 E47 N48Q41-S45 WeakPolarHBondContact CG-O 3.34Å; S45-E47 PolarHBondContact O-N 2.9Å; S45-E47 PolarHBondContact OG-N 3.01Å; S45-N48 PolarHBondContact O-N 2.84Å; S45-N48 VanDerWaalsContact O-N 3.14Å
46V82Confident94.4Very high87 Ų8752 Ų5253%0.52726%0.258SS..THydrogen-bonded Turntrans-66.2-30.6177.5-176.90000111I44 N48 S49I44-V46 PolarHBondContact O-N 2.99Å; V46-N48 PolarHBondContact O-N 2.85Å; V46-S49 WeakPolarHBondContact O-CB 3.48Å; V46-S49 PolarHBondContact O-OG 3.21Å
47E85.9Confident94.3Very high183 Ų18353.8 Ų53.886%0.85527%0.271SS*.THydrogen-bonded Turntrans-67.3-24175.8-63.3174.3-172.200112.2S45 S49S45-E47 PolarHBondContact O-N 2.9Å; S45-E47 PolarHBondContact OG-N 3.01Å; E47-S49 PolarHBondContact O-N 2.79Å
48N91.9Very high94.3Very high73 Ų7354.1 Ų54.139%0.3927%0.273SS..SBendtrans-86.357.1173.8-164.79.5000110.7Q41 R42 S45 V46Q41-N48 WeakPolarHBondContact CA-O 3.36Å; R42-N48 PolarHBondContact N-O 2.89Å; R42-N48 PolarHBondContact O-ND2 2.95Å; S45-N48 PolarHBondContact O-N 2.84Å; S45-N48 VanDerWaalsContact O-N 3.14Å; V46-N48 PolarHBondContact O-N 2.85Å
49S96Very high94.3Very high41 Ų4154.1 Ų54.129%0.28727%0.273SS..EExtended strand (participates in β ladder)trans-133.8154.3177.966.30000112.4V40 V46 E47V40-S49 CarbonylContact O-C 3.5Å; V40-S49 WeakPolarHBondContact O-CA 3.43Å; V40-S49 WeakPolarHBondContact O-CB 3.43Å; V46-S49 WeakPolarHBondContact O-CB 3.48Å; V46-S49 PolarHBondContact O-OG 3.21Å; E47-S49 PolarHBondContact O-N 2.79Å
50W97Very high94.3Very high57 Ų5751.6 Ų51.622%0.21627%0.265CS..EExtended strand (participates in β ladder)trans-146.3164.5177.859.893.8000109.3L20 R39 V40 R42 L119 D120L20-W50 HydrophobicContact CD2-CH2 3.89Å; L20-W50 HydrophobicContact CD2-CZ2 4.42Å; R39-W50 WeakPolarHBondContact CA-O 3.44Å; V40-W50 HydrophobicContact CB-CD2 4.33Å; V40-W50 HydrophobicContact CB-CZ2 3.88Å; V40-W50 HydrophobicContact CG1-CH2 3.95Å; V40-W50 HydrophobicContact CG1-CZ2 3.35Å; V40-W50 PolarHBondContact N-O 2.74Å; V40-W50 PolarHBondContact O-N 3.35Å; R42-W50 HydrophobicContact CB-CH2 3.86Å; R42-W50 HydrophobicContact CB-CZ3 3.83Å; W50-L119 PolarHBondContact NE1-O 3.38Å; W50-D120 HydrophobicContact CH2-CB 4.4Å; W50-D120 HydrophobicContact CZ2-CB 3.64Å
51Q97.6Very high94.3Very high123 Ų12356.7 Ų56.758%0.57529%0.292SS*.EExtended strand (participates in β ladder)trans-101.8142172.8-73.5179.4-25.300110.5E25 I37 I38E25-Q51 PolarHBondContact OE2-NE2 3.28Å; I37-Q51 HydrophobicContact CG2-CB 4.41Å; I37-Q51 HydrophobicContact CG2-CG 4.27Å; I38-Q51 CarbonylContact O-C 3.52Å; I38-Q51 WeakPolarHBondContact O-CA 3.5Å
52I98.1Very high94.4Very high11 Ų1156.1 Ų56.16%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-124153.1166.865.1174.6000109.1I38 V40 R54 F118 L119I38-I52 HydrophobicContact CB-CD1 4.41Å; I38-I52 HydrophobicContact CB-CG1 3.78Å; I38-I52 HydrophobicContact CD1-CD1 4.34Å; I38-I52 HydrophobicContact CD1-CG1 4.34Å; I38-I52 HydrophobicContact CG1-CG1 4.39Å; I38-I52 HydrophobicContact CG2-CG1 4.48Å; I38-I52 PolarHBondContact N-O 2.97Å; I38-I52 PolarHBondContact O-N 3.17Å; V40-I52 HydrophobicContact CG2-CD1 3.86Å; V40-I52 HydrophobicContact CG2-CG1 3.99Å; I52-R54 HydrophobicContact CD1-CG 4.14Å; I52-R54 HydrophobicContact CG1-CG 4.46Å; I52-F118 VanDerWaalsContact CD1-O 3.31Å; I52-F118 WeakPolarHBondContact CD1-O 3.47Å; I52-L119 HydrophobicContact CD1-CD2 4.29Å
53V97.9Very high94.6Very high59 Ų5956.2 Ų56.236%0.35829%0.291SS..EExtended strand (participates in β ladder)trans-110.2130.1174.3-175.50000108.5E35 Y36E35-V53 HydrophobicContact CB-CG1 3.67Å; E35-V53 HydrophobicContact CG-CG1 4.06Å; Y36-V53 WeakPolarHBondContact O-CA 3.33Å
54R97.8Very high94.8Very high46 Ų4659.5 Ų59.517%0.17430%0.304CS..EExtended strand (participates in β ladder)trans-138.2143.5178.1-65.2-68.6178.1-104.33.8110Y36 I38 I52 D58 F59 F118Y36-R54 WeakPolarHBondContact CD2-O 3.5Å; Y36-R54 PolarHBondContact N-O 2.7Å; Y36-R54 PolarHBondContact O-N 3.26Å; I38-R54 HydrophobicContact CD1-CB 3.94Å; I38-R54 HydrophobicContact CD1-CG 3.86Å; I52-R54 HydrophobicContact CD1-CG 4.14Å; I52-R54 HydrophobicContact CG1-CG 4.46Å; R54-D58 WeakPolarHBondContact CA-OD2 3.43Å; R54-D58 HydrophobicContact CB-CB 4.47Å; R54-F59 HydrophobicContact CB-CD2 4.37Å; R54-F59 HydrophobicContact CB-CE2 3.77Å; R54-F59 HydrophobicContact CB-CZ 4.46Å; R54-F118 HydrophobicContact CB-CZ 4.1Å; R54-F118 HydrophobicContact CG-CE1 4.16Å; R54-F118 HydrophobicContact CG-CE2 3.97Å; R54-F118 HydrophobicContact CG-CZ 3.62Å; R54-F118 PolarHBondContact NE-O 2.94Å; R54-F118 PolarHBondContact NH2-O 2.86Å
55R96.2Very high95.3Very high110 Ų11059.8 Ų59.842%0.41531%0.311SS..EExtended strand (participates in β ladder)trans-104.3166169.955.6175.4-175.216710.6110.5T34 S57 D58 F59T34-R55 WeakPolarHBondContact O-CB 3.25Å; R55-S57 WeakPolarHBondContact CD-OG 3.4Å; R55-S57 WeakPolarHBondContact CG-OG 3.49Å; R55-S57 PolarHBondContact NE-OG 3.47Å; R55-S57 PolarHBondContact O-N 3.34Å; R55-S57 VanDerWaalsContact O-N 3.14Å; R55-D58 VanDerWaalsContact CG-OD2 3.26Å; R55-D58 WeakPolarHBondContact CG-OD2 3.37Å; R55-D58 PolarHBondContact N-OD2 3.1Å; R55-D58 IonicContact NE-OD1 2.73Å; R55-D58 WeakPolarHBondContact O-CB 3.47Å; R55-D58 PolarHBondContact O-N 2.94Å; R55-F59 WeakPolarHBondContact O-CD2 3.28Å
56Y95.9Very high95.9Very high28 Ų2857.2 Ų57.211%0.1129%0.293CS..Hα-helixtrans-51.9-40.4-178.7175.9-84.8000113.1D58 F59 D60 P76 K78 R92 L96Y56-D58 PolarHBondContact O-N 3.31Å; Y56-F59 WeakPolarHBondContact O-CB 3.43Å; Y56-F59 PolarHBondContact O-N 2.97Å; Y56-F59 VanDerWaalsContact O-N 3.13Å; Y56-D60 HydrophobicContact CE1-CB 4.06Å; Y56-D60 PolarHBondContact O-N 3.26Å; Y56-P76 HydrophobicContact CE2-CG 4.33Å; Y56-P76 VanDerWaalsContact CE2-O 3.28Å; Y56-P76 WeakPolarHBondContact CE2-O 3.35Å; Y56-P76 PolarHBondContact OH-O 3.43Å; Y56-K78 HydrophobicContact CE1-CD 4.26Å; Y56-K78 HydrophobicContact CE1-CG 3.5Å; Y56-K78 VanDerWaalsContact CE1-CG 3.5Å; Y56-K78 WeakPolarHBondContact OH-CG 3.36Å; Y56-R92 HydrophobicContact CD2-CG 4.37Å; Y56-L96 HydrophobicContact CD2-CD2 4.38Å
57S95.8Very high96.6Very high38 Ų3857.6 Ų57.627%0.26629%0.289SS..Hα-helixtrans-62.8-27.3179.359.30000113.3R55 D60 L61R55-S57 WeakPolarHBondContact CD-OG 3.4Å; R55-S57 WeakPolarHBondContact CG-OG 3.49Å; R55-S57 PolarHBondContact NE-OG 3.47Å; R55-S57 PolarHBondContact O-N 3.34Å; R55-S57 VanDerWaalsContact O-N 3.14Å; S57-D60 WeakPolarHBondContact O-CB 3.27Å; S57-D60 PolarHBondContact O-N 2.95Å; S57-L61 WeakPolarHBondContact O-CB 3.5Å; S57-L61 VanDerWaalsContact O-CG 3.27Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.43Å
58D97.9Very high97.1Very high40 Ų4052.4 Ų52.421%0.21427%0.267CS..Hα-helixtrans-71.8-37.7177.6-50.2-28.5000110.3R54 R55 Y56 L61 L62 F118R54-D58 WeakPolarHBondContact CA-OD2 3.43Å; R54-D58 HydrophobicContact CB-CB 4.47Å; R55-D58 VanDerWaalsContact CG-OD2 3.26Å; R55-D58 WeakPolarHBondContact CG-OD2 3.37Å; R55-D58 PolarHBondContact N-OD2 3.1Å; R55-D58 IonicContact NE-OD1 2.73Å; R55-D58 WeakPolarHBondContact O-CB 3.47Å; R55-D58 PolarHBondContact O-N 2.94Å; Y56-D58 PolarHBondContact O-N 3.31Å; D58-L61 PolarHBondContact O-N 3.2Å; D58-L62 WeakPolarHBondContact O-CB 3.43Å; D58-L62 PolarHBondContact O-N 3.03Å; D58-F118 HydrophobicContact CB-CE2 3.98Å
59F98.4Very high97.3Very high0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-65-41.3171.2-71.8-93000111.6Y36 I38 R54 R55 Y56 L62 N63 L75 L96 Y99 L100 F118Y36-F59 HydrophobicContact CD2-CE2 4.48Å; I38-F59 HydrophobicContact CD1-CE2 4.23Å; I38-F59 HydrophobicContact CD1-CZ 3.65Å; R54-F59 HydrophobicContact CB-CD2 4.37Å; R54-F59 HydrophobicContact CB-CE2 3.77Å; R54-F59 HydrophobicContact CB-CZ 4.46Å; R55-F59 WeakPolarHBondContact O-CD2 3.28Å; Y56-F59 WeakPolarHBondContact O-CB 3.43Å; Y56-F59 PolarHBondContact O-N 2.97Å; Y56-F59 VanDerWaalsContact O-N 3.13Å; F59-L62 PolarHBondContact O-N 2.75Å; F59-N63 VanDerWaalsContact O-CB 3.28Å; F59-N63 WeakPolarHBondContact O-CB 3.35Å; F59-N63 PolarHBondContact O-N 3.09Å; F59-L75 HydrophobicContact CB-CD1 3.81Å; F59-L96 HydrophobicContact CB-CD2 3.99Å; F59-L96 HydrophobicContact CD1-CD2 3.83Å; F59-L96 HydrophobicContact CD2-CD1 4.15Å; F59-L96 HydrophobicContact CD2-CD2 3.98Å; F59-L96 HydrophobicContact CE1-CB 4.36Å; F59-L96 HydrophobicContact CE1-CD2 4.22Å; F59-L96 HydrophobicContact CE2-CD1 4.01Å; F59-L96 HydrophobicContact CE2-CD2 4.37Å; F59-L96 HydrophobicContact CG-CD2 3.69Å; F59-L96 HydrophobicContact CZ-CB 4.32Å; F59-L96 HydrophobicContact CZ-CD1 4.4Å; F59-L96 HydrophobicContact CZ-CD2 4.46Å; F59-Y99 AromaticContact CD1-CD1 3.82Å; F59-Y99 HydrophobicContact CD1-CD1 3.82Å; F59-Y99 HydrophobicContact CD1-CE1 4.04Å; F59-Y99 HydrophobicContact CE1-CD1 4.3Å; F59-L100 HydrophobicContact CE1-CD1 4.36Å; F59-L100 HydrophobicContact CE1-CD2 3.81Å; F59-L100 HydrophobicContact CE1-CG 3.92Å; F59-L100 HydrophobicContact CZ-CD1 4.44Å; F59-L100 HydrophobicContact CZ-CD2 4.45Å; F59-L100 HydrophobicContact CZ-CG 4.48Å; F59-F118 HydrophobicContact CD1-CE1 4.31Å; F59-F118 AromaticContact CD1-CZ 3.79Å; F59-F118 HydrophobicContact CD1-CZ 3.79Å; F59-F118 HydrophobicContact CD2-CZ 4.07Å; F59-F118 AromaticContact CE1-CE1 3.96Å; F59-F118 HydrophobicContact CE1-CE1 3.96Å; F59-F118 AromaticContact CE1-CZ 3.74Å; F59-F118 HydrophobicContact CE1-CZ 3.74Å; F59-F118 HydrophobicContact CE2-CZ 4.02Å; F59-F118 AromaticContact CG-CZ 3.97Å; F59-F118 HydrophobicContact CG-CZ 3.97Å; F59-F118 HydrophobicContact CZ-CE1 4.23Å; F59-F118 AromaticContact CZ-CZ 3.87Å; F59-F118 HydrophobicContact CZ-CZ 3.87Å
60D97.8Very high97.2Very high24 Ų2449.1 Ų49.113%0.12826%0.256CS..Hα-helixtrans-60.4-45.5175.8-166.773.1000111.4Y56 S57 N63 N64 L75 K78Y56-D60 HydrophobicContact CE1-CB 4.06Å; Y56-D60 PolarHBondContact O-N 3.26Å; S57-D60 WeakPolarHBondContact O-CB 3.27Å; S57-D60 PolarHBondContact O-N 2.95Å; D60-N63 PolarHBondContact O-N 3.02Å; D60-N64 WeakPolarHBondContact O-CB 3.4Å; D60-N64 PolarHBondContact O-N 3.24Å; D60-N64 PolarHBondContact O-ND2 3.47Å; D60-N64 VanDerWaalsContact O-ND2 3.11Å; D60-L75 HydrophobicContact CB-CD2 4.47Å; D60-K78 VanDerWaalsContact CG-NZ 3.32Å; D60-K78 WeakPolarHBondContact OD1-CE 3.44Å; D60-K78 IonicContact OD1-NZ 2.69Å; D60-K78 PolarHBondContact OD1-NZ 3.35Å; D60-K78 WeakPolarHBondContact OD2-CE 3.38Å; D60-K78 IonicContact OD2-NZ 3.96Å; D60-K78 PolarHBondContact OD2-NZ 3.09Å
61L98.1Very high97.1Very high107 Ų10748.2 Ų48.256%0.5626%0.255SS*.Hα-helixtrans-62.7-43.2175.5-73172.5000112.5S57 D58 N64 S65S57-L61 WeakPolarHBondContact O-CB 3.5Å; S57-L61 VanDerWaalsContact O-CG 3.27Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.43Å; D58-L61 PolarHBondContact O-N 3.2Å; L61-N64 PolarHBondContact O-N 3.11Å; L61-S65 WeakPolarHBondContact O-CB 3.49Å; L61-S65 PolarHBondContact O-N 3.1Å; L61-S65 PolarHBondContact O-OG 2.99Å
62L98.4Very high97Very high11 Ų1148.4 Ų48.46%0.05827%0.27CS..Hα-helixtrans-61.3-48.5174.2176.964.4000110.7D58 F59 N64 S65 L66 Y99 I103 L114 F118D58-L62 WeakPolarHBondContact O-CB 3.43Å; D58-L62 PolarHBondContact O-N 3.03Å; F59-L62 PolarHBondContact O-N 2.75Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.15Å; L62-S65 WeakPolarHBondContact O-CB 3.47Å; L62-S65 PolarHBondContact O-N 2.95Å; L62-S65 VanDerWaalsContact O-N 3.1Å; L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.1Å; L62-L66 HydrophobicContact CD2-CD1 4.46Å; L62-L66 HydrophobicContact CG-CD1 3.92Å; L62-L66 HydrophobicContact CG-CG 4.34Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 2.8Å; L62-Y99 HydrophobicContact CD2-CE1 4.12Å; L62-I103 HydrophobicContact CD2-CD1 3.89Å; L62-L114 HydrophobicContact CD1-CB 3.98Å; L62-F118 HydrophobicContact CB-CD2 4.13Å; L62-F118 HydrophobicContact CB-CE2 4.43Å; L62-F118 HydrophobicContact CD1-CB 4.3Å; L62-F118 HydrophobicContact CD2-CB 3.94Å; L62-F118 HydrophobicContact CD2-CD1 3.89Å; L62-F118 HydrophobicContact CD2-CD2 3.85Å; L62-F118 HydrophobicContact CD2-CE1 4.34Å; L62-F118 HydrophobicContact CD2-CE2 4.29Å; L62-F118 HydrophobicContact CD2-CG 3.62Å; L62-F118 HydrophobicContact CG-CD2 4.48Å
63N98.2Very high96.9Very high17 Ų1748.7 Ų48.79%0.09127%0.272CS..Hα-helixtrans-60-42.3-179.7-178.873.3000112F59 D60 S65 L66 Q67 L75 Y99F59-N63 VanDerWaalsContact O-CB 3.28Å; F59-N63 WeakPolarHBondContact O-CB 3.35Å; F59-N63 PolarHBondContact O-N 3.09Å; D60-N63 PolarHBondContact O-N 3.02Å; N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 3.44Å; N63-L66 PolarHBondContact O-N 3.47Å; N63-Q67 PolarHBondContact ND2-NE2 3.09Å; N63-Q67 WeakPolarHBondContact O-CG 3.48Å; N63-Q67 PolarHBondContact O-N 2.87Å; N63-Q67 PolarHBondContact O-NE2 3.35Å; N63-L75 HydrophobicContact CB-CD1 4.46Å; N63-L75 HydrophobicContact CB-CD2 3.88Å; N63-Y99 VanDerWaalsContact CA-OH 3.31Å; N63-Y99 WeakPolarHBondContact CA-OH 3.48Å; N63-Y99 HydrophobicContact CB-CE2 4.16Å; N63-Y99 WeakPolarHBondContact CB-OH 3.42Å; N63-Y99 PolarHBondContact N-OH 3.3Å
64N97.9Very high96.8Very high87 Ų8748.3 Ų48.347%0.46527%0.27SS..Hα-helixtrans-61.7-41.3174.6-70.4-27.3000111.5D60 L61 L62 L66 Q67D60-N64 WeakPolarHBondContact O-CB 3.4Å; D60-N64 PolarHBondContact O-N 3.24Å; D60-N64 PolarHBondContact O-ND2 3.47Å; D60-N64 VanDerWaalsContact O-ND2 3.11Å; L61-N64 PolarHBondContact O-N 3.11Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.15Å; N64-L66 VanDerWaalsContact C-N 3.31Å; N64-L66 PolarHBondContact O-N 3.17Å; N64-Q67 WeakPolarHBondContact O-CB 3.39Å; N64-Q67 WeakPolarHBondContact O-CG 3.38Å; N64-Q67 PolarHBondContact O-N 2.98Å
65S97.6Very high96.8Very high59 Ų5947.6 Ų47.641%0.41327%0.27SS..Hα-helixtrans-67.4-32.2176.7-55.60000112.5L61 L62 N63 Q67L61-S65 WeakPolarHBondContact O-CB 3.49Å; L61-S65 PolarHBondContact O-N 3.1Å; L61-S65 PolarHBondContact O-OG 2.99Å; L62-S65 WeakPolarHBondContact O-CB 3.47Å; L62-S65 PolarHBondContact O-N 2.95Å; L62-S65 VanDerWaalsContact O-N 3.1Å; N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 3.44Å; S65-Q67 VanDerWaalsContact C-N 3.33Å
66L97.8Very high96.8Very high0 Ų043.2 Ų43.20%026%0.256CS..Hα-helixtrans-80.7-7178.4-69.2179.1000114L62 N63 N64 I68 A69 L73 I103 L109 L114 V115 L248L62-L66 HydrophobicContact CD1-CD1 4.03Å; L62-L66 HydrophobicContact CD1-CG 4.1Å; L62-L66 HydrophobicContact CD2-CD1 4.46Å; L62-L66 HydrophobicContact CG-CD1 3.92Å; L62-L66 HydrophobicContact CG-CG 4.34Å; L62-L66 WeakPolarHBondContact O-CG 3.45Å; L62-L66 PolarHBondContact O-N 2.8Å; N63-L66 PolarHBondContact O-N 3.47Å; N64-L66 VanDerWaalsContact C-N 3.31Å; N64-L66 PolarHBondContact O-N 3.17Å; L66-I68 PolarHBondContact O-N 2.86Å; L66-I68 VanDerWaalsContact O-N 3.07Å; L66-A69 WeakPolarHBondContact O-CB 3.39Å; L66-A69 PolarHBondContact O-N 3.15Å; L66-L73 HydrophobicContact CB-CD1 3.82Å; L66-L73 HydrophobicContact CD1-CD1 3.74Å; L66-L73 HydrophobicContact CG-CD1 4.45Å; L66-I103 HydrophobicContact CD1-CG2 4.21Å; L66-L109 HydrophobicContact CD2-CD2 4.1Å; L66-L114 HydrophobicContact CD2-CB 4.14Å; L66-L114 HydrophobicContact CD2-CD1 3.82Å; L66-V115 HydrophobicContact CD1-CG2 4.09Å; L66-V115 HydrophobicContact CD2-CG2 4.35Å; L66-L248 HydrophobicContact CD2-CD1 4.47Å
67Q96.6Very high96.6Very high96 Ų9646.8 Ų46.845%0.44928%0.282SS..G310 helixtrans-56.8-27.3177.4-68.9-57.3-51.500113N63 N64 S65 A69 G70N63-Q67 PolarHBondContact ND2-NE2 3.09Å; N63-Q67 WeakPolarHBondContact O-CG 3.48Å; N63-Q67 PolarHBondContact O-N 2.87Å; N63-Q67 PolarHBondContact O-NE2 3.35Å; N64-Q67 WeakPolarHBondContact O-CB 3.39Å; N64-Q67 WeakPolarHBondContact O-CG 3.38Å; N64-Q67 PolarHBondContact O-N 2.98Å; S65-Q67 VanDerWaalsContact C-N 3.33Å; Q67-A69 PolarHBondContact O-N 2.96Å; Q67-A69 VanDerWaalsContact O-N 3.16Å; Q67-G70 PolarHBondContact O-N 3.44Å
68I95.9Very high96.3Very high74 Ų7450.9 Ų50.938%0.37930%0.295SS..G310 helixtrans-59.2-25174.7-168.2165.2000113.4L66 G70 P246 L248 K249L66-I68 PolarHBondContact O-N 2.86Å; L66-I68 VanDerWaalsContact O-N 3.07Å; I68-G70 PolarHBondContact O-N 2.73Å; I68-P246 HydrophobicContact CD1-CB 3.86Å; I68-P246 HydrophobicContact CD1-CG 3.86Å; I68-L248 HydrophobicContact CG2-CB 4.1Å; I68-L248 HydrophobicContact CG2-CD1 4.04Å; I68-K249 HydrophobicContact CD1-CB 4.47Å; I68-K249 HydrophobicContact CG1-CB 3.91Å; I68-K249 HydrophobicContact CG1-CG 4.49Å; I68-K249 VanDerWaalsContact O-CA 3.32Å; I68-K249 WeakPolarHBondContact O-CA 3.44Å
69A95.9Very high95.7Very high2 Ų252.5 Ų52.52%0.01730%0.3CS..G310 helixtrans-69.8-15.5175.100000112.8L66 Q67 L71 L109 L248 C252 N253L66-A69 WeakPolarHBondContact O-CB 3.39Å; L66-A69 PolarHBondContact O-N 3.15Å; Q67-A69 PolarHBondContact O-N 2.96Å; Q67-A69 VanDerWaalsContact O-N 3.16Å; A69-L71 HydrophobicContact CB-CD1 4.25Å; A69-L71 HydrophobicContact CB-CG 4.35Å; A69-L71 PolarHBondContact O-N 3.1Å; A69-L109 HydrophobicContact CB-CD2 4Å; A69-L248 HydrophobicContact CB-CB 4.4Å; A69-C252 HydrophobicContact CB-CB 3.64Å; A69-C252 VanDerWaalsContact O-CB 3.29Å; A69-C252 WeakPolarHBondContact O-CB 3.47Å; A69-N253 WeakPolarHBondContact O-CB 3.5Å; A69-N253 PolarHBondContact O-N 3.49Å
70G95.2Very high94.6Very high42 Ų4260.3 Ų60.343%0.43334%0.341SS..  trans68.115.4-178.800000114.2Q67 I68 N253Q67-G70 PolarHBondContact O-N 3.44Å; I68-G70 PolarHBondContact O-N 2.73Å; G70-N253 PolarHBondContact O-ND2 2.84Å
71L94.6Very high93.4Very high38 Ų3866.3 Ų66.320%0.19937%0.372CS..  trans-92.4139.1180-68169.1000110.7A69 L73 L109 C252 N253A69-L71 HydrophobicContact CB-CD1 4.25Å; A69-L71 HydrophobicContact CB-CG 4.35Å; A69-L71 PolarHBondContact O-N 3.1Å; L71-L73 HydrophobicContact CB-CD2 4.07Å; L71-L73 HydrophobicContact CB-CG 4.36Å; L71-L73 PolarHBondContact O-N 3.44Å; L71-L73 VanDerWaalsContact O-N 3.14Å; L71-L109 HydrophobicContact CD1-CD1 3.75Å; L71-L109 HydrophobicContact CD1-CD2 4.32Å; L71-L109 HydrophobicContact CD1-CG 4.12Å; L71-C252 HydrophobicContact CD1-CB 4.14Å; L71-C252 HydrophobicContact CG-CB 4.41Å; L71-N253 HydrophobicContact CD2-CB 3.9Å; L71-N253 HydrophobicContact CG-CB 4.28Å
72S93.9Very high92.3Very high127 Ų12762.2 Ų62.289%0.88836%0.355SS*.  trans-8188.8169.3-176.50000109.5
73L96.4Very high91.2Very high18 Ų1864.6 Ų64.69%0.09437%0.368CS..  trans-79.1139.5179.7-59.4178.1000111.1L66 L71 L75 Y99 V102 I103 L109L66-L73 HydrophobicContact CB-CD1 3.82Å; L66-L73 HydrophobicContact CD1-CD1 3.74Å; L66-L73 HydrophobicContact CG-CD1 4.45Å; L71-L73 HydrophobicContact CB-CD2 4.07Å; L71-L73 HydrophobicContact CB-CG 4.36Å; L71-L73 PolarHBondContact O-N 3.44Å; L71-L73 VanDerWaalsContact O-N 3.14Å; L73-L75 PolarHBondContact O-N 3.4Å; L73-Y99 HydrophobicContact CB-CD2 4.19Å; L73-Y99 HydrophobicContact CB-CE2 3.7Å; L73-Y99 HydrophobicContact CD1-CE2 4.02Å; L73-Y99 HydrophobicContact CG-CE2 4.47Å; L73-V102 HydrophobicContact CD2-CG1 4.05Å; L73-I103 HydrophobicContact CD1-CG2 4.16Å; L73-I103 HydrophobicContact CD2-CG2 4.27Å; L73-L109 HydrophobicContact CD2-CD1 3.94Å
74P96.5Very high90.4Very high50 Ų5067 Ų6733%0.32538%0.38SS..  trans-82.962.2-173.335.4-37.5000111.9V102P74-V102 HydrophobicContact CG-CB 4.37Å; P74-V102 HydrophobicContact CG-CG2 3.89Å
75L97.4Very high89.8Confident32 Ų3266.3 Ų66.317%0.16838%0.376CS..PPolyproline II helixtrans-73125.6173.2-172.575.7000109.2F59 D60 N63 L73 L96 Y99F59-L75 HydrophobicContact CB-CD1 3.81Å; D60-L75 HydrophobicContact CB-CD2 4.47Å; N63-L75 HydrophobicContact CB-CD1 4.46Å; N63-L75 HydrophobicContact CB-CD2 3.88Å; L73-L75 PolarHBondContact O-N 3.4Å; L75-L96 HydrophobicContact CD1-CD2 4.18Å; L75-Y99 HydrophobicContact CB-CD2 4.05Å; L75-Y99 HydrophobicContact CB-CE2 4.16Å; L75-Y99 HydrophobicContact CD1-CD2 4.08Å; L75-Y99 HydrophobicContact CD1-CE2 4.14Å; L75-Y99 HydrophobicContact CD1-CG 4.4Å
76P95.8Very high89.3Confident18 Ų1873.5 Ų73.512%0.11739%0.394CS..PPolyproline II helixtrans-63.2149.2177.125.2-32.2000111Y56 R92 L96Y56-P76 HydrophobicContact CE2-CG 4.33Å; Y56-P76 VanDerWaalsContact CE2-O 3.28Å; Y56-P76 WeakPolarHBondContact CE2-O 3.35Å; Y56-P76 PolarHBondContact OH-O 3.43Å; P76-R92 HydrophobicContact CG-CG 4.22Å; P76-L96 HydrophobicContact CG-CD2 3.67Å; P76-L96 HydrophobicContact CG-CG 3.89Å
77P91.3Very high88.9Confident102 Ų10280.3 Ų80.366%0.66243%0.426SS*.PPolyproline II helixtrans-67.7155.7-173.126.3-34.3000114R92P77-R92 PolarHBondContact O-NH2 3.04Å; P77-R92 VanDerWaalsContact O-NH2 3.15Å
78K90.7Very high88.5Confident125 Ų12576.9 Ų76.954%0.54341%0.41SS..PPolyproline II helixtrans-67142.3166.4-69.9-179.9-179171.60109.2Y56 D60Y56-K78 HydrophobicContact CE1-CD 4.26Å; Y56-K78 HydrophobicContact CE1-CG 3.5Å; Y56-K78 VanDerWaalsContact CE1-CG 3.5Å; Y56-K78 WeakPolarHBondContact OH-CG 3.36Å; D60-K78 VanDerWaalsContact CG-NZ 3.32Å; D60-K78 WeakPolarHBondContact OD1-CE 3.44Å; D60-K78 IonicContact OD1-NZ 2.69Å; D60-K78 PolarHBondContact OD1-NZ 3.35Å; D60-K78 WeakPolarHBondContact OD2-CE 3.38Å; D60-K78 IonicContact OD2-NZ 3.96Å; D60-K78 PolarHBondContact OD2-NZ 3.09Å
79K86Confident88.2Confident73 Ų7373.8 Ų73.832%0.31739%0.394SS..  trans-128.8124.9172.8-168.6-175-177.6-159.30106.7I81 G82 N83 D85 F88K79-I81 WeakPolarHBondContact CD-O 3.16Å; K79-I81 WeakPolarHBondContact CE-O 3.32Å; K79-I81 VanDerWaalsContact CG-O 3.26Å; K79-I81 WeakPolarHBondContact CG-O 3.35Å; K79-G82 PolarHBondContact NZ-O 2.95Å; K79-N83 WeakPolarHBondContact O-CB 3.19Å; K79-D85 IonicContact NZ-OD2 3.82Å; K79-D85 PolarHBondContact NZ-OD2 3.28Å; K79-F88 HydrophobicContact CB-CD1 4.4Å; K79-F88 HydrophobicContact CB-CE1 3.51Å; K79-F88 HydrophobicContact CB-CE2 3.87Å; K79-F88 HydrophobicContact CB-CZ 3.19Å; K79-F88 HydrophobicContact CD-CB 4.43Å; K79-F88 HydrophobicContact CD-CD1 3.64Å; K79-F88 HydrophobicContact CD-CD2 3.51Å; K79-F88 HydrophobicContact CD-CE1 3.61Å; K79-F88 HydrophobicContact CD-CE2 3.52Å; K79-F88 HydrophobicContact CD-CG 3.56Å; K79-F88 HydrophobicContact CD-CZ 3.56Å; K79-F88 HydrophobicContact CG-CE1 4.16Å; K79-F88 HydrophobicContact CG-CE2 4.25Å; K79-F88 HydrophobicContact CG-CZ 3.97Å
80L74.8Confident88Confident165 Ų16576.5 Ų76.586%0.86442%0.416SS*.SBendtrans-93.1-26.5-173.7-66173000112.8
81I72.6Confident87.9Confident149 Ų14981.1 Ų81.176%0.76443%0.426SS*.SBendtrans-123.4134.3-180-58.7173000107.9K79 N83K79-I81 WeakPolarHBondContact CD-O 3.16Å; K79-I81 WeakPolarHBondContact CE-O 3.32Å; K79-I81 VanDerWaalsContact CG-O 3.26Å; K79-I81 WeakPolarHBondContact CG-O 3.35Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.23Å
82G74.4Confident87.9Confident21 Ų2180.1 Ų80.122%0.21642%0.42CS..SBendtrans68.230.7-177.200000113.3K79 M84 D85K79-G82 PolarHBondContact NZ-O 2.95Å; G82-M84 PolarHBondContact O-N 3.15Å; G82-D85 VanDerWaalsContact CA-CG 3.49Å; G82-D85 WeakPolarHBondContact CA-OD1 3.24Å; G82-D85 WeakPolarHBondContact CA-OD2 3.43Å; G82-D85 PolarHBondContact O-N 2.79Å
83N76.1Confident88Confident62 Ų6276.4 Ų76.433%0.33239%0.389SS..THydrogen-bonded Turntrans-72.7-13.7177.563.6-25.8000113.3K79 I81 F88K79-N83 WeakPolarHBondContact O-CB 3.19Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.23Å; N83-F88 HydrophobicContact CB-CE1 4.42Å
84M80.9Confident88.1Confident66 Ų6683.7 Ų83.733%0.32542%0.419SS..THydrogen-bonded Turntrans-101.81.2176.4-58-61.1-83.400112.8L30 G82 R86 I89L30-M84 WeakPolarHBondContact O-CE 3.44Å; G82-M84 PolarHBondContact O-N 3.15Å; M84-R86 PolarHBondContact O-N 3.25Å; M84-I89 WeakPolarHBondContact O-CD1 3.34Å
85D85.9Confident88.1Confident74 Ų7482.3 Ų82.340%0.39641%0.414SS..  trans-62134.7176.9-54.8-18.7000109.6K79 G82 E87 F88 I89K79-D85 IonicContact NZ-OD2 3.82Å; K79-D85 PolarHBondContact NZ-OD2 3.28Å; G82-D85 VanDerWaalsContact CA-CG 3.49Å; G82-D85 WeakPolarHBondContact CA-OD1 3.24Å; G82-D85 WeakPolarHBondContact CA-OD2 3.43Å; G82-D85 PolarHBondContact O-N 2.79Å; D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 2.84Å; D85-F88 HydrophobicContact CB-CB 4.04Å; D85-F88 PolarHBondContact O-N 3.47Å; D85-F88 VanDerWaalsContact O-N 3.15Å; D85-I89 WeakPolarHBondContact O-CG1 3.41Å; D85-I89 PolarHBondContact O-N 2.79Å
86R86.9Confident88.2Confident210 Ų21080.8 Ų80.879%0.79241%0.406SS*.Hα-helixtrans-61.2-41.8-173.9-174.2-178.5178.9-171.3-0.2112.2M84 F88 I89 A90M84-R86 PolarHBondContact O-N 3.25Å; R86-F88 VanDerWaalsContact C-N 3.31Å; R86-F88 PolarHBondContact O-N 3.45Å; R86-I89 PolarHBondContact O-N 3.08Å; R86-A90 PolarHBondContact O-N 2.92Å
87E88.3Confident88.3Confident143 Ų14381.9 Ų81.967%0.66841%0.41SS*.Hα-helixtrans-62.9-42.4178.5-65.367.3-145.400110.5D85 A90 E91D85-E87 VanDerWaalsContact C-N 3.33Å; D85-E87 PolarHBondContact O-N 2.84Å; E87-A90 PolarHBondContact O-N 3.42Å; E87-E91 PolarHBondContact O-N 2.86Å
88F89.6Confident88.7Confident23 Ų2380.8 Ų80.810%0.10140%0.398CS..Hα-helixtrans-69.2-40179.1179.5-111.5000112.6K79 N83 D85 R86 A90 E91 R92K79-F88 HydrophobicContact CB-CD1 4.4Å; K79-F88 HydrophobicContact CB-CE1 3.51Å; K79-F88 HydrophobicContact CB-CE2 3.87Å; K79-F88 HydrophobicContact CB-CZ 3.19Å; K79-F88 HydrophobicContact CD-CB 4.43Å; K79-F88 HydrophobicContact CD-CD1 3.64Å; K79-F88 HydrophobicContact CD-CD2 3.51Å; K79-F88 HydrophobicContact CD-CE1 3.61Å; K79-F88 HydrophobicContact CD-CE2 3.52Å; K79-F88 HydrophobicContact CD-CG 3.56Å; K79-F88 HydrophobicContact CD-CZ 3.56Å; K79-F88 HydrophobicContact CG-CE1 4.16Å; K79-F88 HydrophobicContact CG-CE2 4.25Å; K79-F88 HydrophobicContact CG-CZ 3.97Å; N83-F88 HydrophobicContact CB-CE1 4.42Å; D85-F88 HydrophobicContact CB-CB 4.04Å; D85-F88 PolarHBondContact O-N 3.47Å; D85-F88 VanDerWaalsContact O-N 3.15Å; R86-F88 VanDerWaalsContact C-N 3.31Å; R86-F88 PolarHBondContact O-N 3.45Å; F88-A90 VanDerWaalsContact C-N 3.3Å; F88-A90 PolarHBondContact O-N 2.79Å; F88-E91 PolarHBondContact O-N 3.23Å; F88-R92 VanDerWaalsContact CE1-NH2 3.3Å; F88-R92 VanDerWaalsContact O-CB 3.25Å; F88-R92 WeakPolarHBondContact O-CB 3.47Å; F88-R92 PolarHBondContact O-N 3.41Å
89I89.1Confident89Confident10 Ų1074.8 Ų74.85%0.05137%0.373CS..Hα-helixtrans-60.3-43.6173.8-69.3169.2000110.2T34 M84 D85 R86 R92 Q93T34-I89 HydrophobicContact CG2-CD1 4.18Å; T34-I89 HydrophobicContact CG2-CG1 4.28Å; T34-I89 HydrophobicContact CG2-CG2 3.92Å; M84-I89 WeakPolarHBondContact O-CD1 3.34Å; D85-I89 WeakPolarHBondContact O-CG1 3.41Å; D85-I89 PolarHBondContact O-N 2.79Å; R86-I89 PolarHBondContact O-N 3.08Å; I89-R92 PolarHBondContact O-N 2.91Å; I89-Q93 VanDerWaalsContact O-CB 3.3Å; I89-Q93 WeakPolarHBondContact O-CB 3.21Å; I89-Q93 PolarHBondContact O-N 2.8Å
90A91.3Very high89.6Confident58 Ų5871.3 Ų71.348%0.47936%0.357SS..Hα-helixtrans-64.1-43.4177.900000112.4R86 E87 F88 Q93 K94R86-A90 PolarHBondContact O-N 2.92Å; E87-A90 PolarHBondContact O-N 3.42Å; F88-A90 VanDerWaalsContact C-N 3.3Å; F88-A90 PolarHBondContact O-N 2.79Å; A90-Q93 PolarHBondContact O-N 3.37Å; A90-K94 PolarHBondContact O-N 3.14Å; A90-K94 VanDerWaalsContact O-N 3.16Å
91E93.4Very high90.7Very high139 Ų13966.8 Ų66.865%0.6533%0.334SS*.Hα-helixtrans-62-47.5174.9-173.4-173.2173.500111.4E87 F88 Q93 K94 G95E87-E91 PolarHBondContact O-N 2.86Å; F88-E91 PolarHBondContact O-N 3.23Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 2.98Å; E91-K94 WeakPolarHBondContact O-CB 3.09Å; E91-K94 PolarHBondContact O-N 3.46Å; E91-G95 PolarHBondContact O-N 3.48Å
92R95.1Very high91.9Very high17 Ų1762.3 Ų62.36%0.06431%0.313CS..Hα-helixtrans-62.4-40.6177.6179176.1-82.3171.6-8.1111.6Y36 Y56 P76 P77 F88 I89 K94 G95 L96Y36-R92 WeakPolarHBondContact OH-CD 3.22Å; Y36-R92 WeakPolarHBondContact OH-CG 3.24Å; Y56-R92 HydrophobicContact CD2-CG 4.37Å; P76-R92 HydrophobicContact CG-CG 4.22Å; P77-R92 PolarHBondContact O-NH2 3.04Å; P77-R92 VanDerWaalsContact O-NH2 3.15Å; F88-R92 VanDerWaalsContact CE1-NH2 3.3Å; F88-R92 VanDerWaalsContact O-CB 3.25Å; F88-R92 WeakPolarHBondContact O-CB 3.47Å; F88-R92 PolarHBondContact O-N 3.41Å; I89-R92 PolarHBondContact O-N 2.91Å; R92-K94 VanDerWaalsContact C-N 3.3Å; R92-K94 PolarHBondContact O-N 3.34Å; R92-G95 PolarHBondContact O-N 3.33Å; R92-G95 VanDerWaalsContact O-N 3.15Å; R92-L96 HydrophobicContact CG-CD1 4Å; R92-L96 HydrophobicContact CG-CG 4.14Å; R92-L96 WeakPolarHBondContact O-CB 3.43Å; R92-L96 WeakPolarHBondContact O-CG 3.4Å; R92-L96 PolarHBondContact O-N 2.79Å
93Q96.3Very high93Very high50 Ų5061.3 Ų61.323%0.23430%0.303CS..Hα-helixtrans-56.8-45.6174.9178.4172.9-23.500110.9I24 Y36 I89 A90 E91 G95 L96 Q97I24-Q93 HydrophobicContact CB-CG 4.28Å; I24-Q93 HydrophobicContact CD1-CG 4.37Å; I24-Q93 HydrophobicContact CG2-CG 3.8Å; Y36-Q93 HydrophobicContact CD1-CB 4.37Å; Y36-Q93 HydrophobicContact CD1-CG 4.43Å; Y36-Q93 HydrophobicContact CE1-CB 3.98Å; I89-Q93 VanDerWaalsContact O-CB 3.3Å; I89-Q93 WeakPolarHBondContact O-CB 3.21Å; I89-Q93 PolarHBondContact O-N 2.8Å; A90-Q93 PolarHBondContact O-N 3.37Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 2.98Å; Q93-G95 PolarHBondContact O-N 3.48Å; Q93-L96 PolarHBondContact O-N 3.46Å; Q93-Q97 WeakPolarHBondContact O-CB 3.44Å; Q93-Q97 PolarHBondContact O-N 3.01Å
94K96.9Very high94Very high170 Ų17059.4 Ų59.474%0.73929%0.294SS*.Hα-helixtrans-62.1-42.7175.2-173.5-178.8178.2-1760111.9A90 E91 R92 Q97 N98A90-K94 PolarHBondContact O-N 3.14Å; A90-K94 VanDerWaalsContact O-N 3.16Å; E91-K94 WeakPolarHBondContact O-CB 3.09Å; E91-K94 PolarHBondContact O-N 3.46Å; R92-K94 VanDerWaalsContact C-N 3.3Å; R92-K94 PolarHBondContact O-N 3.34Å; K94-Q97 PolarHBondContact O-N 3.13Å; K94-N98 PolarHBondContact O-N 3.42Å
95G98.1Very high94.6Very high21 Ų2161.8 Ų61.822%0.21631%0.312CS..Hα-helixtrans-61.6-45.1175.600000113.1E91 R92 Q93 N98 Y99E91-G95 PolarHBondContact O-N 3.48Å; R92-G95 PolarHBondContact O-N 3.33Å; R92-G95 VanDerWaalsContact O-N 3.15Å; Q93-G95 PolarHBondContact O-N 3.48Å; G95-N98 WeakPolarHBondContact O-CB 3.27Å; G95-N98 PolarHBondContact O-N 3.04Å; G95-Y99 PolarHBondContact O-N 3.34Å
96L98.5Very high94.9Very high0 Ų060.7 Ų60.70%031%0.306CS..Hα-helixtrans-66.7-36.2177-68.1177.5000112I24 Y36 Y56 F59 L75 P76 R92 Q93 N98 Y99 L100I24-L96 HydrophobicContact CD1-CB 3.66Å; Y36-L96 HydrophobicContact CD1-CD1 4.25Å; Y36-L96 HydrophobicContact CD2-CD1 3.7Å; Y36-L96 HydrophobicContact CE1-CD1 3.98Å; Y36-L96 HydrophobicContact CE2-CD1 3.42Å; Y36-L96 VanDerWaalsContact CE2-CD1 3.42Å; Y36-L96 HydrophobicContact CG-CD1 4.13Å; Y56-L96 HydrophobicContact CD2-CD2 4.38Å; F59-L96 HydrophobicContact CB-CD2 3.99Å; F59-L96 HydrophobicContact CD1-CD2 3.83Å; F59-L96 HydrophobicContact CD2-CD1 4.15Å; F59-L96 HydrophobicContact CD2-CD2 3.98Å; F59-L96 HydrophobicContact CE1-CB 4.36Å; F59-L96 HydrophobicContact CE1-CD2 4.22Å; F59-L96 HydrophobicContact CE2-CD1 4.01Å; F59-L96 HydrophobicContact CE2-CD2 4.37Å; F59-L96 HydrophobicContact CG-CD2 3.69Å; F59-L96 HydrophobicContact CZ-CB 4.32Å; F59-L96 HydrophobicContact CZ-CD1 4.4Å; F59-L96 HydrophobicContact CZ-CD2 4.46Å; L75-L96 HydrophobicContact CD1-CD2 4.18Å; P76-L96 HydrophobicContact CG-CD2 3.67Å; P76-L96 HydrophobicContact CG-CG 3.89Å; R92-L96 HydrophobicContact CG-CD1 4Å; R92-L96 HydrophobicContact CG-CG 4.14Å; R92-L96 WeakPolarHBondContact O-CB 3.43Å; R92-L96 WeakPolarHBondContact O-CG 3.4Å; R92-L96 PolarHBondContact O-N 2.79Å; Q93-L96 PolarHBondContact O-N 3.46Å; L96-N98 VanDerWaalsContact C-N 3.35Å; L96-Y99 WeakPolarHBondContact O-CB 3.36Å; L96-Y99 PolarHBondContact O-N 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 2.82Å
97Q98.6Very high95.1Very high41 Ų4152.5 Ų52.519%0.19228%0.277CS..Hα-helixtrans-62.7-42.5172.7-176.660.457.500111.5A22 I24 Q93 K94 Y99 L100 N101A22-Q97 PolarHBondContact O-NE2 2.89Å; I24-Q97 HydrophobicContact CD1-CB 4.29Å; Q93-Q97 WeakPolarHBondContact O-CB 3.44Å; Q93-Q97 PolarHBondContact O-N 3.01Å; K94-Q97 PolarHBondContact O-N 3.13Å; Q97-Y99 VanDerWaalsContact C-N 3.33Å; Q97-Y99 PolarHBondContact O-N 2.64Å; Q97-L100 PolarHBondContact O-N 3.41Å; Q97-N101 PolarHBondContact NE2-OD1 2.9Å; Q97-N101 PolarHBondContact O-N 2.92Å; Q97-N101 PolarHBondContact O-ND2 3.44Å; Q97-N101 PolarHBondContact O-OD1 3.19Å
98N98.4Very high95.4Very high79 Ų7947.2 Ų47.242%0.42225%0.253SS..Hα-helixtrans-62.2-42.3175.1-174.347.2000111.6K94 G95 L96 L100 N101 V102K94-N98 PolarHBondContact O-N 3.42Å; G95-N98 WeakPolarHBondContact O-CB 3.27Å; G95-N98 PolarHBondContact O-N 3.04Å; L96-N98 VanDerWaalsContact C-N 3.35Å; N98-L100 PolarHBondContact O-N 3.33Å; N98-N101 WeakPolarHBondContact O-CB 3.45Å; N98-N101 PolarHBondContact O-N 3.45Å; N98-V102 WeakPolarHBondContact O-CG2 3.38Å; N98-V102 PolarHBondContact O-N 3.23Å
99Y98.6Very high95.7Very high0 Ų046.1 Ų46.10%025%0.248CC..Hα-helixtrans-57.1-47.5173.7179.9-88.4000112F59 L62 N63 L73 L75 G95 L96 Q97 N101 V102 I103F59-Y99 AromaticContact CD1-CD1 3.82Å; F59-Y99 HydrophobicContact CD1-CD1 3.82Å; F59-Y99 HydrophobicContact CD1-CE1 4.04Å; F59-Y99 HydrophobicContact CE1-CD1 4.3Å; L62-Y99 HydrophobicContact CD2-CE1 4.12Å; N63-Y99 VanDerWaalsContact CA-OH 3.31Å; N63-Y99 WeakPolarHBondContact CA-OH 3.48Å; N63-Y99 HydrophobicContact CB-CE2 4.16Å; N63-Y99 WeakPolarHBondContact CB-OH 3.42Å; N63-Y99 PolarHBondContact N-OH 3.3Å; L73-Y99 HydrophobicContact CB-CD2 4.19Å; L73-Y99 HydrophobicContact CB-CE2 3.7Å; L73-Y99 HydrophobicContact CD1-CE2 4.02Å; L73-Y99 HydrophobicContact CG-CE2 4.47Å; L75-Y99 HydrophobicContact CB-CD2 4.05Å; L75-Y99 HydrophobicContact CB-CE2 4.16Å; L75-Y99 HydrophobicContact CD1-CD2 4.08Å; L75-Y99 HydrophobicContact CD1-CE2 4.14Å; L75-Y99 HydrophobicContact CD1-CG 4.4Å; G95-Y99 PolarHBondContact O-N 3.34Å; L96-Y99 WeakPolarHBondContact O-CB 3.36Å; L96-Y99 PolarHBondContact O-N 3.31Å; Q97-Y99 VanDerWaalsContact C-N 3.33Å; Q97-Y99 PolarHBondContact O-N 2.64Å; Y99-N101 VanDerWaalsContact C-N 3.35Å; Y99-N101 PolarHBondContact O-N 3.17Å; Y99-V102 PolarHBondContact O-N 2.77Å; Y99-I103 HydrophobicContact CD1-CD1 4.23Å; Y99-I103 HydrophobicContact CD1-CG2 4.48Å; Y99-I103 HydrophobicContact CE1-CD1 3.82Å; Y99-I103 HydrophobicContact CE1-CG2 4.07Å; Y99-I103 HydrophobicContact CE2-CG2 4.45Å; Y99-I103 PolarHBondContact O-N 2.78Å; Y99-I103 VanDerWaalsContact O-N 3.1Å
100L98.6Very high96Very high0 Ų046.2 Ų46.20%025%0.25CC..Hα-helixtrans-58.1-45175.1-72.5173.8000112A22 I24 I38 F59 L96 Q97 N98 V102 I103 T104 F118 L119A22-L100 HydrophobicContact CB-CB 4.47Å; A22-L100 HydrophobicContact CB-CD1 4.12Å; A22-L100 HydrophobicContact CB-CD2 4.25Å; I24-L100 HydrophobicContact CD1-CD1 4.16Å; I24-L100 HydrophobicContact CG1-CD1 3.8Å; I38-L100 HydrophobicContact CD1-CD1 4.28Å; I38-L100 HydrophobicContact CG2-CD1 4.03Å; F59-L100 HydrophobicContact CE1-CD1 4.36Å; F59-L100 HydrophobicContact CE1-CD2 3.81Å; F59-L100 HydrophobicContact CE1-CG 3.92Å; F59-L100 HydrophobicContact CZ-CD1 4.44Å; F59-L100 HydrophobicContact CZ-CD2 4.45Å; F59-L100 HydrophobicContact CZ-CG 4.48Å; L96-L100 WeakPolarHBondContact O-CG 3.48Å; L96-L100 PolarHBondContact O-N 2.82Å; Q97-L100 PolarHBondContact O-N 3.41Å; N98-L100 PolarHBondContact O-N 3.33Å; L100-V102 VanDerWaalsContact C-N 3.33Å; L100-V102 PolarHBondContact O-N 3.27Å; L100-I103 HydrophobicContact CD2-CD1 4.29Å; L100-I103 WeakPolarHBondContact O-CG1 3.38Å; L100-I103 PolarHBondContact O-N 3.24Å; L100-T104 WeakPolarHBondContact O-CB 3.34Å; L100-T104 WeakPolarHBondContact O-CG2 3.33Å; L100-T104 PolarHBondContact O-N 3.29Å; L100-T104 PolarHBondContact O-OG1 3.17Å; L100-F118 HydrophobicContact CD2-CE1 4.09Å; L100-L119 HydrophobicContact CD2-CD2 4.12Å
101N98Very high96.1Very high70 Ų7044.3 Ų44.337%0.37423%0.232SC..Hα-helixtrans-59.9-43.9178.8-66.4-13.9000111.4Q97 N98 Y99 T104 T105Q97-N101 PolarHBondContact NE2-OD1 2.9Å; Q97-N101 PolarHBondContact O-N 2.92Å; Q97-N101 PolarHBondContact O-ND2 3.44Å; Q97-N101 PolarHBondContact O-OD1 3.19Å; N98-N101 WeakPolarHBondContact O-CB 3.45Å; N98-N101 PolarHBondContact O-N 3.45Å; Y99-N101 VanDerWaalsContact C-N 3.35Å; Y99-N101 PolarHBondContact O-N 3.17Å; N101-T104 PolarHBondContact O-OG1 3.14Å; N101-T105 WeakPolarHBondContact O-CB 3.33Å; N101-T105 PolarHBondContact O-N 3.43Å; N101-T105 PolarHBondContact O-OG1 2.66Å
102V97.4Very high96.2Very high54 Ų5438.3 Ų38.333%0.32720%0.204SC..Hα-helixtrans-64-49.9179.5170.20000111.6L73 P74 N98 Y99 L100 T104 T105 N106L73-V102 HydrophobicContact CD2-CG1 4.05Å; P74-V102 HydrophobicContact CG-CB 4.37Å; P74-V102 HydrophobicContact CG-CG2 3.89Å; N98-V102 WeakPolarHBondContact O-CG2 3.38Å; N98-V102 PolarHBondContact O-N 3.23Å; Y99-V102 PolarHBondContact O-N 2.77Å; L100-V102 VanDerWaalsContact C-N 3.33Å; L100-V102 PolarHBondContact O-N 3.27Å; V102-T104 VanDerWaalsContact C-N 3.32Å; V102-T104 PolarHBondContact O-N 2.98Å; V102-T105 PolarHBondContact O-N 3.3Å; V102-N106 PolarHBondContact O-N 3.32Å; V102-N106 VanDerWaalsContact O-N 3.12Å
103I97.6Very high96.2Very high0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-70.2-28.6-176.767.8174.6000112.8L62 L66 L73 Y99 L100 L109 S110 V115L62-I103 HydrophobicContact CD2-CD1 3.89Å; L66-I103 HydrophobicContact CD1-CG2 4.21Å; L73-I103 HydrophobicContact CD1-CG2 4.16Å; L73-I103 HydrophobicContact CD2-CG2 4.27Å; Y99-I103 HydrophobicContact CD1-CD1 4.23Å; Y99-I103 HydrophobicContact CD1-CG2 4.48Å; Y99-I103 HydrophobicContact CE1-CD1 3.82Å; Y99-I103 HydrophobicContact CE1-CG2 4.07Å; Y99-I103 HydrophobicContact CE2-CG2 4.45Å; Y99-I103 PolarHBondContact O-N 2.78Å; Y99-I103 VanDerWaalsContact O-N 3.1Å; L100-I103 HydrophobicContact CD2-CD1 4.29Å; L100-I103 WeakPolarHBondContact O-CG1 3.38Å; L100-I103 PolarHBondContact O-N 3.24Å; I103-L109 HydrophobicContact CB-CD1 4.48Å; I103-L109 HydrophobicContact CG2-CD1 4.26Å; I103-S110 PolarHBondContact O-N 3.07Å; I103-V115 HydrophobicContact CB-CG2 4.36Å; I103-V115 HydrophobicContact CD1-CG1 4.14Å; I103-V115 HydrophobicContact CD1-CG2 4.3Å; I103-V115 HydrophobicContact CG1-CG1 4.38Å
104T96.5Very high96.3Very high22 Ų2240.6 Ų40.614%0.13522%0.218CC..Hα-helixtrans-84.5-23.2178.654.40000113.1L20 L100 N101 V102 S110 L119L20-T104 WeakPolarHBondContact O-CB 3.38Å; L20-T104 WeakPolarHBondContact O-CG2 3.49Å; L100-T104 WeakPolarHBondContact O-CB 3.34Å; L100-T104 WeakPolarHBondContact O-CG2 3.33Å; L100-T104 PolarHBondContact O-N 3.29Å; L100-T104 PolarHBondContact O-OG1 3.17Å; N101-T104 PolarHBondContact O-OG1 3.14Å; V102-T104 VanDerWaalsContact C-N 3.32Å; V102-T104 PolarHBondContact O-N 2.98Å; T104-S110 VanDerWaalsContact O-CB 3.28Å; T104-S110 WeakPolarHBondContact O-CB 3.4Å; T104-L119 HydrophobicContact CG2-CD1 3.73Å
105T93.2Very high96.3Very high116 Ų11632.5 Ų32.571%0.71218%0.183SC*.Hα-helixtrans-85.7-30.6176.7-55.90000112.5N101 V102 H107N101-T105 WeakPolarHBondContact O-CB 3.33Å; N101-T105 PolarHBondContact O-N 3.43Å; N101-T105 PolarHBondContact O-OG1 2.66Å; V102-T105 PolarHBondContact O-N 3.3Å; T105-H107 PolarHBondContact O-N 3.01Å
106N93.6Very high96.2Very high51 Ų5131.5 Ų31.527%0.27317%0.172SC..SBendtrans-69.1119.3175.2-177.3-69.1000110.7V102 I108 L109 S110V102-N106 PolarHBondContact O-N 3.32Å; V102-N106 VanDerWaalsContact O-N 3.12Å; N106-I108 VanDerWaalsContact C-N 3.31Å; N106-I108 PolarHBondContact O-N 3.34Å; N106-I108 PolarHBondContact OD1-N 3.04Å; N106-L109 HydrophobicContact CB-CB 4.07Å; N106-L109 HydrophobicContact CB-CD1 4.12Å; N106-L109 HydrophobicContact CB-CG 4.1Å; N106-L109 PolarHBondContact O-N 2.59Å; N106-L109 PolarHBondContact OD1-N 3.04Å; N106-S110 VanDerWaalsContact O-CB 3.29Å; N106-S110 WeakPolarHBondContact O-CB 3.36Å; N106-S110 PolarHBondContact O-N 3.15Å; N106-S110 PolarHBondContact O-OG 3.03Å
107H90.4Very high96.2Very high39 Ų3936.2 Ų36.218%0.18119%0.193CC..Hα-helixtrans-58.9-36.7-174.5177.369.2000113.9T105 S110 N111 F316 Y320T105-H107 PolarHBondContact O-N 3.01Å; H107-S110 PolarHBondContact O-OG 3.12Å; H107-N111 PolarHBondContact CE1-ND2 2.59Å; H107-N111 PolarHBondContact ND1-ND2 3.22Å; H107-N111 PolarHBondContact O-ND2 3.4Å; H107-F316 AromaticContact CD2-CZ 3.83Å; H107-F316 AromaticContact NE2-CE1 3.98Å; H107-F316 AromaticContact NE2-CE2 3.51Å; H107-F316 AromaticContact NE2-CZ 3.45Å; H107-F316 WeakPolarHBondContact NE2-CZ 3.22Å; H107-Y320 AromaticContact CE1-CE2 3.68Å; H107-Y320 AromaticContact ND1-CE2 3.85Å
108I94.1Very high96.1Very high32 Ų3235 Ų3516%0.16419%0.187CC..Hα-helixtrans-77.1-45.2-179.2-61.9173000110.4N106 N111 C112 F247 L248 Y251 C252N106-I108 VanDerWaalsContact C-N 3.31Å; N106-I108 PolarHBondContact O-N 3.34Å; N106-I108 PolarHBondContact OD1-N 3.04Å; I108-N111 PolarHBondContact O-N 2.99Å; I108-C112 PolarHBondContact O-N 2.87Å; I108-F247 HydrophobicContact CD1-CE1 4.48Å; I108-F247 HydrophobicContact CG1-CE1 4.35Å; I108-F247 HydrophobicContact CG2-CD1 4.02Å; I108-F247 HydrophobicContact CG2-CE1 3.73Å; I108-L248 HydrophobicContact CG2-CD2 3.56Å; I108-Y251 VanDerWaalsContact CD1-O 3.26Å; I108-Y251 WeakPolarHBondContact CD1-O 3.33Å; I108-C252 WeakPolarHBondContact CG2-SG 3.36Å
109L96.1Very high96.1Very high0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-65.7-44.5-179.9-63.3-175.1000112L66 A69 L71 L73 I103 N106 N111 C112 V115L66-L109 HydrophobicContact CD2-CD2 4.1Å; A69-L109 HydrophobicContact CB-CD2 4Å; L71-L109 HydrophobicContact CD1-CD1 3.75Å; L71-L109 HydrophobicContact CD1-CD2 4.32Å; L71-L109 HydrophobicContact CD1-CG 4.12Å; L73-L109 HydrophobicContact CD2-CD1 3.94Å; I103-L109 HydrophobicContact CB-CD1 4.48Å; I103-L109 HydrophobicContact CG2-CD1 4.26Å; N106-L109 HydrophobicContact CB-CB 4.07Å; N106-L109 HydrophobicContact CB-CD1 4.12Å; N106-L109 HydrophobicContact CB-CG 4.1Å; N106-L109 PolarHBondContact O-N 2.59Å; N106-L109 PolarHBondContact OD1-N 3.04Å; L109-N111 PolarHBondContact O-N 2.75Å; L109-N111 VanDerWaalsContact O-N 3.17Å; L109-C112 PolarHBondContact O-N 2.72Å; L109-C112 PolarHBondContact O-SG 3.31Å; L109-V115 HydrophobicContact CB-CG2 4.46Å; L109-V115 WeakPolarHBondContact O-CB 3.23Å; L109-V115 VanDerWaalsContact O-CG2 3.29Å; L109-V115 WeakPolarHBondContact O-CG2 3.37Å
110S95.4Very high96Very high12 Ų1231.5 Ų31.58%0.08417%0.168CC..Hα-helixtrans-65.7-20.2-177670000113.8I103 T104 N106 H107 K116I103-S110 PolarHBondContact O-N 3.07Å; T104-S110 VanDerWaalsContact O-CB 3.28Å; T104-S110 WeakPolarHBondContact O-CB 3.4Å; N106-S110 VanDerWaalsContact O-CB 3.29Å; N106-S110 WeakPolarHBondContact O-CB 3.36Å; N106-S110 PolarHBondContact O-N 3.15Å; N106-S110 PolarHBondContact O-OG 3.03Å; H107-S110 PolarHBondContact O-OG 3.12Å; S110-K116 WeakPolarHBondContact O-CD 3.49Å; S110-K116 WeakPolarHBondContact O-CE 3.44Å; S110-K116 PolarHBondContact O-NZ 2.69Å
111N94.1Very high95.8Very high18 Ų1833.4 Ų33.410%0.09618%0.181CC..THydrogen-bonded Turntrans-99.6-2.8176-72.8-60.5000113.9D16 H107 I108 L109D16-N111 PolarHBondContact O-OD1 2.72Å; H107-N111 PolarHBondContact CE1-ND2 2.59Å; H107-N111 PolarHBondContact ND1-ND2 3.22Å; H107-N111 PolarHBondContact O-ND2 3.4Å; I108-N111 PolarHBondContact O-N 2.99Å; L109-N111 PolarHBondContact O-N 2.75Å; L109-N111 VanDerWaalsContact O-N 3.17Å
112C95.5Very high95.5Very high12 Ų1236.3 Ų36.38%0.08120%0.196CC..SBendtrans-81.9151.8179.385.70000112.3I108 L109 L114 V115 K116 L248I108-C112 PolarHBondContact O-N 2.87Å; L109-C112 PolarHBondContact O-N 2.72Å; L109-C112 PolarHBondContact O-SG 3.31Å; C112-L114 PolarHBondContact O-N 2.83Å; C112-V115 PolarHBondContact O-N 3.41Å; C112-K116 WeakPolarHBondContact O-CG 3.45Å; C112-K116 PolarHBondContact O-N 3.13Å; C112-K116 VanDerWaalsContact O-N 3.09Å; C112-L248 HydrophobicContact CB-CD1 4.3Å; C112-L248 HydrophobicContact CB-CD2 3.88Å
113E95.2Very high95.2Very high50 Ų5037.3 Ų37.323%0.23420%0.2CC..Hα-helixtrans-57-37.8-177.7-171.1173163.700112.4K116 K117 I159 K162E113-K116 PolarHBondContact O-N 2.89Å; E113-K117 WeakPolarHBondContact O-CB 3.42Å; E113-K117 PolarHBondContact O-N 2.93Å; E113-I159 HydrophobicContact CB-CD1 4.42Å; E113-I159 HydrophobicContact CB-CG1 4.08Å; E113-I159 HydrophobicContact CB-CG2 4.08Å; E113-I159 HydrophobicContact CG-CG2 3.85Å; E113-K162 IonicContact OE2-NZ 3.47Å; E113-K162 PolarHBondContact OE2-NZ 3.16Å; E113-K162 VanDerWaalsContact OE2-NZ 3.17Å
114L96.8Very high95Very high65 Ų6537.3 Ų37.334%0.3420%0.2SC..Hα-helixtrans-61-48.3-178.2-63.6172000112.2L62 L66 C112 F118 L248L62-L114 HydrophobicContact CD1-CB 3.98Å; L66-L114 HydrophobicContact CD2-CB 4.14Å; L66-L114 HydrophobicContact CD2-CD1 3.82Å; C112-L114 PolarHBondContact O-N 2.83Å; L114-F118 WeakPolarHBondContact O-CB 3.13Å; L114-F118 PolarHBondContact O-N 2.83Å; L114-L248 HydrophobicContact CD1-CD1 4.38Å
115V97.8Very high94.6Very high1 Ų140.1 Ų40.11%0.00622%0.22CC..Hα-helixtrans-72.2-42.8179.7175.40000110.7L66 I103 L109 C112 K117 F118 L119L66-V115 HydrophobicContact CD1-CG2 4.09Å; L66-V115 HydrophobicContact CD2-CG2 4.35Å; I103-V115 HydrophobicContact CB-CG2 4.36Å; I103-V115 HydrophobicContact CD1-CG1 4.14Å; I103-V115 HydrophobicContact CD1-CG2 4.3Å; I103-V115 HydrophobicContact CG1-CG1 4.38Å; L109-V115 HydrophobicContact CB-CG2 4.46Å; L109-V115 WeakPolarHBondContact O-CB 3.23Å; L109-V115 VanDerWaalsContact O-CG2 3.29Å; L109-V115 WeakPolarHBondContact O-CG2 3.37Å; C112-V115 PolarHBondContact O-N 3.41Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 3.39Å; V115-F118 PolarHBondContact O-N 3.32Å; V115-L119 HydrophobicContact CG1-CD1 3.95Å; V115-L119 WeakPolarHBondContact O-CG 3.45Å; V115-L119 PolarHBondContact O-N 3.45Å
116K96.9Very high94.4Very high0 Ų036.2 Ų36.20%020%0.2CC..Hα-helixtrans-59.7-43.7176.9-71.7-59.7-163.4-170.40111.9D16 V18 L20 S110 C112 E113 L119 D120 Y124 I159D16-K116 WeakPolarHBondContact O-CE 3.2Å; D16-K116 PolarHBondContact O-NZ 3.46Å; V18-K116 PolarHBondContact O-NZ 3.2Å; L20-K116 HydrophobicContact CD1-CD 3.76Å; L20-K116 HydrophobicContact CG-CD 4.21Å; S110-K116 WeakPolarHBondContact O-CD 3.49Å; S110-K116 WeakPolarHBondContact O-CE 3.44Å; S110-K116 PolarHBondContact O-NZ 2.69Å; C112-K116 WeakPolarHBondContact O-CG 3.45Å; C112-K116 PolarHBondContact O-N 3.13Å; C112-K116 VanDerWaalsContact O-N 3.09Å; E113-K116 PolarHBondContact O-N 2.89Å; K116-L119 PolarHBondContact O-N 3.3Å; K116-D120 WeakPolarHBondContact O-CA 3.31Å; K116-D120 WeakPolarHBondContact O-CB 3.09Å; K116-D120 PolarHBondContact O-N 3.17Å; K116-Y124 HydrophobicContact CB-CD1 4.02Å; K116-Y124 HydrophobicContact CB-CD2 3.77Å; K116-Y124 HydrophobicContact CB-CE1 3.88Å; K116-Y124 HydrophobicContact CB-CE2 3.63Å; K116-Y124 HydrophobicContact CB-CG 3.98Å; K116-Y124 HydrophobicContact CD-CE2 4.27Å; K116-Y124 HydrophobicContact CG-CE1 4.25Å; K116-Y124 HydrophobicContact CG-CE2 4.24Å; K116-Y124 WeakPolarHBondContact O-CD2 3.44Å; K116-I159 HydrophobicContact CB-CD1 4.07Å; K116-I159 HydrophobicContact CG-CD1 3.71Å
117K96.5Very high94.1Very high98 Ų9837.3 Ų37.343%0.42621%0.206SC..Hα-helixtrans-67.3-36.4176.3-174.5172.4-174.5168.40113.1E113 V115 L119 P121 Y124E113-K117 WeakPolarHBondContact O-CB 3.42Å; E113-K117 PolarHBondContact O-N 2.93Å; V115-K117 VanDerWaalsContact C-N 3.34Å; V115-K117 PolarHBondContact O-N 3.39Å; K117-L119 VanDerWaalsContact C-N 3.33Å; K117-P121 WeakPolarHBondContact O-CA 3.28Å; K117-Y124 WeakPolarHBondContact CD-O 3.41Å
118F98.3Very high94Very high17 Ų1736 Ų368%0.07520%0.199CC..Hα-helixtrans-63.3-40.6175.1-177.9-95.2000112I52 R54 D58 F59 L62 L100 L114 V115I52-F118 VanDerWaalsContact CD1-O 3.31Å; I52-F118 WeakPolarHBondContact CD1-O 3.47Å; R54-F118 HydrophobicContact CB-CZ 4.1Å; R54-F118 HydrophobicContact CG-CE1 4.16Å; R54-F118 HydrophobicContact CG-CE2 3.97Å; R54-F118 HydrophobicContact CG-CZ 3.62Å; R54-F118 PolarHBondContact NE-O 2.94Å; R54-F118 PolarHBondContact NH2-O 2.86Å; D58-F118 HydrophobicContact CB-CE2 3.98Å; F59-F118 HydrophobicContact CD1-CE1 4.31Å; F59-F118 AromaticContact CD1-CZ 3.79Å; F59-F118 HydrophobicContact CD1-CZ 3.79Å; F59-F118 HydrophobicContact CD2-CZ 4.07Å; F59-F118 AromaticContact CE1-CE1 3.96Å; F59-F118 HydrophobicContact CE1-CE1 3.96Å; F59-F118 AromaticContact CE1-CZ 3.74Å; F59-F118 HydrophobicContact CE1-CZ 3.74Å; F59-F118 HydrophobicContact CE2-CZ 4.02Å; F59-F118 AromaticContact CG-CZ 3.97Å; F59-F118 HydrophobicContact CG-CZ 3.97Å; F59-F118 HydrophobicContact CZ-CE1 4.23Å; F59-F118 AromaticContact CZ-CZ 3.87Å; F59-F118 HydrophobicContact CZ-CZ 3.87Å; L62-F118 HydrophobicContact CB-CD2 4.13Å; L62-F118 HydrophobicContact CB-CE2 4.43Å; L62-F118 HydrophobicContact CD1-CB 4.3Å; L62-F118 HydrophobicContact CD2-CB 3.94Å; L62-F118 HydrophobicContact CD2-CD1 3.89Å; L62-F118 HydrophobicContact CD2-CD2 3.85Å; L62-F118 HydrophobicContact CD2-CE1 4.34Å; L62-F118 HydrophobicContact CD2-CE2 4.29Å; L62-F118 HydrophobicContact CD2-CG 3.62Å; L62-F118 HydrophobicContact CG-CD2 4.48Å; L100-F118 HydrophobicContact CD2-CE1 4.09Å; L114-F118 WeakPolarHBondContact O-CB 3.13Å; L114-F118 PolarHBondContact O-N 2.83Å; V115-F118 PolarHBondContact O-N 3.32Å
119L98.2Very high93.8Very high1 Ų136.7 Ų36.71%0.00521%0.205CC..Hα-helixtrans-89.1-27.1-176.4-64.6178000114.2L20 A22 V40 W50 I52 L100 T104 V115 K116 K117L20-L119 HydrophobicContact CB-CD1 4Å; L20-L119 HydrophobicContact CD1-CB 3.77Å; L20-L119 HydrophobicContact CD1-CD1 4.24Å; A22-L119 HydrophobicContact CB-CD2 3.81Å; V40-L119 HydrophobicContact CG1-CB 4.08Å; V40-L119 HydrophobicContact CG2-CB 4.31Å; V40-L119 HydrophobicContact CG2-CD2 4.07Å; W50-L119 PolarHBondContact NE1-O 3.38Å; I52-L119 HydrophobicContact CD1-CD2 4.29Å; L100-L119 HydrophobicContact CD2-CD2 4.12Å; T104-L119 HydrophobicContact CG2-CD1 3.73Å; V115-L119 HydrophobicContact CG1-CD1 3.95Å; V115-L119 WeakPolarHBondContact O-CG 3.45Å; V115-L119 PolarHBondContact O-N 3.45Å; K116-L119 PolarHBondContact O-N 3.3Å; K117-L119 VanDerWaalsContact C-N 3.33Å
120D96.8Very high93.6Very high3 Ų341.4 Ų41.42%0.01623%0.227CC..  trans-137.767.6-176-169.5-10.8000110.7L20 R42 W50 K116 N122 N123 Y124L20-D120 HydrophobicContact CD1-CB 4.28Å; R42-D120 IonicContact CZ-OD2 3.61Å; R42-D120 IonicContact NE-OD2 3.68Å; R42-D120 IonicContact NH2-OD2 2.83Å; R42-D120 PolarHBondContact NH2-OD2 2.83Å; W50-D120 HydrophobicContact CH2-CB 4.4Å; W50-D120 HydrophobicContact CZ2-CB 3.64Å; K116-D120 WeakPolarHBondContact O-CA 3.31Å; K116-D120 WeakPolarHBondContact O-CB 3.09Å; K116-D120 PolarHBondContact O-N 3.17Å; D120-N122 PolarHBondContact O-N 3.18Å; D120-N122 VanDerWaalsContact O-N 3.14Å; D120-N123 VanDerWaalsContact CG-ND2 3.31Å; D120-N123 PolarHBondContact O-N 3.03Å; D120-N123 WeakPolarHBondContact OD1-CB 3.28Å; D120-N123 PolarHBondContact OD1-N 3.39Å; D120-N123 PolarHBondContact OD1-ND2 3.21Å; D120-N123 WeakPolarHBondContact OD2-CB 3.47Å; D120-N123 PolarHBondContact OD2-ND2 3.38Å; D120-Y124 HydrophobicContact CB-CD2 3.83Å; D120-Y124 HydrophobicContact CB-CE2 3.93Å; D120-Y124 VanDerWaalsContact O-CD2 3.29Å; D120-Y124 WeakPolarHBondContact O-CD2 3.32Å; D120-Y124 PolarHBondContact O-N 2.89Å
121P94.1Very high93.4Very high41 Ų4143.7 Ų43.727%0.26624%0.238SC..THydrogen-bonded Turntrans-61-27.7-174.225.7-35.9000112.9K117 S125K117-P121 WeakPolarHBondContact O-CA 3.28Å; P121-S125 WeakPolarHBondContact O-CA 3.37Å; P121-S125 VanDerWaalsContact O-CB 3.26Å; P121-S125 WeakPolarHBondContact O-CB 3.32Å; P121-S125 PolarHBondContact O-N 3.22Å
122N91.6Very high93.3Very high130 Ų13042.8 Ų42.870%0.69523%0.233SC*.THydrogen-bonded Turntrans-68-49-177.3-67-18.2000111.2D120 S125D120-N122 PolarHBondContact O-N 3.18Å; D120-N122 VanDerWaalsContact O-N 3.14Å; N122-S125 PolarHBondContact O-OG 2.91Å; N122-S125 VanDerWaalsContact O-OG 3.05Å
123N90.9Very high93.1Very high75 Ų7543.9 Ų43.940%0.40124%0.238SC..THydrogen-bonded Turntrans-80.4-14.5-177.6-71.3-53.1000114.5L14 D120 Y128 R160L14-N123 HydrophobicContact CD2-CB 3.67Å; D120-N123 VanDerWaalsContact CG-ND2 3.31Å; D120-N123 PolarHBondContact O-N 3.03Å; D120-N123 WeakPolarHBondContact OD1-CB 3.28Å; D120-N123 PolarHBondContact OD1-N 3.39Å; D120-N123 PolarHBondContact OD1-ND2 3.21Å; D120-N123 WeakPolarHBondContact OD2-CB 3.47Å; D120-N123 PolarHBondContact OD2-ND2 3.38Å; N123-Y128 PolarHBondContact O-OH 2.84Å; N123-Y128 VanDerWaalsContact O-OH 3.11Å; N123-R160 PolarHBondContact O-NH2 3.27Å
124Y92.7Very high92.9Very high0 Ų047.4 Ų47.40%025%0.254CS..THydrogen-bonded Turntrans-122.228.8179.9-58.1-84.1000112.9L14 D16 R42 K116 K117 D120 I159L14-Y124 HydrophobicContact CD2-CE1 4.06Å; L14-Y124 HydrophobicContact CD2-CE2 3.9Å; L14-Y124 VanDerWaalsContact CD2-CZ 3.5Å; L14-Y124 VanDerWaalsContact CD2-OH 3.29Å; L14-Y124 WeakPolarHBondContact CD2-OH 3.03Å; D16-Y124 WeakPolarHBondContact OD1-CE1 3.14Å; D16-Y124 VanDerWaalsContact OD1-CZ 3.23Å; D16-Y124 PolarHBondContact OD1-OH 3.26Å; R42-Y124 PolarHBondContact NH2-OH 2.89Å; K116-Y124 HydrophobicContact CB-CD1 4.02Å; K116-Y124 HydrophobicContact CB-CD2 3.77Å; K116-Y124 HydrophobicContact CB-CE1 3.88Å; K116-Y124 HydrophobicContact CB-CE2 3.63Å; K116-Y124 HydrophobicContact CB-CG 3.98Å; K116-Y124 HydrophobicContact CD-CE2 4.27Å; K116-Y124 HydrophobicContact CG-CE1 4.25Å; K116-Y124 HydrophobicContact CG-CE2 4.24Å; K116-Y124 WeakPolarHBondContact O-CD2 3.44Å; K117-Y124 WeakPolarHBondContact CD-O 3.41Å; D120-Y124 HydrophobicContact CB-CD2 3.83Å; D120-Y124 HydrophobicContact CB-CE2 3.93Å; D120-Y124 VanDerWaalsContact O-CD2 3.29Å; D120-Y124 WeakPolarHBondContact O-CD2 3.32Å; D120-Y124 PolarHBondContact O-N 2.89Å; Y124-I159 HydrophobicContact CD1-CD1 4.12Å; Y124-I159 HydrophobicContact CD1-CG2 4.22Å; Y124-I159 HydrophobicContact CE1-CD1 3.61Å; Y124-I159 HydrophobicContact CE1-CG2 4.41Å
125S88.1Confident92.7Very high81 Ų8146.1 Ų46.157%0.56625%0.247SC*.  trans-75.6-32.8175.851.80000113P121 N122P121-S125 WeakPolarHBondContact O-CA 3.37Å; P121-S125 VanDerWaalsContact O-CB 3.26Å; P121-S125 WeakPolarHBondContact O-CB 3.32Å; P121-S125 PolarHBondContact O-N 3.22Å; N122-S125 PolarHBondContact O-OG 2.91Å; N122-S125 VanDerWaalsContact O-OG 3.05Å
126A88.4Confident92.3Very high35 Ų3546.1 Ų46.129%0.28925%0.246SC..SBendtrans-66.4142.7-173.400000113.4Y128 I131A126-Y128 HydrophobicContact CB-CE1 4Å; A126-Y128 HydrophobicContact CB-CE2 4.33Å; A126-Y128 WeakPolarHBondContact O-CD2 3.42Å; A126-Y128 PolarHBondContact O-N 3.13Å; A126-I131 HydrophobicContact CB-CD1 4.13Å
127N89.3Confident92Very high73 Ų7347.7 Ų47.739%0.3926%0.257SS..  trans-86.384.3171.9-174.1-4.6000110.4T129 E130 I131N127-T129 PolarHBondContact O-N 3.34Å; N127-T129 VanDerWaalsContact O-N 3.15Å; N127-T129 PolarHBondContact OD1-N 2.98Å; N127-E130 HydrophobicContact CB-CB 4.04Å; N127-E130 WeakPolarHBondContact ND2-CB 3.3Å; N127-E130 PolarHBondContact ND2-OE2 3.41Å; N127-E130 PolarHBondContact O-N 3.23Å; N127-E130 PolarHBondContact OD1-N 3.32Å; N127-I131 PolarHBondContact O-N 3.41Å; N127-I131 VanDerWaalsContact O-N 3.1Å
128Y88.3Confident91.6Very high11 Ų1147.4 Ų47.44%0.04326%0.259CS..Hα-helixtrans-59.2-28-177.6-61-70.9000113.6N123 A126 I131 A132 I159 R160N123-Y128 PolarHBondContact O-OH 2.84Å; N123-Y128 VanDerWaalsContact O-OH 3.11Å; A126-Y128 HydrophobicContact CB-CE1 4Å; A126-Y128 HydrophobicContact CB-CE2 4.33Å; A126-Y128 WeakPolarHBondContact O-CD2 3.42Å; A126-Y128 PolarHBondContact O-N 3.13Å; Y128-I131 HydrophobicContact CD1-CD1 4.48Å; Y128-A132 VanDerWaalsContact O-CB 3.23Å; Y128-A132 WeakPolarHBondContact O-CB 3.4Å; Y128-A132 PolarHBondContact O-N 2.83Å; Y128-I159 HydrophobicContact CD2-CG2 4.12Å; Y128-I159 HydrophobicContact CE2-CG2 4.13Å; Y128-R160 HydrophobicContact CD1-CG 4.32Å; Y128-R160 HydrophobicContact CE1-CG 4.16Å; Y128-R160 VanDerWaalsContact OH-CZ 3.25Å; Y128-R160 PolarHBondContact OH-NH1 2.83Å; Y128-R160 PolarHBondContact OH-NH2 2.85Å
129T89.8Confident91.1Very high47 Ų4748 Ų4829%0.28826%0.262SS..Hα-helixtrans-67.2-39.9176.1-59.60000111.6N127 L133N127-T129 PolarHBondContact O-N 3.34Å; N127-T129 VanDerWaalsContact O-N 3.15Å; N127-T129 PolarHBondContact OD1-N 2.98Å; T129-L133 WeakPolarHBondContact O-CB 3.28Å; T129-L133 PolarHBondContact O-N 2.88Å
130E90Very high90.6Very high99 Ų9949.3 Ų49.346%0.46327%0.267SS..Hα-helixtrans-72.5-42178.6-179.7161.6-151.700112N127 A132 L133 Q134N127-E130 HydrophobicContact CB-CB 4.04Å; N127-E130 WeakPolarHBondContact ND2-CB 3.3Å; N127-E130 PolarHBondContact ND2-OE2 3.41Å; N127-E130 PolarHBondContact O-N 3.23Å; N127-E130 PolarHBondContact OD1-N 3.32Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 2.95Å; E130-L133 PolarHBondContact O-N 3.22Å; E130-Q134 WeakPolarHBondContact O-CB 3.48Å; E130-Q134 PolarHBondContact O-N 2.97Å
131I91.6Very high90.1Very high60 Ų6057.9 Ų57.931%0.30830%0.299SS..Hα-helixtrans-56.7-50.1172.3-64.2169.3000110A126 N127 Y128 L133 Q134 Q135 W180A126-I131 HydrophobicContact CB-CD1 4.13Å; N127-I131 PolarHBondContact O-N 3.41Å; N127-I131 VanDerWaalsContact O-N 3.1Å; Y128-I131 HydrophobicContact CD1-CD1 4.48Å; I131-L133 PolarHBondContact O-N 3.17Å; I131-Q134 PolarHBondContact O-N 2.92Å; I131-Q135 WeakPolarHBondContact O-CG 3.45Å; I131-Q135 PolarHBondContact O-N 3.38Å; I131-Q135 VanDerWaalsContact O-N 3.09Å; I131-W180 HydrophobicContact CG2-CH2 3.88Å; I131-W180 HydrophobicContact CG2-CZ2 4.01Å
132A92.6Very high89.7Confident0 Ų059.9 Ų59.90%031%0.314CS..Hα-helixtrans-59.3-46.517800000111.6Y128 E130 Q134 Q135 V136 K162 F164 W180Y128-A132 VanDerWaalsContact O-CB 3.23Å; Y128-A132 WeakPolarHBondContact O-CB 3.4Å; Y128-A132 PolarHBondContact O-N 2.83Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 2.95Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 3.06Å; A132-Q135 PolarHBondContact O-N 3.06Å; A132-V136 WeakPolarHBondContact O-CB 3.18Å; A132-V136 WeakPolarHBondContact O-CG2 3.46Å; A132-V136 PolarHBondContact O-N 3.32Å; A132-K162 HydrophobicContact CB-CB 3.84Å; A132-K162 HydrophobicContact CB-CG 4.01Å; A132-F164 HydrophobicContact CB-CE2 3.93Å; A132-F164 HydrophobicContact CB-CZ 3.9Å; A132-W180 HydrophobicContact CB-CB 4.42Å; A132-W180 HydrophobicContact CB-CD2 3.63Å; A132-W180 HydrophobicContact CB-CE3 3.35Å; A132-W180 HydrophobicContact CB-CG 4.11Å; A132-W180 HydrophobicContact CB-CZ3 3.84Å
133L91.4Very high89.3Confident34 Ų3457.4 Ų57.418%0.17830%0.298CS..Hα-helixtrans-62.9-40.4-179.6-177.163.9000111.9T129 E130 I131 S137 F164T129-L133 WeakPolarHBondContact O-CB 3.28Å; T129-L133 PolarHBondContact O-N 2.88Å; E130-L133 PolarHBondContact O-N 3.22Å; I131-L133 PolarHBondContact O-N 3.17Å; L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 3.2Å; L133-S137 PolarHBondContact O-OG 2.83Å; L133-F164 HydrophobicContact CB-CE1 4.33Å; L133-F164 HydrophobicContact CB-CZ 4.3Å; L133-F164 HydrophobicContact CD1-CE1 3.95Å
134Q91.5Very high89Confident124 Ų12457.8 Ų57.858%0.57931%0.305SS*.Hα-helixtrans-61.4-48.8176.8-173.8-177.99.400110.8E130 I131 A132 S137 M138E130-Q134 WeakPolarHBondContact O-CB 3.48Å; E130-Q134 PolarHBondContact O-N 2.97Å; I131-Q134 PolarHBondContact O-N 2.92Å; A132-Q134 VanDerWaalsContact C-N 3.34Å; A132-Q134 PolarHBondContact O-N 3.06Å; Q134-S137 PolarHBondContact O-N 3Å; Q134-M138 HydrophobicContact CG-CE 4.33Å; Q134-M138 WeakPolarHBondContact O-CG 3.37Å; Q134-M138 PolarHBondContact O-N 3.12Å
135Q91Very high88.9Confident39 Ų3963.2 Ų63.218%0.18233%0.328CS..Hα-helixtrans-66-43.8-179.9-66.8-169.3800112.7I131 A132 S137 M138 F139 S221I131-Q135 WeakPolarHBondContact O-CG 3.45Å; I131-Q135 PolarHBondContact O-N 3.38Å; I131-Q135 VanDerWaalsContact O-N 3.09Å; A132-Q135 PolarHBondContact O-N 3.06Å; Q135-S137 VanDerWaalsContact C-N 3.3Å; Q135-S137 PolarHBondContact O-N 3.32Å; Q135-M138 HydrophobicContact CB-CE 4.38Å; Q135-M138 HydrophobicContact CG-CE 4.06Å; Q135-M138 PolarHBondContact O-N 3.12Å; Q135-F139 PolarHBondContact O-N 2.79Å; Q135-S221 PolarHBondContact OE1-OG 3.09Å
136V91Very high89Confident0 Ų060 Ų600%030%0.304CS..Hα-helixtrans-61-40.8174.8170.70000111A132 F139 F140 V148 F164 L178 W180 L223A132-V136 WeakPolarHBondContact O-CB 3.18Å; A132-V136 WeakPolarHBondContact O-CG2 3.46Å; A132-V136 PolarHBondContact O-N 3.32Å; V136-F139 WeakPolarHBondContact O-CB 3.35Å; V136-F139 PolarHBondContact O-N 2.8Å; V136-F140 HydrophobicContact CG1-CD2 3.89Å; V136-F140 HydrophobicContact CG1-CE2 3.32Å; V136-F140 HydrophobicContact CG1-CZ 3.78Å; V136-F140 PolarHBondContact O-N 3.01Å; V136-V148 HydrophobicContact CG1-CG2 4.23Å; V136-F164 HydrophobicContact CG2-CD2 4.31Å; V136-F164 HydrophobicContact CG2-CE2 4.06Å; V136-L178 HydrophobicContact CG1-CD1 3.84Å; V136-L178 HydrophobicContact CG2-CD1 4.11Å; V136-L178 HydrophobicContact CG2-CD2 3.61Å; V136-W180 HydrophobicContact CG2-CB 4.34Å; V136-L223 HydrophobicContact CG2-CD1 4.07Å
137S89.4Confident89.1Confident33 Ų3361.1 Ų61.123%0.23130%0.303CS..Hα-helixtrans-65.6-40.5177.3-610000112.1L133 Q134 Q135 F139 F140 R141L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 3.2Å; L133-S137 PolarHBondContact O-OG 2.83Å; Q134-S137 PolarHBondContact O-N 3Å; Q135-S137 VanDerWaalsContact C-N 3.3Å; Q135-S137 PolarHBondContact O-N 3.32Å; S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 3Å; S137-F140 PolarHBondContact O-N 3.28Å; S137-R141 WeakPolarHBondContact O-CG 3.33Å; S137-R141 PolarHBondContact O-N 2.78Å
138M89.4Confident89.3Confident93 Ų9359.4 Ų59.446%0.45830%0.295SS..Hα-helixtrans-61.3-42174.1-71.6-173.3-6500111.3Q134 Q135 R141Q134-M138 HydrophobicContact CG-CE 4.33Å; Q134-M138 WeakPolarHBondContact O-CG 3.37Å; Q134-M138 PolarHBondContact O-N 3.12Å; Q135-M138 HydrophobicContact CB-CE 4.38Å; Q135-M138 HydrophobicContact CG-CE 4.06Å; Q135-M138 PolarHBondContact O-N 3.12Å; M138-R141 WeakPolarHBondContact O-CB 3.21Å; M138-R141 PolarHBondContact O-N 2.93Å
139F87.8Confident89.5Confident30 Ų3062 Ų6213%0.13231%0.312CS..Hα-helixtrans-63.1-43.4176.9173.5-105.1000113.1Q135 V136 S137 R141 S142 E143 W146 F214 T216 L223Q135-F139 PolarHBondContact O-N 2.79Å; V136-F139 WeakPolarHBondContact O-CB 3.35Å; V136-F139 PolarHBondContact O-N 2.8Å; S137-F139 VanDerWaalsContact C-N 3.31Å; S137-F139 PolarHBondContact O-N 3Å; F139-R141 PolarHBondContact O-N 3.35Å; F139-S142 PolarHBondContact O-N 2.89Å; F139-S142 VanDerWaalsContact O-N 3.11Å; F139-S142 PolarHBondContact O-OG 3.05Å; F139-E143 HydrophobicContact CE1-CB 4.29Å; F139-E143 HydrophobicContact CE1-CG 4.44Å; F139-E143 HydrophobicContact CE2-CB 4.46Å; F139-E143 HydrophobicContact CE2-CG 3.84Å; F139-E143 HydrophobicContact CZ-CB 4.02Å; F139-E143 HydrophobicContact CZ-CG 3.7Å; F139-E143 PolarHBondContact O-N 3.22Å; F139-E143 VanDerWaalsContact O-N 3.15Å; F139-W146 HydrophobicContact CE1-CE3 4.18Å; F139-W146 AromaticContact CE1-CZ3 3.95Å; F139-W146 HydrophobicContact CE1-CZ3 3.95Å; F139-W146 AromaticContact CZ-CZ3 3.97Å; F139-W146 HydrophobicContact CZ-CZ3 3.97Å; F139-F214 AromaticContact CE1-CE1 3.97Å; F139-F214 HydrophobicContact CE1-CE1 3.97Å; F139-F214 AromaticContact CE2-CE1 3.71Å; F139-F214 HydrophobicContact CE2-CE1 3.71Å; F139-F214 AromaticContact CE2-CZ 3.72Å; F139-F214 HydrophobicContact CE2-CZ 3.72Å; F139-F214 HydrophobicContact CZ-CD1 4.02Å; F139-F214 AromaticContact CZ-CE1 3.15Å; F139-F214 HydrophobicContact CZ-CE1 3.15Å; F139-F214 HydrophobicContact CZ-CE2 4.41Å; F139-F214 AromaticContact CZ-CZ 3.4Å; F139-F214 HydrophobicContact CZ-CZ 3.4Å; F139-T216 HydrophobicContact CD2-CG2 4.04Å; F139-T216 HydrophobicContact CE2-CG2 3.86Å; F139-T216 HydrophobicContact CZ-CG2 4.45Å; F139-L223 HydrophobicContact CB-CD1 4.08Å; F139-L223 HydrophobicContact CD1-CD1 3.63Å; F139-L223 HydrophobicContact CD1-CD2 4.28Å; F139-L223 HydrophobicContact CE1-CD1 4.32Å; F139-L223 HydrophobicContact CE1-CD2 4.15Å; F139-L223 HydrophobicContact CG-CD1 3.88Å
140F86.7Confident89.7Confident27 Ų2763.5 Ų63.512%0.11832%0.316CS..Hα-helixtrans-71.7-13.9178.2-65.9-28.8000114.8V136 S137 S142 E143 W146 V148 M166 L178 I225V136-F140 HydrophobicContact CG1-CD2 3.89Å; V136-F140 HydrophobicContact CG1-CE2 3.32Å; V136-F140 HydrophobicContact CG1-CZ 3.78Å; V136-F140 PolarHBondContact O-N 3.01Å; S137-F140 PolarHBondContact O-N 3.28Å; F140-S142 VanDerWaalsContact C-N 3.31Å; F140-E143 CarbonylContact O-C 3.06Å; F140-E143 PolarHBondContact O-N 3.42Å; F140-W146 HydrophobicContact CD1-CB 4.38Å; F140-W146 HydrophobicContact CD1-CE3 4.3Å; F140-W146 HydrophobicContact CE1-CB 4.06Å; F140-W146 HydrophobicContact CE1-CE3 4.01Å; F140-W146 HydrophobicContact CZ-CB 4.44Å; F140-V148 HydrophobicContact CD2-CG2 3.91Å; F140-V148 HydrophobicContact CE2-CG2 3.44Å; F140-V148 VanDerWaalsContact CE2-CG2 3.44Å; F140-M166 HydrophobicContact CE1-CE 3.55Å; F140-M166 HydrophobicContact CE1-SD 4.49Å; F140-M166 HydrophobicContact CE2-CE 3.78Å; F140-M166 HydrophobicContact CE2-SD 4.1Å; F140-M166 HydrophobicContact CZ-CE 3.01Å; F140-M166 HydrophobicContact CZ-SD 3.52Å; F140-M166 VanDerWaalsContact CZ-SD 3.52Å; F140-L178 HydrophobicContact CE1-CD1 4.25Å; F140-L178 HydrophobicContact CE2-CD1 4.33Å; F140-L178 HydrophobicContact CZ-CD1 3.51Å; F140-I225 HydrophobicContact CE1-CD1 4.5Å
141R87Confident89.9Confident184 Ų18461.4 Ų61.469%0.69431%0.311SS*.Hα-helixtrans-66.7-35.6168-69.7175.5-169.9153.51.5111.6S137 M138 F139S137-R141 WeakPolarHBondContact O-CG 3.33Å; S137-R141 PolarHBondContact O-N 2.78Å; M138-R141 WeakPolarHBondContact O-CB 3.21Å; M138-R141 PolarHBondContact O-N 2.93Å; F139-R141 PolarHBondContact O-N 3.35Å
142S85.6Confident90Very high82 Ų8259 Ų5957%0.57330%0.298SS*.Hα-helixtrans-81.4-24.4174.646.40000113.6F139 F140F139-S142 PolarHBondContact O-N 2.89Å; F139-S142 VanDerWaalsContact O-N 3.11Å; F139-S142 PolarHBondContact O-OG 3.05Å; F140-S142 VanDerWaalsContact C-N 3.31Å
143E83.1Confident90Very high78 Ų7865.9 Ų65.936%0.36433%0.328SS..  trans-125.482.5-175-71.4-67.6168.500111.4F139 F140 K145 W146F139-E143 HydrophobicContact CE1-CB 4.29Å; F139-E143 HydrophobicContact CE1-CG 4.44Å; F139-E143 HydrophobicContact CE2-CB 4.46Å; F139-E143 HydrophobicContact CE2-CG 3.84Å; F139-E143 HydrophobicContact CZ-CB 4.02Å; F139-E143 HydrophobicContact CZ-CG 3.7Å; F139-E143 PolarHBondContact O-N 3.22Å; F139-E143 VanDerWaalsContact O-N 3.15Å; F140-E143 CarbonylContact O-C 3.06Å; F140-E143 PolarHBondContact O-N 3.42Å; E143-K145 PolarHBondContact O-N 3.21Å; E143-W146 HydrophobicContact CB-CE3 4.2Å; E143-W146 HydrophobicContact CB-CZ3 4.01Å; E143-W146 HydrophobicContact CG-CZ3 4.4Å
144P83.5Confident90Very high84 Ų8468.4 Ų68.455%0.54534%0.342SS..THydrogen-bonded Turntrans-73.62.9-170.430.4-36.3000114.2W146 K169P144-W146 VanDerWaalsContact C-N 3.32Å; P144-W146 PolarHBondContact O-N 2.97Å; P144-K169 WeakPolarHBondContact O-CD 3.28Å; P144-K169 WeakPolarHBondContact O-CE 3.11Å; P144-K169 PolarHBondContact O-NZ 3.37Å
145K90.6Very high90.2Very high113 Ų11363.8 Ų63.849%0.49132%0.321SS..THydrogen-bonded Turntrans-65.3-31.9-177.5180176.1178.2177.30113.4E143 I168 K169E143-K145 PolarHBondContact O-N 3.21Å; K145-I168 HydrophobicContact CG-CG2 4.32Å; K145-K169 PolarHBondContact O-N 3.18Å
146W91.8Very high90.4Very high14 Ų1463 Ų635%0.05332%0.323CS..EExtended strand (participates in β ladder)trans-114.1158.5-172.9-56.7-70.1000112.9F139 F140 E143 P144 M166 K167 F214 I225F139-W146 HydrophobicContact CE1-CE3 4.18Å; F139-W146 AromaticContact CE1-CZ3 3.95Å; F139-W146 HydrophobicContact CE1-CZ3 3.95Å; F139-W146 AromaticContact CZ-CZ3 3.97Å; F139-W146 HydrophobicContact CZ-CZ3 3.97Å; F140-W146 HydrophobicContact CD1-CB 4.38Å; F140-W146 HydrophobicContact CD1-CE3 4.3Å; F140-W146 HydrophobicContact CE1-CB 4.06Å; F140-W146 HydrophobicContact CE1-CE3 4.01Å; F140-W146 HydrophobicContact CZ-CB 4.44Å; E143-W146 HydrophobicContact CB-CE3 4.2Å; E143-W146 HydrophobicContact CB-CZ3 4.01Å; E143-W146 HydrophobicContact CG-CZ3 4.4Å; P144-W146 VanDerWaalsContact C-N 3.32Å; P144-W146 PolarHBondContact O-N 2.97Å; W146-M166 HydrophobicContact CB-CE 3.28Å; W146-M166 HydrophobicContact CD2-CE 4.38Å; W146-M166 HydrophobicContact CG-CE 3.7Å; W146-K167 WeakPolarHBondContact CA-O 3.31Å; W146-F214 HydrophobicContact CH2-CB 3.99Å; W146-F214 HydrophobicContact CH2-CD1 4.23Å; W146-F214 AromaticContact CH2-CD2 3.74Å; W146-F214 HydrophobicContact CH2-CD2 3.74Å; W146-F214 HydrophobicContact CH2-CE2 4.28Å; W146-F214 AromaticContact CH2-CG 3.71Å; W146-F214 HydrophobicContact CH2-CG 3.71Å; W146-F214 HydrophobicContact CZ2-CB 4.21Å; W146-F214 HydrophobicContact CZ2-CG 4.43Å; W146-F214 HydrophobicContact CZ3-CD2 4.49Å; W146-F214 HydrophobicContact CZ3-CG 4.4Å; W146-I225 HydrophobicContact CD2-CD1 3.86Å; W146-I225 HydrophobicContact CE3-CD1 3.86Å; W146-I225 HydrophobicContact CH2-CD1 4.03Å; W146-I225 HydrophobicContact CZ2-CD1 4.02Å; W146-I225 HydrophobicContact CZ3-CD1 3.95Å
147E90.6Very high90.6Very high59 Ų5964.4 Ų64.428%0.27633%0.328SS..EExtended strand (participates in β ladder)trans-136.8135.6176.7-170.5-171.4138.800109.7M166 K167 K169E147-M166 VanDerWaalsContact O-CA 3.25Å; E147-M166 WeakPolarHBondContact O-CA 3.18Å; E147-M166 WeakPolarHBondContact O-CB 3.46Å; E147-K167 HydrophobicContact CB-CG 4.18Å; E147-K167 VanDerWaalsContact CD-NZ 3.26Å; E147-K167 PolarHBondContact N-O 3.25Å; E147-K167 PolarHBondContact O-N 2.88Å; E147-K167 WeakPolarHBondContact OE1-CE 3.43Å; E147-K167 IonicContact OE1-NZ 2.75Å; E147-K167 PolarHBondContact OE1-NZ 3.14Å; E147-K167 WeakPolarHBondContact OE2-CE 3.34Å; E147-K167 IonicContact OE2-NZ 2.78Å; E147-K167 PolarHBondContact OE2-NZ 2.93Å; E147-K167 VanDerWaalsContact OE2-NZ 3.12Å; E147-K169 HydrophobicContact CB-CG 4.23Å
148V92Very high90.8Very high36 Ų3663.7 Ų63.722%0.21832%0.321CS..EExtended strand (participates in β ladder)trans-72.3128.2171.4-178.90000108.9V136 F140 F164V136-V148 HydrophobicContact CG1-CG2 4.23Å; F140-V148 HydrophobicContact CD2-CG2 3.91Å; F140-V148 HydrophobicContact CE2-CG2 3.44Å; F140-V148 VanDerWaalsContact CE2-CG2 3.44Å; V148-F164 HydrophobicContact CG1-CB 4.41Å; V148-F164 HydrophobicContact CG1-CD1 4.23Å
149V93.3Very high91.1Very high65 Ų6559.6 Ų59.639%0.39430%0.3SS..EExtended strand (participates in β ladder)trans-88.7-58.1171.6179.60000109.5L165 K167V149-L165 HydrophobicContact CB-CB 4.42Å; V149-L165 HydrophobicContact CB-CD2 4.33Å; V149-L165 HydrophobicContact CB-CG 4.32Å; V149-L165 HydrophobicContact CG1-CD2 4.19Å; V149-L165 PolarHBondContact N-O 3.04Å; V149-K167 HydrophobicContact CG2-CB 4.11Å; V149-K167 HydrophobicContact CG2-CD 4.05Å; V149-K167 HydrophobicContact CG2-CG 3.92Å
150E93.1Very high91.3Very high79 Ų7959.9 Ų59.937%0.36930%0.301SS..EExtended strand (participates in β ladder)trans-156.5149.6-177.559.2-178.7170.300111.4L165 K244E150-L165 HydrophobicContact CG-CB 3.79Å; E150-L165 HydrophobicContact CG-CD2 3.95Å; E150-L165 PolarHBondContact N-O 3.14Å; E150-L165 PolarHBondContact O-N 3.09Å; E150-L165 WeakPolarHBondContact OE1-CD2 3.21Å; E150-K244 IonicContact OE1-NZ 3.01Å; E150-K244 PolarHBondContact OE1-NZ 3.36Å
151P94.5Very high91.7Very high55 Ų5558.9 Ų58.936%0.35730%0.296SS..EExtended strand (participates in β ladder)trans-67129.6164.6-16.530.7000110.9K153 F164P151-K153 HydrophobicContact CB-CG 4.4Å; P151-K153 PolarHBondContact O-N 2.83Å; P151-F164 HydrophobicContact CB-CD1 4.04Å; P151-F164 HydrophobicContact CB-CE1 4.05Å; P151-F164 HydrophobicContact CG-CD1 4.24Å; P151-F164 HydrophobicContact CG-CE1 4.19Å
152L95.1Very high92.2Very high10 Ų1050.8 Ų50.85%0.05227%0.266CS..EExtended strand (participates in β ladder)trans-88.185.8172.2-65.7173.2000108.6D154 I155 Y163 L165 V177 K244L152-D154 PolarHBondContact O-N 3.45Å; L152-I155 HydrophobicContact CB-CD1 3.91Å; L152-I155 HydrophobicContact CB-CG1 4.22Å; L152-I155 HydrophobicContact CB-CG2 4.01Å; L152-I155 HydrophobicContact CD1-CD1 4.03Å; L152-Y163 PolarHBondContact N-O 2.79Å; L152-L165 HydrophobicContact CD1-CB 4.11Å; L152-L165 HydrophobicContact CD2-CB 4.07Å; L152-L165 HydrophobicContact CG-CB 3.99Å; L152-V177 HydrophobicContact CD1-CG1 4.32Å; L152-V177 HydrophobicContact CD1-CG2 4.08Å; L152-K244 HydrophobicContact CD2-CD 4.22Å; L152-K244 HydrophobicContact CD2-CG 4.13Å
153K91.7Very high92.7Very high145 Ų14548.7 Ų48.763%0.6325%0.246SC*.THydrogen-bonded Turntrans-67.6124.5-171.7-64-177.4-177.7177.90111.6P151 I155P151-K153 HydrophobicContact CB-CG 4.4Å; P151-K153 PolarHBondContact O-N 2.83Å; K153-I155 PolarHBondContact O-N 2.84Å
154D92Very high93.4Very high86 Ų8645 Ų4546%0.4623%0.229SC..THydrogen-bonded Turntrans53.730.1168.2-49.4-40.3000114.9L152 G156 P246 F247L152-D154 PolarHBondContact O-N 3.45Å; D154-G156 PolarHBondContact O-N 3.06Å; D154-P246 HydrophobicContact CB-CB 4.48Å; D154-P246 CarbonylContact O-C 3.42Å; D154-P246 WeakPolarHBondContact O-CA 3.42Å; D154-F247 VanDerWaalsContact O-CB 3.31Å; D154-F247 WeakPolarHBondContact O-CB 3.46Å; D154-F247 PolarHBondContact O-N 2.89Å
155I95.5Very high94Very high28 Ų2841.1 Ų41.114%0.14420%0.203CC..  trans-71.1-17.3179.263.8162.1000113.4L152 K153 Y163 K244 K250L152-I155 HydrophobicContact CB-CD1 3.91Å; L152-I155 HydrophobicContact CB-CG1 4.22Å; L152-I155 HydrophobicContact CB-CG2 4.01Å; L152-I155 HydrophobicContact CD1-CD1 4.03Å; K153-I155 PolarHBondContact O-N 2.84Å; I155-Y163 HydrophobicContact CD1-CD1 4.23Å; I155-Y163 HydrophobicContact CD1-CD2 4.13Å; I155-Y163 HydrophobicContact CD1-CG 3.83Å; I155-Y163 HydrophobicContact CG1-CD2 3.7Å; I155-Y163 HydrophobicContact CG1-CE2 4.28Å; I155-Y163 HydrophobicContact CG1-CG 3.92Å; I155-K244 WeakPolarHBondContact CG2-O 3.37Å; I155-K250 PolarHBondContact O-NZ 3.2Å
156G94.9Very high94.2Very high21 Ų2135.7 Ų35.722%0.21618%0.18CC..SBendtrans-119.4168.3177.900000112.2D154D154-G156 PolarHBondContact O-N 3.06Å
157W95Very high94.2Very high30 Ų3037.4 Ų37.411%0.11419%0.187CC..SBendtrans-86.3-20-174.667.9-94.4000114.5T17 I159 F247 H290 F316T17-W157 HydrophobicContact CG2-CH2 3.93Å; T17-W157 HydrophobicContact CG2-CZ3 3.84Å; W157-I159 PolarHBondContact O-N 3.07Å; W157-F247 HydrophobicContact CB-CD1 4.06Å; W157-F247 HydrophobicContact CB-CD2 4.02Å; W157-F247 HydrophobicContact CB-CE1 3.78Å; W157-F247 HydrophobicContact CB-CE2 3.73Å; W157-F247 HydrophobicContact CB-CG 4.19Å; W157-F247 HydrophobicContact CB-CZ 3.62Å; W157-F247 HydrophobicContact CG-CE2 4.4Å; W157-F247 HydrophobicContact CG-CZ 4.4Å; W157-H290 AromaticContact NE1-CE1 3.66Å; W157-H290 AromaticContact NE1-NE2 3.54Å; W157-F316 AromaticContact CD1-CD2 3.94Å; W157-F316 AromaticContact CD2-CD2 3.82Å; W157-F316 HydrophobicContact CD2-CD2 3.82Å; W157-F316 AromaticContact CE2-CD2 3.63Å; W157-F316 HydrophobicContact CE3-CD2 4.39Å; W157-F316 HydrophobicContact CG-CD2 4.03Å; W157-F316 HydrophobicContact CG-CE2 4.38Å; W157-F316 HydrophobicContact CH2-CB 4.35Å; W157-F316 VanDerWaalsContact CZ2-CA 3.49Å; W157-F316 HydrophobicContact CZ2-CB 3.65Å; W157-F316 HydrophobicContact CZ2-CD2 4.08Å; W157-F316 HydrophobicContact CZ2-CG 4.38Å; W157-F316 AromaticContact NE1-CD2 3.7Å
158R94.6Very high94.3Very high19 Ų1935.4 Ų35.47%0.07218%0.178CC..  trans-80122.7-175.9-69.6-171.7-179.291.5-6.4110.8R160 K161 H288 D305 N308 P314R158-R160 VanDerWaalsContact C-N 3.32Å; R158-R160 PolarHBondContact O-N 3.28Å; R158-K161 HydrophobicContact CB-CB 3.85Å; R158-K161 PolarHBondContact O-N 3.47Å; R158-H288 PolarHBondContact NH2-ND1 3.17Å; R158-D305 IonicContact NH1-OD2 3.63Å; R158-N308 PolarHBondContact NH1-ND2 3.32Å; R158-N308 PolarHBondContact NH2-ND2 2.76Å; R158-P314 PolarHBondContact NE-O 3.44Å; R158-P314 PolarHBondContact NH2-O 2.73Å
159I93.9Very high94.2Very high6 Ų638.6 Ų38.63%0.03119%0.189CC..THydrogen-bonded Turntrans-57.5-45.3-178.6-62172.8000111.3D16 E113 K116 Y124 Y128 W157 K162D16-I159 HydrophobicContact CB-CD1 4.41Å; E113-I159 HydrophobicContact CB-CD1 4.42Å; E113-I159 HydrophobicContact CB-CG1 4.08Å; E113-I159 HydrophobicContact CB-CG2 4.08Å; E113-I159 HydrophobicContact CG-CG2 3.85Å; K116-I159 HydrophobicContact CB-CD1 4.07Å; K116-I159 HydrophobicContact CG-CD1 3.71Å; Y124-I159 HydrophobicContact CD1-CD1 4.12Å; Y124-I159 HydrophobicContact CD1-CG2 4.22Å; Y124-I159 HydrophobicContact CE1-CD1 3.61Å; Y124-I159 HydrophobicContact CE1-CG2 4.41Å; Y128-I159 HydrophobicContact CD2-CG2 4.12Å; Y128-I159 HydrophobicContact CE2-CG2 4.13Å; W157-I159 PolarHBondContact O-N 3.07Å; I159-K162 VanDerWaalsContact O-CE 3.22Å; I159-K162 WeakPolarHBondContact O-CE 3.08Å; I159-K162 PolarHBondContact O-NZ 2.84Å
160R92.9Very high94Very high37 Ų3742.8 Ų42.814%0.1421%0.209CC..THydrogen-bonded Turntrans-92.711-173.6-57.8172.8-166.6-83.7-13.6114.4L14 D16 N123 Y128 R158 A181 D182L14-R160 VanDerWaalsContact CD2-NH2 3.35Å; D16-R160 IonicContact OD1-NE 3.86Å; D16-R160 IonicContact OD1-NH2 3.25Å; D16-R160 IonicContact OD2-NE 2.88Å; D16-R160 PolarHBondContact OD2-NE 3.09Å; D16-R160 VanDerWaalsContact OD2-NE 3.12Å; N123-R160 PolarHBondContact O-NH2 3.27Å; Y128-R160 HydrophobicContact CD1-CG 4.32Å; Y128-R160 HydrophobicContact CE1-CG 4.16Å; Y128-R160 VanDerWaalsContact OH-CZ 3.25Å; Y128-R160 PolarHBondContact OH-NH1 2.83Å; Y128-R160 PolarHBondContact OH-NH2 2.85Å; R158-R160 VanDerWaalsContact C-N 3.32Å; R158-R160 PolarHBondContact O-N 3.28Å; R160-A181 WeakPolarHBondContact O-CA 3.49Å; R160-D182 HydrophobicContact CB-CB 4.28Å; R160-D182 PolarHBondContact O-N 2.92Å
161K95.6Very high93.9Very high6 Ų643.5 Ų43.53%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-113.3117.6173.7-170.1164.4-175.4175.60109.1R158 Y163 W180 A181 D305 E307 N308 L313R158-K161 HydrophobicContact CB-CB 3.85Å; R158-K161 PolarHBondContact O-N 3.47Å; K161-Y163 HydrophobicContact CB-CE2 4.5Å; K161-Y163 WeakPolarHBondContact CD-OH 3.4Å; K161-Y163 HydrophobicContact CG-CE1 4.45Å; K161-Y163 HydrophobicContact CG-CE2 4.03Å; K161-W180 CarbonylContact C-O 3.59Å; K161-W180 VanDerWaalsContact CA-O 3.32Å; K161-W180 WeakPolarHBondContact CA-O 3.38Å; K161-A181 HydrophobicContact CB-CB 4.28Å; K161-A181 HydrophobicContact CD-CB 4.39Å; K161-A181 HydrophobicContact CG-CB 4.07Å; K161-D305 IonicContact NZ-OD1 3.07Å; K161-D305 PolarHBondContact NZ-OD1 3.44Å; K161-D305 VanDerWaalsContact NZ-OD1 3.09Å; K161-D305 IonicContact NZ-OD2 3.12Å; K161-D305 PolarHBondContact NZ-OD2 2.84Å; K161-E307 IonicContact NZ-OE1 2.83Å; K161-E307 PolarHBondContact NZ-OE1 3.4Å; K161-N308 PolarHBondContact NZ-OD1 2.95Å; K161-L313 HydrophobicContact CD-CD1 4.45Å
162K96.4Very high93.4Very high14 Ų1444.5 Ų44.56%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-115149.8-176.4-58.2-54.5-172.8-165.30110.5E113 A132 I159 F164 S179 W180E113-K162 IonicContact OE2-NZ 3.47Å; E113-K162 PolarHBondContact OE2-NZ 3.16Å; E113-K162 VanDerWaalsContact OE2-NZ 3.17Å; A132-K162 HydrophobicContact CB-CB 3.84Å; A132-K162 HydrophobicContact CB-CG 4.01Å; I159-K162 VanDerWaalsContact O-CE 3.22Å; I159-K162 WeakPolarHBondContact O-CE 3.08Å; I159-K162 PolarHBondContact O-NZ 2.84Å; K162-F164 HydrophobicContact CB-CE2 4.22Å; K162-S179 WeakPolarHBondContact O-CA 3.5Å; K162-W180 HydrophobicContact CB-CE3 4.34Å; K162-W180 HydrophobicContact CG-CE3 4.35Å; K162-W180 PolarHBondContact N-O 3.14Å; K162-W180 PolarHBondContact O-N 2.88Å
163Y97.3Very high93.1Very high37 Ų3753.6 Ų53.615%0.14526%0.259CS..EExtended strand (participates in β ladder)trans-127.2142.8-172.2-59.4-92.3000110.9L152 I155 K161 V177 L178L152-Y163 PolarHBondContact N-O 2.79Å; I155-Y163 HydrophobicContact CD1-CD1 4.23Å; I155-Y163 HydrophobicContact CD1-CD2 4.13Å; I155-Y163 HydrophobicContact CD1-CG 3.83Å; I155-Y163 HydrophobicContact CG1-CD2 3.7Å; I155-Y163 HydrophobicContact CG1-CE2 4.28Å; I155-Y163 HydrophobicContact CG1-CG 3.92Å; K161-Y163 HydrophobicContact CB-CE2 4.5Å; K161-Y163 WeakPolarHBondContact CD-OH 3.4Å; K161-Y163 HydrophobicContact CG-CE1 4.45Å; K161-Y163 HydrophobicContact CG-CE2 4.03Å; Y163-V177 HydrophobicContact CD1-CG1 4.06Å; Y163-L178 CarbonylContact C-O 3.52Å; Y163-L178 VanDerWaalsContact CA-O 3.25Å; Y163-L178 WeakPolarHBondContact CA-O 3.45Å
164F96.5Very high93.1Very high1 Ų150.3 Ų50.30%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-134.1130.9178.8-59.1-92.6000109.4A132 L133 V136 V148 P151 K162 V177 L178A132-F164 HydrophobicContact CB-CE2 3.93Å; A132-F164 HydrophobicContact CB-CZ 3.9Å; L133-F164 HydrophobicContact CB-CE1 4.33Å; L133-F164 HydrophobicContact CB-CZ 4.3Å; L133-F164 HydrophobicContact CD1-CE1 3.95Å; V136-F164 HydrophobicContact CG2-CD2 4.31Å; V136-F164 HydrophobicContact CG2-CE2 4.06Å; V148-F164 HydrophobicContact CG1-CB 4.41Å; V148-F164 HydrophobicContact CG1-CD1 4.23Å; P151-F164 HydrophobicContact CB-CD1 4.04Å; P151-F164 HydrophobicContact CB-CE1 4.05Å; P151-F164 HydrophobicContact CG-CD1 4.24Å; P151-F164 HydrophobicContact CG-CE1 4.19Å; K162-F164 HydrophobicContact CB-CE2 4.22Å; F164-V177 WeakPolarHBondContact O-CA 3.39Å; F164-L178 HydrophobicContact CB-CB 4.49Å; F164-L178 HydrophobicContact CD2-CD2 3.66Å; F164-L178 HydrophobicContact CE2-CD2 4.35Å; F164-L178 PolarHBondContact N-O 2.69Å; F164-L178 PolarHBondContact O-N 3.29Å
165L96Very high93.2Very high2 Ų250.5 Ų50.51%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-77.7136.6168.5-172.270.1000108.4V149 E150 L152 R175 F228 K244V149-L165 HydrophobicContact CB-CB 4.42Å; V149-L165 HydrophobicContact CB-CD2 4.33Å; V149-L165 HydrophobicContact CB-CG 4.32Å; V149-L165 HydrophobicContact CG1-CD2 4.19Å; V149-L165 PolarHBondContact N-O 3.04Å; E150-L165 HydrophobicContact CG-CB 3.79Å; E150-L165 HydrophobicContact CG-CD2 3.95Å; E150-L165 PolarHBondContact N-O 3.14Å; E150-L165 PolarHBondContact O-N 3.09Å; E150-L165 WeakPolarHBondContact OE1-CD2 3.21Å; L152-L165 HydrophobicContact CD1-CB 4.11Å; L152-L165 HydrophobicContact CD2-CB 4.07Å; L152-L165 HydrophobicContact CG-CB 3.99Å; L165-R175 HydrophobicContact CD1-CB 4.26Å; L165-F228 HydrophobicContact CD1-CB 4.29Å; L165-F228 HydrophobicContact CD1-CD1 4.21Å; L165-F228 HydrophobicContact CD1-CD2 4.22Å; L165-F228 HydrophobicContact CD1-CG 3.97Å; L165-K244 VanDerWaalsContact CD2-NZ 3.34Å
166M94.8Very high93.2Very high0 Ų049.2 Ų49.20%023%0.233CC..EExtended strand (participates in β ladder)trans-137.2166-175.1-67.6171.855.800111.6F140 W146 E147 R175 L176 L178 I225F140-M166 HydrophobicContact CE1-CE 3.55Å; F140-M166 HydrophobicContact CE1-SD 4.49Å; F140-M166 HydrophobicContact CE2-CE 3.78Å; F140-M166 HydrophobicContact CE2-SD 4.1Å; F140-M166 HydrophobicContact CZ-CE 3.01Å; F140-M166 HydrophobicContact CZ-SD 3.52Å; F140-M166 VanDerWaalsContact CZ-SD 3.52Å; W146-M166 HydrophobicContact CB-CE 3.28Å; W146-M166 HydrophobicContact CD2-CE 4.38Å; W146-M166 HydrophobicContact CG-CE 3.7Å; E147-M166 VanDerWaalsContact O-CA 3.25Å; E147-M166 WeakPolarHBondContact O-CA 3.18Å; E147-M166 WeakPolarHBondContact O-CB 3.46Å; M166-R175 WeakPolarHBondContact O-CA 3.36Å; M166-L176 HydrophobicContact CB-CB 4.1Å; M166-L176 PolarHBondContact N-O 2.88Å; M166-L176 PolarHBondContact O-N 3.48Å; M166-L178 HydrophobicContact CE-CD1 4.41Å; M166-L178 HydrophobicContact CG-CB 4.4Å; M166-L178 HydrophobicContact SD-CB 3.19Å; M166-L178 WeakPolarHBondContact SD-CB 3.2Å; M166-L178 HydrophobicContact SD-CD1 3.57Å; M166-L178 VanDerWaalsContact SD-CD1 3.57Å; M166-L178 HydrophobicContact SD-CG 4.06Å; M166-I225 HydrophobicContact CE-CD1 4.03Å
167K93.6Very high93.4Very high50 Ų5049.4 Ų49.422%0.21723%0.23CC..EExtended strand (participates in β ladder)trans-134.4158.417065.3-175.8177.1-177.80110W146 E147 V149W146-K167 WeakPolarHBondContact CA-O 3.31Å; E147-K167 HydrophobicContact CB-CG 4.18Å; E147-K167 VanDerWaalsContact CD-NZ 3.26Å; E147-K167 PolarHBondContact N-O 3.25Å; E147-K167 PolarHBondContact O-N 2.88Å; E147-K167 WeakPolarHBondContact OE1-CE 3.43Å; E147-K167 IonicContact OE1-NZ 2.75Å; E147-K167 PolarHBondContact OE1-NZ 3.14Å; E147-K167 WeakPolarHBondContact OE2-CE 3.34Å; E147-K167 IonicContact OE2-NZ 2.78Å; E147-K167 PolarHBondContact OE2-NZ 2.93Å; E147-K167 VanDerWaalsContact OE2-NZ 3.12Å; V149-K167 HydrophobicContact CG2-CB 4.11Å; V149-K167 HydrophobicContact CG2-CD 4.05Å; V149-K167 HydrophobicContact CG2-CG 3.92Å
168I92.3Very high93.5Very high17 Ų1748 Ų489%0.08723%0.225CC..EExtended strand (participates in β ladder)trans-85.1129.9167.9-58.4170.1000106.7K145 N170 Q171 L176K145-I168 HydrophobicContact CG-CG2 4.32Å; I168-N170 PolarHBondContact O-N 3.08Å; I168-Q171 HydrophobicContact CB-CB 4.06Å; I168-Q171 HydrophobicContact CG2-CB 4.21Å; I168-Q171 CarbonylContact O-C 3.5Å; I168-Q171 PolarHBondContact O-N 3.05Å; I168-L176 HydrophobicContact CD1-CD1 4.2Å; I168-L176 HydrophobicContact CG1-CD1 3.68Å; I168-L176 HydrophobicContact CG1-CG 4.46Å
169K88.9Confident93.6Very high103 Ų10347.3 Ų47.345%0.44822%0.223SC..THydrogen-bonded Turntrans-56.3-40.3-175.6-71.3-172-175.2163.20112.6P144 K145 E147P144-K169 WeakPolarHBondContact O-CD 3.28Å; P144-K169 WeakPolarHBondContact O-CE 3.11Å; P144-K169 PolarHBondContact O-NZ 3.37Å; K145-K169 PolarHBondContact O-N 3.18Å; E147-K169 HydrophobicContact CB-CG 4.23Å
170N89.6Confident93.8Very high152 Ų15247.2 Ų47.281%0.81322%0.222SC*.THydrogen-bonded Turntrans-86.2-7.5-179.3-60.9-3000113.5I168I168-N170 PolarHBondContact O-N 3.08Å
171Q90.6Very high93.9Very high94 Ų9445.6 Ų45.644%0.43922%0.217SC..EExtended strand (participates in β ladder)trans-136.268.4179.1-68.5171-21.700109.4I168 K173 E174I168-Q171 HydrophobicContact CB-CB 4.06Å; I168-Q171 HydrophobicContact CG2-CB 4.21Å; I168-Q171 CarbonylContact O-C 3.5Å; I168-Q171 PolarHBondContact O-N 3.05Å; Q171-K173 PolarHBondContact O-N 2.64Å; Q171-E174 HydrophobicContact CB-CG 4.43Å; Q171-E174 PolarHBondContact O-N 3.17Å
172P84.6Confident93.8Very high77 Ų7747.2 Ų47.250%0.523%0.226SC..EExtended strand (participates in β ladder)trans-70-6.9-169.829.3-37.2000113.9R175P172-R175 PolarHBondContact O-NH1 2.91Å
173K88.9Confident93.7Very high201 Ų20147.5 Ų47.587%0.87423%0.228SC*.EExtended strand (participates in β ladder)trans-81-28172.3-67-175.2179.3-179.80112.1Q171Q171-K173 PolarHBondContact O-N 2.64Å
174E90.4Very high93.6Very high76 Ų7645.9 Ų45.936%0.35522%0.223SC..EExtended strand (participates in β ladder)trans-77.3128.6178.2-67.5-170.6-163.800110.4Q171 M227Q171-E174 HydrophobicContact CB-CG 4.43Å; Q171-E174 PolarHBondContact O-N 3.17Å; E174-M227 HydrophobicContact CB-CE 4.4Å
175R94.8Very high93.5Very high89 Ų8946.9 Ų46.934%0.33623%0.229SC..EExtended strand (participates in β ladder)trans-106.2134.5177.4-67.1-72179-99-4.7109L165 M166 P172 F228L165-R175 HydrophobicContact CD1-CB 4.26Å; M166-R175 WeakPolarHBondContact O-CA 3.36Å; P172-R175 PolarHBondContact O-NH1 2.91Å; R175-F228 HydrophobicContact CB-CB 3.74Å; R175-F228 HydrophobicContact CB-CD1 3.98Å; R175-F228 HydrophobicContact CB-CG 4.27Å; R175-F228 WeakPolarHBondContact O-CB 3.45Å; R175-F228 PolarHBondContact O-N 3.1Å
176L96.5Very high93.5Very high1 Ų147.2 Ų47.21%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-120.6155.3178.3-58.4175.2000109.3M166 I168 I225 R226 M227M166-L176 HydrophobicContact CB-CB 4.1Å; M166-L176 PolarHBondContact N-O 2.88Å; M166-L176 PolarHBondContact O-N 3.48Å; I168-L176 HydrophobicContact CD1-CD1 4.2Å; I168-L176 HydrophobicContact CG1-CD1 3.68Å; I168-L176 HydrophobicContact CG1-CG 4.46Å; L176-I225 HydrophobicContact CB-CG2 3.98Å; L176-I225 HydrophobicContact CD1-CG2 3.88Å; L176-I225 HydrophobicContact CG-CG2 4.37Å; L176-R226 CarbonylContact C-O 3.52Å; L176-R226 VanDerWaalsContact CA-O 3.23Å; L176-R226 WeakPolarHBondContact CA-O 2.91Å; L176-R226 WeakPolarHBondContact CB-O 3.49Å; L176-M227 HydrophobicContact CD2-CE 4.07Å; L176-M227 HydrophobicContact CD2-SD 3.28Å; L176-M227 WeakPolarHBondContact CD2-SD 3.36Å
177V97.2Very high93.5Very high26 Ų2648.7 Ų48.716%0.15824%0.237CC..EExtended strand (participates in β ladder)trans-114.5127.7166.3177.30000108.6L152 Y163 F164 I225 R226 F228L152-V177 HydrophobicContact CD1-CG1 4.32Å; L152-V177 HydrophobicContact CD1-CG2 4.08Å; Y163-V177 HydrophobicContact CD1-CG1 4.06Å; F164-V177 WeakPolarHBondContact O-CA 3.39Å; V177-I225 WeakPolarHBondContact O-CA 3.25Å; V177-R226 PolarHBondContact N-O 3.33Å; V177-R226 PolarHBondContact O-N 3.23Å; V177-F228 HydrophobicContact CG2-CB 3.9Å; V177-F228 HydrophobicContact CG2-CD2 3.37Å; V177-F228 HydrophobicContact CG2-CE2 4.31Å; V177-F228 HydrophobicContact CG2-CG 4.05Å
178L97.4Very high93.6Very high0 Ų050.8 Ų50.80%024%0.244CC..EExtended strand (participates in β ladder)trans-96.4132.6162.9176.2161.6000109.9V136 F140 Y163 F164 M166 W180 L223 L224 I225V136-L178 HydrophobicContact CG1-CD1 3.84Å; V136-L178 HydrophobicContact CG2-CD1 4.11Å; V136-L178 HydrophobicContact CG2-CD2 3.61Å; F140-L178 HydrophobicContact CE1-CD1 4.25Å; F140-L178 HydrophobicContact CE2-CD1 4.33Å; F140-L178 HydrophobicContact CZ-CD1 3.51Å; Y163-L178 CarbonylContact C-O 3.52Å; Y163-L178 VanDerWaalsContact CA-O 3.25Å; Y163-L178 WeakPolarHBondContact CA-O 3.45Å; F164-L178 HydrophobicContact CB-CB 4.49Å; F164-L178 HydrophobicContact CD2-CD2 3.66Å; F164-L178 HydrophobicContact CE2-CD2 4.35Å; F164-L178 PolarHBondContact N-O 2.69Å; F164-L178 PolarHBondContact O-N 3.29Å; M166-L178 HydrophobicContact CE-CD1 4.41Å; M166-L178 HydrophobicContact CG-CB 4.4Å; M166-L178 HydrophobicContact SD-CB 3.19Å; M166-L178 WeakPolarHBondContact SD-CB 3.2Å; M166-L178 HydrophobicContact SD-CD1 3.57Å; M166-L178 VanDerWaalsContact SD-CD1 3.57Å; M166-L178 HydrophobicContact SD-CG 4.06Å; L178-W180 HydrophobicContact CD2-CB 4.05Å; L178-L223 HydrophobicContact CD1-CD1 3.7Å; L178-L223 HydrophobicContact CD1-CD2 3.62Å; L178-L223 HydrophobicContact CD1-CG 3.61Å; L178-L223 HydrophobicContact CD2-CG 4.09Å; L178-L223 HydrophobicContact CG-CD1 4.38Å; L178-L223 HydrophobicContact CG-CD2 3.92Å; L178-L223 HydrophobicContact CG-CG 3.8Å; L178-L224 CarbonylContact C-O 3.6Å; L178-L224 WeakPolarHBondContact CA-O 3.42Å; L178-I225 HydrophobicContact CB-CG1 4.29Å; L178-I225 HydrophobicContact CD1-CG1 4.32Å; L178-I225 HydrophobicContact CG-CG1 4.38Å
179S97.4Very high93.8Very high5 Ų550.6 Ų50.64%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-110.9127.716757.90000109.5K162 L223 L224K162-S179 WeakPolarHBondContact O-CA 3.5Å; S179-L223 WeakPolarHBondContact O-CA 3.32Å; S179-L224 PolarHBondContact N-O 3.33Å; S179-L224 PolarHBondContact O-N 3.46Å
180W97.4Very high94.2Very high3 Ų348.3 Ų48.31%0.01124%0.241CC..EExtended strand (participates in β ladder)trans-113.3138.9171.417588.7000109.2I131 A132 V136 K161 K162 L178 D182 S221 A222I131-W180 HydrophobicContact CG2-CH2 3.88Å; I131-W180 HydrophobicContact CG2-CZ2 4.01Å; A132-W180 HydrophobicContact CB-CB 4.42Å; A132-W180 HydrophobicContact CB-CD2 3.63Å; A132-W180 HydrophobicContact CB-CE3 3.35Å; A132-W180 HydrophobicContact CB-CG 4.11Å; A132-W180 HydrophobicContact CB-CZ3 3.84Å; V136-W180 HydrophobicContact CG2-CB 4.34Å; K161-W180 CarbonylContact C-O 3.59Å; K161-W180 VanDerWaalsContact CA-O 3.32Å; K161-W180 WeakPolarHBondContact CA-O 3.38Å; K162-W180 HydrophobicContact CB-CE3 4.34Å; K162-W180 HydrophobicContact CG-CE3 4.35Å; K162-W180 PolarHBondContact N-O 3.14Å; K162-W180 PolarHBondContact O-N 2.88Å; L178-W180 HydrophobicContact CD2-CB 4.05Å; W180-D182 HydrophobicContact CH2-CB 4.19Å; W180-S221 PolarHBondContact NE1-OG 2.79Å; W180-A222 WeakPolarHBondContact CA-O 3.49Å
181A96.3Very high94.5Very high3 Ų344.3 Ų44.33%0.02522%0.219CC..EExtended strand (participates in β ladder)trans-144.7142.1175.700000111.8R160 K161 S221 A222 L311 L313R160-A181 WeakPolarHBondContact O-CA 3.49Å; K161-A181 HydrophobicContact CB-CB 4.28Å; K161-A181 HydrophobicContact CD-CB 4.39Å; K161-A181 HydrophobicContact CG-CB 4.07Å; A181-S221 WeakPolarHBondContact O-CA 3.3Å; A181-S221 VanDerWaalsContact O-CB 3.22Å; A181-S221 WeakPolarHBondContact O-CB 3.45Å; A181-A222 PolarHBondContact N-O 2.92Å; A181-A222 PolarHBondContact O-N 3.34Å; A181-L311 HydrophobicContact CB-CD1 3.82Å; A181-L311 HydrophobicContact CB-CD2 4.47Å; A181-L313 HydrophobicContact CB-CD1 4.21Å
182D93.3Very high94.8Very high40 Ų4046.8 Ų46.821%0.21423%0.229CC..EExtended strand (participates in β ladder)trans-72.5167.7167.2-156.5-11.2000110.8R160 W180 L313R160-D182 HydrophobicContact CB-CB 4.28Å; R160-D182 PolarHBondContact O-N 2.92Å; W180-D182 HydrophobicContact CH2-CB 4.19Å; D182-L313 VanDerWaalsContact O-CD2 3.31Å; D182-L313 WeakPolarHBondContact O-CD2 3.22Å
183L94.8Very high95.4Very high20 Ų2044.4 Ų44.411%0.10521%0.212CC..  trans-71.7145.7174.5-57.2-179.4000111L13 K187 F194 E219 L311L13-L183 HydrophobicContact CD1-CB 3.53Å; L183-K187 HydrophobicContact CB-CB 4.36Å; L183-K187 HydrophobicContact CB-CG 4.25Å; L183-K187 HydrophobicContact CD1-CG 3.98Å; L183-K187 HydrophobicContact CD2-CD 4.3Å; L183-K187 HydrophobicContact CD2-CG 4.07Å; L183-K187 HydrophobicContact CG-CG 4.31Å; L183-F194 HydrophobicContact CD2-CE1 3.89Å; L183-F194 HydrophobicContact CD2-CZ 3.82Å; L183-E219 VanDerWaalsContact CD1-O 3.25Å; L183-E219 WeakPolarHBondContact CD1-O 3.46Å; L183-L311 HydrophobicContact CD2-CD2 4.01Å
184G95.1Very high95.8Very high4 Ų434.8 Ų34.84%0.04117%0.17CC..  trans-108175.2176.700000114.1L13 D186 K187 L311 G312L13-G184 WeakPolarHBondContact CD1-O 3.18Å; G184-D186 PolarHBondContact O-N 3.26Å; G184-D186 VanDerWaalsContact O-N 3.08Å; G184-K187 VanDerWaalsContact O-CB 3.3Å; G184-K187 WeakPolarHBondContact O-CB 3.28Å; G184-K187 PolarHBondContact O-N 3.06Å; G184-K187 VanDerWaalsContact O-N 3.14Å; G184-L311 PolarHBondContact N-O 2.86Å; G184-G312 CarbonylContact C-O 3.54Å; G184-G312 WeakPolarHBondContact CA-O 3.23Å
185P94.4Very high96.2Very high21 Ų2133.7 Ų33.714%0.13617%0.165CC..THydrogen-bonded Turntrans-58.3-23.2-175.825.3-37000114.6L13 D15 G312L13-P185 WeakPolarHBondContact O-CB 3.41Å; D15-P185 HydrophobicContact CB-CB 4.3Å; D15-P185 HydrophobicContact CB-CG 3.87Å; P185-G312 WeakPolarHBondContact CD-O 3.49Å
186D95.7Very high96.4Very high9 Ų932.1 Ų32.15%0.04817%0.167CC..THydrogen-bonded Turntrans-96.517.5-176.4-73.9-29.8000112.5G184 Y188 G312 R318 I426 R429G184-D186 PolarHBondContact O-N 3.26Å; G184-D186 VanDerWaalsContact O-N 3.08Å; D186-Y188 HydrophobicContact CB-CE2 4.23Å; D186-Y188 WeakPolarHBondContact O-CD2 3.47Å; D186-Y188 PolarHBondContact O-N 2.89Å; D186-G312 WeakPolarHBondContact CB-O 3.32Å; D186-G312 PolarHBondContact N-O 2.73Å; D186-R318 IonicContact OD2-NH1 3.66Å; D186-R318 PolarHBondContact OD2-NH1 2.92Å; D186-I426 HydrophobicContact CB-CD1 4.29Å; D186-I426 HydrophobicContact CB-CG1 3.97Å; D186-R429 WeakPolarHBondContact OD1-CD 3.23Å; D186-R429 IonicContact OD1-CZ 3.64Å; D186-R429 IonicContact OD1-NE 3.58Å; D186-R429 IonicContact OD1-NH1 2.76Å; D186-R429 PolarHBondContact OD1-NH1 3.21Å; D186-R429 IonicContact OD2-NH1 3.64Å; D186-R429 PolarHBondContact OD2-NH1 3.36Å; D186-R429 VanDerWaalsContact OD2-NH1 3.07Å
187K95.1Very high96.5Very high31 Ų3132.1 Ų32.114%0.13517%0.167CC..  trans-78.883.6179.9177.347.3172.257.30111.1L13 L183 G184 L189 D191 F194 L310L13-K187 HydrophobicContact CD1-CB 4.44Å; L183-K187 HydrophobicContact CB-CB 4.36Å; L183-K187 HydrophobicContact CB-CG 4.25Å; L183-K187 HydrophobicContact CD1-CG 3.98Å; L183-K187 HydrophobicContact CD2-CD 4.3Å; L183-K187 HydrophobicContact CD2-CG 4.07Å; L183-K187 HydrophobicContact CG-CG 4.31Å; G184-K187 VanDerWaalsContact O-CB 3.3Å; G184-K187 WeakPolarHBondContact O-CB 3.28Å; G184-K187 PolarHBondContact O-N 3.06Å; G184-K187 VanDerWaalsContact O-N 3.14Å; K187-L189 HydrophobicContact CD-CB 4.41Å; K187-L189 PolarHBondContact NZ-O 3.11Å; K187-D191 IonicContact NZ-OD1 3.91Å; K187-D191 PolarHBondContact NZ-OD1 2.76Å; K187-D191 VanDerWaalsContact NZ-OD1 3.07Å; K187-F194 HydrophobicContact CD-CD2 4.33Å; K187-F194 HydrophobicContact CD-CG 4.47Å; K187-L310 WeakPolarHBondContact CD-O 3.48Å
188Y95.7Very high96.5Very high94 Ų9430.9 Ų30.937%0.36916%0.159SC..  trans-97.2-13.9180-62.5-66.7000115D186 C425 I426 R429D186-Y188 HydrophobicContact CB-CE2 4.23Å; D186-Y188 WeakPolarHBondContact O-CD2 3.47Å; D186-Y188 PolarHBondContact O-N 2.89Å; Y188-C425 HydrophobicContact CD1-CB 3.67Å; Y188-C425 HydrophobicContact CD2-CB 3.42Å; Y188-C425 VanDerWaalsContact CD2-CB 3.42Å; Y188-C425 HydrophobicContact CE1-CB 3.97Å; Y188-C425 HydrophobicContact CE2-CB 3.73Å; Y188-C425 HydrophobicContact CG-CB 3.38Å; Y188-I426 HydrophobicContact CD2-CG1 3.66Å; Y188-I426 HydrophobicContact CE2-CB 4.42Å; Y188-I426 HydrophobicContact CE2-CG1 3.73Å; Y188-R429 WeakPolarHBondContact OH-CD 3.48Å
189L96.2Very high96.5Very high13 Ų1336.8 Ų36.87%0.06819%0.185CC..SBendtrans-65.1143.9176.4-69.9166.3000110.6K187 F194 L197 L310 A418 A422K187-L189 HydrophobicContact CD-CB 4.41Å; K187-L189 PolarHBondContact NZ-O 3.11Å; L189-F194 HydrophobicContact CB-CB 4.01Å; L189-F194 HydrophobicContact CD1-CB 4.48Å; L189-F194 HydrophobicContact CD1-CD2 4.44Å; L189-L197 HydrophobicContact CD1-CD1 3.75Å; L189-L197 HydrophobicContact CD2-CD1 3.85Å; L189-L197 HydrophobicContact CG-CD1 4.46Å; L189-L310 HydrophobicContact CD1-CB 4.27Å; L189-L310 HydrophobicContact CD1-CD2 3.9Å; L189-A418 HydrophobicContact CD2-CB 4.06Å; L189-A422 HydrophobicContact CD2-CB 3.8Å; L189-A422 HydrophobicContact CG-CB 3.91Å
190S96.1Very high96.6Very high56 Ų5638.2 Ų38.239%0.39219%0.192SC..  trans-61153165.7800000110.2K192 D193 F194S190-K192 PolarHBondContact O-N 2.58Å; S190-D193 PolarHBondContact O-N 3.04Å; S190-D193 WeakPolarHBondContact OG-CB 3.36Å; S190-D193 PolarHBondContact OG-N 3.29Å; S190-D193 VanDerWaalsContact OG-N 3.14Å; S190-D193 PolarHBondContact OG-OD2 3.23Å; S190-F194 VanDerWaalsContact O-CB 3.23Å; S190-F194 WeakPolarHBondContact O-CB 3.44Å; S190-F194 PolarHBondContact O-N 3.36Å
191D96.1Very high96.6Very high68 Ų6838.3 Ų38.336%0.36419%0.193SC..Hα-helixtrans-62.6-34.7-177.8-64.5-27.6000112.5K187 Q195 E219K187-D191 IonicContact NZ-OD1 3.91Å; K187-D191 PolarHBondContact NZ-OD1 2.76Å; K187-D191 VanDerWaalsContact NZ-OD1 3.07Å; D191-Q195 WeakPolarHBondContact O-CB 3.31Å; D191-Q195 WeakPolarHBondContact O-CG 3.4Å; D191-Q195 PolarHBondContact O-N 2.81Å; D191-E219 HydrophobicContact CB-CG 4.34Å
192K96.9Very high96.7Very high146 Ų14639.6 Ų39.664%0.63520%0.201SC*.Hα-helixtrans-63.4-51.3174.2-176.3174.3179.7170.50111.7S190 Q195 C196S190-K192 PolarHBondContact O-N 2.58Å; K192-Q195 PolarHBondContact O-N 2.82Å; K192-C196 PolarHBondContact O-N 2.89Å; K192-C196 PolarHBondContact O-SG 3.47Å; K192-C196 VanDerWaalsContact O-SG 3.32Å
193D97.8Very high96.9Very high26 Ų2640.2 Ų40.214%0.13921%0.208CC..Hα-helixtrans-68.3-37.9-177.9-61.7-42.7000111.2S190 C196 L197 L415 A418S190-D193 PolarHBondContact O-N 3.04Å; S190-D193 WeakPolarHBondContact OG-CB 3.36Å; S190-D193 PolarHBondContact OG-N 3.29Å; S190-D193 VanDerWaalsContact OG-N 3.14Å; S190-D193 PolarHBondContact OG-OD2 3.23Å; D193-C196 PolarHBondContact O-N 3.44Å; D193-L197 WeakPolarHBondContact O-CB 3.26Å; D193-L197 WeakPolarHBondContact O-CD1 3.16Å; D193-L197 WeakPolarHBondContact O-CG 3.29Å; D193-L197 PolarHBondContact O-N 3.23Å; D193-L415 HydrophobicContact CB-CD2 3.9Å; D193-A418 HydrophobicContact CB-CB 4.1Å
194F98.1Very high97Very high0 Ų039.8 Ų39.80%021%0.207CC..Hα-helixtrans-57.6-52173.3170.3-116.1000112.1L183 K187 L189 S190 C196 L197 I198 A217 A222 L310 L311L183-F194 HydrophobicContact CD2-CE1 3.89Å; L183-F194 HydrophobicContact CD2-CZ 3.82Å; K187-F194 HydrophobicContact CD-CD2 4.33Å; K187-F194 HydrophobicContact CD-CG 4.47Å; L189-F194 HydrophobicContact CB-CB 4.01Å; L189-F194 HydrophobicContact CD1-CB 4.48Å; L189-F194 HydrophobicContact CD1-CD2 4.44Å; S190-F194 VanDerWaalsContact O-CB 3.23Å; S190-F194 WeakPolarHBondContact O-CB 3.44Å; S190-F194 PolarHBondContact O-N 3.36Å; F194-C196 VanDerWaalsContact C-N 3.32Å; F194-C196 PolarHBondContact O-N 3.14Å; F194-L197 PolarHBondContact O-N 3.36Å; F194-I198 HydrophobicContact CD2-CD1 4.49Å; F194-I198 HydrophobicContact CD2-CG1 3.9Å; F194-I198 HydrophobicContact CE2-CD1 3.78Å; F194-I198 HydrophobicContact CE2-CG1 3.51Å; F194-I198 HydrophobicContact CZ-CD1 4.25Å; F194-I198 HydrophobicContact CZ-CG1 3.85Å; F194-I198 WeakPolarHBondContact O-CG1 3.42Å; F194-I198 PolarHBondContact O-N 3.16Å; F194-A217 HydrophobicContact CD1-CB 4.15Å; F194-A217 HydrophobicContact CE1-CB 3.55Å; F194-A217 HydrophobicContact CZ-CB 3.98Å; F194-A222 HydrophobicContact CZ-CB 4.06Å; F194-L310 HydrophobicContact CD2-CB 4.22Å; F194-L310 WeakPolarHBondContact CD2-O 3.42Å; F194-L310 HydrophobicContact CE2-CB 4.19Å; F194-L310 WeakPolarHBondContact CE2-O 3.37Å; F194-L311 HydrophobicContact CE2-CD2 4.12Å; F194-L311 HydrophobicContact CE2-CG 4.2Å; F194-L311 HydrophobicContact CZ-CD2 3.69Å; F194-L311 HydrophobicContact CZ-CG 4.25Å
195Q97.9Very high97Very high52 Ų5242.7 Ų42.724%0.24322%0.221CC..Hα-helixtrans-61.6-40.6178.7-71.9174.830.400111.9D191 K192 K199 A217D191-Q195 WeakPolarHBondContact O-CB 3.31Å; D191-Q195 WeakPolarHBondContact O-CG 3.4Å; D191-Q195 PolarHBondContact O-N 2.81Å; K192-Q195 PolarHBondContact O-N 2.82Å; Q195-K199 WeakPolarHBondContact O-CB 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.38Å; Q195-K199 PolarHBondContact O-N 3.2Å; Q195-K199 VanDerWaalsContact O-N 3.12Å; Q195-A217 HydrophobicContact CG-CB 4.17Å
196C98.2Very high97.1Very high57 Ų5742.2 Ų42.239%0.38522%0.217SC..Hα-helixtrans-62.5-44.4175.1-72.80000112.3K192 D193 F194 K199 L200 L415K192-C196 PolarHBondContact O-N 2.89Å; K192-C196 PolarHBondContact O-SG 3.47Å; K192-C196 VanDerWaalsContact O-SG 3.32Å; D193-C196 PolarHBondContact O-N 3.44Å; F194-C196 VanDerWaalsContact C-N 3.32Å; F194-C196 PolarHBondContact O-N 3.14Å; C196-K199 PolarHBondContact O-N 2.91Å; C196-L200 WeakPolarHBondContact O-CB 3.45Å; C196-L200 PolarHBondContact O-N 3.37Å; C196-L200 VanDerWaalsContact O-N 3.13Å; C196-L415 HydrophobicContact CB-CD1 3.89Å; C196-L415 HydrophobicContact CB-CD2 4.1Å
197L98.4Very high97.1Very high1 Ų142.3 Ų42.31%0.00522%0.218CC..Hα-helixtrans-67-42.5179.6-78.4162.9000112.3L189 D193 F194 K199 L200 L201 L310 I411 L415 L419L189-L197 HydrophobicContact CD1-CD1 3.75Å; L189-L197 HydrophobicContact CD2-CD1 3.85Å; L189-L197 HydrophobicContact CG-CD1 4.46Å; D193-L197 WeakPolarHBondContact O-CB 3.26Å; D193-L197 WeakPolarHBondContact O-CD1 3.16Å; D193-L197 WeakPolarHBondContact O-CG 3.29Å; D193-L197 PolarHBondContact O-N 3.23Å; F194-L197 PolarHBondContact O-N 3.36Å; L197-K199 PolarHBondContact O-N 3.07Å; L197-L200 WeakPolarHBondContact O-CB 3.23Å; L197-L200 PolarHBondContact O-N 3.06Å; L197-L200 VanDerWaalsContact O-N 3.09Å; L197-L201 PolarHBondContact O-N 2.89Å; L197-L310 HydrophobicContact CB-CD1 3.91Å; L197-L310 HydrophobicContact CB-CD2 4.4Å; L197-L310 HydrophobicContact CD1-CD2 4.25Å; L197-I411 HydrophobicContact CD2-CG2 4.34Å; L197-L415 HydrophobicContact CD2-CB 3.99Å; L197-L415 HydrophobicContact CD2-CD1 4.21Å; L197-L415 HydrophobicContact CG-CB 4.32Å; L197-L415 HydrophobicContact CG-CD1 4.22Å; L197-L415 HydrophobicContact CG-CD2 4.31Å; L197-L419 HydrophobicContact CD1-CD2 3.67Å; L197-L419 HydrophobicContact CD1-CG 3.93Å; L197-L419 HydrophobicContact CD2-CD1 3.89Å; L197-L419 HydrophobicContact CD2-CD2 4.2Å; L197-L419 HydrophobicContact CD2-CG 4.06Å
198I98.5Very high97.2Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-60.3-46.5175.8-69.1-70.8000110.6F194 L200 L201 A215 A217 A222 E307 L310F194-I198 HydrophobicContact CD2-CD1 4.49Å; F194-I198 HydrophobicContact CD2-CG1 3.9Å; F194-I198 HydrophobicContact CE2-CD1 3.78Å; F194-I198 HydrophobicContact CE2-CG1 3.51Å; F194-I198 HydrophobicContact CZ-CD1 4.25Å; F194-I198 HydrophobicContact CZ-CG1 3.85Å; F194-I198 WeakPolarHBondContact O-CG1 3.42Å; F194-I198 PolarHBondContact O-N 3.16Å; I198-L200 PolarHBondContact O-N 2.85Å; I198-L201 HydrophobicContact CD1-CD1 4.08Å; I198-L201 WeakPolarHBondContact O-CB 3.31Å; I198-L201 PolarHBondContact O-N 3Å; I198-A215 HydrophobicContact CG2-CB 3.88Å; I198-A215 VanDerWaalsContact O-CB 3.24Å; I198-A215 WeakPolarHBondContact O-CB 3.31Å; I198-A217 HydrophobicContact CB-CB 3.97Å; I198-A217 HydrophobicContact CG1-CB 3.98Å; I198-A217 HydrophobicContact CG2-CB 3.9Å; I198-A222 HydrophobicContact CD1-CB 4.04Å; I198-A222 HydrophobicContact CG1-CB 4.34Å; I198-A222 HydrophobicContact CG2-CB 4.3Å; I198-E307 HydrophobicContact CD1-CB 4.01Å; I198-L310 HydrophobicContact CD1-CB 4.13Å; I198-L310 HydrophobicContact CD1-CD1 3.93Å; I198-L310 HydrophobicContact CG1-CD1 4.42Å
199K97.8Very high97.3Very high124 Ų12437.6 Ų37.654%0.53920%0.2SC..Hα-helixtrans-64.4-20176.9-72.3176.3-178.7177.30113.3Q195 C196 L197 P202Q195-K199 WeakPolarHBondContact O-CB 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.38Å; Q195-K199 PolarHBondContact O-N 3.2Å; Q195-K199 VanDerWaalsContact O-N 3.12Å; C196-K199 PolarHBondContact O-N 2.91Å; L197-K199 PolarHBondContact O-N 3.07Å; K199-P202 WeakPolarHBondContact O-CD 3.41Å
200L97.9Very high97.3Very high35 Ų3538 Ų3818%0.18320%0.2CC..Hα-helixtrans-81.3-22.8177.7-166.568.5000112.8C196 L197 I198 P202 S203 F409 I411C196-L200 WeakPolarHBondContact O-CB 3.45Å; C196-L200 PolarHBondContact O-N 3.37Å; C196-L200 VanDerWaalsContact O-N 3.13Å; L197-L200 WeakPolarHBondContact O-CB 3.23Å; L197-L200 PolarHBondContact O-N 3.06Å; L197-L200 VanDerWaalsContact O-N 3.09Å; I198-L200 PolarHBondContact O-N 2.85Å; L200-P202 VanDerWaalsContact C-CD 3.44Å; L200-S203 WeakPolarHBondContact CD1-OG 3.34Å; L200-S203 WeakPolarHBondContact O-CB 3.32Å; L200-S203 PolarHBondContact O-N 2.86Å; L200-S203 PolarHBondContact O-OG 2.89Å; L200-F409 HydrophobicContact CD2-CE2 3.95Å; L200-F409 HydrophobicContact CD2-CZ 4.3Å; L200-F409 HydrophobicContact CG-CE2 3.84Å; L200-F409 HydrophobicContact CG-CZ 4.47Å; L200-I411 HydrophobicContact CD2-CB 4.35Å; L200-I411 HydrophobicContact CD2-CG1 4.13Å; L200-I411 HydrophobicContact CD2-CG2 4.31Å
201L98.3Very high97.3Very high5 Ų541.9 Ų41.93%0.02621%0.207CC..G310 helixtrans-53.3-40.3-175.6-67.3174.1000114.9L197 I198 S203 C204 V212 L224 F284 L306 E307 L310L197-L201 PolarHBondContact O-N 2.89Å; I198-L201 HydrophobicContact CD1-CD1 4.08Å; I198-L201 WeakPolarHBondContact O-CB 3.31Å; I198-L201 PolarHBondContact O-N 3Å; L201-S203 PolarHBondContact O-N 2.86Å; L201-S203 VanDerWaalsContact O-N 3.14Å; L201-C204 WeakPolarHBondContact O-CB 3.34Å; L201-C204 PolarHBondContact O-N 3.34Å; L201-C204 VanDerWaalsContact O-N 3.08Å; L201-V212 HydrophobicContact CB-CG2 4.36Å; L201-L224 HydrophobicContact CD1-CD2 3.75Å; L201-F284 HydrophobicContact CD2-CE2 4.44Å; L201-F284 HydrophobicContact CD2-CZ 4Å; L201-L306 HydrophobicContact CD2-CB 4.25Å; L201-E307 HydrophobicContact CD1-CB 3.71Å; L201-L310 HydrophobicContact CD1-CD1 4.29Å; L201-L310 HydrophobicContact CD2-CD1 4.23Å; L201-L310 HydrophobicContact CG-CD1 4.4Å
202P97.9Very high97.4Very high30 Ų3039.2 Ų39.220%0.19519%0.193CC..G310 helixtrans-61.8-18.7175.9-23.134.7000114.7K199 L200 C204 V212 A215K199-P202 WeakPolarHBondContact O-CD 3.41Å; L200-P202 VanDerWaalsContact C-CD 3.44Å; P202-C204 VanDerWaalsContact C-N 3.34Å; P202-V212 WeakPolarHBondContact CA-O 3.4Å; P202-V212 WeakPolarHBondContact CB-O 3.36Å; P202-V212 HydrophobicContact CG-CB 4.44Å; P202-V212 HydrophobicContact CG-CG1 3.98Å; P202-A215 HydrophobicContact CG-CB 4.09Å
203S97.1Very high97.3Very high53 Ų5335.1 Ų35.137%0.37118%0.18SC..G310 helixtrans-83.1-7.7176.977.20000113.9L200 L201 L205L200-S203 WeakPolarHBondContact CD1-OG 3.34Å; L200-S203 WeakPolarHBondContact O-CB 3.32Å; L200-S203 PolarHBondContact O-N 2.86Å; L200-S203 PolarHBondContact O-OG 2.89Å; L201-S203 PolarHBondContact O-N 2.86Å; L201-S203 VanDerWaalsContact O-N 3.14Å; S203-L205 PolarHBondContact O-N 3.02Å
204C97.2Very high97.2Very high10 Ų1036.3 Ų36.37%0.06818%0.184CC..  trans-74.3111.7175.3-172.20000109.7L201 P202 F409L201-C204 WeakPolarHBondContact O-CB 3.34Å; L201-C204 PolarHBondContact O-N 3.34Å; L201-C204 VanDerWaalsContact O-N 3.08Å; P202-C204 VanDerWaalsContact C-N 3.34Å; C204-F409 HydrophobicContact CB-CB 4.48Å; C204-F409 HydrophobicContact CB-CD1 4.34Å; C204-F409 HydrophobicContact CB-CD2 3.64Å; C204-F409 HydrophobicContact CB-CE1 4.47Å; C204-F409 HydrophobicContact CB-CE2 3.79Å; C204-F409 HydrophobicContact CB-CG 3.95Å; C204-F409 HydrophobicContact CB-CZ 4.23Å
205L95.4Very high97.2Very high66 Ų6636.6 Ų36.635%0.34619%0.186SC..BIsolated β-bridgetrans-107.4115.9176.8-56-177.5000108.6S203 P407 Q408S203-L205 PolarHBondContact O-N 3.02Å; L205-P407 CarbonylContact O-C 3.43Å; L205-P407 WeakPolarHBondContact O-CA 3.38Å; L205-Q408 HydrophobicContact CB-CB 4.48Å; L205-Q408 PolarHBondContact N-O 2.97Å; L205-Q408 PolarHBondContact O-N 2.93Å
206H96.2Very high97.1Very high11 Ų1135.6 Ų35.65%0.05118%0.184CC..  trans-154.3133.5175.4-171.9-73.2000108.6Y208 I209 F278H206-Y208 AromaticContact CE1-CD2 3.77Å; H206-Y208 PolarHBondContact ND1-N 3.47Å; H206-Y208 PolarHBondContact O-N 3.05Å; H206-Y208 VanDerWaalsContact O-N 3.14Å; H206-I209 HydrophobicContact CB-CB 3.9Å; H206-I209 HydrophobicContact CB-CD1 3.57Å; H206-I209 HydrophobicContact CB-CG1 3.66Å; H206-I209 PolarHBondContact O-N 3.28Å; H206-I209 VanDerWaalsContact O-N 3.08Å; H206-F278 AromaticContact CD2-CD1 3.57Å; H206-F278 AromaticContact CD2-CE1 3.99Å; H206-F278 AromaticContact CD2-CG 3.56Å; H206-F278 AromaticContact NE2-CG 3.93Å
207P95.8Very high97Very high10 Ų1033.5 Ų33.57%0.06517%0.17CC..THydrogen-bonded Turntrans-58-34.3-175.520.9-32.7000112.3R302 T403P207-R302 PolarHBondContact O-NH1 3.33Å; P207-T403 HydrophobicContact CB-CG2 4.49Å; P207-T403 WeakPolarHBondContact CB-OG1 3.33Å; P207-T403 HydrophobicContact CG-CG2 3.99Å
208Y97.6Very high96.7Very high15 Ų1536.5 Ų36.56%0.05919%0.186CC..THydrogen-bonded Turntrans-10316.8-179.2-46.8-57.7000114.7H206 Q271 E274 V275 T300 R302 L303 L401 T403H206-Y208 AromaticContact CE1-CD2 3.77Å; H206-Y208 PolarHBondContact ND1-N 3.47Å; H206-Y208 PolarHBondContact O-N 3.05Å; H206-Y208 VanDerWaalsContact O-N 3.14Å; Y208-Q271 HydrophobicContact CD1-CB 3.89Å; Y208-Q271 HydrophobicContact CD1-CG 3.66Å; Y208-Q271 HydrophobicContact CD2-CB 4.3Å; Y208-Q271 HydrophobicContact CD2-CG 4.35Å; Y208-Q271 HydrophobicContact CE1-CB 4.28Å; Y208-Q271 HydrophobicContact CE1-CG 3.55Å; Y208-Q271 HydrophobicContact CE2-CG 4.27Å; Y208-Q271 HydrophobicContact CG-CB 3.91Å; Y208-Q271 HydrophobicContact CG-CG 4.09Å; Y208-E274 HydrophobicContact CD2-CB 4.47Å; Y208-V275 VanDerWaalsContact CB-CG2 3.44Å; Y208-V275 WeakPolarHBondContact O-CG2 3.44Å; Y208-T300 HydrophobicContact CD1-CG2 3.49Å; Y208-T300 VanDerWaalsContact CD1-CG2 3.49Å; Y208-T300 HydrophobicContact CE1-CG2 3.64Å; Y208-R302 CarbonylContact O-C 3.54Å; Y208-R302 VanDerWaalsContact O-CA 3.24Å; Y208-R302 WeakPolarHBondContact O-CA 3.45Å; Y208-L303 PolarHBondContact O-N 3.32Å; Y208-L401 HydrophobicContact CE2-CD1 3.72Å; Y208-L401 WeakPolarHBondContact OH-CB 3.42Å; Y208-T403 HydrophobicContact CE2-CG2 4.47Å
209I97.6Very high96.2Very high12 Ų1243.2 Ų43.26%0.06222%0.218CC..BIsolated β-bridgetrans-108.8132.3168.1-63.1174.9000108.3H206 R211 V275 F278 L279 L306H206-I209 HydrophobicContact CB-CB 3.9Å; H206-I209 HydrophobicContact CB-CD1 3.57Å; H206-I209 HydrophobicContact CB-CG1 3.66Å; H206-I209 PolarHBondContact O-N 3.28Å; H206-I209 VanDerWaalsContact O-N 3.08Å; I209-R211 PolarHBondContact O-N 3.27Å; I209-V275 HydrophobicContact CD1-CG1 3.88Å; I209-V275 HydrophobicContact CG1-CG1 3.55Å; I209-V275 HydrophobicContact CG1-CG2 4.15Å; I209-F278 HydrophobicContact CD1-CD1 4.18Å; I209-F278 HydrophobicContact CD1-CE1 4.16Å; I209-L279 HydrophobicContact CD1-CD2 4.45Å; I209-L306 HydrophobicContact CD1-CD2 4.24Å; I209-L306 HydrophobicContact CG2-CD1 4.08Å; I209-L306 HydrophobicContact CG2-CD2 4.39Å
210Y97.3Very high95.8Very high21 Ų2139.7 Ų39.78%0.08221%0.209CC..  trans-75.2114.4-179.1-164.8-103.8000109.8V212 R226 M227 M295 R302 L303 L304Y210-V212 PolarHBondContact O-N 3.5Å; Y210-R226 HydrophobicContact CD1-CB 4.35Å; Y210-R226 HydrophobicContact CD1-CG 4.43Å; Y210-R226 HydrophobicContact CE1-CB 3.93Å; Y210-R226 HydrophobicContact CE1-CG 4.49Å; Y210-M227 PolarHBondContact OH-O 3.4Å; Y210-M295 HydrophobicContact CD2-CB 3.72Å; Y210-M295 HydrophobicContact CD2-CG 3.61Å; Y210-M295 HydrophobicContact CE1-CE 4.09Å; Y210-M295 HydrophobicContact CE1-CG 4.48Å; Y210-M295 HydrophobicContact CE2-CB 4.16Å; Y210-M295 HydrophobicContact CE2-CG 3.5Å; Y210-M295 HydrophobicContact CG-CB 4.01Å; Y210-M295 HydrophobicContact CG-CG 4.2Å; Y210-R302 HydrophobicContact CD2-CB 4.1Å; Y210-L303 PolarHBondContact N-O 3.36Å; Y210-L304 HydrophobicContact CD1-CD2 3.35Å; Y210-L304 HydrophobicContact CE1-CD2 4.2Å; Y210-L304 HydrophobicContact CG-CD2 3.67Å
211R95.3Very high95.6Very high138 Ų13838.2 Ų38.252%0.52120%0.201SC..  trans-57.2130.6-167.3-173.7-179.8-176.883.87112.3I209I209-R211 PolarHBondContact O-N 3.27Å
212V97.7Very high95.6Very high12 Ų1238 Ų387%0.07320%0.2CC..  trans-83.7119.8166-176.10000108.4L201 P202 Y210 F214 A215 L224 R226L201-V212 HydrophobicContact CB-CG2 4.36Å; P202-V212 WeakPolarHBondContact CA-O 3.4Å; P202-V212 WeakPolarHBondContact CB-O 3.36Å; P202-V212 HydrophobicContact CG-CB 4.44Å; P202-V212 HydrophobicContact CG-CG1 3.98Å; Y210-V212 PolarHBondContact O-N 3.5Å; V212-F214 VanDerWaalsContact CG1-O 3.27Å; V212-F214 WeakPolarHBondContact CG1-O 3.21Å; V212-A215 HydrophobicContact CG1-CB 3.95Å; V212-L224 HydrophobicContact CG1-CD2 4.07Å; V212-L224 HydrophobicContact CG2-CD2 4.33Å; V212-R226 VanDerWaalsContact CG2-NH2 3.33Å
213T95.6Very high95.5Very high59 Ų5937 Ų3736%0.36219%0.193SC..SBendtrans-78.7-38.5178.3-530000110.8I225T213-I225 WeakPolarHBondContact CB-O 3.34Å; T213-I225 PolarHBondContact N-O 3.42Å
214F96.1Very high95.5Very high51 Ų5134.6 Ų34.622%0.22418%0.176CC..EExtended strand (participates in β ladder)trans-152.7147.2179.4179.5-89.6000110.2F139 W146 V212 T216 L223 L224 I225F139-F214 AromaticContact CE1-CE1 3.97Å; F139-F214 HydrophobicContact CE1-CE1 3.97Å; F139-F214 AromaticContact CE2-CE1 3.71Å; F139-F214 HydrophobicContact CE2-CE1 3.71Å; F139-F214 AromaticContact CE2-CZ 3.72Å; F139-F214 HydrophobicContact CE2-CZ 3.72Å; F139-F214 HydrophobicContact CZ-CD1 4.02Å; F139-F214 AromaticContact CZ-CE1 3.15Å; F139-F214 HydrophobicContact CZ-CE1 3.15Å; F139-F214 HydrophobicContact CZ-CE2 4.41Å; F139-F214 AromaticContact CZ-CZ 3.4Å; F139-F214 HydrophobicContact CZ-CZ 3.4Å; W146-F214 HydrophobicContact CH2-CB 3.99Å; W146-F214 HydrophobicContact CH2-CD1 4.23Å; W146-F214 AromaticContact CH2-CD2 3.74Å; W146-F214 HydrophobicContact CH2-CD2 3.74Å; W146-F214 HydrophobicContact CH2-CE2 4.28Å; W146-F214 AromaticContact CH2-CG 3.71Å; W146-F214 HydrophobicContact CH2-CG 3.71Å; W146-F214 HydrophobicContact CZ2-CB 4.21Å; W146-F214 HydrophobicContact CZ2-CG 4.43Å; W146-F214 HydrophobicContact CZ3-CD2 4.49Å; W146-F214 HydrophobicContact CZ3-CG 4.4Å; V212-F214 VanDerWaalsContact CG1-O 3.27Å; V212-F214 WeakPolarHBondContact CG1-O 3.21Å; F214-T216 HydrophobicContact CE1-CG2 3.79Å; F214-T216 HydrophobicContact CZ-CG2 4.33Å; F214-L223 HydrophobicContact CD1-CD2 4.37Å; F214-L223 HydrophobicContact CE1-CD2 4.48Å; F214-L224 CarbonylContact O-C 3.47Å; F214-L224 WeakPolarHBondContact O-CA 3.42Å; F214-I225 HydrophobicContact CB-CB 4.13Å; F214-I225 HydrophobicContact CB-CD1 4.26Å; F214-I225 HydrophobicContact CB-CG1 4.38Å; F214-I225 HydrophobicContact CD1-CD1 4.08Å; F214-I225 HydrophobicContact CD1-CG1 4.36Å; F214-I225 HydrophobicContact CG-CD1 4.46Å; F214-I225 PolarHBondContact N-O 3.44Å; F214-I225 PolarHBondContact O-N 2.81Å
215A97.4Very high95.6Very high6 Ų634.1 Ų34.15%0.0517%0.173CC..EExtended strand (participates in β ladder)trans-149.5139.3174.200000111.3I198 P202 V212 L223 L224I198-A215 HydrophobicContact CG2-CB 3.88Å; I198-A215 VanDerWaalsContact O-CB 3.24Å; I198-A215 WeakPolarHBondContact O-CB 3.31Å; P202-A215 HydrophobicContact CG-CB 4.09Å; V212-A215 HydrophobicContact CG1-CB 3.95Å; A215-L223 WeakPolarHBondContact CA-O 3.35Å; A215-L224 HydrophobicContact CB-CD2 4.06Å; A215-L224 HydrophobicContact CB-CG 3.94Å
216T96.3Very high95.6Very high31 Ų3131.7 Ų31.719%0.1916%0.159CC..EExtended strand (participates in β ladder)trans-147.1161.3172.3-165.70000110.1F139 F214 A222 L223F139-T216 HydrophobicContact CD2-CG2 4.04Å; F139-T216 HydrophobicContact CE2-CG2 3.86Å; F139-T216 HydrophobicContact CZ-CG2 4.45Å; F214-T216 HydrophobicContact CE1-CG2 3.79Å; F214-T216 HydrophobicContact CZ-CG2 4.33Å; T216-A222 WeakPolarHBondContact O-CA 3.44Å; T216-L223 HydrophobicContact CG2-CB 4.16Å; T216-L223 PolarHBondContact N-O 3.41Å; T216-L223 PolarHBondContact O-N 3.44Å; T216-L223 VanDerWaalsContact O-O 3.13Å
217A96.2Very high95.6Very high13 Ų1334.8 Ų34.811%0.10718%0.175CC..EExtended strand (participates in β ladder)trans-146158.6178.100000110.9F194 Q195 I198 S221 A222F194-A217 HydrophobicContact CD1-CB 4.15Å; F194-A217 HydrophobicContact CE1-CB 3.55Å; F194-A217 HydrophobicContact CZ-CB 3.98Å; Q195-A217 HydrophobicContact CG-CB 4.17Å; I198-A217 HydrophobicContact CB-CB 3.97Å; I198-A217 HydrophobicContact CG1-CB 3.98Å; I198-A217 HydrophobicContact CG2-CB 3.9Å; A217-S221 WeakPolarHBondContact CA-O 3.26Å; A217-S221 WeakPolarHBondContact CB-O 3.35Å; A217-A222 HydrophobicContact CB-CB 3.98Å
218N91.8Very high95.6Very high64 Ų6436.3 Ų36.334%0.34218%0.18SC..  trans-123.6-171.3166.961.443.5000109.1S220 S221N218-S220 PolarHBondContact O-N 2.73Å; N218-S220 VanDerWaalsContact O-N 3.17Å; N218-S220 WeakPolarHBondContact OD1-CA 3.37Å; N218-S220 PolarHBondContact OD1-N 2.92Å; N218-S220 PolarHBondContact OD1-OG 2.84Å; N218-S221 PolarHBondContact N-O 2.92Å; N218-S221 PolarHBondContact ND2-OG 3.27Å; N218-S221 VanDerWaalsContact ND2-OG 3.11Å; N218-S221 PolarHBondContact OD1-N 3.37Å; N218-S221 PolarHBondContact OD1-OG 2.97Å
219E88.7Confident95.4Very high142 Ų14236.6 Ų36.666%0.66418%0.183SC*.SBendtrans-66.3-12-179-63.4170.8-172.300113.9L183 D191L183-E219 VanDerWaalsContact CD1-O 3.25Å; L183-E219 WeakPolarHBondContact CD1-O 3.46Å; D191-E219 HydrophobicContact CB-CG 4.34Å
220S88.9Confident95.2Very high50 Ų5043.5 Ų43.535%0.3522%0.215SC..SBendtrans-126.3-7.8-172.965.40000114.7N218N218-S220 PolarHBondContact O-N 2.73Å; N218-S220 VanDerWaalsContact O-N 3.17Å; N218-S220 WeakPolarHBondContact OD1-CA 3.37Å; N218-S220 PolarHBondContact OD1-N 2.92Å; N218-S220 PolarHBondContact OD1-OG 2.84Å
221S94.3Very high94.9Very high3 Ų348.8 Ų48.82%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-168166.9-172.3610000112.6Q135 W180 A181 A217 N218Q135-S221 PolarHBondContact OE1-OG 3.09Å; W180-S221 PolarHBondContact NE1-OG 2.79Å; A181-S221 WeakPolarHBondContact O-CA 3.3Å; A181-S221 VanDerWaalsContact O-CB 3.22Å; A181-S221 WeakPolarHBondContact O-CB 3.45Å; A217-S221 WeakPolarHBondContact CA-O 3.26Å; A217-S221 WeakPolarHBondContact CB-O 3.35Å; N218-S221 PolarHBondContact N-O 2.92Å; N218-S221 PolarHBondContact ND2-OG 3.27Å; N218-S221 VanDerWaalsContact ND2-OG 3.11Å; N218-S221 PolarHBondContact OD1-N 3.37Å; N218-S221 PolarHBondContact OD1-OG 2.97Å
222A97.1Very high94.9Very high1 Ų142.3 Ų42.31%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-127.8154.9165.300000112.3W180 A181 F194 I198 T216 A217 L224 L311W180-A222 WeakPolarHBondContact CA-O 3.49Å; A181-A222 PolarHBondContact N-O 2.92Å; A181-A222 PolarHBondContact O-N 3.34Å; F194-A222 HydrophobicContact CZ-CB 4.06Å; I198-A222 HydrophobicContact CD1-CB 4.04Å; I198-A222 HydrophobicContact CG1-CB 4.34Å; I198-A222 HydrophobicContact CG2-CB 4.3Å; T216-A222 WeakPolarHBondContact O-CA 3.44Å; A217-A222 HydrophobicContact CB-CB 3.98Å; A222-L224 HydrophobicContact CB-CD1 4.16Å; A222-L311 HydrophobicContact CB-CD1 4.33Å; A222-L311 HydrophobicContact CB-CD2 3.76Å; A222-L311 HydrophobicContact CB-CG 4.25Å
223L96.4Very high94.9Very high9 Ų942.5 Ų42.55%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-130127.5177.7-179.5165.6000108.4V136 F139 L178 S179 F214 A215 T216 I225V136-L223 HydrophobicContact CG2-CD1 4.07Å; F139-L223 HydrophobicContact CB-CD1 4.08Å; F139-L223 HydrophobicContact CD1-CD1 3.63Å; F139-L223 HydrophobicContact CD1-CD2 4.28Å; F139-L223 HydrophobicContact CE1-CD1 4.32Å; F139-L223 HydrophobicContact CE1-CD2 4.15Å; F139-L223 HydrophobicContact CG-CD1 3.88Å; L178-L223 HydrophobicContact CD1-CD1 3.7Å; L178-L223 HydrophobicContact CD1-CD2 3.62Å; L178-L223 HydrophobicContact CD1-CG 3.61Å; L178-L223 HydrophobicContact CD2-CG 4.09Å; L178-L223 HydrophobicContact CG-CD1 4.38Å; L178-L223 HydrophobicContact CG-CD2 3.92Å; L178-L223 HydrophobicContact CG-CG 3.8Å; S179-L223 WeakPolarHBondContact O-CA 3.32Å; F214-L223 HydrophobicContact CD1-CD2 4.37Å; F214-L223 HydrophobicContact CE1-CD2 4.48Å; A215-L223 WeakPolarHBondContact CA-O 3.35Å; T216-L223 HydrophobicContact CG2-CB 4.16Å; T216-L223 PolarHBondContact N-O 3.41Å; T216-L223 PolarHBondContact O-N 3.44Å; T216-L223 VanDerWaalsContact O-O 3.13Å; L223-I225 HydrophobicContact CD2-CD1 4.24Å; L223-I225 HydrophobicContact CD2-CG1 3.89Å
224L97.8Very high95Very high2 Ų239.7 Ų39.71%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-130.5145177.9-6291.1000110.8L178 S179 L201 V212 F214 A215 A222 E307L178-L224 CarbonylContact C-O 3.6Å; L178-L224 WeakPolarHBondContact CA-O 3.42Å; S179-L224 PolarHBondContact N-O 3.33Å; S179-L224 PolarHBondContact O-N 3.46Å; L201-L224 HydrophobicContact CD1-CD2 3.75Å; V212-L224 HydrophobicContact CG1-CD2 4.07Å; V212-L224 HydrophobicContact CG2-CD2 4.33Å; F214-L224 CarbonylContact O-C 3.47Å; F214-L224 WeakPolarHBondContact O-CA 3.42Å; A215-L224 HydrophobicContact CB-CD2 4.06Å; A215-L224 HydrophobicContact CB-CG 3.94Å; A222-L224 HydrophobicContact CB-CD1 4.16Å; L224-E307 HydrophobicContact CD1-CB 3.97Å; L224-E307 HydrophobicContact CD1-CG 3.64Å; L224-E307 HydrophobicContact CD2-CB 3.77Å; L224-E307 VanDerWaalsContact CD2-CD 3.49Å; L224-E307 HydrophobicContact CD2-CG 3.83Å; L224-E307 HydrophobicContact CG-CG 4.39Å
225I97.5Very high95.1Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-122.6134.8179.2-54.4177.5000109.2F140 W146 M166 L176 V177 L178 T213 F214 L223F140-I225 HydrophobicContact CE1-CD1 4.5Å; W146-I225 HydrophobicContact CD2-CD1 3.86Å; W146-I225 HydrophobicContact CE3-CD1 3.86Å; W146-I225 HydrophobicContact CH2-CD1 4.03Å; W146-I225 HydrophobicContact CZ2-CD1 4.02Å; W146-I225 HydrophobicContact CZ3-CD1 3.95Å; M166-I225 HydrophobicContact CE-CD1 4.03Å; L176-I225 HydrophobicContact CB-CG2 3.98Å; L176-I225 HydrophobicContact CD1-CG2 3.88Å; L176-I225 HydrophobicContact CG-CG2 4.37Å; V177-I225 WeakPolarHBondContact O-CA 3.25Å; L178-I225 HydrophobicContact CB-CG1 4.29Å; L178-I225 HydrophobicContact CD1-CG1 4.32Å; L178-I225 HydrophobicContact CG-CG1 4.38Å; T213-I225 WeakPolarHBondContact CB-O 3.34Å; T213-I225 PolarHBondContact N-O 3.42Å; F214-I225 HydrophobicContact CB-CB 4.13Å; F214-I225 HydrophobicContact CB-CD1 4.26Å; F214-I225 HydrophobicContact CB-CG1 4.38Å; F214-I225 HydrophobicContact CD1-CD1 4.08Å; F214-I225 HydrophobicContact CD1-CG1 4.36Å; F214-I225 HydrophobicContact CG-CD1 4.46Å; F214-I225 PolarHBondContact N-O 3.44Å; F214-I225 PolarHBondContact O-N 2.81Å; L223-I225 HydrophobicContact CD2-CD1 4.24Å; L223-I225 HydrophobicContact CD2-CG1 3.89Å
226R97.1Very high95.1Very high16 Ų1637.6 Ų37.66%0.0619%0.188CC..EExtended strand (participates in β ladder)trans-137.6163.5178.1-64.1171.8167.195.9-2.7110.4L176 V177 Y210 V212 E307L176-R226 CarbonylContact C-O 3.52Å; L176-R226 VanDerWaalsContact CA-O 3.23Å; L176-R226 WeakPolarHBondContact CA-O 2.91Å; L176-R226 WeakPolarHBondContact CB-O 3.49Å; V177-R226 PolarHBondContact N-O 3.33Å; V177-R226 PolarHBondContact O-N 3.23Å; Y210-R226 HydrophobicContact CD1-CB 4.35Å; Y210-R226 HydrophobicContact CD1-CG 4.43Å; Y210-R226 HydrophobicContact CE1-CB 3.93Å; Y210-R226 HydrophobicContact CE1-CG 4.49Å; V212-R226 VanDerWaalsContact CG2-NH2 3.33Å; R226-E307 IonicContact CZ-OE1 3.84Å; R226-E307 IonicContact CZ-OE2 3.03Å; R226-E307 IonicContact NH1-OE1 3.15Å; R226-E307 PolarHBondContact NH1-OE1 3.37Å; R226-E307 IonicContact NH1-OE2 3.6Å; R226-E307 VanDerWaalsContact NH2-CD 3.34Å; R226-E307 IonicContact NH2-OE1 2.72Å; R226-E307 PolarHBondContact NH2-OE1 3.43Å; R226-E307 IonicContact NH2-OE2 2.73Å; R226-E307 PolarHBondContact NH2-OE2 3.06Å
227M95.6Very high95.1Very high76 Ų7638.5 Ų38.537%0.37419%0.192SC..EExtended strand (participates in β ladder)trans-62.1137167.8-59.8-55-65.300110.1E174 L176 Y210E174-M227 HydrophobicContact CB-CE 4.4Å; L176-M227 HydrophobicContact CD2-CE 4.07Å; L176-M227 HydrophobicContact CD2-SD 3.28Å; L176-M227 WeakPolarHBondContact CD2-SD 3.36Å; Y210-M227 PolarHBondContact OH-O 3.4Å
228F95.6Very high95.2Very high41 Ų4137.9 Ų37.918%0.1819%0.187CC..  trans-73.2140.8169.7179.6-119.1000109.4L165 R175 V177 E230 K244L165-F228 HydrophobicContact CD1-CB 4.29Å; L165-F228 HydrophobicContact CD1-CD1 4.21Å; L165-F228 HydrophobicContact CD1-CD2 4.22Å; L165-F228 HydrophobicContact CD1-CG 3.97Å; R175-F228 HydrophobicContact CB-CB 3.74Å; R175-F228 HydrophobicContact CB-CD1 3.98Å; R175-F228 HydrophobicContact CB-CG 4.27Å; R175-F228 WeakPolarHBondContact O-CB 3.45Å; R175-F228 PolarHBondContact O-N 3.1Å; V177-F228 HydrophobicContact CG2-CB 3.9Å; V177-F228 HydrophobicContact CG2-CD2 3.37Å; V177-F228 HydrophobicContact CG2-CE2 4.31Å; V177-F228 HydrophobicContact CG2-CG 4.05Å; F228-E230 HydrophobicContact CD1-CG 4.24Å; F228-E230 HydrophobicContact CE1-CG 3.89Å; F228-K244 HydrophobicContact CE2-CG 4.35Å; F228-K244 HydrophobicContact CZ-CD 4.3Å; F228-K244 HydrophobicContact CZ-CG 3.9Å
229N94.3Very high95.5Very high21 Ų2135.8 Ų35.811%0.11217%0.174CC..  trans-123.3121.4178.6-174.2-36.3000109.4K231 G232 M295 L296N229-K231 VanDerWaalsContact C-N 3.33Å; N229-K231 WeakPolarHBondContact OD1-CB 3.06Å; N229-K231 PolarHBondContact OD1-N 3.24Å; N229-G232 PolarHBondContact O-N 2.9Å; N229-G232 PolarHBondContact OD1-N 3.1Å; N229-M295 HydrophobicContact CB-CE 4.07Å; N229-M295 HydrophobicContact CB-CG 4.22Å; N229-M295 HydrophobicContact CB-SD 3.57Å; N229-M295 VanDerWaalsContact CB-SD 3.57Å; N229-L296 PolarHBondContact ND2-O 3.42Å
230E92.3Very high95.8Very high158 Ų15833.8 Ų33.874%0.73816%0.163SC*.SBendtrans-75-20.6-176.7-58.7-165.8157.600113.7F228 P243F228-E230 HydrophobicContact CD1-CG 4.24Å; F228-E230 HydrophobicContact CE1-CG 3.89Å; E230-P243 WeakPolarHBondContact O-CG 3.27Å
231K91.8Very high96.2Very high131 Ų13132.4 Ų32.457%0.5716%0.155SC*.SBendtrans-77.1-27.5174.6-61.7-174.8174.9-175.40112N229N229-K231 VanDerWaalsContact C-N 3.33Å; N229-K231 WeakPolarHBondContact OD1-CB 3.06Å; N229-K231 PolarHBondContact OD1-N 3.24Å
232G94.8Very high96.2Very high2 Ų239.3 Ų39.32%0.02119%0.185CC..  trans72.7-153.4-179.300000114.1N229 P243 M295 L296N229-G232 PolarHBondContact O-N 2.9Å; N229-G232 PolarHBondContact OD1-N 3.1Å; G232-P243 VanDerWaalsContact CA-CG 3.49Å; G232-M295 VanDerWaalsContact C-SD 3.6Å; G232-L296 PolarHBondContact O-N 3.27Å; G232-L296 VanDerWaalsContact O-N 3.1Å
233T97.5Very high96.1Very high17 Ų1740.6 Ų40.610%0.10419%0.193CC..BIsolated β-bridgetrans-88.9165.7-171.266.60000112.1K235 D236 L237 S292 V294 L304T233-K235 PolarHBondContact O-N 3.13Å; T233-D236 WeakPolarHBondContact CB-OD2 3.19Å; T233-D236 PolarHBondContact N-OD2 3.21Å; T233-D236 WeakPolarHBondContact O-CA 3.13Å; T233-D236 WeakPolarHBondContact O-CB 3.2Å; T233-D236 PolarHBondContact O-N 3.48Å; T233-D236 PolarHBondContact OG1-N 3.48Å; T233-D236 PolarHBondContact OG1-OD2 3.43Å; T233-L237 PolarHBondContact O-N 3.13Å; T233-L237 VanDerWaalsContact O-N 3.09Å; T233-S292 VanDerWaalsContact CG2-O 3.3Å; T233-S292 WeakPolarHBondContact CG2-O 3.38Å; T233-V294 CarbonylContact C-O 3.2Å; T233-V294 WeakPolarHBondContact CA-O 3.41Å; T233-V294 WeakPolarHBondContact CB-O 3.32Å; T233-L304 HydrophobicContact CG2-CD1 4.32Å
234L98.1Very high96Very high0 Ų044.3 Ų44.30%021%0.209CC..Hα-helixtrans-55-35.9171.5-177.162.8000111.7L237 I238 L260 Y268 T291 V294 L296 L341 M345L234-L237 HydrophobicContact CD1-CD2 4.47Å; L234-L237 PolarHBondContact O-N 3.33Å; L234-I238 HydrophobicContact CG-CD1 4.21Å; L234-I238 WeakPolarHBondContact O-CG1 3.46Å; L234-I238 PolarHBondContact O-N 3.41Å; L234-I238 VanDerWaalsContact O-N 3.09Å; L234-L260 HydrophobicContact CD1-CD1 3.76Å; L234-Y268 HydrophobicContact CD1-CD2 3.97Å; L234-Y268 HydrophobicContact CD1-CE2 4.18Å; L234-T291 WeakPolarHBondContact CB-O 3.4Å; L234-T291 HydrophobicContact CD2-CG2 4.2Å; L234-T291 HydrophobicContact CG-CG2 4.42Å; L234-V294 HydrophobicContact CB-CB 3.91Å; L234-V294 HydrophobicContact CB-CG1 4.04Å; L234-V294 HydrophobicContact CD2-CB 4.23Å; L234-V294 HydrophobicContact CD2-CG1 4.12Å; L234-V294 PolarHBondContact N-O 3.09Å; L234-L296 HydrophobicContact CD1-CD2 4.13Å; L234-L341 HydrophobicContact CD2-CD2 4.33Å; L234-M345 HydrophobicContact CD2-CG 3.9Å; L234-M345 HydrophobicContact CD2-SD 3.8Å
235K97.8Very high95.9Very high7 Ų746.2 Ų46.23%0.0322%0.219CC..Hα-helixtrans-66.5-38.6173.9-156.2178.7-179.887.90112T233 L237 I238 Y239 Y251 T291 S292 E344T233-K235 PolarHBondContact O-N 3.13Å; K235-L237 VanDerWaalsContact C-N 3.29Å; K235-L237 PolarHBondContact O-N 3.26Å; K235-I238 PolarHBondContact O-N 3.08Å; K235-Y239 HydrophobicContact CD-CE2 4.49Å; K235-Y239 HydrophobicContact CG-CD2 3.73Å; K235-Y239 HydrophobicContact CG-CE2 3.72Å; K235-Y239 WeakPolarHBondContact O-CB 3.19Å; K235-Y239 WeakPolarHBondContact O-CD2 3.41Å; K235-Y239 PolarHBondContact O-N 2.7Å; K235-Y251 HydrophobicContact CB-CE1 4.07Å; K235-Y251 HydrophobicContact CD-CD1 3.88Å; K235-Y251 HydrophobicContact CD-CD2 4.2Å; K235-Y251 HydrophobicContact CD-CE1 3.7Å; K235-Y251 HydrophobicContact CD-CE2 3.98Å; K235-Y251 HydrophobicContact CD-CG 4.13Å; K235-Y251 HydrophobicContact CG-CD1 3.95Å; K235-Y251 HydrophobicContact CG-CE1 3.52Å; K235-T291 WeakPolarHBondContact CB-OG1 3.46Å; K235-T291 WeakPolarHBondContact CG-OG1 3.44Å; K235-T291 PolarHBondContact N-O 3.12Å; K235-T291 VanDerWaalsContact N-O 3.15Å; K235-S292 WeakPolarHBondContact CD-OG 3.25Å; K235-E344 IonicContact NZ-OE1 3.04Å; K235-E344 PolarHBondContact NZ-OE1 3.04Å; K235-E344 IonicContact NZ-OE2 3.01Å
236D97.4Very high95.9Very high5 Ų548 Ų483%0.02723%0.23CC..Hα-helixtrans-62.3-39.2175.9-61.5-56.3000111.1T233 K240 A241 K250 Y251T233-D236 WeakPolarHBondContact CB-OD2 3.19Å; T233-D236 PolarHBondContact N-OD2 3.21Å; T233-D236 WeakPolarHBondContact O-CA 3.13Å; T233-D236 WeakPolarHBondContact O-CB 3.2Å; T233-D236 PolarHBondContact O-N 3.48Å; T233-D236 PolarHBondContact OG1-N 3.48Å; T233-D236 PolarHBondContact OG1-OD2 3.43Å; D236-K240 CarbonylContact O-C 3.55Å; D236-K240 WeakPolarHBondContact O-CA 3.25Å; D236-K240 PolarHBondContact O-N 2.99Å; D236-A241 HydrophobicContact CB-CB 4.43Å; D236-A241 PolarHBondContact O-N 2.91Å; D236-K250 IonicContact OD1-NZ 2.76Å; D236-K250 PolarHBondContact OD1-NZ 3.25Å; D236-K250 VanDerWaalsContact OD1-NZ 3.15Å; D236-Y251 PolarHBondContact OD1-OH 3.41Å
237L96.9Very high95.9Very high50 Ų5047.8 Ų47.826%0.26223%0.23SC..Hα-helixtrans-62.1-47.6174.5175.365.6000112.7T233 L234 K235 Y239 K240 L260 L296T233-L237 PolarHBondContact O-N 3.13Å; T233-L237 VanDerWaalsContact O-N 3.09Å; L234-L237 HydrophobicContact CD1-CD2 4.47Å; L234-L237 PolarHBondContact O-N 3.33Å; K235-L237 VanDerWaalsContact C-N 3.29Å; K235-L237 PolarHBondContact O-N 3.26Å; L237-Y239 VanDerWaalsContact C-N 3.33Å; L237-Y239 PolarHBondContact O-N 3.44Å; L237-K240 WeakPolarHBondContact O-CD 3.21Å; L237-K240 PolarHBondContact O-N 3.12Å; L237-L260 HydrophobicContact CD2-CD2 3.78Å; L237-L260 HydrophobicContact CG-CD2 4.26Å; L237-L296 HydrophobicContact CB-CD1 3.5Å; L237-L296 HydrophobicContact CD2-CD1 3.58Å; L237-L296 HydrophobicContact CG-CD1 4.08Å
238I97.9Very high96Very high0 Ų045.2 Ų45.20%022%0.218CC..Hα-helixtrans-63.3-40.7-178.4-70.2165.8000111L234 K235 I257 Q258 L260 T291 E344 M345 G348L234-I238 HydrophobicContact CG-CD1 4.21Å; L234-I238 WeakPolarHBondContact O-CG1 3.46Å; L234-I238 PolarHBondContact O-N 3.41Å; L234-I238 VanDerWaalsContact O-N 3.09Å; K235-I238 PolarHBondContact O-N 3.08Å; I238-I257 WeakPolarHBondContact O-CA 3.36Å; I238-Q258 PolarHBondContact O-N 3.4Å; I238-L260 HydrophobicContact CG1-CD2 4.11Å; I238-L260 HydrophobicContact CG1-CG 4.39Å; I238-T291 HydrophobicContact CD1-CG2 4.09Å; I238-E344 HydrophobicContact CD1-CG 4.27Å; I238-M345 HydrophobicContact CD1-CG 4.46Å; I238-G348 WeakPolarHBondContact CG2-O 3.47Å
239Y97.4Very high96Very high20 Ų2048.3 Ų48.38%0.07823%0.231CC..THydrogen-bonded Turntrans-94.15.4-175.8-70.7-112.5000113.2K235 L237 A241 Y251 P254 K256 I257 E344 P350K235-Y239 HydrophobicContact CD-CE2 4.49Å; K235-Y239 HydrophobicContact CG-CD2 3.73Å; K235-Y239 HydrophobicContact CG-CE2 3.72Å; K235-Y239 WeakPolarHBondContact O-CB 3.19Å; K235-Y239 WeakPolarHBondContact O-CD2 3.41Å; K235-Y239 PolarHBondContact O-N 2.7Å; L237-Y239 VanDerWaalsContact C-N 3.33Å; L237-Y239 PolarHBondContact O-N 3.44Å; Y239-A241 PolarHBondContact O-N 3.22Å; Y239-A241 VanDerWaalsContact O-N 3.15Å; Y239-Y251 AromaticContact CD1-CD1 3.68Å; Y239-Y251 HydrophobicContact CD1-CD1 3.68Å; Y239-Y251 HydrophobicContact CD2-CD1 4.05Å; Y239-Y251 HydrophobicContact CD2-CE1 4.27Å; Y239-Y251 HydrophobicContact CE1-CD1 4.18Å; Y239-Y251 AromaticContact CG-CD1 3.62Å; Y239-Y251 HydrophobicContact CG-CD1 3.62Å; Y239-Y251 HydrophobicContact CG-CE1 4.04Å; Y239-P254 HydrophobicContact CD1-CB 3.69Å; Y239-P254 HydrophobicContact CD1-CG 3.58Å; Y239-P254 HydrophobicContact CE1-CB 4.46Å; Y239-P254 HydrophobicContact CE1-CG 3.86Å; Y239-K256 CarbonylContact C-O 3.43Å; Y239-K256 VanDerWaalsContact O-O 3.14Å; Y239-I257 HydrophobicContact CD1-CG2 4.07Å; Y239-I257 HydrophobicContact CE1-CG2 4.34Å; Y239-I257 HydrophobicContact CG-CG2 4.47Å; Y239-E344 HydrophobicContact CE2-CG 4.47Å; Y239-E344 WeakPolarHBondContact CE2-OE1 3.29Å; Y239-E344 PolarHBondContact OH-OE1 3.17Å; Y239-P350 VanDerWaalsContact OH-CD 3.32Å; Y239-P350 WeakPolarHBondContact OH-CD 3.46Å
240K96.4Very high96.1Very high100 Ų10048 Ų4844%0.43523%0.229SC..THydrogen-bonded Turntrans49.140.2-176-51.2-59.9176-168.80112.3D236 L237 K256D236-K240 CarbonylContact O-C 3.55Å; D236-K240 WeakPolarHBondContact O-CA 3.25Å; D236-K240 PolarHBondContact O-N 2.99Å; L237-K240 WeakPolarHBondContact O-CD 3.21Å; L237-K240 PolarHBondContact O-N 3.12Å; K240-K256 HydrophobicContact CB-CB 4.39Å; K240-K256 HydrophobicContact CG-CB 4.14Å
241A95.9Very high96.2Very high22 Ų2240.9 Ų40.918%0.18220%0.195CC..  trans-95.4154.3-172.500000112D236 Y239 K250 Y251D236-A241 HydrophobicContact CB-CB 4.43Å; D236-A241 PolarHBondContact O-N 2.91Å; Y239-A241 PolarHBondContact O-N 3.22Å; Y239-A241 VanDerWaalsContact O-N 3.15Å; A241-K250 HydrophobicContact CB-CB 3.9Å; A241-K250 HydrophobicContact CB-CD 3.92Å; A241-K250 HydrophobicContact CB-CG 3.87Å; A241-Y251 HydrophobicContact CB-CE1 4.41Å
242K95.3Very high96.4Very high147 Ų14735.4 Ų35.464%0.63917%0.173SC*.  trans-86.4129.7173.5-65.9-177.2179.7-176.40109.4K244 D245 K250K242-K244 VanDerWaalsContact C-N 3.27Å; K242-K244 PolarHBondContact O-N 2.96Å; K242-K244 VanDerWaalsContact O-N 3.12Å; K242-D245 HydrophobicContact CB-CB 4.38Å; K242-D245 WeakPolarHBondContact O-CB 3.37Å; K242-D245 PolarHBondContact O-N 2.88Å; K242-K250 VanDerWaalsContact O-CD 3.31Å; K242-K250 WeakPolarHBondContact O-CD 3.44Å
243P94Very high96.4Very high28 Ų2839.5 Ų39.518%0.18220%0.195CC..THydrogen-bonded Turntrans-60.1-33.4-169.8-28.737.5000114.8E230 G232 K250E230-P243 WeakPolarHBondContact O-CG 3.27Å; G232-P243 VanDerWaalsContact CA-CG 3.49Å; P243-K250 PolarHBondContact O-NZ 2.86Å
244K95.4Very high96.2Very high87 Ų8740.4 Ų40.438%0.37820%0.201SC..THydrogen-bonded Turntrans-79.9-11.1179.1-65.3-170.7173.7-166.70114.6E150 L152 I155 L165 F228 K242E150-K244 IonicContact OE1-NZ 3.01Å; E150-K244 PolarHBondContact OE1-NZ 3.36Å; L152-K244 HydrophobicContact CD2-CD 4.22Å; L152-K244 HydrophobicContact CD2-CG 4.13Å; I155-K244 WeakPolarHBondContact CG2-O 3.37Å; L165-K244 VanDerWaalsContact CD2-NZ 3.34Å; F228-K244 HydrophobicContact CE2-CG 4.35Å; F228-K244 HydrophobicContact CZ-CD 4.3Å; F228-K244 HydrophobicContact CZ-CG 3.9Å; K242-K244 VanDerWaalsContact C-N 3.27Å; K242-K244 PolarHBondContact O-N 2.96Å; K242-K244 VanDerWaalsContact O-N 3.12Å
245D95.9Very high95.8Very high42 Ų4250.5 Ų50.523%0.22525%0.245CC..SBendtrans-70.3149.2179.8-83.47.1000110.8K242 K249 K250K242-D245 HydrophobicContact CB-CB 4.38Å; K242-D245 WeakPolarHBondContact O-CB 3.37Å; K242-D245 PolarHBondContact O-N 2.88Å; D245-K249 HydrophobicContact CB-CD 4.35Å; D245-K249 IonicContact OD1-NZ 3.31Å; D245-K249 WeakPolarHBondContact OD2-CE 3.47Å; D245-K249 IonicContact OD2-NZ 3.24Å; D245-K249 PolarHBondContact OD2-NZ 2.79Å; D245-K250 HydrophobicContact CB-CD 4.1Å; D245-K250 HydrophobicContact CB-CG 3.8Å; D245-K250 VanDerWaalsContact O-CD 3.28Å; D245-K250 WeakPolarHBondContact O-CD 3.24Å; D245-K250 WeakPolarHBondContact O-CE 3.29Å
246P96.4Very high95.7Very high37 Ų3757.7 Ų57.724%0.2428%0.276CS..  trans-59.5141.2177.7-27.737.7000113.1I68 D154 L248 K249 K250I68-P246 HydrophobicContact CD1-CB 3.86Å; I68-P246 HydrophobicContact CD1-CG 3.86Å; D154-P246 HydrophobicContact CB-CB 4.48Å; D154-P246 CarbonylContact O-C 3.42Å; D154-P246 WeakPolarHBondContact O-CA 3.42Å; P246-L248 VanDerWaalsContact C-N 3.31Å; P246-L248 PolarHBondContact O-N 3.2Å; P246-K249 WeakPolarHBondContact O-CA 3.48Å; P246-K249 VanDerWaalsContact O-CB 3.3Å; P246-K249 WeakPolarHBondContact O-CB 3.32Å; P246-K249 PolarHBondContact O-N 2.97Å; P246-K250 WeakPolarHBondContact O-CG 3.24Å; P246-K250 PolarHBondContact O-N 3.17Å; P246-K250 VanDerWaalsContact O-N 3.09Å
247F97.1Very high95.6Very high12 Ų1261.4 Ų61.45%0.05330%0.295CS..Hα-helixtrans-52.3-44.4-174.4-173.2-85.9000113I108 D154 W157 K249 K250 Y251I108-F247 HydrophobicContact CD1-CE1 4.48Å; I108-F247 HydrophobicContact CG1-CE1 4.35Å; I108-F247 HydrophobicContact CG2-CD1 4.02Å; I108-F247 HydrophobicContact CG2-CE1 3.73Å; D154-F247 VanDerWaalsContact O-CB 3.31Å; D154-F247 WeakPolarHBondContact O-CB 3.46Å; D154-F247 PolarHBondContact O-N 2.89Å; W157-F247 HydrophobicContact CB-CD1 4.06Å; W157-F247 HydrophobicContact CB-CD2 4.02Å; W157-F247 HydrophobicContact CB-CE1 3.78Å; W157-F247 HydrophobicContact CB-CE2 3.73Å; W157-F247 HydrophobicContact CB-CG 4.19Å; W157-F247 HydrophobicContact CB-CZ 3.62Å; W157-F247 HydrophobicContact CG-CE2 4.4Å; W157-F247 HydrophobicContact CG-CZ 4.4Å; F247-K249 VanDerWaalsContact C-N 3.32Å; F247-K249 PolarHBondContact O-N 3.03Å; F247-K250 PolarHBondContact O-N 2.82Å; F247-K250 VanDerWaalsContact O-N 3.17Å; F247-Y251 HydrophobicContact CD1-CD2 4.05Å; F247-Y251 AromaticContact CD2-CD2 3.44Å; F247-Y251 HydrophobicContact CD2-CD2 3.44Å; F247-Y251 VanDerWaalsContact CD2-CD2 3.44Å; F247-Y251 AromaticContact CD2-CE2 3.41Å; F247-Y251 HydrophobicContact CD2-CE2 3.41Å; F247-Y251 VanDerWaalsContact CD2-CE2 3.41Å; F247-Y251 AromaticContact CE1-CD2 3.9Å; F247-Y251 HydrophobicContact CE1-CD2 3.9Å; F247-Y251 AromaticContact CE2-CD2 3.28Å; F247-Y251 HydrophobicContact CE2-CD2 3.28Å; F247-Y251 AromaticContact CE2-CE2 3.37Å; F247-Y251 HydrophobicContact CE2-CE2 3.37Å; F247-Y251 HydrophobicContact CE2-CG 4.48Å; F247-Y251 AromaticContact CG-CD2 3.81Å; F247-Y251 HydrophobicContact CG-CD2 3.81Å; F247-Y251 HydrophobicContact CG-CE2 4.16Å; F247-Y251 AromaticContact CZ-CD2 3.52Å; F247-Y251 HydrophobicContact CZ-CD2 3.52Å; F247-Y251 HydrophobicContact CZ-CE2 4.09Å; F247-Y251 HydrophobicContact CZ-CG 4.42Å; F247-Y251 WeakPolarHBondContact O-CD2 3.48Å; F247-Y251 PolarHBondContact O-N 2.95Å; F247-Y251 VanDerWaalsContact O-N 3.07Å
248L96.9Very high95.6Very high22 Ų2264.4 Ų64.412%0.11531%0.308CS..Hα-helixtrans-59.8-43.3178-61.8-175.2000111.7L66 I68 A69 I108 C112 L114 P246 K250 C252L66-L248 HydrophobicContact CD2-CD1 4.47Å; I68-L248 HydrophobicContact CG2-CB 4.1Å; I68-L248 HydrophobicContact CG2-CD1 4.04Å; A69-L248 HydrophobicContact CB-CB 4.4Å; I108-L248 HydrophobicContact CG2-CD2 3.56Å; C112-L248 HydrophobicContact CB-CD1 4.3Å; C112-L248 HydrophobicContact CB-CD2 3.88Å; L114-L248 HydrophobicContact CD1-CD1 4.38Å; P246-L248 VanDerWaalsContact C-N 3.31Å; P246-L248 PolarHBondContact O-N 3.2Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 3.22Å; L248-C252 WeakPolarHBondContact O-CB 3.28Å; L248-C252 PolarHBondContact O-N 2.87Å; L248-C252 PolarHBondContact O-SG 3.05Å
249K96.3Very high95.5Very high107 Ų10765.5 Ų65.547%0.46532%0.319SS..Hα-helixtrans-64.1-37.6177.3-169.5-174174.1-158.80112I68 D245 P246 F247I68-K249 HydrophobicContact CD1-CB 4.47Å; I68-K249 HydrophobicContact CG1-CB 3.91Å; I68-K249 HydrophobicContact CG1-CG 4.49Å; I68-K249 VanDerWaalsContact O-CA 3.32Å; I68-K249 WeakPolarHBondContact O-CA 3.44Å; D245-K249 HydrophobicContact CB-CD 4.35Å; D245-K249 IonicContact OD1-NZ 3.31Å; D245-K249 WeakPolarHBondContact OD2-CE 3.47Å; D245-K249 IonicContact OD2-NZ 3.24Å; D245-K249 PolarHBondContact OD2-NZ 2.79Å; P246-K249 WeakPolarHBondContact O-CA 3.48Å; P246-K249 VanDerWaalsContact O-CB 3.3Å; P246-K249 WeakPolarHBondContact O-CB 3.32Å; P246-K249 PolarHBondContact O-N 2.97Å; F247-K249 VanDerWaalsContact C-N 3.32Å; F247-K249 PolarHBondContact O-N 3.03Å
250K95.7Very high95.5Very high13 Ų1365.3 Ų65.36%0.05732%0.32CS..Hα-helixtrans-71.8-40.6-176.3-64.5-168.8-62.9177.40112.6I155 D236 A241 K242 P243 D245 P246 F247 L248I155-K250 PolarHBondContact O-NZ 3.2Å; D236-K250 IonicContact OD1-NZ 2.76Å; D236-K250 PolarHBondContact OD1-NZ 3.25Å; D236-K250 VanDerWaalsContact OD1-NZ 3.15Å; A241-K250 HydrophobicContact CB-CB 3.9Å; A241-K250 HydrophobicContact CB-CD 3.92Å; A241-K250 HydrophobicContact CB-CG 3.87Å; K242-K250 VanDerWaalsContact O-CD 3.31Å; K242-K250 WeakPolarHBondContact O-CD 3.44Å; P243-K250 PolarHBondContact O-NZ 2.86Å; D245-K250 HydrophobicContact CB-CD 4.1Å; D245-K250 HydrophobicContact CB-CG 3.8Å; D245-K250 VanDerWaalsContact O-CD 3.28Å; D245-K250 WeakPolarHBondContact O-CD 3.24Å; D245-K250 WeakPolarHBondContact O-CE 3.29Å; P246-K250 WeakPolarHBondContact O-CG 3.24Å; P246-K250 PolarHBondContact O-N 3.17Å; P246-K250 VanDerWaalsContact O-N 3.09Å; F247-K250 PolarHBondContact O-N 2.82Å; F247-K250 VanDerWaalsContact O-N 3.17Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 3.22Å
251Y96Very high95.6Very high9 Ų967.5 Ų67.54%0.03533%0.331CS..Hα-helixtrans-128.5-10.1-161.9-48.5-57000115.9I108 K235 D236 Y239 A241 F247I108-Y251 VanDerWaalsContact CD1-O 3.26Å; I108-Y251 WeakPolarHBondContact CD1-O 3.33Å; K235-Y251 HydrophobicContact CB-CE1 4.07Å; K235-Y251 HydrophobicContact CD-CD1 3.88Å; K235-Y251 HydrophobicContact CD-CD2 4.2Å; K235-Y251 HydrophobicContact CD-CE1 3.7Å; K235-Y251 HydrophobicContact CD-CE2 3.98Å; K235-Y251 HydrophobicContact CD-CG 4.13Å; K235-Y251 HydrophobicContact CG-CD1 3.95Å; K235-Y251 HydrophobicContact CG-CE1 3.52Å; D236-Y251 PolarHBondContact OD1-OH 3.41Å; Y239-Y251 AromaticContact CD1-CD1 3.68Å; Y239-Y251 HydrophobicContact CD1-CD1 3.68Å; Y239-Y251 HydrophobicContact CD2-CD1 4.05Å; Y239-Y251 HydrophobicContact CD2-CE1 4.27Å; Y239-Y251 HydrophobicContact CE1-CD1 4.18Å; Y239-Y251 AromaticContact CG-CD1 3.62Å; Y239-Y251 HydrophobicContact CG-CD1 3.62Å; Y239-Y251 HydrophobicContact CG-CE1 4.04Å; A241-Y251 HydrophobicContact CB-CE1 4.41Å; F247-Y251 HydrophobicContact CD1-CD2 4.05Å; F247-Y251 AromaticContact CD2-CD2 3.44Å; F247-Y251 HydrophobicContact CD2-CD2 3.44Å; F247-Y251 VanDerWaalsContact CD2-CD2 3.44Å; F247-Y251 AromaticContact CD2-CE2 3.41Å; F247-Y251 HydrophobicContact CD2-CE2 3.41Å; F247-Y251 VanDerWaalsContact CD2-CE2 3.41Å; F247-Y251 AromaticContact CE1-CD2 3.9Å; F247-Y251 HydrophobicContact CE1-CD2 3.9Å; F247-Y251 AromaticContact CE2-CD2 3.28Å; F247-Y251 HydrophobicContact CE2-CD2 3.28Å; F247-Y251 AromaticContact CE2-CE2 3.37Å; F247-Y251 HydrophobicContact CE2-CE2 3.37Å; F247-Y251 HydrophobicContact CE2-CG 4.48Å; F247-Y251 AromaticContact CG-CD2 3.81Å; F247-Y251 HydrophobicContact CG-CD2 3.81Å; F247-Y251 HydrophobicContact CG-CE2 4.16Å; F247-Y251 AromaticContact CZ-CD2 3.52Å; F247-Y251 HydrophobicContact CZ-CD2 3.52Å; F247-Y251 HydrophobicContact CZ-CE2 4.09Å; F247-Y251 HydrophobicContact CZ-CG 4.42Å; F247-Y251 WeakPolarHBondContact O-CD2 3.48Å; F247-Y251 PolarHBondContact O-N 2.95Å; F247-Y251 VanDerWaalsContact O-N 3.07Å
252C95Very high95.7Very high16 Ų1669.3 Ų69.311%0.10834%0.337CS..SBendtrans-72.3-46.2177.4-75.70000113.1A69 L71 I108 L248A69-C252 HydrophobicContact CB-CB 3.64Å; A69-C252 VanDerWaalsContact O-CB 3.29Å; A69-C252 WeakPolarHBondContact O-CB 3.47Å; L71-C252 HydrophobicContact CD1-CB 4.14Å; L71-C252 HydrophobicContact CG-CB 4.41Å; I108-C252 WeakPolarHBondContact CG2-SG 3.36Å; L248-C252 WeakPolarHBondContact O-CB 3.28Å; L248-C252 PolarHBondContact O-N 2.87Å; L248-C252 PolarHBondContact O-SG 3.05Å
253N94.8Very high95.7Very high89 Ų8968 Ų6848%0.47633%0.334SS..SBendtrans-14371.6179.1-168.920.7000110.9A69 G70 L71A69-N253 WeakPolarHBondContact O-CB 3.5Å; A69-N253 PolarHBondContact O-N 3.49Å; G70-N253 PolarHBondContact O-ND2 2.84Å; L71-N253 HydrophobicContact CD2-CB 3.9Å; L71-N253 HydrophobicContact CG-CB 4.28Å
254P93.2Very high95.9Very high36 Ų3669.4 Ų69.423%0.23434%0.338CS..  trans-66.3135.8-177.629.8-37.3000111.8Y239 K256 I257Y239-P254 HydrophobicContact CD1-CB 3.69Å; Y239-P254 HydrophobicContact CD1-CG 3.58Å; Y239-P254 HydrophobicContact CE1-CB 4.46Å; Y239-P254 HydrophobicContact CE1-CG 3.86Å; P254-K256 VanDerWaalsContact C-N 3.33Å; P254-I257 HydrophobicContact CB-CG2 3.8Å; P254-I257 HydrophobicContact CG-CG2 3.42Å; P254-I257 VanDerWaalsContact CG-CG2 3.42Å
255K90.8Very high96Very high212 Ų21265.2 Ų65.292%0.92232%0.32SS*.SBendtrans-71.8-27.9176.7-64.5-173.8178.7-174.50113.3
256K94.1Very high96.1Very high158 Ų15864.7 Ų64.769%0.68732%0.315SS*.  trans-138.6133-179.6-65.8-173.6179.1-174.90108.3Y239 K240 P254Y239-K256 CarbonylContact C-O 3.43Å; Y239-K256 VanDerWaalsContact O-O 3.14Å; K240-K256 HydrophobicContact CB-CB 4.39Å; K240-K256 HydrophobicContact CG-CB 4.14Å; P254-K256 VanDerWaalsContact C-N 3.33Å
257I95.9Very high96.2Very high83 Ų8364.3 Ų64.343%0.42631%0.313SS..  trans-132.2143.5171.557.1172.8000108I238 Y239 P254 R349I238-I257 WeakPolarHBondContact O-CA 3.36Å; Y239-I257 HydrophobicContact CD1-CG2 4.07Å; Y239-I257 HydrophobicContact CE1-CG2 4.34Å; Y239-I257 HydrophobicContact CG-CG2 4.47Å; P254-I257 HydrophobicContact CB-CG2 3.8Å; P254-I257 HydrophobicContact CG-CG2 3.42Å; P254-I257 VanDerWaalsContact CG-CG2 3.42Å; I257-R349 HydrophobicContact CD1-CB 4.4Å
258Q96.4Very high96.2Very high112 Ų11264.1 Ų64.152%0.52331%0.311SS..  trans-147.9122.3178.3-160.4-177.811.400109.8I238I238-Q258 PolarHBondContact O-N 3.4Å
259G96.9Very high96.3Very high24 Ų2463.1 Ų63.125%0.24731%0.306CS..PPolyproline II helixtrans-62166.5165.200000111.3M345G259-M345 CarbonylContact C-O 3.58Å; G259-M345 WeakPolarHBondContact CA-O 3.43Å
260L97.7Very high96.4Very high16 Ų1660.1 Ų60.18%0.08429%0.292CS..PPolyproline II helixtrans-91.1159-177.7-54.3-179.8000111.1L234 L237 I238 Q264 I265 Y268 M345L234-L260 HydrophobicContact CD1-CD1 3.76Å; L237-L260 HydrophobicContact CD2-CD2 3.78Å; L237-L260 HydrophobicContact CG-CD2 4.26Å; I238-L260 HydrophobicContact CG1-CD2 4.11Å; I238-L260 HydrophobicContact CG1-CG 4.39Å; L260-Q264 HydrophobicContact CB-CB 4.09Å; L260-I265 HydrophobicContact CB-CG1 3.94Å; L260-I265 WeakPolarHBondContact O-CD1 3.19Å; L260-Y268 HydrophobicContact CD1-CD2 3.92Å; L260-Y268 HydrophobicContact CD1-CE2 4.2Å; L260-M345 HydrophobicContact CD1-CB 3.87Å; L260-M345 HydrophobicContact CD1-CG 3.76Å; L260-M345 HydrophobicContact CD1-SD 4.01Å; L260-M345 HydrophobicContact CG-CB 4.38Å; L260-M345 PolarHBondContact N-O 2.9Å
261E97.3Very high96.5Very high146 Ų14659.9 Ų59.968%0.68229%0.291SS*.PPolyproline II helixtrans-70.3153.9172.3-64.9179.2-178.200111Q263 Q264 I265E261-Q263 PolarHBondContact O-N 3.24Å; E261-Q263 VanDerWaalsContact O-N 3.15Å; E261-Q264 WeakPolarHBondContact O-CB 3.34Å; E261-Q264 PolarHBondContact O-N 3.06Å; E261-I265 WeakPolarHBondContact O-CG1 3.46Å; E261-I265 PolarHBondContact O-N 3.32Å
262L97.7Very high96.6Very high59 Ų5959.6 Ų59.631%0.30929%0.29SS..Hα-helixtrans-53.5-41.7-176.5-179.160.3000112.5Q264 I265 K266 P363 V367 L395L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 3.36Å; L262-I265 WeakPolarHBondContact O-CB 3.32Å; L262-I265 PolarHBondContact O-N 3.19Å; L262-K266 HydrophobicContact CD1-CG 4.32Å; L262-K266 HydrophobicContact CG-CD 4.34Å; L262-K266 WeakPolarHBondContact O-CG 3.47Å; L262-K266 PolarHBondContact O-N 3.1Å; L262-P363 HydrophobicContact CB-CB 4.27Å; L262-P363 HydrophobicContact CD1-CG 4.34Å; L262-V367 HydrophobicContact CD1-CG2 3.94Å; L262-L395 HydrophobicContact CD1-CD1 4.35Å
263Q96.9Very high96.8Very high120 Ų12058.8 Ų58.856%0.56129%0.285SS*.Hα-helixtrans-65.5-38.1179.9-171.160.315.500112.3E261 K266 T267E261-Q263 PolarHBondContact O-N 3.24Å; E261-Q263 VanDerWaalsContact O-N 3.15Å; Q263-K266 PolarHBondContact O-N 2.88Å; Q263-T267 WeakPolarHBondContact O-CB 3.05Å; Q263-T267 PolarHBondContact O-N 2.86Å; Q263-T267 PolarHBondContact O-OG1 2.95Å; Q263-T267 VanDerWaalsContact O-OG1 3.08Å
264Q97.1Very high97Very high57 Ų5757 Ų5727%0.26627%0.273SS..Hα-helixtrans-66.5-42.1174.3-65.2179.5-54.300111.1L260 E261 L262 K266 T267 Y268L260-Q264 HydrophobicContact CB-CB 4.09Å; E261-Q264 WeakPolarHBondContact O-CB 3.34Å; E261-Q264 PolarHBondContact O-N 3.06Å; L262-Q264 VanDerWaalsContact C-N 3.34Å; L262-Q264 PolarHBondContact O-N 3.36Å; Q264-K266 VanDerWaalsContact C-N 3.35Å; Q264-K266 PolarHBondContact O-N 2.92Å; Q264-T267 PolarHBondContact O-N 3.39Å; Q264-Y268 HydrophobicContact CB-CD2 4.21Å; Q264-Y268 HydrophobicContact CB-CE2 3.92Å; Q264-Y268 HydrophobicContact CG-CE2 4.37Å; Q264-Y268 VanDerWaalsContact O-CB 3.28Å; Q264-Y268 WeakPolarHBondContact O-CB 3.34Å; Q264-Y268 WeakPolarHBondContact O-CD2 3.46Å; Q264-Y268 VanDerWaalsContact O-CG 3.24Å; Q264-Y268 PolarHBondContact O-N 2.92Å
265I98.3Very high97.2Very high0 Ų055.3 Ų55.30%026%0.263CS..Hα-helixtrans-57.6-48.5175.8-66170.8000110.5L260 E261 L262 G269 L342 M345 P363 V367L260-I265 HydrophobicContact CB-CG1 3.94Å; L260-I265 WeakPolarHBondContact O-CD1 3.19Å; E261-I265 WeakPolarHBondContact O-CG1 3.46Å; E261-I265 PolarHBondContact O-N 3.32Å; L262-I265 WeakPolarHBondContact O-CB 3.32Å; L262-I265 PolarHBondContact O-N 3.19Å; I265-G269 WeakPolarHBondContact O-CA 3.49Å; I265-G269 PolarHBondContact O-N 3.42Å; I265-L342 HydrophobicContact CG2-CD1 3.5Å; I265-L342 VanDerWaalsContact CG2-CD1 3.5Å; I265-M345 HydrophobicContact CG1-CB 4.42Å; I265-M345 HydrophobicContact CG2-CE 4.45Å; I265-P363 HydrophobicContact CD1-CG 4.06Å; I265-V367 HydrophobicContact CG2-CG2 4.21Å
266K98.1Very high97.6Very high31 Ų3145.2 Ų45.214%0.13522%0.219CC..Hα-helixtrans-61.2-53.2178.4-70.9-174.873.1179.40111.4L262 Q263 Q264 R270 L395 D398 V399L262-K266 HydrophobicContact CD1-CG 4.32Å; L262-K266 HydrophobicContact CG-CD 4.34Å; L262-K266 WeakPolarHBondContact O-CG 3.47Å; L262-K266 PolarHBondContact O-N 3.1Å; Q263-K266 PolarHBondContact O-N 2.88Å; Q264-K266 VanDerWaalsContact C-N 3.35Å; Q264-K266 PolarHBondContact O-N 2.92Å; K266-R270 WeakPolarHBondContact O-CB 3.49Å; K266-R270 PolarHBondContact O-N 3.39Å; K266-L395 WeakPolarHBondContact CE-O 3.39Å; K266-L395 HydrophobicContact CG-CD1 3.76Å; K266-L395 HydrophobicContact CG-CG 4.41Å; K266-L395 WeakPolarHBondContact CG-O 3.15Å; K266-D398 WeakPolarHBondContact CE-OD1 3.32Å; K266-D398 IonicContact NZ-OD1 3.7Å; K266-D398 PolarHBondContact NZ-OD1 3.22Å; K266-D398 IonicContact NZ-OD2 2.86Å; K266-D398 PolarHBondContact NZ-OD2 3.14Å; K266-V399 HydrophobicContact CB-CG2 3.79Å
267T97.6Very high97.8Very high29 Ų2940.4 Ų40.418%0.17820%0.198CC..Hα-helixtrans-63.7-52-177.1-63.10000112Q263 Q264 R270 Q271Q263-T267 WeakPolarHBondContact O-CB 3.05Å; Q263-T267 PolarHBondContact O-N 2.86Å; Q263-T267 PolarHBondContact O-OG1 2.95Å; Q263-T267 VanDerWaalsContact O-OG1 3.08Å; Q264-T267 PolarHBondContact O-N 3.39Å; T267-R270 PolarHBondContact O-N 3.47Å; T267-Q271 HydrophobicContact CG2-CG 4.49Å; T267-Q271 VanDerWaalsContact O-CG 3.28Å; T267-Q271 WeakPolarHBondContact O-CG 2.87Å; T267-Q271 PolarHBondContact O-N 3.07Å
268Y98.3Very high97.9Very high8 Ų837.4 Ų37.43%0.03118%0.182CC..Hα-helixtrans-68.1-40.7-177.8-60.3-19.5000111.6L234 L260 Q264 R270 Q271 I272 L296 D299 C301L234-Y268 HydrophobicContact CD1-CD2 3.97Å; L234-Y268 HydrophobicContact CD1-CE2 4.18Å; L260-Y268 HydrophobicContact CD1-CD2 3.92Å; L260-Y268 HydrophobicContact CD1-CE2 4.2Å; Q264-Y268 HydrophobicContact CB-CD2 4.21Å; Q264-Y268 HydrophobicContact CB-CE2 3.92Å; Q264-Y268 HydrophobicContact CG-CE2 4.37Å; Q264-Y268 VanDerWaalsContact O-CB 3.28Å; Q264-Y268 WeakPolarHBondContact O-CB 3.34Å; Q264-Y268 WeakPolarHBondContact O-CD2 3.46Å; Q264-Y268 VanDerWaalsContact O-CG 3.24Å; Q264-Y268 PolarHBondContact O-N 2.92Å; Y268-R270 VanDerWaalsContact C-N 3.33Å; Y268-R270 PolarHBondContact O-N 3.34Å; Y268-Q271 PolarHBondContact O-N 3.38Å; Y268-I272 WeakPolarHBondContact O-CB 3.41Å; Y268-I272 WeakPolarHBondContact O-CD1 3.26Å; Y268-I272 VanDerWaalsContact O-CG1 3.25Å; Y268-I272 WeakPolarHBondContact O-CG1 3.49Å; Y268-I272 PolarHBondContact O-N 2.83Å; Y268-L296 HydrophobicContact CE2-CD2 4.22Å; Y268-D299 WeakPolarHBondContact CE1-O 3.21Å; Y268-C301 HydrophobicContact CD1-CB 3.86Å; Y268-C301 HydrophobicContact CE1-CB 4.42Å; Y268-C301 HydrophobicContact CG-CB 4.08Å
269G98.4Very high98Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-58.8-44.7174.700000111.9I265 I272 L273I265-G269 WeakPolarHBondContact O-CA 3.49Å; I265-G269 PolarHBondContact O-N 3.42Å; G269-I272 PolarHBondContact O-N 3.48Å; G269-L273 WeakPolarHBondContact O-CB 3.46Å; G269-L273 VanDerWaalsContact O-CG 3.27Å; G269-L273 WeakPolarHBondContact O-CG 3.42Å; G269-L273 PolarHBondContact O-N 3.34Å
270R98.1Very high98.1Very high45 Ų4532.7 Ų32.717%0.1715%0.153CC..Hα-helixtrans-60.8-50.8174.9-177.570.1-171.4-138.97111.9K266 T267 Y268 I272 L273 E274 L391 F396 V399 L401K266-R270 WeakPolarHBondContact O-CB 3.49Å; K266-R270 PolarHBondContact O-N 3.39Å; T267-R270 PolarHBondContact O-N 3.47Å; Y268-R270 VanDerWaalsContact C-N 3.33Å; Y268-R270 PolarHBondContact O-N 3.34Å; R270-I272 VanDerWaalsContact C-N 3.32Å; R270-I272 PolarHBondContact O-N 3.33Å; R270-L273 PolarHBondContact O-N 3.1Å; R270-E274 IonicContact CZ-OE1 2.67Å; R270-E274 VanDerWaalsContact CZ-OE1 3.24Å; R270-E274 IonicContact NE-OE1 2.87Å; R270-E274 PolarHBondContact NE-OE1 3.28Å; R270-E274 IonicContact NH2-OE1 3.17Å; R270-E274 PolarHBondContact NH2-OE1 3.1Å; R270-E274 WeakPolarHBondContact O-CG 3.27Å; R270-E274 PolarHBondContact O-N 3.48Å; R270-L391 PolarHBondContact NH1-O 3.16Å; R270-F396 HydrophobicContact CB-CD1 4.26Å; R270-F396 WeakPolarHBondContact CD-O 3.25Å; R270-F396 PolarHBondContact NH1-O 3.08Å; R270-V399 HydrophobicContact CB-CB 4.03Å; R270-V399 HydrophobicContact CB-CG1 3.82Å; R270-V399 HydrophobicContact CB-CG2 4.44Å; R270-V399 HydrophobicContact CG-CB 3.98Å; R270-V399 HydrophobicContact CG-CG1 3.92Å; R270-L401 HydrophobicContact CG-CD1 3.68Å; R270-L401 HydrophobicContact CG-CD2 4.31Å; R270-L401 HydrophobicContact CG-CG 3.96Å
271Q97.9Very high98.1Very high7 Ų737.1 Ų37.13%0.03318%0.177CC..Hα-helixtrans-57.8-42.8-179.5-72.1173.2-11.200112.1Y208 T267 Y268 E274 V275 C301 L401Y208-Q271 HydrophobicContact CD1-CB 3.89Å; Y208-Q271 HydrophobicContact CD1-CG 3.66Å; Y208-Q271 HydrophobicContact CD2-CB 4.3Å; Y208-Q271 HydrophobicContact CD2-CG 4.35Å; Y208-Q271 HydrophobicContact CE1-CB 4.28Å; Y208-Q271 HydrophobicContact CE1-CG 3.55Å; Y208-Q271 HydrophobicContact CE2-CG 4.27Å; Y208-Q271 HydrophobicContact CG-CB 3.91Å; Y208-Q271 HydrophobicContact CG-CG 4.09Å; T267-Q271 HydrophobicContact CG2-CG 4.49Å; T267-Q271 VanDerWaalsContact O-CG 3.28Å; T267-Q271 WeakPolarHBondContact O-CG 2.87Å; T267-Q271 PolarHBondContact O-N 3.07Å; Y268-Q271 PolarHBondContact O-N 3.38Å; Q271-E274 PolarHBondContact O-N 3.48Å; Q271-V275 WeakPolarHBondContact O-CG2 3.36Å; Q271-V275 PolarHBondContact O-N 3.1Å; Q271-C301 PolarHBondContact OE1-SG 3.3Å; Q271-L401 HydrophobicContact CG-CD1 4.26Å; Q271-L401 HydrophobicContact CG-CD2 3.75Å
272I98.7Very high98Very high3 Ų333.7 Ų33.72%0.01516%0.16CC..Hα-helixtrans-64.1-46.7176.7-68.7163.5000110.8Y268 G269 R270 E274 V275 L276 L289 V294 F338 L341Y268-I272 WeakPolarHBondContact O-CB 3.41Å; Y268-I272 WeakPolarHBondContact O-CD1 3.26Å; Y268-I272 VanDerWaalsContact O-CG1 3.25Å; Y268-I272 WeakPolarHBondContact O-CG1 3.49Å; Y268-I272 PolarHBondContact O-N 2.83Å; G269-I272 PolarHBondContact O-N 3.48Å; R270-I272 VanDerWaalsContact C-N 3.32Å; R270-I272 PolarHBondContact O-N 3.33Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.46Å; I272-V275 WeakPolarHBondContact O-CB 3.31Å; I272-V275 PolarHBondContact O-N 2.89Å; I272-V275 VanDerWaalsContact O-N 3.13Å; I272-L276 HydrophobicContact CG2-CD1 4.31Å; I272-L276 HydrophobicContact CG2-CG 4.44Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.49Å; I272-L289 HydrophobicContact CG2-CD1 3.84Å; I272-L289 HydrophobicContact CG2-CD2 4.08Å; I272-V294 HydrophobicContact CD1-CG1 4.36Å; I272-V294 HydrophobicContact CD1-CG2 4.04Å; I272-V294 HydrophobicContact CG1-CG2 4.41Å; I272-F338 HydrophobicContact CB-CE2 4.43Å; I272-F338 HydrophobicContact CG2-CD2 4Å; I272-F338 HydrophobicContact CG2-CE2 4.2Å; I272-L341 HydrophobicContact CD1-CD1 4.01Å; I272-L341 HydrophobicContact CD1-CD2 3.71Å
273L98.8Very high98Very high0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-63-36.1180-71.1171.4000112.4G269 R270 V275 L276 K277 F338 V387 L390 L391 F396G269-L273 WeakPolarHBondContact O-CB 3.46Å; G269-L273 VanDerWaalsContact O-CG 3.27Å; G269-L273 WeakPolarHBondContact O-CG 3.42Å; G269-L273 PolarHBondContact O-N 3.34Å; R270-L273 PolarHBondContact O-N 3.1Å; L273-V275 VanDerWaalsContact C-N 3.31Å; L273-V275 PolarHBondContact O-N 3.03Å; L273-L276 HydrophobicContact CD2-CD1 4.36Å; L273-L276 PolarHBondContact O-N 3.5Å; L273-K277 WeakPolarHBondContact O-CB 3.41Å; L273-K277 PolarHBondContact O-N 2.87Å; L273-F338 HydrophobicContact CD1-CE1 4.09Å; L273-F338 HydrophobicContact CD1-CE2 4.21Å; L273-F338 HydrophobicContact CD1-CZ 3.66Å; L273-F338 HydrophobicContact CD2-CD1 4.06Å; L273-F338 HydrophobicContact CD2-CD2 3.92Å; L273-F338 HydrophobicContact CD2-CE1 3.96Å; L273-F338 HydrophobicContact CD2-CE2 3.82Å; L273-F338 HydrophobicContact CD2-CG 4.03Å; L273-F338 HydrophobicContact CD2-CZ 3.84Å; L273-F338 HydrophobicContact CG-CD2 4.23Å; L273-F338 HydrophobicContact CG-CE1 4.21Å; L273-F338 HydrophobicContact CG-CE2 3.66Å; L273-F338 HydrophobicContact CG-CZ 3.63Å; L273-V387 HydrophobicContact CB-CG1 4.19Å; L273-V387 HydrophobicContact CD2-CG1 3.99Å; L273-V387 VanDerWaalsContact O-CG1 3.23Å; L273-V387 WeakPolarHBondContact O-CG1 3.28Å; L273-L390 HydrophobicContact CD1-CB 3.91Å; L273-L390 HydrophobicContact CD2-CB 4.04Å; L273-L390 HydrophobicContact CD2-CD1 3.73Å; L273-L391 HydrophobicContact CB-CD2 3.47Å; L273-L391 VanDerWaalsContact CB-CD2 3.47Å; L273-L391 HydrophobicContact CB-CG 3.92Å; L273-L391 HydrophobicContact CD1-CD2 4.21Å; L273-L391 HydrophobicContact CD1-CG 4.47Å; L273-L391 HydrophobicContact CG-CD2 4.5Å; L273-F396 HydrophobicContact CD1-CD2 3.48Å; L273-F396 VanDerWaalsContact CD1-CD2 3.48Å; L273-F396 HydrophobicContact CD1-CE2 3.56Å; L273-F396 HydrophobicContact CD1-CG 3.99Å; L273-F396 HydrophobicContact CD1-CZ 4.15Å
274E98Very high98.1Very high51 Ų5127 Ų2724%0.23814%0.136CC..Hα-helixtrans-61-40.1173.4-68.3-63.6168.200111.8Y208 R270 Q271 I272 F278 L391 L401Y208-E274 HydrophobicContact CD2-CB 4.47Å; R270-E274 IonicContact CZ-OE1 2.67Å; R270-E274 VanDerWaalsContact CZ-OE1 3.24Å; R270-E274 IonicContact NE-OE1 2.87Å; R270-E274 PolarHBondContact NE-OE1 3.28Å; R270-E274 IonicContact NH2-OE1 3.17Å; R270-E274 PolarHBondContact NH2-OE1 3.1Å; R270-E274 WeakPolarHBondContact O-CG 3.27Å; R270-E274 PolarHBondContact O-N 3.48Å; Q271-E274 PolarHBondContact O-N 3.48Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.46Å; E274-F278 WeakPolarHBondContact O-CB 3.48Å; E274-F278 PolarHBondContact O-N 3.01Å; E274-L391 HydrophobicContact CG-CD2 4.43Å; E274-L401 HydrophobicContact CG-CD1 3.74Å
275V98.5Very high98.1Very high1 Ų124.7 Ų24.71%0.00613%0.126CC..Hα-helixtrans-65.3-47.6175.5-178.20000111.1Y208 I209 Q271 I272 L273 K277 F278 L279 L303Y208-V275 VanDerWaalsContact CB-CG2 3.44Å; Y208-V275 WeakPolarHBondContact O-CG2 3.44Å; I209-V275 HydrophobicContact CD1-CG1 3.88Å; I209-V275 HydrophobicContact CG1-CG1 3.55Å; I209-V275 HydrophobicContact CG1-CG2 4.15Å; Q271-V275 WeakPolarHBondContact O-CG2 3.36Å; Q271-V275 PolarHBondContact O-N 3.1Å; I272-V275 WeakPolarHBondContact O-CB 3.31Å; I272-V275 PolarHBondContact O-N 2.89Å; I272-V275 VanDerWaalsContact O-N 3.13Å; L273-V275 VanDerWaalsContact C-N 3.31Å; L273-V275 PolarHBondContact O-N 3.03Å; V275-K277 VanDerWaalsContact C-N 3.3Å; V275-K277 PolarHBondContact O-N 3.43Å; V275-F278 WeakPolarHBondContact O-CB 3.33Å; V275-F278 PolarHBondContact O-N 3.42Å; V275-L279 HydrophobicContact CG1-CD1 4.01Å; V275-L279 HydrophobicContact CG1-CG 4.27Å; V275-L279 WeakPolarHBondContact O-CG 3.5Å; V275-L279 PolarHBondContact O-N 3.41Å; V275-L303 HydrophobicContact CB-CB 4.49Å; V275-L303 HydrophobicContact CB-CD2 4.14Å; V275-L303 HydrophobicContact CG1-CB 3.98Å; V275-L303 HydrophobicContact CG1-CD2 3.39Å; V275-L303 HydrophobicContact CG1-CG 4.34Å; V275-L303 HydrophobicContact CG2-CB 4.37Å
276L98.8Very high98Very high0 Ų024.7 Ų24.70%013%0.126CC..Hα-helixtrans-59.7-45.1179.5-64.9178.6000110.6I272 L273 F278 L279 H280 Y286 L289 L303 D334 V387I272-L276 HydrophobicContact CG2-CD1 4.31Å; I272-L276 HydrophobicContact CG2-CG 4.44Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.49Å; L273-L276 HydrophobicContact CD2-CD1 4.36Å; L273-L276 PolarHBondContact O-N 3.5Å; L276-F278 VanDerWaalsContact C-N 3.34Å; L276-F278 PolarHBondContact O-N 2.72Å; L276-L279 PolarHBondContact O-N 3.23Å; L276-H280 WeakPolarHBondContact O-CB 3.43Å; L276-H280 PolarHBondContact O-CD2 3.32Å; L276-H280 VanDerWaalsContact O-CD2 3.26Å; L276-H280 PolarHBondContact O-N 2.9Å; L276-Y286 HydrophobicContact CD2-CD1 3.9Å; L276-L289 HydrophobicContact CD1-CD2 3.88Å; L276-L289 HydrophobicContact CD2-CD2 4.5Å; L276-L303 HydrophobicContact CD2-CD2 4.49Å; L276-D334 HydrophobicContact CD1-CB 4.39Å; L276-D334 HydrophobicContact CD2-CB 4.19Å; L276-V387 HydrophobicContact CB-CG1 4.14Å; L276-V387 HydrophobicContact CB-CG2 4.02Å; L276-V387 HydrophobicContact CD1-CG2 4.41Å
277K98.4Very high98Very high57 Ų5723.4 Ų23.425%0.24812%0.122CC..Hα-helixtrans-57.7-48.1175.4176.7165.6173.541.70111.2L273 V275 L279 H280 D281 V387 L391L273-K277 WeakPolarHBondContact O-CB 3.41Å; L273-K277 PolarHBondContact O-N 2.87Å; V275-K277 VanDerWaalsContact C-N 3.3Å; V275-K277 PolarHBondContact O-N 3.43Å; K277-L279 VanDerWaalsContact C-N 3.33Å; K277-L279 PolarHBondContact O-N 3.11Å; K277-H280 PolarHBondContact O-N 3.11Å; K277-D281 IonicContact NZ-OD1 2.85Å; K277-D281 PolarHBondContact NZ-OD1 3.3Å; K277-D281 IonicContact NZ-OD2 3.35Å; K277-D281 PolarHBondContact NZ-OD2 3.26Å; K277-D281 WeakPolarHBondContact O-CB 3.5Å; K277-D281 PolarHBondContact O-N 3.28Å; K277-V387 HydrophobicContact CB-CG1 3.82Å; K277-L391 HydrophobicContact CB-CD1 4.13Å; K277-L391 HydrophobicContact CD-CD1 3.61Å; K277-L391 HydrophobicContact CG-CD1 4.48Å
278F98.3Very high98Very high20 Ų2022.5 Ų22.59%0.08812%0.115CC..Hα-helixtrans-57.9-44.2177.5170.6-101.8000112.3H206 I209 E274 V275 L276 K282 P407 F409H206-F278 AromaticContact CD2-CD1 3.57Å; H206-F278 AromaticContact CD2-CE1 3.99Å; H206-F278 AromaticContact CD2-CG 3.56Å; H206-F278 AromaticContact NE2-CG 3.93Å; I209-F278 HydrophobicContact CD1-CD1 4.18Å; I209-F278 HydrophobicContact CD1-CE1 4.16Å; E274-F278 WeakPolarHBondContact O-CB 3.48Å; E274-F278 PolarHBondContact O-N 3.01Å; V275-F278 WeakPolarHBondContact O-CB 3.33Å; V275-F278 PolarHBondContact O-N 3.42Å; L276-F278 VanDerWaalsContact C-N 3.34Å; L276-F278 PolarHBondContact O-N 2.72Å; F278-K282 HydrophobicContact CD2-CG 4.48Å; F278-K282 HydrophobicContact CE2-CG 4.22Å; F278-K282 HydrophobicContact CZ-CG 4.27Å; F278-K282 WeakPolarHBondContact O-CG 3.29Å; F278-K282 PolarHBondContact O-N 3.15Å; F278-K282 VanDerWaalsContact O-N 3.13Å; F278-P407 HydrophobicContact CD2-CB 3.77Å; F278-P407 HydrophobicContact CE2-CB 3.61Å; F278-P407 HydrophobicContact CZ-CB 4.3Å; F278-F409 HydrophobicContact CE1-CB 4.12Å; F278-F409 HydrophobicContact CZ-CB 3.6Å
279L98.5Very high98Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-67.5-42.3178.7-65.3177.1000111.9I209 V275 L276 K277 K282 G283 F284 Y286 L303 L306I209-L279 HydrophobicContact CD1-CD2 4.45Å; V275-L279 HydrophobicContact CG1-CD1 4.01Å; V275-L279 HydrophobicContact CG1-CG 4.27Å; V275-L279 WeakPolarHBondContact O-CG 3.5Å; V275-L279 PolarHBondContact O-N 3.41Å; L276-L279 PolarHBondContact O-N 3.23Å; K277-L279 VanDerWaalsContact C-N 3.33Å; K277-L279 PolarHBondContact O-N 3.11Å; L279-K282 CarbonylContact O-C 3.56Å; L279-K282 PolarHBondContact O-N 3.17Å; L279-G283 PolarHBondContact O-N 3.27Å; L279-F284 HydrophobicContact CD2-CB 4.15Å; L279-F284 HydrophobicContact CD2-CD1 4.1Å; L279-F284 HydrophobicContact CD2-CG 4.33Å; L279-F284 PolarHBondContact O-N 3.47Å; L279-Y286 HydrophobicContact CD1-CD2 4.27Å; L279-Y286 HydrophobicContact CD1-CG 4.18Å; L279-L303 HydrophobicContact CD1-CD2 4.33Å; L279-L306 HydrophobicContact CD1-CG 4.37Å; L279-L306 HydrophobicContact CD2-CD2 3.92Å
280H98.1Very high98Very high36 Ų3622.2 Ų22.217%0.16711%0.114CC..Hα-helixtrans-61-47176-64.9178.1000111.1L276 K277 K282 G283 E331 D334L276-H280 WeakPolarHBondContact O-CB 3.43Å; L276-H280 PolarHBondContact O-CD2 3.32Å; L276-H280 VanDerWaalsContact O-CD2 3.26Å; L276-H280 PolarHBondContact O-N 2.9Å; K277-H280 PolarHBondContact O-N 3.11Å; H280-K282 PolarHBondContact O-N 2.83Å; H280-G283 PolarHBondContact O-N 2.85Å; H280-E331 HydrophobicContact CB-CG 4.47Å; H280-D334 IonicContact CD2-OD2 2.96Å; H280-D334 IonicContact CE1-OD2 3.97Å; H280-D334 IonicContact NE2-OD2 3.79Å; H280-D334 PolarHBondContact NE2-OD2 2.96Å
281D97.4Very high98Very high110 Ų11020.1 Ų20.159%0.58811%0.106SC*.Hα-helixtrans-63.4-25.9177.4-68.4-15.4000112.2K277K277-D281 IonicContact NZ-OD1 2.85Å; K277-D281 PolarHBondContact NZ-OD1 3.3Å; K277-D281 IonicContact NZ-OD2 3.35Å; K277-D281 PolarHBondContact NZ-OD2 3.26Å; K277-D281 WeakPolarHBondContact O-CB 3.5Å; K277-D281 PolarHBondContact O-N 3.28Å
282K96.8Very high97.9Very high74 Ų7420.6 Ų20.632%0.32211%0.11SC..Hα-helixtrans-87.5-8.7174.5-66.5-64.8177.4-169.30113.8F278 L279 H280 F284F278-K282 HydrophobicContact CD2-CG 4.48Å; F278-K282 HydrophobicContact CE2-CG 4.22Å; F278-K282 HydrophobicContact CZ-CG 4.27Å; F278-K282 WeakPolarHBondContact O-CG 3.29Å; F278-K282 PolarHBondContact O-N 3.15Å; F278-K282 VanDerWaalsContact O-N 3.13Å; L279-K282 CarbonylContact O-C 3.56Å; L279-K282 PolarHBondContact O-N 3.17Å; H280-K282 PolarHBondContact O-N 2.83Å; K282-F284 PolarHBondContact O-N 3.1Å
283G96.8Very high97.9Very high35 Ų3520.8 Ų20.836%0.36111%0.111SC..THydrogen-bonded Turntrans65.825.1-171.700000113.3L279 H280L279-G283 PolarHBondContact O-N 3.27Å; H280-G283 PolarHBondContact O-N 2.85Å
284F98.3Very high97.9Very high3 Ų320.8 Ų20.81%0.01311%0.111CC..  trans-92.5121.1178.8-167.1-81.1000110L201 L279 K282 L306 L310 F409 I411 L419L201-F284 HydrophobicContact CD2-CE2 4.44Å; L201-F284 HydrophobicContact CD2-CZ 4Å; L279-F284 HydrophobicContact CD2-CB 4.15Å; L279-F284 HydrophobicContact CD2-CD1 4.1Å; L279-F284 HydrophobicContact CD2-CG 4.33Å; L279-F284 PolarHBondContact O-N 3.47Å; K282-F284 PolarHBondContact O-N 3.1Å; F284-L306 HydrophobicContact CE1-CB 4Å; F284-L306 HydrophobicContact CE1-CD2 4.3Å; F284-L306 HydrophobicContact CE1-CG 4.2Å; F284-L306 HydrophobicContact CZ-CB 4.42Å; F284-L310 HydrophobicContact CE2-CD1 4.33Å; F284-L310 HydrophobicContact CE2-CD2 4.09Å; F284-L310 HydrophobicContact CZ-CD1 3.92Å; F284-L310 HydrophobicContact CZ-CD2 3.86Å; F284-L310 HydrophobicContact CZ-CG 3.92Å; F284-F409 AromaticContact CD2-CE1 3.65Å; F284-F409 HydrophobicContact CD2-CE1 3.65Å; F284-F409 HydrophobicContact CD2-CZ 4.34Å; F284-F409 AromaticContact CE2-CE1 3.89Å; F284-F409 HydrophobicContact CE2-CE1 3.89Å; F284-F409 HydrophobicContact CE2-CZ 4.18Å; F284-F409 HydrophobicContact CG-CE1 4.28Å; F284-I411 HydrophobicContact CB-CD1 4.46Å; F284-I411 HydrophobicContact CD2-CD1 3.88Å; F284-L419 HydrophobicContact CD2-CD1 3.8Å; F284-L419 HydrophobicContact CE2-CD1 4.32Å
285P97.2Very high97.8Very high8 Ų819.4 Ų19.45%0.05211%0.105CC..  trans-71.3135.2-17828.8-33.9000111.7S309 L330 L419P285-S309 VanDerWaalsContact O-CB 3.28Å; P285-S309 WeakPolarHBondContact O-CB 3.46Å; P285-S309 PolarHBondContact O-OG 3.01Å; P285-L330 HydrophobicContact CB-CD1 3.34Å; P285-L419 HydrophobicContact CG-CD2 4.22Å
286Y97.9Very high97.7Very high1 Ų119.9 Ų19.90%0.00411%0.108CC..  trans-111.4-76.8172.2-170.2-120.7000112.8L276 L279 H288 L289 L303 L304 L306L276-Y286 HydrophobicContact CD2-CD1 3.9Å; L279-Y286 HydrophobicContact CD1-CD2 4.27Å; L279-Y286 HydrophobicContact CD1-CG 4.18Å; Y286-H288 HydrophobicContact CE1-CB 4.44Å; Y286-H288 HydrophobicContact CE2-CB 4.27Å; Y286-H288 PolarHBondContact O-CD2 3.45Å; Y286-H288 PolarHBondContact O-N 3.28Å; Y286-L289 HydrophobicContact CD1-CB 4.23Å; Y286-L289 HydrophobicContact CE1-CB 3.76Å; Y286-L289 HydrophobicContact CE1-CD1 4.14Å; Y286-L289 VanDerWaalsContact CE1-N 3.33Å; Y286-L303 HydrophobicContact CD1-CD2 4.06Å; Y286-L303 HydrophobicContact CD2-CD2 4.34Å; Y286-L303 HydrophobicContact CE1-CD1 3.85Å; Y286-L303 HydrophobicContact CE1-CD2 3.62Å; Y286-L303 HydrophobicContact CE1-CG 4.01Å; Y286-L303 HydrophobicContact CE2-CD2 3.95Å; Y286-L303 HydrophobicContact CE2-CG 4.18Å; Y286-L303 HydrophobicContact CG-CD2 4.4Å; Y286-L303 VanDerWaalsContact OH-CD1 3.28Å; Y286-L303 WeakPolarHBondContact OH-CD1 3.22Å; Y286-L303 WeakPolarHBondContact OH-CG 3.22Å; Y286-L304 WeakPolarHBondContact CE2-O 3.28Å; Y286-L304 PolarHBondContact OH-O 3.29Å; Y286-L306 HydrophobicContact CD2-CD1 4.34Å; Y286-L306 HydrophobicContact CD2-CG 4.4Å; Y286-L306 HydrophobicContact CE2-CD1 4.09Å
287G97Very high97.2Very high4 Ų423.1 Ų23.14%0.04113%0.125CC..  trans64.311.4172.700000115.8A315 D334G287-A315 WeakPolarHBondContact O-CB 3.38Å; G287-D334 VanDerWaalsContact CA-OD1 3.26Å; G287-D334 WeakPolarHBondContact CA-OD1 3.44Å; G287-D334 PolarHBondContact N-OD1 2.9Å
288H97.7Very high96.6Very high10 Ų1022 Ų225%0.04613%0.129CC..  trans-12619.2-171.3-69.6-53.4000113.7R158 Y286 H290 N293 N308 S309 L313R158-H288 PolarHBondContact NH2-ND1 3.17Å; Y286-H288 HydrophobicContact CE1-CB 4.44Å; Y286-H288 HydrophobicContact CE2-CB 4.27Å; Y286-H288 PolarHBondContact O-CD2 3.45Å; Y286-H288 PolarHBondContact O-N 3.28Å; H288-H290 PolarHBondContact O-CD2 3.01Å; H288-H290 PolarHBondContact O-N 3.46Å; H288-N293 PolarHBondContact O-ND2 3.09Å; H288-N308 WeakPolarHBondContact CD2-CB 3.32Å; H288-N308 WeakPolarHBondContact NE2-CB 3.34Å; H288-N308 PolarHBondContact NE2-O 3.45Å; H288-S309 PolarHBondContact CD2-N 3.01Å; H288-S309 PolarHBondContact NE2-N 3.23Å; H288-L313 PolarHBondContact CE1-O 3.43Å
289L98.6Very high96Very high1 Ų127.4 Ų27.41%0.00516%0.159CC..  trans-67.9124.8-177.2-172.764.5000111.7I272 L276 Y286 V294 L303 C337 F338 L341I272-L289 HydrophobicContact CG2-CD1 3.84Å; I272-L289 HydrophobicContact CG2-CD2 4.08Å; L276-L289 HydrophobicContact CD1-CD2 3.88Å; L276-L289 HydrophobicContact CD2-CD2 4.5Å; Y286-L289 HydrophobicContact CD1-CB 4.23Å; Y286-L289 HydrophobicContact CE1-CB 3.76Å; Y286-L289 HydrophobicContact CE1-CD1 4.14Å; Y286-L289 VanDerWaalsContact CE1-N 3.33Å; L289-V294 HydrophobicContact CD1-CG2 4.47Å; L289-L303 HydrophobicContact CD1-CD1 3.52Å; L289-C337 HydrophobicContact CB-CB 3.75Å; L289-C337 HydrophobicContact CD2-CB 4.46Å; L289-C337 HydrophobicContact CG-CB 4.41Å; L289-C337 WeakPolarHBondContact O-CB 3.23Å; L289-F338 HydrophobicContact CD2-CB 3.72Å; L289-F338 HydrophobicContact CD2-CD2 4.19Å; L289-F338 HydrophobicContact CD2-CG 4.49Å; L289-L341 HydrophobicContact CD1-CD1 3.65Å; L289-L341 HydrophobicContact CD2-CD1 4.41Å; L289-L341 HydrophobicContact CG-CD1 3.81Å
290H97.9Very high95.7Very high1 Ų129.3 Ų29.31%0.00517%0.171CC..SBendtrans-164.2165.3166.454.989.6000108.6W157 H288 S292 N293 F316 Y317W157-H290 AromaticContact NE1-CE1 3.66Å; W157-H290 AromaticContact NE1-NE2 3.54Å; H288-H290 PolarHBondContact O-CD2 3.01Å; H288-H290 PolarHBondContact O-N 3.46Å; H290-S292 WeakPolarHBondContact ND1-CB 3.49Å; H290-S292 PolarHBondContact ND1-N 2.89Å; H290-S292 PolarHBondContact O-N 3.17Å; H290-S292 VanDerWaalsContact O-N 3.13Å; H290-N293 PolarHBondContact CE1-OD1 3.27Å; H290-N293 VanDerWaalsContact NE2-CG 3.3Å; H290-N293 PolarHBondContact NE2-ND2 3.41Å; H290-N293 PolarHBondContact NE2-OD1 3.12Å; H290-N293 PolarHBondContact O-N 3.41Å; H290-F316 HydrophobicContact CB-CD1 4.19Å; H290-Y317 HydrophobicContact CB-CD2 4.4Å; H290-Y317 HydrophobicContact CB-CE2 3.71Å
291T97.9Very high95.6Very high0 Ų027.6 Ų27.60%016%0.163CC..G310 helixtrans-58-27.8-176.849.30000114.1L234 K235 I238 N293 L341 E344L234-T291 WeakPolarHBondContact CB-O 3.4Å; L234-T291 HydrophobicContact CD2-CG2 4.2Å; L234-T291 HydrophobicContact CG-CG2 4.42Å; K235-T291 WeakPolarHBondContact CB-OG1 3.46Å; K235-T291 WeakPolarHBondContact CG-OG1 3.44Å; K235-T291 PolarHBondContact N-O 3.12Å; K235-T291 VanDerWaalsContact N-O 3.15Å; I238-T291 HydrophobicContact CD1-CG2 4.09Å; T291-N293 VanDerWaalsContact C-N 3.32Å; T291-L341 HydrophobicContact CG2-CG 3.92Å; T291-E344 WeakPolarHBondContact CB-OE2 3.29Å; T291-E344 HydrophobicContact CG2-CB 4.1Å; T291-E344 HydrophobicContact CG2-CG 4.1Å; T291-E344 WeakPolarHBondContact CG2-OE2 3.45Å; T291-E344 PolarHBondContact OG1-OE2 3.4Å
292S96.8Very high95.6Very high17 Ų1725.2 Ų25.212%0.11915%0.146CC..G310 helixtrans-78.5-9.7174-32.70000114.8T233 K235 H290T233-S292 VanDerWaalsContact CG2-O 3.3Å; T233-S292 WeakPolarHBondContact CG2-O 3.38Å; K235-S292 WeakPolarHBondContact CD-OG 3.25Å; H290-S292 WeakPolarHBondContact ND1-CB 3.49Å; H290-S292 PolarHBondContact ND1-N 2.89Å; H290-S292 PolarHBondContact O-N 3.17Å; H290-S292 VanDerWaalsContact O-N 3.13Å
293N97.8Very high95.7Very high7 Ų721.8 Ų21.84%0.03713%0.131CC..G310 helixtrans-103.223172.7-70.8-4.7000111.7H288 H290 T291 L304H288-N293 PolarHBondContact O-ND2 3.09Å; H290-N293 PolarHBondContact CE1-OD1 3.27Å; H290-N293 VanDerWaalsContact NE2-CG 3.3Å; H290-N293 PolarHBondContact NE2-ND2 3.41Å; H290-N293 PolarHBondContact NE2-OD1 3.12Å; H290-N293 PolarHBondContact O-N 3.41Å; T291-N293 VanDerWaalsContact C-N 3.32Å; N293-L304 HydrophobicContact CB-CB 4.4Å; N293-L304 WeakPolarHBondContact O-CB 3.32Å; N293-L304 PolarHBondContact O-N 3.05Å
294V98.3Very high95.7Very high0 Ų020.8 Ų20.80%012%0.117CC..EExtended strand (participates in β ladder)trans-123.5113.8172.7-179.90000107.7T233 L234 I272 L289 C301 L303 L341T233-V294 CarbonylContact C-O 3.2Å; T233-V294 WeakPolarHBondContact CA-O 3.41Å; T233-V294 WeakPolarHBondContact CB-O 3.32Å; L234-V294 HydrophobicContact CB-CB 3.91Å; L234-V294 HydrophobicContact CB-CG1 4.04Å; L234-V294 HydrophobicContact CD2-CB 4.23Å; L234-V294 HydrophobicContact CD2-CG1 4.12Å; L234-V294 PolarHBondContact N-O 3.09Å; I272-V294 HydrophobicContact CD1-CG1 4.36Å; I272-V294 HydrophobicContact CD1-CG2 4.04Å; I272-V294 HydrophobicContact CG1-CG2 4.41Å; L289-V294 HydrophobicContact CD1-CG2 4.47Å; V294-C301 HydrophobicContact CG1-CB 3.56Å; V294-L303 HydrophobicContact CG2-CD1 4.09Å; V294-L341 HydrophobicContact CG2-CD1 3.95Å
295M97.8Very high95.6Very high23 Ų2321.1 Ų21.111%0.11312%0.119CC..EExtended strand (participates in β ladder)trans-84.1145.4176.2-16963.379.900110.6Y210 N229 G232 C301 R302 L304Y210-M295 HydrophobicContact CD2-CB 3.72Å; Y210-M295 HydrophobicContact CD2-CG 3.61Å; Y210-M295 HydrophobicContact CE1-CE 4.09Å; Y210-M295 HydrophobicContact CE1-CG 4.48Å; Y210-M295 HydrophobicContact CE2-CB 4.16Å; Y210-M295 HydrophobicContact CE2-CG 3.5Å; Y210-M295 HydrophobicContact CG-CB 4.01Å; Y210-M295 HydrophobicContact CG-CG 4.2Å; N229-M295 HydrophobicContact CB-CE 4.07Å; N229-M295 HydrophobicContact CB-CG 4.22Å; N229-M295 HydrophobicContact CB-SD 3.57Å; N229-M295 VanDerWaalsContact CB-SD 3.57Å; G232-M295 VanDerWaalsContact C-SD 3.6Å; M295-C301 CarbonylContact O-C 3.58Å; M295-C301 WeakPolarHBondContact O-CA 3.49Å; M295-R302 PolarHBondContact N-O 3.34Å; M295-R302 PolarHBondContact O-N 3.31Å; M295-L304 HydrophobicContact CB-CD1 3.94Å; M295-L304 HydrophobicContact CB-CD2 4.29Å; M295-L304 HydrophobicContact CB-CG 4.04Å; M295-L304 HydrophobicContact CE-CD1 4.05Å; M295-L304 HydrophobicContact CE-CD2 4.16Å
296L94.5Very high95.6Very high10 Ų1021.1 Ų21.15%0.05212%0.119CC..EExtended strand (participates in β ladder)trans-102.1119.8174.2-66.5176.1000111.7N229 G232 L234 L237 Y268 C301N229-L296 PolarHBondContact ND2-O 3.42Å; G232-L296 PolarHBondContact O-N 3.27Å; G232-L296 VanDerWaalsContact O-N 3.1Å; L234-L296 HydrophobicContact CD1-CD2 4.13Å; L237-L296 HydrophobicContact CB-CD1 3.5Å; L237-L296 HydrophobicContact CD2-CD1 3.58Å; L237-L296 HydrophobicContact CG-CD1 4.08Å; Y268-L296 HydrophobicContact CE2-CD2 4.22Å; L296-C301 HydrophobicContact CD2-CB 4.3Å
297D89.1Confident95.6Very high68 Ų6821 Ų2136%0.36412%0.119SC..EExtended strand (participates in β ladder)trans-125.694.6178.3-177.326.2000109.3D299 T300 R302D297-D299 PolarHBondContact O-N 3.05Å; D297-T300 PolarHBondContact N-O 2.71Å; D297-T300 WeakPolarHBondContact O-CB 3.22Å; D297-T300 PolarHBondContact O-N 2.86Å; D297-R302 IonicContact OD2-CZ 3.24Å; D297-R302 IonicContact OD2-NE 3.68Å; D297-R302 PolarHBondContact OD2-NE 3Å; D297-R302 IonicContact OD2-NH2 2.88Å; D297-R302 PolarHBondContact OD2-NH2 3Å
298G85.6Confident95.7Very high33 Ų3320.9 Ų20.934%0.3412%0.117SC..THydrogen-bonded Turntrans61.5-126.6-167.700000111T300G298-T300 VanDerWaalsContact C-N 3.32Å
299D85.2Confident95.6Very high134 Ų13420.9 Ų20.972%0.71712%0.118SC*.THydrogen-bonded Turntrans-94.415.1174.4-60.3-43.2000112.8Y268 D297Y268-D299 WeakPolarHBondContact CE1-O 3.21Å; D297-D299 PolarHBondContact O-N 3.05Å
300T92.9Very high95.6Very high40 Ų4021 Ų2125%0.24512%0.118CC..EExtended strand (participates in β ladder)trans-111.6130.2177.4-610000110.2Y208 D297 G298 R302Y208-T300 HydrophobicContact CD1-CG2 3.49Å; Y208-T300 VanDerWaalsContact CD1-CG2 3.49Å; Y208-T300 HydrophobicContact CE1-CG2 3.64Å; D297-T300 PolarHBondContact N-O 2.71Å; D297-T300 WeakPolarHBondContact O-CB 3.22Å; D297-T300 PolarHBondContact O-N 2.86Å; G298-T300 VanDerWaalsContact C-N 3.32Å; T300-R302 HydrophobicContact CG2-CG 4.13Å
301C95.7Very high95.5Very high1 Ų120.9 Ų20.91%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-93.1140.8169.481.70000110Y268 Q271 V294 M295 L296Y268-C301 HydrophobicContact CD1-CB 3.86Å; Y268-C301 HydrophobicContact CE1-CB 4.42Å; Y268-C301 HydrophobicContact CG-CB 4.08Å; Q271-C301 PolarHBondContact OE1-SG 3.3Å; V294-C301 HydrophobicContact CG1-CB 3.56Å; M295-C301 CarbonylContact O-C 3.58Å; M295-C301 WeakPolarHBondContact O-CA 3.49Å; L296-C301 HydrophobicContact CD2-CB 4.3Å
302R97.8Very high95.5Very high60 Ų6021 Ų2123%0.22612%0.119CC..EExtended strand (participates in β ladder)trans-131.4125.6-177.8-58.1-171.2-171-122.914.1110.9P207 Y208 Y210 M295 D297 T300P207-R302 PolarHBondContact O-NH1 3.33Å; Y208-R302 CarbonylContact O-C 3.54Å; Y208-R302 VanDerWaalsContact O-CA 3.24Å; Y208-R302 WeakPolarHBondContact O-CA 3.45Å; Y210-R302 HydrophobicContact CD2-CB 4.1Å; M295-R302 PolarHBondContact N-O 3.34Å; M295-R302 PolarHBondContact O-N 3.31Å; D297-R302 IonicContact OD2-CZ 3.24Å; D297-R302 IonicContact OD2-NE 3.68Å; D297-R302 PolarHBondContact OD2-NE 3Å; D297-R302 IonicContact OD2-NH2 2.88Å; D297-R302 PolarHBondContact OD2-NH2 3Å; T300-R302 HydrophobicContact CG2-CG 4.13Å
303L98.2Very high95.5Very high2 Ų220.7 Ų20.71%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-69.3134.7-178.6-16268.2000111.1Y208 Y210 V275 L276 L279 Y286 L289 V294Y208-L303 PolarHBondContact O-N 3.32Å; Y210-L303 PolarHBondContact N-O 3.36Å; V275-L303 HydrophobicContact CB-CB 4.49Å; V275-L303 HydrophobicContact CB-CD2 4.14Å; V275-L303 HydrophobicContact CG1-CB 3.98Å; V275-L303 HydrophobicContact CG1-CD2 3.39Å; V275-L303 HydrophobicContact CG1-CG 4.34Å; V275-L303 HydrophobicContact CG2-CB 4.37Å; L276-L303 HydrophobicContact CD2-CD2 4.49Å; L279-L303 HydrophobicContact CD1-CD2 4.33Å; Y286-L303 HydrophobicContact CD1-CD2 4.06Å; Y286-L303 HydrophobicContact CD2-CD2 4.34Å; Y286-L303 HydrophobicContact CE1-CD1 3.85Å; Y286-L303 HydrophobicContact CE1-CD2 3.62Å; Y286-L303 HydrophobicContact CE1-CG 4.01Å; Y286-L303 HydrophobicContact CE2-CD2 3.95Å; Y286-L303 HydrophobicContact CE2-CG 4.18Å; Y286-L303 HydrophobicContact CG-CD2 4.4Å; Y286-L303 VanDerWaalsContact OH-CD1 3.28Å; Y286-L303 WeakPolarHBondContact OH-CD1 3.22Å; Y286-L303 WeakPolarHBondContact OH-CG 3.22Å; L289-L303 HydrophobicContact CD1-CD1 3.52Å; V294-L303 HydrophobicContact CG2-CD1 4.09Å
304L97.6Very high95.3Very high13 Ų1320.8 Ų20.87%0.06812%0.117CC..  trans-101.6171.7179.6-71.7159.7000111.3Y210 T233 Y286 N293 M295 L306Y210-L304 HydrophobicContact CD1-CD2 3.35Å; Y210-L304 HydrophobicContact CE1-CD2 4.2Å; Y210-L304 HydrophobicContact CG-CD2 3.67Å; T233-L304 HydrophobicContact CG2-CD1 4.32Å; Y286-L304 WeakPolarHBondContact CE2-O 3.28Å; Y286-L304 PolarHBondContact OH-O 3.29Å; N293-L304 HydrophobicContact CB-CB 4.4Å; N293-L304 WeakPolarHBondContact O-CB 3.32Å; N293-L304 PolarHBondContact O-N 3.05Å; M295-L304 HydrophobicContact CB-CD1 3.94Å; M295-L304 HydrophobicContact CB-CD2 4.29Å; M295-L304 HydrophobicContact CB-CG 4.04Å; M295-L304 HydrophobicContact CE-CD1 4.05Å; M295-L304 HydrophobicContact CE-CD2 4.16Å; L304-L306 PolarHBondContact O-N 3.42Å
305D96.7Very high95.1Very high10 Ų1021.1 Ų21.15%0.05312%0.12CC..  trans70.527.3148.8-95.730.1000115.9R158 K161 E307 N308R158-D305 IonicContact NH1-OD2 3.63Å; K161-D305 IonicContact NZ-OD1 3.07Å; K161-D305 PolarHBondContact NZ-OD1 3.44Å; K161-D305 VanDerWaalsContact NZ-OD1 3.09Å; K161-D305 IonicContact NZ-OD2 3.12Å; K161-D305 PolarHBondContact NZ-OD2 2.84Å; D305-E307 VanDerWaalsContact C-OE2 3.23Å; D305-E307 VanDerWaalsContact CA-OE2 3.23Å; D305-E307 WeakPolarHBondContact CA-OE2 3.47Å; D305-E307 PolarHBondContact O-N 2.92Å; D305-E307 VanDerWaalsContact O-N 3.14Å; D305-N308 VanDerWaalsContact CB-ND2 3.31Å; D305-N308 WeakPolarHBondContact CB-ND2 3.09Å; D305-N308 WeakPolarHBondContact O-CB 2.97Å; D305-N308 PolarHBondContact O-N 2.88Å; D305-N308 PolarHBondContact O-ND2 2.63Å; D305-N308 PolarHBondContact OD2-ND2 2.99Å
306L97.8Very high95Very high8 Ų820.9 Ų20.94%0.04212%0.118CC..THydrogen-bonded Turntrans-53.8-29.6173.4-86.764.9000113.1L201 I209 L279 F284 Y286 L304 N308 S309L201-L306 HydrophobicContact CD2-CB 4.25Å; I209-L306 HydrophobicContact CD1-CD2 4.24Å; I209-L306 HydrophobicContact CG2-CD1 4.08Å; I209-L306 HydrophobicContact CG2-CD2 4.39Å; L279-L306 HydrophobicContact CD1-CG 4.37Å; L279-L306 HydrophobicContact CD2-CD2 3.92Å; F284-L306 HydrophobicContact CE1-CB 4Å; F284-L306 HydrophobicContact CE1-CD2 4.3Å; F284-L306 HydrophobicContact CE1-CG 4.2Å; F284-L306 HydrophobicContact CZ-CB 4.42Å; Y286-L306 HydrophobicContact CD2-CD1 4.34Å; Y286-L306 HydrophobicContact CD2-CG 4.4Å; Y286-L306 HydrophobicContact CE2-CD1 4.09Å; L304-L306 PolarHBondContact O-N 3.42Å; L306-N308 PolarHBondContact O-N 3.44Å; L306-S309 PolarHBondContact O-OG 3.09Å; L306-S309 VanDerWaalsContact O-OG 3.08Å
307E97.9Very high95Very high0 Ų020.5 Ų20.50%012%0.116CC..Hα-helixtrans-62.1-23177.366.3-89.1-152.600114K161 I198 L201 L224 R226 D305 S309 L310 L311K161-E307 IonicContact NZ-OE1 2.83Å; K161-E307 PolarHBondContact NZ-OE1 3.4Å; I198-E307 HydrophobicContact CD1-CB 4.01Å; L201-E307 HydrophobicContact CD1-CB 3.71Å; L224-E307 HydrophobicContact CD1-CB 3.97Å; L224-E307 HydrophobicContact CD1-CG 3.64Å; L224-E307 HydrophobicContact CD2-CB 3.77Å; L224-E307 VanDerWaalsContact CD2-CD 3.49Å; L224-E307 HydrophobicContact CD2-CG 3.83Å; L224-E307 HydrophobicContact CG-CG 4.39Å; R226-E307 IonicContact CZ-OE1 3.84Å; R226-E307 IonicContact CZ-OE2 3.03Å; R226-E307 IonicContact NH1-OE1 3.15Å; R226-E307 PolarHBondContact NH1-OE1 3.37Å; R226-E307 IonicContact NH1-OE2 3.6Å; R226-E307 VanDerWaalsContact NH2-CD 3.34Å; R226-E307 IonicContact NH2-OE1 2.72Å; R226-E307 PolarHBondContact NH2-OE1 3.43Å; R226-E307 IonicContact NH2-OE2 2.73Å; R226-E307 PolarHBondContact NH2-OE2 3.06Å; D305-E307 VanDerWaalsContact C-OE2 3.23Å; D305-E307 VanDerWaalsContact CA-OE2 3.23Å; D305-E307 WeakPolarHBondContact CA-OE2 3.47Å; D305-E307 PolarHBondContact O-N 2.92Å; D305-E307 VanDerWaalsContact O-N 3.14Å; E307-S309 PolarHBondContact O-N 3.14Å; E307-L310 WeakPolarHBondContact O-CB 3.31Å; E307-L310 PolarHBondContact O-N 3.4Å; E307-L310 VanDerWaalsContact O-N 3.1Å; E307-L311 HydrophobicContact CB-CD1 4.25Å; E307-L311 HydrophobicContact CG-CD1 3.95Å; E307-L311 WeakPolarHBondContact O-CB 3.36Å; E307-L311 WeakPolarHBondContact O-CG 3.39Å; E307-L311 PolarHBondContact O-N 3.36Å
308N97.6Very high95.2Very high0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-63.5-33.8-171.8-71.6-16.3000111.1R158 K161 H288 D305 L306 G312 L313R158-N308 PolarHBondContact NH1-ND2 3.32Å; R158-N308 PolarHBondContact NH2-ND2 2.76Å; K161-N308 PolarHBondContact NZ-OD1 2.95Å; H288-N308 WeakPolarHBondContact CD2-CB 3.32Å; H288-N308 WeakPolarHBondContact NE2-CB 3.34Å; H288-N308 PolarHBondContact NE2-O 3.45Å; D305-N308 VanDerWaalsContact CB-ND2 3.31Å; D305-N308 WeakPolarHBondContact CB-ND2 3.09Å; D305-N308 WeakPolarHBondContact O-CB 2.97Å; D305-N308 PolarHBondContact O-N 2.88Å; D305-N308 PolarHBondContact O-ND2 2.63Å; D305-N308 PolarHBondContact OD2-ND2 2.99Å; L306-N308 PolarHBondContact O-N 3.44Å; N308-G312 PolarHBondContact O-N 2.97Å; N308-L313 HydrophobicContact CB-CB 4.42Å; N308-L313 HydrophobicContact CB-CD1 4.22Å; N308-L313 PolarHBondContact O-N 2.85Å; N308-L313 WeakPolarHBondContact OD1-CD1 3.12Å
309S96.3Very high95.5Very high11 Ų1117.8 Ų17.88%0.07710%0.096CC..Hα-helixtrans-70.9-38.2176.5620000111.7P285 H288 L306 E307 G312P285-S309 VanDerWaalsContact O-CB 3.28Å; P285-S309 WeakPolarHBondContact O-CB 3.46Å; P285-S309 PolarHBondContact O-OG 3.01Å; H288-S309 PolarHBondContact CD2-N 3.01Å; H288-S309 PolarHBondContact NE2-N 3.23Å; L306-S309 PolarHBondContact O-OG 3.09Å; L306-S309 VanDerWaalsContact O-OG 3.08Å; E307-S309 PolarHBondContact O-N 3.14Å; S309-G312 PolarHBondContact O-N 3.04Å; S309-G312 VanDerWaalsContact O-N 3.14Å
310L97.9Very high95.8Very high2 Ų214 Ų141%0.017%0.072CC..Hα-helixtrans-67.4-37.3176.2-55.2-177.5000112.2K187 L189 F194 L197 I198 L201 F284 E307 G312 L419K187-L310 WeakPolarHBondContact CD-O 3.48Å; L189-L310 HydrophobicContact CD1-CB 4.27Å; L189-L310 HydrophobicContact CD1-CD2 3.9Å; F194-L310 HydrophobicContact CD2-CB 4.22Å; F194-L310 WeakPolarHBondContact CD2-O 3.42Å; F194-L310 HydrophobicContact CE2-CB 4.19Å; F194-L310 WeakPolarHBondContact CE2-O 3.37Å; L197-L310 HydrophobicContact CB-CD1 3.91Å; L197-L310 HydrophobicContact CB-CD2 4.4Å; L197-L310 HydrophobicContact CD1-CD2 4.25Å; I198-L310 HydrophobicContact CD1-CB 4.13Å; I198-L310 HydrophobicContact CD1-CD1 3.93Å; I198-L310 HydrophobicContact CG1-CD1 4.42Å; L201-L310 HydrophobicContact CD1-CD1 4.29Å; L201-L310 HydrophobicContact CD2-CD1 4.23Å; L201-L310 HydrophobicContact CG-CD1 4.4Å; F284-L310 HydrophobicContact CE2-CD1 4.33Å; F284-L310 HydrophobicContact CE2-CD2 4.09Å; F284-L310 HydrophobicContact CZ-CD1 3.92Å; F284-L310 HydrophobicContact CZ-CD2 3.86Å; F284-L310 HydrophobicContact CZ-CG 3.92Å; E307-L310 WeakPolarHBondContact O-CB 3.31Å; E307-L310 PolarHBondContact O-N 3.4Å; E307-L310 VanDerWaalsContact O-N 3.1Å; L310-G312 PolarHBondContact O-N 3.07Å; L310-L419 HydrophobicContact CD2-CD2 3.52Å
311L97.4Very high95.9Very high0 Ų012.3 Ų12.30%06%0.061CC..THydrogen-bonded Turntrans-71.5-13.4174-79.3160.4000112.7A181 L183 G184 F194 A222 E307 L313A181-L311 HydrophobicContact CB-CD1 3.82Å; A181-L311 HydrophobicContact CB-CD2 4.47Å; L183-L311 HydrophobicContact CD2-CD2 4.01Å; G184-L311 PolarHBondContact N-O 2.86Å; F194-L311 HydrophobicContact CE2-CD2 4.12Å; F194-L311 HydrophobicContact CE2-CG 4.2Å; F194-L311 HydrophobicContact CZ-CD2 3.69Å; F194-L311 HydrophobicContact CZ-CG 4.25Å; A222-L311 HydrophobicContact CB-CD1 4.33Å; A222-L311 HydrophobicContact CB-CD2 3.76Å; A222-L311 HydrophobicContact CB-CG 4.25Å; E307-L311 HydrophobicContact CB-CD1 4.25Å; E307-L311 HydrophobicContact CG-CD1 3.95Å; E307-L311 WeakPolarHBondContact O-CB 3.36Å; E307-L311 WeakPolarHBondContact O-CG 3.39Å; E307-L311 PolarHBondContact O-N 3.36Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 HydrophobicContact CB-CD1 4.33Å; L311-L313 HydrophobicContact CB-CD2 4.08Å; L311-L313 HydrophobicContact CB-CG 3.69Å; L311-L313 HydrophobicContact CD1-CD1 4.15Å; L311-L313 HydrophobicContact CD1-CG 4.41Å; L311-L313 PolarHBondContact O-N 3Å
312G96.6Very high95.8Very high1 Ų112.5 Ų12.51%0.016%0.062CC..THydrogen-bonded Turntrans67.925.7-17600000113.6G184 P185 D186 N308 S309 L310G184-G312 CarbonylContact C-O 3.54Å; G184-G312 WeakPolarHBondContact CA-O 3.23Å; P185-G312 WeakPolarHBondContact CD-O 3.49Å; D186-G312 WeakPolarHBondContact CB-O 3.32Å; D186-G312 PolarHBondContact N-O 2.73Å; N308-G312 PolarHBondContact O-N 2.97Å; S309-G312 PolarHBondContact O-N 3.04Å; S309-G312 VanDerWaalsContact O-N 3.14Å; L310-G312 PolarHBondContact O-N 3.07Å
313L96.3Very high95.5Very high11 Ų1113.5 Ų13.56%0.0587%0.07CC..PPolyproline II helixtrans-68.2149.5-178.5-60.5-173.3000110.5K161 A181 D182 H288 N308 L311K161-L313 HydrophobicContact CD-CD1 4.45Å; A181-L313 HydrophobicContact CB-CD1 4.21Å; D182-L313 VanDerWaalsContact O-CD2 3.31Å; D182-L313 WeakPolarHBondContact O-CD2 3.22Å; H288-L313 PolarHBondContact CE1-O 3.43Å; N308-L313 HydrophobicContact CB-CB 4.42Å; N308-L313 HydrophobicContact CB-CD1 4.22Å; N308-L313 PolarHBondContact O-N 2.85Å; N308-L313 WeakPolarHBondContact OD1-CD1 3.12Å; L311-L313 VanDerWaalsContact C-N 3.26Å; L311-L313 HydrophobicContact CB-CD1 4.33Å; L311-L313 HydrophobicContact CB-CD2 4.08Å; L311-L313 HydrophobicContact CB-CG 3.69Å; L311-L313 HydrophobicContact CD1-CD1 4.15Å; L311-L313 HydrophobicContact CD1-CG 4.41Å; L311-L313 PolarHBondContact O-N 3Å
314P93.8Very high95.3Very high10 Ų1014.9 Ų14.97%0.0658%0.076CC..PPolyproline II helixtrans-69.4146.3174.330.5-34.8000111.3D15 T17 R158D15-P314 WeakPolarHBondContact OD1-CB 3.34Å; T17-P314 HydrophobicContact CG2-CB 3.63Å; T17-P314 HydrophobicContact CG2-CG 3.91Å; R158-P314 PolarHBondContact NE-O 3.44Å; R158-P314 PolarHBondContact NH2-O 2.73Å
315A95.3Very high95.2Very high7 Ų721 Ų216%0.05810%0.098CC..PPolyproline II helixtrans-81.2146178.500000111.9G287 Y317 R318 F321G287-A315 WeakPolarHBondContact O-CB 3.38Å; A315-Y317 VanDerWaalsContact C-N 3.3Å; A315-Y317 PolarHBondContact O-N 3.39Å; A315-R318 HydrophobicContact CB-CB 4.43Å; A315-R318 WeakPolarHBondContact O-CB 3.35Å; A315-R318 PolarHBondContact O-N 3.41Å; A315-R318 VanDerWaalsContact O-N 3.13Å; A315-F321 HydrophobicContact CB-CE1 4.15Å; A315-F321 HydrophobicContact CB-CZ 4.2Å
316F94.9Very high95.1Very high17 Ų1725.8 Ų25.88%0.07512%0.118CC..THydrogen-bonded Turntrans-56.6-44.5179.5-178.2-104.2000112H107 W157 H290 R318H107-F316 AromaticContact CD2-CZ 3.83Å; H107-F316 AromaticContact NE2-CE1 3.98Å; H107-F316 AromaticContact NE2-CE2 3.51Å; H107-F316 AromaticContact NE2-CZ 3.45Å; H107-F316 WeakPolarHBondContact NE2-CZ 3.22Å; W157-F316 AromaticContact CD1-CD2 3.94Å; W157-F316 AromaticContact CD2-CD2 3.82Å; W157-F316 HydrophobicContact CD2-CD2 3.82Å; W157-F316 AromaticContact CE2-CD2 3.63Å; W157-F316 HydrophobicContact CE3-CD2 4.39Å; W157-F316 HydrophobicContact CG-CD2 4.03Å; W157-F316 HydrophobicContact CG-CE2 4.38Å; W157-F316 HydrophobicContact CH2-CB 4.35Å; W157-F316 VanDerWaalsContact CZ2-CA 3.49Å; W157-F316 HydrophobicContact CZ2-CB 3.65Å; W157-F316 HydrophobicContact CZ2-CD2 4.08Å; W157-F316 HydrophobicContact CZ2-CG 4.38Å; W157-F316 AromaticContact NE1-CD2 3.7Å; H290-F316 HydrophobicContact CB-CD1 4.19Å; F316-R318 VanDerWaalsContact C-N 3.33Å; F316-R318 PolarHBondContact O-N 2.91Å
317Y94.5Very high95Very high3 Ų325.4 Ų25.41%0.01212%0.116CC..THydrogen-bonded Turntrans-89.315.1-179.2-66.5-57.1000114.5H290 A315 S319 Y320 F321 C337 H340H290-Y317 HydrophobicContact CB-CD2 4.4Å; H290-Y317 HydrophobicContact CB-CE2 3.71Å; A315-Y317 VanDerWaalsContact C-N 3.3Å; A315-Y317 PolarHBondContact O-N 3.39Å; Y317-S319 VanDerWaalsContact C-N 3.33Å; Y317-S319 PolarHBondContact O-N 3.44Å; Y317-Y320 AromaticContact CD1-CD2 3.76Å; Y317-Y320 HydrophobicContact CD1-CD2 3.76Å; Y317-Y320 AromaticContact CD1-CE2 3.97Å; Y317-Y320 HydrophobicContact CD1-CE2 3.97Å; Y317-Y320 HydrophobicContact CD1-CG 4.1Å; Y317-Y320 WeakPolarHBondContact O-CA 3.31Å; Y317-Y320 VanDerWaalsContact O-CB 3.31Å; Y317-Y320 WeakPolarHBondContact O-CB 3.47Å; Y317-Y320 PolarHBondContact O-N 3.32Å; Y317-F321 WeakPolarHBondContact O-CD1 3.13Å; Y317-F321 WeakPolarHBondContact O-CE1 3.18Å; Y317-F321 PolarHBondContact O-N 2.98Å; Y317-C337 HydrophobicContact CD2-CB 4.11Å; Y317-H340 HydrophobicContact CD2-CB 4.32Å; Y317-H340 HydrophobicContact CE1-CB 4.14Å; Y317-H340 AromaticContact CE1-CG 3.97Å; Y317-H340 AromaticContact CE1-ND1 3.82Å; Y317-H340 HydrophobicContact CE2-CB 3.71Å; Y317-H340 AromaticContact CZ-CG 3.98Å
318R93.6Very high95Very high7 Ų728 Ų283%0.02613%0.13CC..Hα-helixtrans-52.6-49.2-174.7-170.7177-172.295.86113D15 D186 A315 F316 Y320 F321 S322 R429 E433D15-R318 IonicContact OD2-NE 2.7Å; D186-R318 IonicContact OD2-NH1 3.66Å; D186-R318 PolarHBondContact OD2-NH1 2.92Å; A315-R318 HydrophobicContact CB-CB 4.43Å; A315-R318 WeakPolarHBondContact O-CB 3.35Å; A315-R318 PolarHBondContact O-N 3.41Å; A315-R318 VanDerWaalsContact O-N 3.13Å; F316-R318 VanDerWaalsContact C-N 3.33Å; F316-R318 PolarHBondContact O-N 2.91Å; R318-Y320 PolarHBondContact O-N 3.25Å; R318-Y320 VanDerWaalsContact O-N 3.17Å; R318-F321 VanDerWaalsContact CA-CE1 3.45Å; R318-F321 VanDerWaalsContact CA-CZ 3.49Å; R318-F321 HydrophobicContact CB-CE1 4.39Å; R318-F321 HydrophobicContact CB-CZ 4.04Å; R318-F321 HydrophobicContact CG-CE2 4.14Å; R318-F321 HydrophobicContact CG-CZ 4.03Å; R318-F321 PolarHBondContact O-N 3Å; R318-S322 WeakPolarHBondContact O-CB 3.43Å; R318-S322 PolarHBondContact O-N 3.26Å; R318-S322 PolarHBondContact O-OG 3.42Å; R318-R429 VanDerWaalsContact CZ-NH1 3.34Å; R318-E433 IonicContact CZ-OE2 3.29Å; R318-E433 VanDerWaalsContact CZ-OE2 3.31Å; R318-E433 IonicContact NE-OE2 3.12Å; R318-E433 PolarHBondContact NE-OE2 3.14Å; R318-E433 IonicContact NH2-OE2 3.7Å; R318-E433 PolarHBondContact NH2-OE2 3.13Å
319S90.9Very high95Very high36 Ų3630.1 Ų30.125%0.25214%0.143SC..Hα-helixtrans-65-17.2178.860.40000114.4Y317 Q323Y317-S319 VanDerWaalsContact C-N 3.33Å; Y317-S319 PolarHBondContact O-N 3.44Å; S319-Q323 WeakPolarHBondContact O-CG 3.3Å; S319-Q323 PolarHBondContact O-NE2 3.12Å
320Y92Very high95Very high54 Ų5430.3 Ų30.321%0.21214%0.143CC..Hα-helixtrans-84.6-45.6179.3-63.9-104.5000110.2H107 Y317 R318 F324 H340H107-Y320 AromaticContact CE1-CE2 3.68Å; H107-Y320 AromaticContact ND1-CE2 3.85Å; Y317-Y320 AromaticContact CD1-CD2 3.76Å; Y317-Y320 HydrophobicContact CD1-CD2 3.76Å; Y317-Y320 AromaticContact CD1-CE2 3.97Å; Y317-Y320 HydrophobicContact CD1-CE2 3.97Å; Y317-Y320 HydrophobicContact CD1-CG 4.1Å; Y317-Y320 WeakPolarHBondContact O-CA 3.31Å; Y317-Y320 VanDerWaalsContact O-CB 3.31Å; Y317-Y320 WeakPolarHBondContact O-CB 3.47Å; Y317-Y320 PolarHBondContact O-N 3.32Å; R318-Y320 PolarHBondContact O-N 3.25Å; R318-Y320 VanDerWaalsContact O-N 3.17Å; Y320-F324 WeakPolarHBondContact O-CD2 3.41Å; Y320-F324 WeakPolarHBondContact O-CE2 3.34Å; Y320-H340 AromaticContact CD1-CE1 3.65Å
321F94.6Very high95.1Very high6 Ų633 Ų333%0.02616%0.155CC..Hα-helixtrans-87.2-23.7-178.661.5-110.4000114.7A315 Y317 R318 Q323 F324 I327 V333 L430A315-F321 HydrophobicContact CB-CE1 4.15Å; A315-F321 HydrophobicContact CB-CZ 4.2Å; Y317-F321 WeakPolarHBondContact O-CD1 3.13Å; Y317-F321 WeakPolarHBondContact O-CE1 3.18Å; Y317-F321 PolarHBondContact O-N 2.98Å; R318-F321 VanDerWaalsContact CA-CE1 3.45Å; R318-F321 VanDerWaalsContact CA-CZ 3.49Å; R318-F321 HydrophobicContact CB-CE1 4.39Å; R318-F321 HydrophobicContact CB-CZ 4.04Å; R318-F321 HydrophobicContact CG-CE2 4.14Å; R318-F321 HydrophobicContact CG-CZ 4.03Å; R318-F321 PolarHBondContact O-N 3Å; F321-Q323 PolarHBondContact O-N 3.49Å; F321-F324 PolarHBondContact O-N 3.09Å; F321-I327 HydrophobicContact CB-CB 4.3Å; F321-I327 HydrophobicContact CB-CD1 4.21Å; F321-I327 HydrophobicContact CB-CG2 3.84Å; F321-V333 HydrophobicContact CD1-CG1 3.95Å; F321-V333 HydrophobicContact CD1-CG2 4.43Å; F321-V333 HydrophobicContact CD2-CG2 3.95Å; F321-V333 HydrophobicContact CE1-CG1 3.54Å; F321-V333 HydrophobicContact CE1-CG2 4.38Å; F321-V333 HydrophobicContact CE2-CG1 4.45Å; F321-V333 HydrophobicContact CE2-CG2 3.92Å; F321-V333 HydrophobicContact CG-CG2 4.22Å; F321-V333 HydrophobicContact CZ-CG1 3.82Å; F321-V333 HydrophobicContact CZ-CG2 4.12Å; F321-L430 HydrophobicContact CD2-CD1 3.9Å; F321-L430 HydrophobicContact CD2-CD2 4.12Å; F321-L430 HydrophobicContact CE2-CD1 3.77Å; F321-L430 HydrophobicContact CE2-CD2 3.96Å
322S93.8Very high95.1Very high4 Ų433.8 Ų33.83%0.02816%0.161CC..THydrogen-bonded Turntrans-66.6-4.6179.870.80000114R318 E433 Q434 I437R318-S322 WeakPolarHBondContact O-CB 3.43Å; R318-S322 PolarHBondContact O-N 3.26Å; R318-S322 PolarHBondContact O-OG 3.42Å; S322-E433 WeakPolarHBondContact CB-OE1 3.45Å; S322-E433 PolarHBondContact OG-OE1 3.5Å; S322-E433 VanDerWaalsContact OG-OE1 3.09Å; S322-Q434 WeakPolarHBondContact O-CG 3.29Å; S322-I437 WeakPolarHBondContact O-CD1 3.46Å
323Q91.9Very high95.2Very high82 Ų8233.9 Ų33.938%0.38316%0.162SC..THydrogen-bonded Turntrans-86.8-14.4175.6-50-17122.300113.2S319 F321S319-Q323 WeakPolarHBondContact O-CG 3.3Å; S319-Q323 PolarHBondContact O-NE2 3.12Å; F321-Q323 PolarHBondContact O-N 3.49Å
324F94.8Very high95.3Very high31 Ų3133.4 Ų33.414%0.13616%0.159CC..  trans-117.7112.4-169.6-57.7-69000112.2Y320 F321 K326 I327 V354 C380 Q434Y320-F324 WeakPolarHBondContact O-CD2 3.41Å; Y320-F324 WeakPolarHBondContact O-CE2 3.34Å; F321-F324 PolarHBondContact O-N 3.09Å; F324-K326 PolarHBondContact O-N 3.39Å; F324-K326 VanDerWaalsContact O-N 3.1Å; F324-I327 HydrophobicContact CB-CB 4.42Å; F324-I327 HydrophobicContact CB-CD1 3.79Å; F324-I327 HydrophobicContact CB-CG1 3.82Å; F324-I327 HydrophobicContact CD2-CD1 3.84Å; F324-I327 HydrophobicContact CG-CD1 4.13Å; F324-I327 PolarHBondContact O-N 3.22Å; F324-V354 HydrophobicContact CE2-CG1 4.08Å; F324-V354 HydrophobicContact CZ-CG1 4.14Å; F324-C380 HydrophobicContact CD1-CB 3.6Å; F324-C380 HydrophobicContact CE1-CB 3.74Å; F324-C380 HydrophobicContact CG-CB 4.01Å; F324-C380 HydrophobicContact CZ-CB 4.28Å; F324-Q434 PolarHBondContact O-NE2 2.97Å
325R93.8Very high95.5Very high140 Ų14033.1 Ų33.153%0.52816%0.157SC..THydrogen-bonded Turntrans-60.2-23.5-176.2-70.4178.2171.1-179.5-8.7115.4N328 H438R325-N328 PolarHBondContact O-ND2 2.98Å; R325-H438 PolarHBondContact NH2-CD2 2.78Å; R325-H438 PolarHBondContact NH2-NE2 3.23Å
326K95.2Very high95.7Very high111 Ų11132.8 Ų32.848%0.48315%0.154SC..THydrogen-bonded Turntrans-82.8-16178.9-69.2-57.9-171.8165.90113.4F324 N328 K381F324-K326 PolarHBondContact O-N 3.39Å; F324-K326 VanDerWaalsContact O-N 3.1Å; K326-N328 PolarHBondContact O-N 3.34Å; K326-K381 VanDerWaalsContact CE-O 3.27Å; K326-K381 WeakPolarHBondContact CE-O 3.25Å; K326-K381 WeakPolarHBondContact CG-O 3.29Å
327I96.9Very high95.9Very high1 Ų132 Ų321%0.00515%0.151CC..  trans-94.877.4176.6-45.2-177.4000106.7F321 F324 V333 H336 M384 L430 Q434F321-I327 HydrophobicContact CB-CB 4.3Å; F321-I327 HydrophobicContact CB-CD1 4.21Å; F321-I327 HydrophobicContact CB-CG2 3.84Å; F324-I327 HydrophobicContact CB-CB 4.42Å; F324-I327 HydrophobicContact CB-CD1 3.79Å; F324-I327 HydrophobicContact CB-CG1 3.82Å; F324-I327 HydrophobicContact CD2-CD1 3.84Å; F324-I327 HydrophobicContact CG-CD1 4.13Å; F324-I327 PolarHBondContact O-N 3.22Å; I327-V333 HydrophobicContact CG2-CG2 3.92Å; I327-H336 HydrophobicContact CD1-CB 4.04Å; I327-H336 WeakPolarHBondContact CD1-CD2 3.27Å; I327-H336 HydrophobicContact CG2-CB 4.25Å; I327-M384 HydrophobicContact CB-CE 4.4Å; I327-M384 HydrophobicContact CD1-CE 3.97Å; I327-M384 HydrophobicContact CD1-SD 4.46Å; I327-M384 HydrophobicContact CG1-CE 3.71Å; I327-M384 HydrophobicContact CG2-CE 4.1Å; I327-L430 WeakPolarHBondContact O-CD2 3.44Å; I327-Q434 PolarHBondContact O-NE2 3.42Å
328N96.1Very high96.1Very high54 Ų5431.9 Ų31.929%0.28915%0.151SC..  trans-1280.7-167.96028.5000114R325 K326 S332 I431R325-N328 PolarHBondContact O-ND2 2.98Å; K326-N328 PolarHBondContact O-N 3.34Å; N328-S332 PolarHBondContact N-OG 3.34Å; N328-I431 HydrophobicContact CB-CD1 4.28Å; N328-I431 HydrophobicContact CB-CG1 3.86Å
329T97.8Very high96.3Very high44 Ų4431.5 Ų31.527%0.2715%0.149SC..SBendtrans-116.6156.7170.963.70000110.5E331 S332 V333 E427T329-E331 PolarHBondContact O-N 3.05Å; T329-S332 PolarHBondContact N-OG 3.39Å; T329-S332 PolarHBondContact O-N 3.49Å; T329-S332 PolarHBondContact O-OG 2.97Å; T329-S332 WeakPolarHBondContact OG1-CB 3.48Å; T329-S332 PolarHBondContact OG1-N 3.42Å; T329-S332 VanDerWaalsContact OG1-N 3.11Å; T329-S332 PolarHBondContact OG1-OG 3.02Å; T329-V333 WeakPolarHBondContact O-CG2 3.5Å; T329-V333 PolarHBondContact O-N 3.41Å; T329-E427 WeakPolarHBondContact CA-OE1 3.25Å; T329-E427 WeakPolarHBondContact CB-OE1 3.3Å
330L97.7Very high96.7Very high16 Ų1629.9 Ų29.98%0.08414%0.138CC..Hα-helixtrans-64-31.6174.8-71.1-177.2000112.5P285 V333 D334 K423 I426 E427P285-L330 HydrophobicContact CB-CD1 3.34Å; L330-V333 PolarHBondContact O-N 3.12Å; L330-D334 PolarHBondContact O-N 3.31Å; L330-K423 HydrophobicContact CD1-CB 4.44Å; L330-K423 HydrophobicContact CD1-CD 4.47Å; L330-K423 HydrophobicContact CD1-CG 3.91Å; L330-K423 HydrophobicContact CG-CG 4.42Å; L330-I426 HydrophobicContact CD1-CD1 4.44Å; L330-I426 HydrophobicContact CD2-CG2 4.08Å; L330-E427 HydrophobicContact CG-CG 4.39Å; L330-E427 PolarHBondContact N-OE1 2.98Å
331E98.4Very high97Very high57 Ų5727.3 Ų27.327%0.26613%0.127SC..Hα-helixtrans-62.7-44173.3-69.675.5-167.700111.9H280 T329 D334 V335 K423H280-E331 HydrophobicContact CB-CG 4.47Å; T329-E331 PolarHBondContact O-N 3.05Å; E331-D334 PolarHBondContact O-N 3.02Å; E331-V335 WeakPolarHBondContact O-CG2 3.42Å; E331-V335 PolarHBondContact O-N 2.61Å; E331-K423 IonicContact OE1-NZ 2.61Å; E331-K423 PolarHBondContact OE1-NZ 3.24Å; E331-K423 WeakPolarHBondContact OE2-CE 3.47Å; E331-K423 IonicContact OE2-NZ 3.78Å; E331-K423 PolarHBondContact OE2-NZ 2.99Å
332S98.3Very high97.2Very high18 Ų1827 Ų2713%0.12613%0.126CC..Hα-helixtrans-70.5-33.7177.258.10000111.8N328 T329 V335 H336 M384N328-S332 PolarHBondContact N-OG 3.34Å; T329-S332 PolarHBondContact N-OG 3.39Å; T329-S332 PolarHBondContact O-N 3.49Å; T329-S332 PolarHBondContact O-OG 2.97Å; T329-S332 WeakPolarHBondContact OG1-CB 3.48Å; T329-S332 PolarHBondContact OG1-N 3.42Å; T329-S332 VanDerWaalsContact OG1-N 3.11Å; T329-S332 PolarHBondContact OG1-OG 3.02Å; S332-V335 PolarHBondContact O-N 2.64Å; S332-H336 WeakPolarHBondContact O-CB 3.45Å; S332-H336 PolarHBondContact O-N 3.24Å; S332-M384 WeakPolarHBondContact O-CE 3.3Å
333V98.4Very high97.4Very high2 Ų227.3 Ų27.31%0.01213%0.127CC..Hα-helixtrans-60.2-46.2170.2169.50000110.7F321 I327 T329 L330 V335 H336 C337 L430F321-V333 HydrophobicContact CD1-CG1 3.95Å; F321-V333 HydrophobicContact CD1-CG2 4.43Å; F321-V333 HydrophobicContact CD2-CG2 3.95Å; F321-V333 HydrophobicContact CE1-CG1 3.54Å; F321-V333 HydrophobicContact CE1-CG2 4.38Å; F321-V333 HydrophobicContact CE2-CG1 4.45Å; F321-V333 HydrophobicContact CE2-CG2 3.92Å; F321-V333 HydrophobicContact CG-CG2 4.22Å; F321-V333 HydrophobicContact CZ-CG1 3.82Å; F321-V333 HydrophobicContact CZ-CG2 4.12Å; I327-V333 HydrophobicContact CG2-CG2 3.92Å; T329-V333 WeakPolarHBondContact O-CG2 3.5Å; T329-V333 PolarHBondContact O-N 3.41Å; L330-V333 PolarHBondContact O-N 3.12Å; V333-V335 PolarHBondContact O-N 2.88Å; V333-H336 PolarHBondContact O-N 3.01Å; V333-C337 WeakPolarHBondContact O-CB 3.43Å; V333-C337 PolarHBondContact O-N 3.5Å; V333-C337 PolarHBondContact O-SG 3.4Å; V333-L430 HydrophobicContact CG2-CD2 4.05Å
334D98.8Very high97.7Very high1 Ų123.4 Ų23.41%0.00511%0.109CC..Hα-helixtrans-60.9-42.9178.1-75.6-30.8000111.9L276 H280 G287 L330 E331 C337 F338L276-D334 HydrophobicContact CD1-CB 4.39Å; L276-D334 HydrophobicContact CD2-CB 4.19Å; H280-D334 IonicContact CD2-OD2 2.96Å; H280-D334 IonicContact CE1-OD2 3.97Å; H280-D334 IonicContact NE2-OD2 3.79Å; H280-D334 PolarHBondContact NE2-OD2 2.96Å; G287-D334 VanDerWaalsContact CA-OD1 3.26Å; G287-D334 WeakPolarHBondContact CA-OD1 3.44Å; G287-D334 PolarHBondContact N-OD1 2.9Å; L330-D334 PolarHBondContact O-N 3.31Å; E331-D334 PolarHBondContact O-N 3.02Å; D334-C337 PolarHBondContact O-N 2.88Å; D334-F338 WeakPolarHBondContact O-CB 3.49Å; D334-F338 PolarHBondContact O-N 3.12Å
335V98.8Very high97.9Very high4 Ų421.9 Ų21.92%0.02410%0.102CC..Hα-helixtrans-64.8-43.3177171.60000111.9E331 S332 V333 F338 G339 T374 M384 P385 V387 L390E331-V335 WeakPolarHBondContact O-CG2 3.42Å; E331-V335 PolarHBondContact O-N 2.61Å; S332-V335 PolarHBondContact O-N 2.64Å; V333-V335 PolarHBondContact O-N 2.88Å; V335-F338 WeakPolarHBondContact O-CB 3.35Å; V335-F338 PolarHBondContact O-N 3.05Å; V335-G339 PolarHBondContact O-N 2.75Å; V335-T374 HydrophobicContact CG1-CG2 3.93Å; V335-M384 HydrophobicContact CG1-CB 3.64Å; V335-M384 HydrophobicContact CG1-CG 4.32Å; V335-M384 HydrophobicContact CG1-SD 4.03Å; V335-P385 WeakPolarHBondContact CG2-O 3.41Å; V335-V387 HydrophobicContact CG2-CG2 3.98Å; V335-L390 HydrophobicContact CG1-CD1 4.12Å; V335-L390 HydrophobicContact CG2-CD1 4.39Å
336H98.5Very high98.1Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-61.7-45.4175179.3-97.6000111.8I327 S332 V333 F338 G339 H340 M384I327-H336 HydrophobicContact CD1-CB 4.04Å; I327-H336 WeakPolarHBondContact CD1-CD2 3.27Å; I327-H336 HydrophobicContact CG2-CB 4.25Å; S332-H336 WeakPolarHBondContact O-CB 3.45Å; S332-H336 PolarHBondContact O-N 3.24Å; V333-H336 PolarHBondContact O-N 3.01Å; H336-F338 VanDerWaalsContact C-N 3.25Å; H336-F338 PolarHBondContact O-N 3.48Å; H336-G339 PolarHBondContact O-N 3.29Å; H336-H340 AromaticContact CE1-CD2 3.38Å; H336-H340 PolarHBondContact CE1-CD2 2.93Å; H336-H340 AromaticContact CE1-NE2 3.17Å; H336-H340 PolarHBondContact CE1-NE2 3.49Å; H336-H340 AromaticContact ND1-CD2 3.69Å; H336-H340 AromaticContact ND1-NE2 3.96Å; H336-H340 AromaticContact NE2-CD2 3.98Å; H336-H340 AromaticContact NE2-NE2 3.7Å; H336-H340 PolarHBondContact O-N 3.11Å; H336-H340 VanDerWaalsContact O-N 3.17Å; H336-M384 HydrophobicContact CB-CE 3.9Å; H336-M384 HydrophobicContact CB-SD 3.79Å
337C98.6Very high98.2Very high1 Ų112.2 Ų12.21%0.0076%0.064CC..Hα-helixtrans-64.4-32.3176.5-66.20000112L289 Y317 V333 D334 H340 L341L289-C337 HydrophobicContact CB-CB 3.75Å; L289-C337 HydrophobicContact CD2-CB 4.46Å; L289-C337 HydrophobicContact CG-CB 4.41Å; L289-C337 WeakPolarHBondContact O-CB 3.23Å; Y317-C337 HydrophobicContact CD2-CB 4.11Å; V333-C337 WeakPolarHBondContact O-CB 3.43Å; V333-C337 PolarHBondContact O-N 3.5Å; V333-C337 PolarHBondContact O-SG 3.4Å; D334-C337 PolarHBondContact O-N 2.88Å; C337-H340 PolarHBondContact O-N 3.39Å; C337-L341 WeakPolarHBondContact O-CB 3.25Å; C337-L341 PolarHBondContact O-N 3.32Å
338F98.9Very high98.3Very high0 Ų012.1 Ų12.10%06%0.064CC..Hα-helixtrans-64.9-41.6173.3179.2-98.6000111.3I272 L273 L289 D334 V335 H336 H340 L341 L342 V370 L390 F396I272-F338 HydrophobicContact CB-CE2 4.43Å; I272-F338 HydrophobicContact CG2-CD2 4Å; I272-F338 HydrophobicContact CG2-CE2 4.2Å; L273-F338 HydrophobicContact CD1-CE1 4.09Å; L273-F338 HydrophobicContact CD1-CE2 4.21Å; L273-F338 HydrophobicContact CD1-CZ 3.66Å; L273-F338 HydrophobicContact CD2-CD1 4.06Å; L273-F338 HydrophobicContact CD2-CD2 3.92Å; L273-F338 HydrophobicContact CD2-CE1 3.96Å; L273-F338 HydrophobicContact CD2-CE2 3.82Å; L273-F338 HydrophobicContact CD2-CG 4.03Å; L273-F338 HydrophobicContact CD2-CZ 3.84Å; L273-F338 HydrophobicContact CG-CD2 4.23Å; L273-F338 HydrophobicContact CG-CE1 4.21Å; L273-F338 HydrophobicContact CG-CE2 3.66Å; L273-F338 HydrophobicContact CG-CZ 3.63Å; L289-F338 HydrophobicContact CD2-CB 3.72Å; L289-F338 HydrophobicContact CD2-CD2 4.19Å; L289-F338 HydrophobicContact CD2-CG 4.49Å; D334-F338 WeakPolarHBondContact O-CB 3.49Å; D334-F338 PolarHBondContact O-N 3.12Å; V335-F338 WeakPolarHBondContact O-CB 3.35Å; V335-F338 PolarHBondContact O-N 3.05Å; H336-F338 VanDerWaalsContact C-N 3.25Å; H336-F338 PolarHBondContact O-N 3.48Å; F338-H340 PolarHBondContact O-N 2.92Å; F338-L341 PolarHBondContact O-N 2.89Å; F338-L342 HydrophobicContact CE1-CD2 4.36Å; F338-L342 WeakPolarHBondContact O-CB 3.25Å; F338-L342 PolarHBondContact O-N 3.15Å; F338-V370 HydrophobicContact CE1-CG1 4.1Å; F338-L390 HydrophobicContact CD1-CD1 3.95Å; F338-L390 HydrophobicContact CE1-CD1 4.28Å; F338-F396 AromaticContact CE1-CE2 3.97Å; F338-F396 HydrophobicContact CE1-CE2 3.97Å; F338-F396 HydrophobicContact CE1-CZ 4.02Å; F338-F396 HydrophobicContact CZ-CE1 4.46Å; F338-F396 AromaticContact CZ-CE2 3.84Å; F338-F396 HydrophobicContact CZ-CE2 3.84Å; F338-F396 AromaticContact CZ-CZ 3.55Å; F338-F396 HydrophobicContact CZ-CZ 3.55Å
339G98.6Very high98.2Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-55.9-48.5172.400000112.2V335 H336 L341 L342 Y343 L371 T374V335-G339 PolarHBondContact O-N 2.75Å; H336-G339 PolarHBondContact O-N 3.29Å; G339-L341 PolarHBondContact O-N 2.68Å; G339-L342 PolarHBondContact O-N 2.97Å; G339-Y343 WeakPolarHBondContact O-CB 3.31Å; G339-Y343 PolarHBondContact O-N 2.82Å; G339-L371 WeakPolarHBondContact O-CD2 3.46Å; G339-T374 WeakPolarHBondContact CA-OG1 3.36Å
340H98.6Very high98Very high1 Ų115.1 Ų15.11%0.0057%0.072CC..Hα-helixtrans-60-43.1175-85.9-84.7000113Y317 Y320 H336 C337 F338 Y343 E344 V354Y317-H340 HydrophobicContact CD2-CB 4.32Å; Y317-H340 HydrophobicContact CE1-CB 4.14Å; Y317-H340 AromaticContact CE1-CG 3.97Å; Y317-H340 AromaticContact CE1-ND1 3.82Å; Y317-H340 HydrophobicContact CE2-CB 3.71Å; Y317-H340 AromaticContact CZ-CG 3.98Å; Y320-H340 AromaticContact CD1-CE1 3.65Å; H336-H340 AromaticContact CE1-CD2 3.38Å; H336-H340 PolarHBondContact CE1-CD2 2.93Å; H336-H340 AromaticContact CE1-NE2 3.17Å; H336-H340 PolarHBondContact CE1-NE2 3.49Å; H336-H340 AromaticContact ND1-CD2 3.69Å; H336-H340 AromaticContact ND1-NE2 3.96Å; H336-H340 AromaticContact NE2-CD2 3.98Å; H336-H340 AromaticContact NE2-NE2 3.7Å; H336-H340 PolarHBondContact O-N 3.11Å; H336-H340 VanDerWaalsContact O-N 3.17Å; C337-H340 PolarHBondContact O-N 3.39Å; F338-H340 PolarHBondContact O-N 2.92Å; H340-Y343 PolarHBondContact O-N 3.42Å; H340-E344 PolarHBondContact O-N 2.99Å; H340-V354 VanDerWaalsContact CE1-CG2 3.4Å; H340-V354 WeakPolarHBondContact CE1-CG2 3.3Å
341L98.7Very high97.9Very high0 Ų014.8 Ų14.80%07%0.071CC..Hα-helixtrans-63.6-46.1178.1-175.5155.7000110.8L234 I272 L289 T291 V294 C337 F338 G339 Y343 E344 M345L234-L341 HydrophobicContact CD2-CD2 4.33Å; I272-L341 HydrophobicContact CD1-CD1 4.01Å; I272-L341 HydrophobicContact CD1-CD2 3.71Å; L289-L341 HydrophobicContact CD1-CD1 3.65Å; L289-L341 HydrophobicContact CD2-CD1 4.41Å; L289-L341 HydrophobicContact CG-CD1 3.81Å; T291-L341 HydrophobicContact CG2-CG 3.92Å; V294-L341 HydrophobicContact CG2-CD1 3.95Å; C337-L341 WeakPolarHBondContact O-CB 3.25Å; C337-L341 PolarHBondContact O-N 3.32Å; F338-L341 PolarHBondContact O-N 2.89Å; G339-L341 PolarHBondContact O-N 2.68Å; L341-Y343 VanDerWaalsContact C-N 3.31Å; L341-Y343 PolarHBondContact O-N 3.34Å; L341-E344 PolarHBondContact O-N 2.85Å; L341-M345 HydrophobicContact CD2-CE 3.58Å; L341-M345 HydrophobicContact CD2-CG 3.9Å; L341-M345 HydrophobicContact CD2-SD 3.6Å; L341-M345 WeakPolarHBondContact O-CG 3.4Å; L341-M345 PolarHBondContact O-N 3.15Å
342L98.8Very high97.6Very high0 Ų018.8 Ų18.80%09%0.094CC..Hα-helixtrans-61.9-40.5177-179.461.7000111.5I265 F338 G339 M345 T346 V367 V370 L371 L395I265-L342 HydrophobicContact CG2-CD1 3.5Å; I265-L342 VanDerWaalsContact CG2-CD1 3.5Å; F338-L342 HydrophobicContact CE1-CD2 4.36Å; F338-L342 WeakPolarHBondContact O-CB 3.25Å; F338-L342 PolarHBondContact O-N 3.15Å; G339-L342 PolarHBondContact O-N 2.97Å; L342-M345 HydrophobicContact CB-CE 4.42Å; L342-M345 HydrophobicContact CD1-CE 3.68Å; L342-M345 PolarHBondContact O-N 3.1Å; L342-T346 WeakPolarHBondContact O-CB 3.32Å; L342-T346 PolarHBondContact O-N 3.33Å; L342-T346 PolarHBondContact O-OG1 2.95Å; L342-V367 HydrophobicContact CD1-CG1 4.49Å; L342-V367 HydrophobicContact CG-CG1 4.49Å; L342-V370 HydrophobicContact CD2-CB 3.73Å; L342-V370 HydrophobicContact CD2-CG1 3.37Å; L342-L371 HydrophobicContact CB-CD2 3.94Å; L342-L371 HydrophobicContact CD2-CD2 3.89Å; L342-L371 HydrophobicContact CD2-CG 4.04Å; L342-L371 HydrophobicContact CG-CD2 3.81Å; L342-L371 HydrophobicContact CG-CG 4.24Å; L342-L395 HydrophobicContact CD1-CD2 4.35Å; L342-L395 HydrophobicContact CD2-CD2 4.22Å
343Y98.7Very high97.2Very high10 Ų1021.8 Ų21.84%0.03912%0.115CC..Hα-helixtrans-59.9-49.2174.6-171.1-75.5000110.4G339 H340 L341 M345 T346 Y347 R349 P351 F359 L371 L375G339-Y343 WeakPolarHBondContact O-CB 3.31Å; G339-Y343 PolarHBondContact O-N 2.82Å; H340-Y343 PolarHBondContact O-N 3.42Å; L341-Y343 VanDerWaalsContact C-N 3.31Å; L341-Y343 PolarHBondContact O-N 3.34Å; Y343-M345 PolarHBondContact O-N 3.43Å; Y343-T346 PolarHBondContact O-N 3.25Å; Y343-T346 VanDerWaalsContact O-N 3.1Å; Y343-Y347 AromaticContact CD1-CD2 3.6Å; Y343-Y347 HydrophobicContact CD1-CD2 3.6Å; Y343-Y347 HydrophobicContact CD1-CE2 4.36Å; Y343-Y347 AromaticContact CD2-CD2 3.69Å; Y343-Y347 HydrophobicContact CD2-CD2 3.69Å; Y343-Y347 AromaticContact CD2-CE2 3.59Å; Y343-Y347 HydrophobicContact CD2-CE2 3.59Å; Y343-Y347 AromaticContact CE1-CD2 3.48Å; Y343-Y347 HydrophobicContact CE1-CD2 3.48Å; Y343-Y347 VanDerWaalsContact CE1-CD2 3.48Å; Y343-Y347 HydrophobicContact CE1-CE2 4.29Å; Y343-Y347 HydrophobicContact CE1-CG 4.15Å; Y343-Y347 AromaticContact CE2-CD2 3.59Å; Y343-Y347 HydrophobicContact CE2-CD2 3.59Å; Y343-Y347 AromaticContact CE2-CE2 3.53Å; Y343-Y347 HydrophobicContact CE2-CE2 3.53Å; Y343-Y347 AromaticContact CG-CD2 3.69Å; Y343-Y347 HydrophobicContact CG-CD2 3.69Å; Y343-Y347 HydrophobicContact CG-CE2 4.01Å; Y343-Y347 AromaticContact CZ-CD2 3.48Å; Y343-Y347 VanDerWaalsContact CZ-CD2 3.48Å; Y343-Y347 AromaticContact CZ-CE2 3.89Å; Y343-Y347 VanDerWaalsContact O-CD2 3.27Å; Y343-Y347 WeakPolarHBondContact O-CD2 3.49Å; Y343-Y347 PolarHBondContact O-N 3.45Å; Y343-R349 VanDerWaalsContact CD1-O 3.24Å; Y343-R349 WeakPolarHBondContact CD1-O 3.28Å; Y343-R349 WeakPolarHBondContact CE1-O 3.42Å; Y343-P351 HydrophobicContact CD1-CB 4.04Å; Y343-P351 HydrophobicContact CD1-CG 4.27Å; Y343-P351 HydrophobicContact CD2-CB 4.2Å; Y343-P351 VanDerWaalsContact CE1-CA 3.47Å; Y343-P351 HydrophobicContact CE1-CB 3.87Å; Y343-P351 VanDerWaalsContact CE1-N 3.34Å; Y343-P351 HydrophobicContact CE2-CB 4.02Å; Y343-P351 HydrophobicContact CG-CB 4.22Å; Y343-P351 HydrophobicContact CG-CG 4.35Å; Y343-F359 HydrophobicContact CD2-CD1 4.26Å; Y343-F359 HydrophobicContact CD2-CE1 4.21Å; Y343-F359 HydrophobicContact CE2-CD1 4.07Å; Y343-F359 HydrophobicContact CE2-CE1 4.31Å; Y343-L371 HydrophobicContact CD2-CD1 4.45Å; Y343-L371 HydrophobicContact CD2-CD2 4.5Å; Y343-L375 HydrophobicContact CD2-CD1 4.32Å
344E98.3Very high96.9Very high0 Ų022.8 Ų22.80%012%0.121CC..Hα-helixtrans-65.5-38-179.9-168.2172.1-153.400112.4K235 I238 Y239 T291 H340 L341 T346 G348 R349K235-E344 IonicContact NZ-OE1 3.04Å; K235-E344 PolarHBondContact NZ-OE1 3.04Å; K235-E344 IonicContact NZ-OE2 3.01Å; I238-E344 HydrophobicContact CD1-CG 4.27Å; Y239-E344 HydrophobicContact CE2-CG 4.47Å; Y239-E344 WeakPolarHBondContact CE2-OE1 3.29Å; Y239-E344 PolarHBondContact OH-OE1 3.17Å; T291-E344 WeakPolarHBondContact CB-OE2 3.29Å; T291-E344 HydrophobicContact CG2-CB 4.1Å; T291-E344 HydrophobicContact CG2-CG 4.1Å; T291-E344 WeakPolarHBondContact CG2-OE2 3.45Å; T291-E344 PolarHBondContact OG1-OE2 3.4Å; H340-E344 PolarHBondContact O-N 2.99Å; L341-E344 PolarHBondContact O-N 2.85Å; E344-T346 VanDerWaalsContact C-N 3.29Å; E344-T346 PolarHBondContact O-N 3.34Å; E344-G348 WeakPolarHBondContact O-CA 3.49Å; E344-G348 PolarHBondContact O-N 2.88Å; E344-R349 WeakPolarHBondContact CA-O 3.5Å
345M98.6Very high96.8Very high0 Ų024.9 Ų24.90%014%0.135CC..Hα-helixtrans-60.9-38.9171-71.8-167-5300112L234 I238 G259 L260 I265 L341 L342 Y343L234-M345 HydrophobicContact CD2-CG 3.9Å; L234-M345 HydrophobicContact CD2-SD 3.8Å; I238-M345 HydrophobicContact CD1-CG 4.46Å; G259-M345 CarbonylContact C-O 3.58Å; G259-M345 WeakPolarHBondContact CA-O 3.43Å; L260-M345 HydrophobicContact CD1-CB 3.87Å; L260-M345 HydrophobicContact CD1-CG 3.76Å; L260-M345 HydrophobicContact CD1-SD 4.01Å; L260-M345 HydrophobicContact CG-CB 4.38Å; L260-M345 PolarHBondContact N-O 2.9Å; I265-M345 HydrophobicContact CG1-CB 4.42Å; I265-M345 HydrophobicContact CG2-CE 4.45Å; L341-M345 HydrophobicContact CD2-CE 3.58Å; L341-M345 HydrophobicContact CD2-CG 3.9Å; L341-M345 HydrophobicContact CD2-SD 3.6Å; L341-M345 WeakPolarHBondContact O-CG 3.4Å; L341-M345 PolarHBondContact O-N 3.15Å; L342-M345 HydrophobicContact CB-CE 4.42Å; L342-M345 HydrophobicContact CD1-CE 3.68Å; L342-M345 PolarHBondContact O-N 3.1Å; Y343-M345 PolarHBondContact O-N 3.43Å
346T98.4Very high96.6Very high13 Ų1325.3 Ų25.38%0.0814%0.138CC..Hα-helixtrans-76.1-49.7-175-56.40000111.7L342 Y343 E344 A362 P363 V367L342-T346 WeakPolarHBondContact O-CB 3.32Å; L342-T346 PolarHBondContact O-N 3.33Å; L342-T346 PolarHBondContact O-OG1 2.95Å; Y343-T346 PolarHBondContact O-N 3.25Å; Y343-T346 VanDerWaalsContact O-N 3.1Å; E344-T346 VanDerWaalsContact C-N 3.29Å; E344-T346 PolarHBondContact O-N 3.34Å; T346-A362 HydrophobicContact CG2-CB 4.27Å; T346-P363 HydrophobicContact CG2-CG 4.5Å; T346-V367 HydrophobicContact CG2-CG1 3.89Å; T346-V367 WeakPolarHBondContact OG1-CG1 3.07Å
347Y97.6Very high96.3Very high34 Ų3430.5 Ų30.513%0.13317%0.165CC..Hα-helixtrans-103.3-3.2-169.9-55-67.9000113.6Y343 R349 P360 A362 L371Y343-Y347 AromaticContact CD1-CD2 3.6Å; Y343-Y347 HydrophobicContact CD1-CD2 3.6Å; Y343-Y347 HydrophobicContact CD1-CE2 4.36Å; Y343-Y347 AromaticContact CD2-CD2 3.69Å; Y343-Y347 HydrophobicContact CD2-CD2 3.69Å; Y343-Y347 AromaticContact CD2-CE2 3.59Å; Y343-Y347 HydrophobicContact CD2-CE2 3.59Å; Y343-Y347 AromaticContact CE1-CD2 3.48Å; Y343-Y347 HydrophobicContact CE1-CD2 3.48Å; Y343-Y347 VanDerWaalsContact CE1-CD2 3.48Å; Y343-Y347 HydrophobicContact CE1-CE2 4.29Å; Y343-Y347 HydrophobicContact CE1-CG 4.15Å; Y343-Y347 AromaticContact CE2-CD2 3.59Å; Y343-Y347 HydrophobicContact CE2-CD2 3.59Å; Y343-Y347 AromaticContact CE2-CE2 3.53Å; Y343-Y347 HydrophobicContact CE2-CE2 3.53Å; Y343-Y347 AromaticContact CG-CD2 3.69Å; Y343-Y347 HydrophobicContact CG-CD2 3.69Å; Y343-Y347 HydrophobicContact CG-CE2 4.01Å; Y343-Y347 AromaticContact CZ-CD2 3.48Å; Y343-Y347 VanDerWaalsContact CZ-CD2 3.48Å; Y343-Y347 AromaticContact CZ-CE2 3.89Å; Y343-Y347 VanDerWaalsContact O-CD2 3.27Å; Y343-Y347 WeakPolarHBondContact O-CD2 3.49Å; Y343-Y347 PolarHBondContact O-N 3.45Å; Y347-R349 PolarHBondContact O-N 3.32Å; Y347-P360 HydrophobicContact CD1-CB 4.04Å; Y347-P360 HydrophobicContact CD1-CG 4.21Å; Y347-P360 HydrophobicContact CE1-CB 3.76Å; Y347-P360 HydrophobicContact CE1-CG 4.08Å; Y347-P360 PolarHBondContact OH-O 3.49Å; Y347-A362 HydrophobicContact CE1-CB 4.43Å; Y347-L371 HydrophobicContact CE2-CD1 3.81Å
348G97.1Very high96Very high0 Ų035.5 Ų35.50%020%0.2CC..SBendtrans72.27.1-179.200000114.7I238 E344I238-G348 WeakPolarHBondContact CG2-O 3.47Å; E344-G348 WeakPolarHBondContact O-CA 3.49Å; E344-G348 PolarHBondContact O-N 2.88Å
349R95.1Very high95.8Very high113 Ų11336.9 Ų36.943%0.42621%0.206SC..SBendtrans-151154.6-179.164.4-179.9-177171.84110.6I257 Y343 E344 Y347I257-R349 HydrophobicContact CD1-CB 4.4Å; Y343-R349 VanDerWaalsContact CD1-O 3.24Å; Y343-R349 WeakPolarHBondContact CD1-O 3.28Å; Y343-R349 WeakPolarHBondContact CE1-O 3.42Å; E344-R349 WeakPolarHBondContact CA-O 3.5Å; Y347-R349 PolarHBondContact O-N 3.32Å
350P94.3Very high95.6Very high47 Ų4739 Ų3931%0.30522%0.22SC..  trans-65.5160.7172.230-37.3000111.3Y239Y239-P350 VanDerWaalsContact OH-CD 3.32Å; Y239-P350 WeakPolarHBondContact OH-CD 3.46Å
351P94.8Very high95.4Very high9 Ų945.2 Ų45.26%0.05826%0.261CS..  trans-66.4144.1170.629.1-33.9000110.6Y343 S353 V354 V356Y343-P351 HydrophobicContact CD1-CB 4.04Å; Y343-P351 HydrophobicContact CD1-CG 4.27Å; Y343-P351 HydrophobicContact CD2-CB 4.2Å; Y343-P351 VanDerWaalsContact CE1-CA 3.47Å; Y343-P351 HydrophobicContact CE1-CB 3.87Å; Y343-P351 VanDerWaalsContact CE1-N 3.34Å; Y343-P351 HydrophobicContact CE2-CB 4.02Å; Y343-P351 HydrophobicContact CG-CB 4.22Å; Y343-P351 HydrophobicContact CG-CG 4.35Å; P351-S353 VanDerWaalsContact C-N 3.27Å; P351-S353 PolarHBondContact O-N 3.46Å; P351-V354 HydrophobicContact CB-CG2 4.41Å; P351-V354 HydrophobicContact CG-CG2 3.88Å; P351-V356 HydrophobicContact CB-CG2 3.98Å
352D91.1Very high95.2Very high142 Ų14246.7 Ų46.776%0.75927%0.273SS*.SBendtrans-64.1-35.1178.5-64.7-38.7000111.7
353S91.2Very high94.9Very high80 Ų8050 Ų5056%0.55929%0.294SS*.SBendtrans-153.1159174.360.80000111.2P351 V356P351-S353 VanDerWaalsContact C-N 3.27Å; P351-S353 PolarHBondContact O-N 3.46Å; S353-V356 WeakPolarHBondContact O-CG2 3.48Å
354V92.2Very high94.8Very high23 Ų2351.3 Ų51.314%0.13931%0.305CS..SBendtrans-124.8138.1169.7174.90000107.9F324 H340 P351 V356 L375F324-V354 HydrophobicContact CE2-CG1 4.08Å; F324-V354 HydrophobicContact CZ-CG1 4.14Å; H340-V354 VanDerWaalsContact CE1-CG2 3.4Å; H340-V354 WeakPolarHBondContact CE1-CG2 3.3Å; P351-V354 HydrophobicContact CB-CG2 4.41Å; P351-V354 HydrophobicContact CG-CG2 3.88Å; V354-V356 HydrophobicContact CG2-CG2 4.33Å; V354-L375 HydrophobicContact CG1-CD2 4.4Å; V354-L375 HydrophobicContact CG2-CD2 4.41Å
355P95.6Very high94.8Very high46 Ų4657.9 Ų57.930%0.29934%0.337SS..SBendcis-70.7161.76.930.1-35.3000114.9L375 C377P355-L375 CarbonylContact C-O 3.58Å; P355-L375 WeakPolarHBondContact CA-O 3.42Å; P355-L375 WeakPolarHBondContact CB-O 3.34Å; P355-C377 HydrophobicContact CB-CB 3.99Å; P355-C377 HydrophobicContact CG-CB 4.02Å
356V94.9Very high94.7Very high13 Ų1359 Ų598%0.07935%0.346CS..  trans-120.8111176.4-174.60000109.2P351 S353 V354 S358 F359 L375 S376P351-V356 HydrophobicContact CB-CG2 3.98Å; S353-V356 WeakPolarHBondContact O-CG2 3.48Å; V354-V356 HydrophobicContact CG2-CG2 4.33Å; V356-S358 WeakPolarHBondContact CG1-O 3.46Å; V356-F359 HydrophobicContact CB-CE1 3.81Å; V356-F359 HydrophobicContact CB-CZ 3.83Å; V356-F359 HydrophobicContact CG1-CD1 3.72Å; V356-F359 HydrophobicContact CG1-CD2 4.47Å; V356-F359 HydrophobicContact CG1-CE1 3.42Å; V356-F359 VanDerWaalsContact CG1-CE1 3.42Å; V356-F359 HydrophobicContact CG1-CE2 4.2Å; V356-F359 HydrophobicContact CG1-CG 4.25Å; V356-F359 HydrophobicContact CG1-CZ 3.69Å; V356-F359 WeakPolarHBondContact O-CE2 3.45Å; V356-F359 WeakPolarHBondContact O-CZ 3.48Å; V356-L375 PolarHBondContact N-O 3.09Å; V356-S376 WeakPolarHBondContact O-CA 3.18Å
357D92.2Very high94.7Very high109 Ų10958.3 Ų58.358%0.58334%0.342SS*.SBendtrans-106-6.5179-60.6-42.8000112.8C377D357-C377 WeakPolarHBondContact OD1-CB 3.21Å; D357-C377 PolarHBondContact OD1-N 2.96Å; D357-C377 WeakPolarHBondContact OD2-CB 3.38Å
358S93.3Very high94.7Very high105 Ų10557.4 Ų57.473%0.73434%0.34SS*.SBendtrans-136.2121.2174.4-175.40000109.3V356V356-S358 WeakPolarHBondContact CG1-O 3.46Å
359F94Very high94.8Very high29 Ų2959.3 Ų59.313%0.12736%0.355CS..PPolyproline II helixtrans-102.3140.9-177.2-65.5-84.1000110.5Y343 V356 V368 L371 E372Y343-F359 HydrophobicContact CD2-CD1 4.26Å; Y343-F359 HydrophobicContact CD2-CE1 4.21Å; Y343-F359 HydrophobicContact CE2-CD1 4.07Å; Y343-F359 HydrophobicContact CE2-CE1 4.31Å; V356-F359 HydrophobicContact CB-CE1 3.81Å; V356-F359 HydrophobicContact CB-CZ 3.83Å; V356-F359 HydrophobicContact CG1-CD1 3.72Å; V356-F359 HydrophobicContact CG1-CD2 4.47Å; V356-F359 HydrophobicContact CG1-CE1 3.42Å; V356-F359 VanDerWaalsContact CG1-CE1 3.42Å; V356-F359 HydrophobicContact CG1-CE2 4.2Å; V356-F359 HydrophobicContact CG1-CG 4.25Å; V356-F359 HydrophobicContact CG1-CZ 3.69Å; V356-F359 WeakPolarHBondContact O-CE2 3.45Å; V356-F359 WeakPolarHBondContact O-CZ 3.48Å; F359-V368 HydrophobicContact CB-CG1 4.45Å; F359-V368 HydrophobicContact CD2-CG1 4.06Å; F359-V368 HydrophobicContact CG-CG1 4.42Å; F359-L371 HydrophobicContact CD1-CB 4.07Å; F359-L371 HydrophobicContact CD1-CD1 3.93Å; F359-L371 HydrophobicContact CE1-CB 3.52Å; F359-L371 HydrophobicContact CE1-CD1 4.1Å; F359-L371 HydrophobicContact CE1-CG 4.34Å; F359-L371 HydrophobicContact CE2-CB 4.49Å; F359-L371 HydrophobicContact CZ-CB 3.77Å; F359-E372 HydrophobicContact CD2-CG 3.97Å; F359-E372 HydrophobicContact CE2-CB 4.36Å; F359-E372 HydrophobicContact CE2-CG 3.43Å; F359-E372 VanDerWaalsContact CE2-CG 3.43Å; F359-E372 HydrophobicContact CZ-CG 4.33Å
360P94.1Very high94.9Very high44 Ų4454 Ų5429%0.28634%0.335SS..PPolyproline II helixtrans-58.5162.9167.4-1931.1000111.3Y347 A362Y347-P360 HydrophobicContact CD1-CB 4.04Å; Y347-P360 HydrophobicContact CD1-CG 4.21Å; Y347-P360 HydrophobicContact CE1-CB 3.76Å; Y347-P360 HydrophobicContact CE1-CG 4.08Å; Y347-P360 PolarHBondContact OH-O 3.49Å; P360-A362 PolarHBondContact O-N 3.02Å
361P94.4Very high95.1Very high133 Ų13351.7 Ų51.786%0.86432%0.321SS*.PPolyproline II helixtrans-52.6125.4174.9-2735.4000112
362A94.5Very high95.3Very high31 Ų3155.6 Ų55.626%0.25634%0.338SS..  trans-110.2157.8-178.200000110.7T346 Y347 P360 S364 V368T346-A362 HydrophobicContact CG2-CB 4.27Å; Y347-A362 HydrophobicContact CE1-CB 4.43Å; P360-A362 PolarHBondContact O-N 3.02Å; A362-S364 PolarHBondContact O-N 3.27Å; A362-V368 HydrophobicContact CB-CG2 3.6Å
363P93.3Very high95.6Very high70 Ų7050.3 Ų50.346%0.45531%0.313SS..SBendtrans-68.4-12.6179.427.5-35.4000114.2L262 I265 T346L262-P363 HydrophobicContact CB-CB 4.27Å; L262-P363 HydrophobicContact CD1-CG 4.34Å; I265-P363 HydrophobicContact CD1-CG 4.06Å; T346-P363 HydrophobicContact CG2-CG 4.5Å
364S96.5Very high95.9Very high37 Ų3746.5 Ų46.526%0.25929%0.286SS..  trans-159.4144.2176.81750000111.4A362 A366 V367A362-S364 PolarHBondContact O-N 3.27Å; S364-A366 PolarHBondContact O-N 2.98Å; S364-A366 PolarHBondContact OG-N 3.49Å; S364-V367 WeakPolarHBondContact O-CB 3.43Å; S364-V367 PolarHBondContact O-N 3.15Å; S364-V367 VanDerWaalsContact O-N 3.09Å
365M96.9Very high96.2Very high138 Ų13845.4 Ų45.468%0.6828%0.279SS*.Hα-helixtrans-62.1-26.3172.4-71.1-50.9-47.900113.2V367 V368 A369M365-V367 VanDerWaalsContact C-N 3.25Å; M365-V367 PolarHBondContact O-N 2.8Å; M365-V368 HydrophobicContact CE-CB 4.02Å; M365-V368 HydrophobicContact CE-CG1 4.24Å; M365-V368 HydrophobicContact CE-CG2 4.32Å; M365-V368 PolarHBondContact O-N 3.32Å; M365-A369 PolarHBondContact O-N 3.44Å
366A97.9Very high96.2Very high22 Ų2244 Ų4418%0.18227%0.27CS..Hα-helixtrans-65.7-30.6175.400000112.1S364 V370 P394 L395S364-A366 PolarHBondContact O-N 2.98Å; S364-A366 PolarHBondContact OG-N 3.49Å; A366-V370 WeakPolarHBondContact O-CG2 3.43Å; A366-V370 PolarHBondContact O-N 3.19Å; A366-P394 HydrophobicContact CB-CB 4.46Å; A366-L395 HydrophobicContact CB-CB 4Å; A366-L395 HydrophobicContact CB-CD1 4.07Å
367V98.1Very high96.3Very high0 Ų044.9 Ų44.90%028%0.277CS..Hα-helixtrans-66.6-48.1172.8178.30000110.4L262 I265 L342 T346 S364 M365 A369 V370 L371 L395L262-V367 HydrophobicContact CD1-CG2 3.94Å; I265-V367 HydrophobicContact CG2-CG2 4.21Å; L342-V367 HydrophobicContact CD1-CG1 4.49Å; L342-V367 HydrophobicContact CG-CG1 4.49Å; T346-V367 HydrophobicContact CG2-CG1 3.89Å; T346-V367 WeakPolarHBondContact OG1-CG1 3.07Å; S364-V367 WeakPolarHBondContact O-CB 3.43Å; S364-V367 PolarHBondContact O-N 3.15Å; S364-V367 VanDerWaalsContact O-N 3.09Å; M365-V367 VanDerWaalsContact C-N 3.25Å; M365-V367 PolarHBondContact O-N 2.8Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 3.38Å; V367-V370 PolarHBondContact O-N 2.97Å; V367-L371 HydrophobicContact CG1-CD1 3.96Å; V367-L371 HydrophobicContact CG1-CG 4.39Å; V367-L371 WeakPolarHBondContact O-CG 3.16Å; V367-L371 PolarHBondContact O-N 3.24Å; V367-L395 HydrophobicContact CB-CD2 4.45Å; V367-L395 HydrophobicContact CG2-CD1 3.57Å; V367-L395 HydrophobicContact CG2-CD2 4.04Å; V367-L395 HydrophobicContact CG2-CG 4.49Å
368V97.8Very high96.4Very high15 Ų1546.1 Ų46.19%0.09128%0.279CS..Hα-helixtrans-59.4-45.4179.4-177.10000110.8F359 A362 M365 V370 L371 E372F359-V368 HydrophobicContact CB-CG1 4.45Å; F359-V368 HydrophobicContact CD2-CG1 4.06Å; F359-V368 HydrophobicContact CG-CG1 4.42Å; A362-V368 HydrophobicContact CB-CG2 3.6Å; M365-V368 HydrophobicContact CE-CB 4.02Å; M365-V368 HydrophobicContact CE-CG1 4.24Å; M365-V368 HydrophobicContact CE-CG2 4.32Å; M365-V368 PolarHBondContact O-N 3.32Å; V368-V370 VanDerWaalsContact C-N 3.31Å; V368-V370 PolarHBondContact O-N 3.05Å; V368-L371 PolarHBondContact O-N 2.83Å; V368-L371 VanDerWaalsContact O-N 3.09Å; V368-E372 HydrophobicContact CG1-CG 4.15Å; V368-E372 WeakPolarHBondContact CG1-OE1 3.33Å; V368-E372 WeakPolarHBondContact O-CB 3.49Å; V368-E372 WeakPolarHBondContact O-CG 3.43Å; V368-E372 PolarHBondContact O-N 3.43Å
369A97.9Very high96.5Very high39 Ų3941.4 Ų41.432%0.32225%0.247SC..Hα-helixtrans-58.7-39.5178.800000113.3M365 V367 S373 M393M365-A369 PolarHBondContact O-N 3.44Å; V367-A369 VanDerWaalsContact C-N 3.34Å; V367-A369 PolarHBondContact O-N 3.38Å; A369-S373 WeakPolarHBondContact O-CB 3.44Å; A369-S373 PolarHBondContact O-N 3.23Å; A369-S373 VanDerWaalsContact O-N 3.11Å; A369-S373 PolarHBondContact O-OG 3.46Å; A369-M393 HydrophobicContact CB-CE 4.37Å
370V98.4Very high96.4Very high1 Ų140.2 Ų40.21%0.00624%0.242CC..Hα-helixtrans-68.5-43.7175.2177.60000110.8F338 L342 A366 V367 V368 S373 T374 L390 M393 L395 F396F338-V370 HydrophobicContact CE1-CG1 4.1Å; L342-V370 HydrophobicContact CD2-CB 3.73Å; L342-V370 HydrophobicContact CD2-CG1 3.37Å; A366-V370 WeakPolarHBondContact O-CG2 3.43Å; A366-V370 PolarHBondContact O-N 3.19Å; V367-V370 PolarHBondContact O-N 2.97Å; V368-V370 VanDerWaalsContact C-N 3.31Å; V368-V370 PolarHBondContact O-N 3.05Å; V370-S373 PolarHBondContact O-N 3.46Å; V370-S373 PolarHBondContact O-OG 3.32Å; V370-T374 WeakPolarHBondContact O-CG2 3.09Å; V370-T374 PolarHBondContact O-N 2.96Å; V370-T374 PolarHBondContact O-OG1 3.29Å; V370-L390 HydrophobicContact CG1-CD2 4.11Å; V370-M393 HydrophobicContact CB-CE 4.22Å; V370-M393 HydrophobicContact CG2-CB 4.27Å; V370-M393 HydrophobicContact CG2-CE 3.57Å; V370-M393 HydrophobicContact CG2-SD 3.87Å; V370-L395 HydrophobicContact CB-CD2 4.27Å; V370-L395 HydrophobicContact CG2-CB 3.98Å; V370-L395 HydrophobicContact CG2-CD2 3.82Å; V370-F396 HydrophobicContact CG1-CE2 4.17Å; V370-F396 HydrophobicContact CG2-CE2 4.06Å
371L98.4Very high96.3Very high0 Ų044.5 Ų44.50%026%0.256CS..Hα-helixtrans-62.6-44177.9-69.8174.6000112.2G339 L342 Y343 Y347 F359 V367 V368 S373 T374 L375G339-L371 WeakPolarHBondContact O-CD2 3.46Å; L342-L371 HydrophobicContact CB-CD2 3.94Å; L342-L371 HydrophobicContact CD2-CD2 3.89Å; L342-L371 HydrophobicContact CD2-CG 4.04Å; L342-L371 HydrophobicContact CG-CD2 3.81Å; L342-L371 HydrophobicContact CG-CG 4.24Å; Y343-L371 HydrophobicContact CD2-CD1 4.45Å; Y343-L371 HydrophobicContact CD2-CD2 4.5Å; Y347-L371 HydrophobicContact CE2-CD1 3.81Å; F359-L371 HydrophobicContact CD1-CB 4.07Å; F359-L371 HydrophobicContact CD1-CD1 3.93Å; F359-L371 HydrophobicContact CE1-CB 3.52Å; F359-L371 HydrophobicContact CE1-CD1 4.1Å; F359-L371 HydrophobicContact CE1-CG 4.34Å; F359-L371 HydrophobicContact CE2-CB 4.49Å; F359-L371 HydrophobicContact CZ-CB 3.77Å; V367-L371 HydrophobicContact CG1-CD1 3.96Å; V367-L371 HydrophobicContact CG1-CG 4.39Å; V367-L371 WeakPolarHBondContact O-CG 3.16Å; V367-L371 PolarHBondContact O-N 3.24Å; V368-L371 PolarHBondContact O-N 2.83Å; V368-L371 VanDerWaalsContact O-N 3.09Å; L371-S373 VanDerWaalsContact C-N 3.32Å; L371-S373 PolarHBondContact O-N 2.96Å; L371-T374 PolarHBondContact O-N 3.21Å; L371-T374 VanDerWaalsContact O-N 3.14Å; L371-T374 PolarHBondContact O-OG1 3.48Å; L371-L375 HydrophobicContact CD2-CD1 4.3Å; L371-L375 PolarHBondContact O-N 2.87Å
372E97.8Very high96.2Very high90 Ų9043.5 Ų43.542%0.42124%0.243SC..Hα-helixtrans-58.1-44.6173.8-76.8172.4169.400111.1F359 V368 T374 S376F359-E372 HydrophobicContact CD2-CG 3.97Å; F359-E372 HydrophobicContact CE2-CB 4.36Å; F359-E372 HydrophobicContact CE2-CG 3.43Å; F359-E372 VanDerWaalsContact CE2-CG 3.43Å; F359-E372 HydrophobicContact CZ-CG 4.33Å; V368-E372 HydrophobicContact CG1-CG 4.15Å; V368-E372 WeakPolarHBondContact CG1-OE1 3.33Å; V368-E372 WeakPolarHBondContact O-CB 3.49Å; V368-E372 WeakPolarHBondContact O-CG 3.43Å; V368-E372 PolarHBondContact O-N 3.43Å; E372-T374 PolarHBondContact O-N 3.49Å; E372-T374 VanDerWaalsContact O-N 3.17Å; E372-S376 WeakPolarHBondContact O-CB 3.48Å; E372-S376 PolarHBondContact O-N 3.29Å; E372-S376 PolarHBondContact O-OG 3.05Å
373S98Very high96.1Very high32 Ų3243.6 Ų43.622%0.22425%0.247CC..Hα-helixtrans-67.9-13.7179.476.30000114.7A369 V370 L371 A379 P385A369-S373 WeakPolarHBondContact O-CB 3.44Å; A369-S373 PolarHBondContact O-N 3.23Å; A369-S373 VanDerWaalsContact O-N 3.11Å; A369-S373 PolarHBondContact O-OG 3.46Å; V370-S373 PolarHBondContact O-N 3.46Å; V370-S373 PolarHBondContact O-OG 3.32Å; L371-S373 VanDerWaalsContact C-N 3.32Å; L371-S373 PolarHBondContact O-N 2.96Å; S373-A379 VanDerWaalsContact O-CB 3.28Å; S373-A379 WeakPolarHBondContact O-CB 3.37Å; S373-P385 WeakPolarHBondContact O-CD 3.49Å
374T98.1Very high96.3Very high0 Ų041.8 Ų41.80%023%0.233CC..Hα-helixtrans-117.3-31.6-173.9530000114.4V335 G339 V370 L371 E372 M384 L390V335-T374 HydrophobicContact CG1-CG2 3.93Å; G339-T374 WeakPolarHBondContact CA-OG1 3.36Å; V370-T374 WeakPolarHBondContact O-CG2 3.09Å; V370-T374 PolarHBondContact O-N 2.96Å; V370-T374 PolarHBondContact O-OG1 3.29Å; L371-T374 PolarHBondContact O-N 3.21Å; L371-T374 VanDerWaalsContact O-N 3.14Å; L371-T374 PolarHBondContact O-OG1 3.48Å; E372-T374 PolarHBondContact O-N 3.49Å; E372-T374 VanDerWaalsContact O-N 3.17Å; T374-M384 VanDerWaalsContact O-SD 3.35Å; T374-L390 HydrophobicContact CG2-CD2 4.23Å
375L97.5Very high96.4Very high0 Ų041.5 Ų41.50%023%0.23CC..Hα-helixtrans-121.3-5.8-172.8-62.2-177000114.4Y343 V354 P355 V356 L371Y343-L375 HydrophobicContact CD2-CD1 4.32Å; V354-L375 HydrophobicContact CG1-CD2 4.4Å; V354-L375 HydrophobicContact CG2-CD2 4.41Å; P355-L375 CarbonylContact C-O 3.58Å; P355-L375 WeakPolarHBondContact CA-O 3.42Å; P355-L375 WeakPolarHBondContact CB-O 3.34Å; V356-L375 PolarHBondContact N-O 3.09Å; L371-L375 HydrophobicContact CD2-CD1 4.3Å; L371-L375 PolarHBondContact O-N 2.87Å
376S96.9Very high96.4Very high15 Ų1539.2 Ų39.211%0.10522%0.224CC..SBendtrans-69.6164.117968.50000113V356 E372 E378 A379 C380V356-S376 WeakPolarHBondContact O-CA 3.18Å; E372-S376 WeakPolarHBondContact O-CB 3.48Å; E372-S376 PolarHBondContact O-N 3.29Å; E372-S376 PolarHBondContact O-OG 3.05Å; S376-E378 PolarHBondContact O-N 3.38Å; S376-A379 PolarHBondContact O-N 2.91Å; S376-A379 WeakPolarHBondContact OG-CB 3.42Å; S376-A379 PolarHBondContact OG-N 3.04Å; S376-A379 VanDerWaalsContact OG-N 3.07Å; S376-C380 PolarHBondContact O-N 2.66Å; S376-C380 PolarHBondContact O-SG 2.93Å; S376-C380 VanDerWaalsContact O-SG 3.34Å
377C95.4Very high96.5Very high32 Ų3238.4 Ų38.422%0.21622%0.217CC..Hα-helixtrans-59.5-36.2174.3-171.70000111.4P355 D357 K381P355-C377 HydrophobicContact CB-CB 3.99Å; P355-C377 HydrophobicContact CG-CB 4.02Å; D357-C377 WeakPolarHBondContact OD1-CB 3.21Å; D357-C377 PolarHBondContact OD1-N 2.96Å; D357-C377 WeakPolarHBondContact OD2-CB 3.38Å; C377-K381 VanDerWaalsContact O-CB 3.31Å; C377-K381 WeakPolarHBondContact O-CB 3.32Å; C377-K381 WeakPolarHBondContact O-CD 3.46Å; C377-K381 WeakPolarHBondContact O-CG 3.44Å; C377-K381 PolarHBondContact O-N 3.17Å; C377-K381 WeakPolarHBondContact SG-CE 3.5Å; C377-K381 PolarHBondContact SG-NZ 3.32Å
378E94.9Very high96.5Very high135 Ų13540.7 Ų40.763%0.63123%0.233SC*.Hα-helixtrans-66.1-49.6175.1-167177.9175.400111.4S376 C380 K381 N382S376-E378 PolarHBondContact O-N 3.38Å; E378-C380 VanDerWaalsContact C-N 3.34Å; E378-C380 PolarHBondContact O-N 2.95Å; E378-K381 PolarHBondContact O-N 3.12Å; E378-K381 VanDerWaalsContact O-N 3.09Å; E378-N382 HydrophobicContact CG-CB 4.49Å; E378-N382 VanDerWaalsContact CG-ND2 3.28Å; E378-N382 WeakPolarHBondContact CG-ND2 3.19Å; E378-N382 WeakPolarHBondContact O-CB 3.37Å; E378-N382 PolarHBondContact O-N 2.77Å
379A95Very high96.5Very high7 Ų746.7 Ų46.76%0.05825%0.254CS..Hα-helixtrans-57.4-46.1178.600000111.9S373 S376 K381 G383 M384S373-A379 VanDerWaalsContact O-CB 3.28Å; S373-A379 WeakPolarHBondContact O-CB 3.37Å; S376-A379 PolarHBondContact O-N 2.91Å; S376-A379 WeakPolarHBondContact OG-CB 3.42Å; S376-A379 PolarHBondContact OG-N 3.04Å; S376-A379 VanDerWaalsContact OG-N 3.07Å; A379-K381 VanDerWaalsContact C-N 3.27Å; A379-K381 PolarHBondContact O-N 2.93Å; A379-G383 CarbonylContact O-C 3.54Å; A379-G383 WeakPolarHBondContact O-CA 3.43Å; A379-G383 PolarHBondContact O-N 3.11Å; A379-M384 HydrophobicContact CB-CG 4.12Å
380C93.2Very high96.6Very high3 Ų344.9 Ų44.92%0.0224%0.239CC..Hα-helixtrans-68.5-22.5179.3-63.90000113.8F324 S376 E378F324-C380 HydrophobicContact CD1-CB 3.6Å; F324-C380 HydrophobicContact CE1-CB 3.74Å; F324-C380 HydrophobicContact CG-CB 4.01Å; F324-C380 HydrophobicContact CZ-CB 4.28Å; S376-C380 PolarHBondContact O-N 2.66Å; S376-C380 PolarHBondContact O-SG 2.93Å; S376-C380 VanDerWaalsContact O-SG 3.34Å; E378-C380 VanDerWaalsContact C-N 3.34Å; E378-C380 PolarHBondContact O-N 2.95Å
381K91.5Very high96.6Very high134 Ų13445.4 Ų45.458%0.58324%0.242SC*.Hα-helixtrans-97.6-36.6-178.3-76.4174.8180169.60114.3K326 C377 E378 A379K326-K381 VanDerWaalsContact CE-O 3.27Å; K326-K381 WeakPolarHBondContact CE-O 3.25Å; K326-K381 WeakPolarHBondContact CG-O 3.29Å; C377-K381 VanDerWaalsContact O-CB 3.31Å; C377-K381 WeakPolarHBondContact O-CB 3.32Å; C377-K381 WeakPolarHBondContact O-CD 3.46Å; C377-K381 WeakPolarHBondContact O-CG 3.44Å; C377-K381 PolarHBondContact O-N 3.17Å; C377-K381 WeakPolarHBondContact SG-CE 3.5Å; C377-K381 PolarHBondContact SG-NZ 3.32Å; E378-K381 PolarHBondContact O-N 3.12Å; E378-K381 VanDerWaalsContact O-N 3.09Å; A379-K381 VanDerWaalsContact C-N 3.27Å; A379-K381 PolarHBondContact O-N 2.93Å
382N92.5Very high96.5Very high112 Ų11251.2 Ų51.260%0.59927%0.269SS*.Hα-helixtrans-100.5-23.6-173.3-66-13.6000111.7E378E378-N382 HydrophobicContact CG-CB 4.49Å; E378-N382 VanDerWaalsContact CG-ND2 3.28Å; E378-N382 WeakPolarHBondContact CG-ND2 3.19Å; E378-N382 WeakPolarHBondContact O-CB 3.37Å; E378-N382 PolarHBondContact O-N 2.77Å
383G92.2Very high96.6Very high33 Ų3348.1 Ų48.134%0.3426%0.255SS..  trans117158.9-175.300000111.1A379A379-G383 CarbonylContact O-C 3.54Å; A379-G383 WeakPolarHBondContact O-CA 3.43Å; A379-G383 PolarHBondContact O-N 3.11Å
384M97.3Very high96.6Very high33 Ų3351.1 Ų51.116%0.16327%0.274CS..  trans-105.2157.7-179-67167.8-6400110.5I327 S332 V335 H336 T374 A379I327-M384 HydrophobicContact CB-CE 4.4Å; I327-M384 HydrophobicContact CD1-CE 3.97Å; I327-M384 HydrophobicContact CD1-SD 4.46Å; I327-M384 HydrophobicContact CG1-CE 3.71Å; I327-M384 HydrophobicContact CG2-CE 4.1Å; S332-M384 WeakPolarHBondContact O-CE 3.3Å; V335-M384 HydrophobicContact CG1-CB 3.64Å; V335-M384 HydrophobicContact CG1-CG 4.32Å; V335-M384 HydrophobicContact CG1-SD 4.03Å; H336-M384 HydrophobicContact CB-CE 3.9Å; H336-M384 HydrophobicContact CB-SD 3.79Å; T374-M384 VanDerWaalsContact O-SD 3.35Å; A379-M384 HydrophobicContact CB-CG 4.12Å
385P97.9Very high96.6Very high30 Ų3051.2 Ų51.220%0.19527%0.274CS..  trans-61.1156.6173.626.8-35.6000111.9V335 S373 R389 L390V335-P385 WeakPolarHBondContact CG2-O 3.41Å; S373-P385 WeakPolarHBondContact O-CD 3.49Å; P385-R389 HydrophobicContact CB-CB 3.98Å; P385-R389 HydrophobicContact CB-CG 3.86Å; P385-L390 HydrophobicContact CB-CD2 4.33Å; P385-L390 HydrophobicContact CB-CG 4.47Å; P385-L390 HydrophobicContact CG-CD2 3.55Å; P385-L390 HydrophobicContact CG-CG 4.05Å
386T98.4Very high96.6Very high91 Ų9151.2 Ų51.256%0.55827%0.274SS*.  trans-72.2161.1169.664.20000110.9S388 R389 L390T386-S388 VanDerWaalsContact C-N 3.25Å; T386-S388 PolarHBondContact O-N 2.88Å; T386-R389 WeakPolarHBondContact O-CA 3.15Å; T386-R389 WeakPolarHBondContact O-CB 3.35Å; T386-R389 PolarHBondContact O-N 2.86Å; T386-R389 PolarHBondContact OG1-N 2.9Å; T386-L390 PolarHBondContact O-N 2.94Å
387V98.7Very high96.6Very high5 Ų553.6 Ų53.63%0.0329%0.291CS..Hα-helixtrans-56.4-40.9174176.50000111.7L273 L276 K277 V335 R389 L390 L391L273-V387 HydrophobicContact CB-CG1 4.19Å; L273-V387 HydrophobicContact CD2-CG1 3.99Å; L273-V387 VanDerWaalsContact O-CG1 3.23Å; L273-V387 WeakPolarHBondContact O-CG1 3.28Å; L276-V387 HydrophobicContact CB-CG1 4.14Å; L276-V387 HydrophobicContact CB-CG2 4.02Å; L276-V387 HydrophobicContact CD1-CG2 4.41Å; K277-V387 HydrophobicContact CB-CG1 3.82Å; V335-V387 HydrophobicContact CG2-CG2 3.98Å; V387-R389 VanDerWaalsContact C-N 3.26Å; V387-R389 PolarHBondContact O-N 2.88Å; V387-L390 WeakPolarHBondContact O-CB 3.46Å; V387-L390 PolarHBondContact O-N 2.88Å; V387-L391 HydrophobicContact CG1-CD1 4.25Å; V387-L391 WeakPolarHBondContact O-CG 3.4Å; V387-L391 PolarHBondContact O-N 2.63Å
388S98.4Very high96.5Very high48 Ų4856.6 Ų56.634%0.33630%0.304SS..Hα-helixtrans-58.5-37.7174.8-60.10000112.4T386 Q392T386-S388 VanDerWaalsContact C-N 3.25Å; T386-S388 PolarHBondContact O-N 2.88Å; S388-Q392 WeakPolarHBondContact O-CG 3.37Å; S388-Q392 PolarHBondContact O-N 3.35Å
389R98.4Very high96.5Very high141 Ų14150.9 Ų50.953%0.53228%0.279SS..Hα-helixtrans-71.7-40.7176.3-18057.5-178.9169.91.2111.6P385 T386 V387 L391 Q392 M393P385-R389 HydrophobicContact CB-CB 3.98Å; P385-R389 HydrophobicContact CB-CG 3.86Å; T386-R389 WeakPolarHBondContact O-CA 3.15Å; T386-R389 WeakPolarHBondContact O-CB 3.35Å; T386-R389 PolarHBondContact O-N 2.86Å; T386-R389 PolarHBondContact OG1-N 2.9Å; V387-R389 VanDerWaalsContact C-N 3.26Å; V387-R389 PolarHBondContact O-N 2.88Å; R389-L391 VanDerWaalsContact C-N 3.32Å; R389-L391 PolarHBondContact O-N 2.98Å; R389-Q392 WeakPolarHBondContact O-CB 3.36Å; R389-Q392 PolarHBondContact O-N 2.84Å; R389-Q392 VanDerWaalsContact O-N 3.1Å; R389-M393 WeakPolarHBondContact O-CG 3.45Å; R389-M393 PolarHBondContact O-N 3.17Å
390L98.7Very high96.3Very high0 Ų058.2 Ų58.20%032%0.316CS..Hα-helixtrans-58-44.2174.4-68.7178.6000111.6L273 V335 F338 V370 T374 P385 T386 V387 Q392 M393 F396L273-L390 HydrophobicContact CD1-CB 3.91Å; L273-L390 HydrophobicContact CD2-CB 4.04Å; L273-L390 HydrophobicContact CD2-CD1 3.73Å; V335-L390 HydrophobicContact CG1-CD1 4.12Å; V335-L390 HydrophobicContact CG2-CD1 4.39Å; F338-L390 HydrophobicContact CD1-CD1 3.95Å; F338-L390 HydrophobicContact CE1-CD1 4.28Å; V370-L390 HydrophobicContact CG1-CD2 4.11Å; T374-L390 HydrophobicContact CG2-CD2 4.23Å; P385-L390 HydrophobicContact CB-CD2 4.33Å; P385-L390 HydrophobicContact CB-CG 4.47Å; P385-L390 HydrophobicContact CG-CD2 3.55Å; P385-L390 HydrophobicContact CG-CG 4.05Å; T386-L390 PolarHBondContact O-N 2.94Å; V387-L390 WeakPolarHBondContact O-CB 3.46Å; V387-L390 PolarHBondContact O-N 2.88Å; L390-Q392 PolarHBondContact O-N 3.46Å; L390-Q392 VanDerWaalsContact O-N 3.15Å; L390-M393 HydrophobicContact CD2-SD 3.59Å; L390-M393 VanDerWaalsContact CD2-SD 3.59Å; L390-M393 WeakPolarHBondContact O-CB 3.48Å; L390-M393 PolarHBondContact O-N 3.47Å; L390-F396 WeakPolarHBondContact O-CD2 3.39Å
391L98.5Very high96.2Very high13 Ų1360.3 Ų60.37%0.06833%0.327CS..Hα-helixtrans-59.1-25.9176.6-73.6168000113.7R270 L273 E274 K277 V387 R389R270-L391 PolarHBondContact NH1-O 3.16Å; L273-L391 HydrophobicContact CB-CD2 3.47Å; L273-L391 VanDerWaalsContact CB-CD2 3.47Å; L273-L391 HydrophobicContact CB-CG 3.92Å; L273-L391 HydrophobicContact CD1-CD2 4.21Å; L273-L391 HydrophobicContact CD1-CG 4.47Å; L273-L391 HydrophobicContact CG-CD2 4.5Å; E274-L391 HydrophobicContact CG-CD2 4.43Å; K277-L391 HydrophobicContact CB-CD1 4.13Å; K277-L391 HydrophobicContact CD-CD1 3.61Å; K277-L391 HydrophobicContact CG-CD1 4.48Å; V387-L391 HydrophobicContact CG1-CD1 4.25Å; V387-L391 WeakPolarHBondContact O-CG 3.4Å; V387-L391 PolarHBondContact O-N 2.63Å; R389-L391 VanDerWaalsContact C-N 3.32Å; R389-L391 PolarHBondContact O-N 2.98Å
392Q98.3Very high95.6Very high121 Ų12160.7 Ų60.757%0.56534%0.341SS*.THydrogen-bonded Turntrans-89-6.8177.2-66.6172.6-4.800113.4S388 R389 L390S388-Q392 WeakPolarHBondContact O-CG 3.37Å; S388-Q392 PolarHBondContact O-N 3.35Å; R389-Q392 WeakPolarHBondContact O-CB 3.36Å; R389-Q392 PolarHBondContact O-N 2.84Å; R389-Q392 VanDerWaalsContact O-N 3.1Å; L390-Q392 PolarHBondContact O-N 3.46Å; L390-Q392 VanDerWaalsContact O-N 3.15Å
393M98.4Very high95Very high25 Ų2558.3 Ų58.312%0.12333%0.33CS..SBendtrans-72.3150.9178.9-67.6-178.870.700110.9A369 V370 R389 L390 L395 F396 S397A369-M393 HydrophobicContact CB-CE 4.37Å; V370-M393 HydrophobicContact CB-CE 4.22Å; V370-M393 HydrophobicContact CG2-CB 4.27Å; V370-M393 HydrophobicContact CG2-CE 3.57Å; V370-M393 HydrophobicContact CG2-SD 3.87Å; R389-M393 WeakPolarHBondContact O-CG 3.45Å; R389-M393 PolarHBondContact O-N 3.17Å; L390-M393 HydrophobicContact CD2-SD 3.59Å; L390-M393 VanDerWaalsContact CD2-SD 3.59Å; L390-M393 WeakPolarHBondContact O-CB 3.48Å; L390-M393 PolarHBondContact O-N 3.47Å; M393-L395 PolarHBondContact O-N 3.34Å; M393-F396 PolarHBondContact O-N 2.76Å; M393-S397 PolarHBondContact O-N 2.87Å; M393-S397 PolarHBondContact O-OG 3.07Å
394P97.8Very high93.9Very high96 Ų9662.7 Ų62.762%0.62336%0.356SS*.THydrogen-bonded Turntrans-55.1-24-174.7-2936000115.6A366 F396A366-P394 HydrophobicContact CB-CB 4.46Å; P394-F396 VanDerWaalsContact C-N 3.27Å; P394-F396 PolarHBondContact O-N 3.33Å
395L98.1Very high93.1Very high2 Ų266.4 Ų66.41%0.0137%0.373CS..THydrogen-bonded Turntrans-66.9-29.4177.1-172.362.2000112.9L262 K266 L342 A366 V367 V370 M393L262-L395 HydrophobicContact CD1-CD1 4.35Å; K266-L395 WeakPolarHBondContact CE-O 3.39Å; K266-L395 HydrophobicContact CG-CD1 3.76Å; K266-L395 HydrophobicContact CG-CG 4.41Å; K266-L395 WeakPolarHBondContact CG-O 3.15Å; L342-L395 HydrophobicContact CD1-CD2 4.35Å; L342-L395 HydrophobicContact CD2-CD2 4.22Å; A366-L395 HydrophobicContact CB-CB 4Å; A366-L395 HydrophobicContact CB-CD1 4.07Å; V367-L395 HydrophobicContact CB-CD2 4.45Å; V367-L395 HydrophobicContact CG2-CD1 3.57Å; V367-L395 HydrophobicContact CG2-CD2 4.04Å; V367-L395 HydrophobicContact CG2-CG 4.49Å; V370-L395 HydrophobicContact CB-CD2 4.27Å; V370-L395 HydrophobicContact CG2-CB 3.98Å; V370-L395 HydrophobicContact CG2-CD2 3.82Å; M393-L395 PolarHBondContact O-N 3.34Å
396F98.1Very high92.5Very high0 Ų074 Ų740%040%0.403CS..THydrogen-bonded Turntrans-123.1-20.3-170.2-55.8-56.1000113.7R270 L273 F338 V370 L390 M393 P394 D398 V399R270-F396 HydrophobicContact CB-CD1 4.26Å; R270-F396 WeakPolarHBondContact CD-O 3.25Å; R270-F396 PolarHBondContact NH1-O 3.08Å; L273-F396 HydrophobicContact CD1-CD2 3.48Å; L273-F396 VanDerWaalsContact CD1-CD2 3.48Å; L273-F396 HydrophobicContact CD1-CE2 3.56Å; L273-F396 HydrophobicContact CD1-CG 3.99Å; L273-F396 HydrophobicContact CD1-CZ 4.15Å; F338-F396 AromaticContact CE1-CE2 3.97Å; F338-F396 HydrophobicContact CE1-CE2 3.97Å; F338-F396 HydrophobicContact CE1-CZ 4.02Å; F338-F396 HydrophobicContact CZ-CE1 4.46Å; F338-F396 AromaticContact CZ-CE2 3.84Å; F338-F396 HydrophobicContact CZ-CE2 3.84Å; F338-F396 AromaticContact CZ-CZ 3.55Å; F338-F396 HydrophobicContact CZ-CZ 3.55Å; V370-F396 HydrophobicContact CG1-CE2 4.17Å; V370-F396 HydrophobicContact CG2-CE2 4.06Å; L390-F396 WeakPolarHBondContact O-CD2 3.39Å; M393-F396 PolarHBondContact O-N 2.76Å; P394-F396 VanDerWaalsContact C-N 3.27Å; P394-F396 PolarHBondContact O-N 3.33Å; F396-D398 VanDerWaalsContact C-N 3.25Å; F396-D398 PolarHBondContact O-N 3.14Å; F396-V399 PolarHBondContact O-N 3.28Å
397S96.6Very high92.4Very high65 Ų6572.7 Ų72.746%0.45540%0.395SS..THydrogen-bonded Turntrans-63-29.7-172.755.20000113.8M393M393-S397 PolarHBondContact O-N 2.87Å; M393-S397 PolarHBondContact O-OG 3.07Å
398D93Very high92.2Very high94 Ų9476.7 Ų76.750%0.50341%0.414SS..THydrogen-bonded Turntrans-95.70.1-177.868.6-23.4000113.7K266 F396 L400K266-D398 WeakPolarHBondContact CE-OD1 3.32Å; K266-D398 IonicContact NZ-OD1 3.7Å; K266-D398 PolarHBondContact NZ-OD1 3.22Å; K266-D398 IonicContact NZ-OD2 2.86Å; K266-D398 PolarHBondContact NZ-OD2 3.14Å; F396-D398 VanDerWaalsContact C-N 3.25Å; F396-D398 PolarHBondContact O-N 3.14Å; D398-L400 PolarHBondContact O-N 2.72Å
399V95.3Very high92.1Very high15 Ų1574.6 Ų74.69%0.09140%0.399CS..  trans-80.3108179.1-178.60000109.7K266 R270 F396 L401K266-V399 HydrophobicContact CB-CG2 3.79Å; R270-V399 HydrophobicContact CB-CB 4.03Å; R270-V399 HydrophobicContact CB-CG1 3.82Å; R270-V399 HydrophobicContact CB-CG2 4.44Å; R270-V399 HydrophobicContact CG-CB 3.98Å; R270-V399 HydrophobicContact CG-CG1 3.92Å; F396-V399 PolarHBondContact O-N 3.28Å; V399-L401 HydrophobicContact CG1-CD2 4.11Å
400L91.9Very high92Very high161 Ų16175.3 Ų75.384%0.84341%0.406SS*.  trans-83.5121174.2-62.9177.1000110.7D398D398-L400 PolarHBondContact O-N 2.72Å
401L90.9Very high91.9Very high48 Ų4875.9 Ų75.925%0.25141%0.408SS..  trans-100.4111.5176.7-66.9-176.9000110.2Y208 R270 Q271 E274 V399 T403Y208-L401 HydrophobicContact CE2-CD1 3.72Å; Y208-L401 WeakPolarHBondContact OH-CB 3.42Å; R270-L401 HydrophobicContact CG-CD1 3.68Å; R270-L401 HydrophobicContact CG-CD2 4.31Å; R270-L401 HydrophobicContact CG-CG 3.96Å; Q271-L401 HydrophobicContact CG-CD1 4.26Å; Q271-L401 HydrophobicContact CG-CD2 3.75Å; E274-L401 HydrophobicContact CG-CD1 3.74Å; V399-L401 HydrophobicContact CG1-CD2 4.11Å; L401-T403 PolarHBondContact O-N 2.94Å
402T79.3Confident91.9Very high142 Ų14278.5 Ų78.587%0.87143%0.426SS*.  trans-88.688178.154.60000110.1
403T78.9Confident91.8Very high61 Ų6178.4 Ų78.437%0.37443%0.434SS..  trans-124.2130.1173174.50000110.9P207 Y208 L401 E405P207-T403 HydrophobicContact CB-CG2 4.49Å; P207-T403 WeakPolarHBondContact CB-OG1 3.33Å; P207-T403 HydrophobicContact CG-CG2 3.99Å; Y208-T403 HydrophobicContact CE2-CG2 4.47Å; L401-T403 PolarHBondContact O-N 2.94Å; T403-E405 PolarHBondContact OG1-N 3.3Å; T403-E405 PolarHBondContact OG1-O 2.71Å
404S68.5Low91.8Very high125 Ų12583.6 Ų83.687%0.87446%0.456SS*.  trans-83.6-22.4173.954.20000112.7K406S404-K406 PolarHBondContact O-N 2.79Å
405E80.3Confident91.8Very high112 Ų11279.7 Ų79.752%0.52343%0.43SS..SBendtrans-78.5121.6-179.4-68.8-173.4171.100111.4T403 P407T403-E405 PolarHBondContact OG1-N 3.3Å; T403-E405 PolarHBondContact OG1-O 2.71Å; E405-P407 WeakPolarHBondContact O-CD 3.2Å
406K87.2Confident91.8Very high190 Ų19084 Ų8483%0.82645%0.449SS*.PPolyproline II helixtrans-79.9125173.3-71.4-175.6179.3178.90110.3S404 Q408S404-K406 PolarHBondContact O-N 2.79Å; K406-Q408 PolarHBondContact O-N 3.38Å
407P94.6Very high91.8Very high62 Ų6288.1 Ų88.140%0.40347%0.468SS..PPolyproline II helixtrans-55.5128.1175.1-29.436.9000113.5L205 F278 E405L205-P407 CarbonylContact O-C 3.43Å; L205-P407 WeakPolarHBondContact O-CA 3.38Å; F278-P407 HydrophobicContact CD2-CB 3.77Å; F278-P407 HydrophobicContact CE2-CB 3.61Å; F278-P407 HydrophobicContact CZ-CB 4.3Å; E405-P407 WeakPolarHBondContact O-CD 3.2Å
408Q94.6Very high91.9Very high90 Ų9085.7 Ų85.742%0.42145%0.452SS..BIsolated β-bridgetrans-139.3127.1178.2-178.3178.1-2100111.3L205 K406 K410L205-Q408 HydrophobicContact CB-CB 4.48Å; L205-Q408 PolarHBondContact N-O 2.97Å; L205-Q408 PolarHBondContact O-N 2.93Å; K406-Q408 PolarHBondContact O-N 3.38Å; Q408-K410 HydrophobicContact CG-CG 4.38Å
409F96.8Very high92.1Very high4 Ų481.3 Ų81.32%0.01843%0.428CS..  trans-148.8111.3166.5-169.2-155.8000109.1L200 C204 F278 F284 I411L200-F409 HydrophobicContact CD2-CE2 3.95Å; L200-F409 HydrophobicContact CD2-CZ 4.3Å; L200-F409 HydrophobicContact CG-CE2 3.84Å; L200-F409 HydrophobicContact CG-CZ 4.47Å; C204-F409 HydrophobicContact CB-CB 4.48Å; C204-F409 HydrophobicContact CB-CD1 4.34Å; C204-F409 HydrophobicContact CB-CD2 3.64Å; C204-F409 HydrophobicContact CB-CE1 4.47Å; C204-F409 HydrophobicContact CB-CE2 3.79Å; C204-F409 HydrophobicContact CB-CG 3.95Å; C204-F409 HydrophobicContact CB-CZ 4.23Å; F278-F409 HydrophobicContact CE1-CB 4.12Å; F278-F409 HydrophobicContact CZ-CB 3.6Å; F284-F409 AromaticContact CD2-CE1 3.65Å; F284-F409 HydrophobicContact CD2-CE1 3.65Å; F284-F409 HydrophobicContact CD2-CZ 4.34Å; F284-F409 AromaticContact CE2-CE1 3.89Å; F284-F409 HydrophobicContact CE2-CE1 3.89Å; F284-F409 HydrophobicContact CE2-CZ 4.18Å; F284-F409 HydrophobicContact CG-CE1 4.28Å; F409-I411 HydrophobicContact CD1-CD1 3.82Å; F409-I411 HydrophobicContact CD1-CG1 3.94Å; F409-I411 HydrophobicContact CD2-CG1 4.38Å; F409-I411 HydrophobicContact CE1-CD1 3.66Å; F409-I411 HydrophobicContact CE1-CG1 3.88Å; F409-I411 HydrophobicContact CE2-CG1 4.33Å; F409-I411 HydrophobicContact CG-CG1 4.18Å; F409-I411 HydrophobicContact CZ-CD1 4.26Å; F409-I411 HydrophobicContact CZ-CG1 4.07Å
410K96.6Very high92.3Very high155 Ų15585.4 Ų85.467%0.67444%0.442SS*.  trans-9997.2-176.7-70.8-175.8178.4178.10109Q408Q408-K410 HydrophobicContact CG-CG 4.38Å
411I97.3Very high92.6Very high12 Ų1281.6 Ų81.66%0.06242%0.422CS..  trans-94.7121.9175.4-51.1172.6000108.5L197 L200 F284 F409 L415 K416 L419L197-I411 HydrophobicContact CD2-CG2 4.34Å; L200-I411 HydrophobicContact CD2-CB 4.35Å; L200-I411 HydrophobicContact CD2-CG1 4.13Å; L200-I411 HydrophobicContact CD2-CG2 4.31Å; F284-I411 HydrophobicContact CB-CD1 4.46Å; F284-I411 HydrophobicContact CD2-CD1 3.88Å; F409-I411 HydrophobicContact CD1-CD1 3.82Å; F409-I411 HydrophobicContact CD1-CG1 3.94Å; F409-I411 HydrophobicContact CD2-CG1 4.38Å; F409-I411 HydrophobicContact CE1-CD1 3.66Å; F409-I411 HydrophobicContact CE1-CG1 3.88Å; F409-I411 HydrophobicContact CE2-CG1 4.33Å; F409-I411 HydrophobicContact CG-CG1 4.18Å; F409-I411 HydrophobicContact CZ-CD1 4.26Å; F409-I411 HydrophobicContact CZ-CG1 4.07Å; I411-L415 HydrophobicContact CG2-CB 3.89Å; I411-K416 HydrophobicContact CB-CG 3.85Å; I411-K416 HydrophobicContact CG2-CG 3.67Å; I411-K416 VanDerWaalsContact O-CE 3.25Å; I411-K416 WeakPolarHBondContact O-CE 3.42Å; I411-L419 HydrophobicContact CD1-CD1 4.08Å; I411-L419 HydrophobicContact CG2-CD1 4.26Å
412P97.5Very high92.9Very high68 Ų6879.7 Ų79.744%0.44241%0.413SS..  trans-53.7142.6173.3-26.734000112.4K414 L415 K416P412-K414 VanDerWaalsContact C-N 3.26Å; P412-K414 PolarHBondContact O-N 3.38Å; P412-L415 HydrophobicContact CB-CD1 4.49Å; P412-L415 HydrophobicContact CB-CG 4.4Å; P412-L415 HydrophobicContact CG-CD1 4.1Å; P412-L415 WeakPolarHBondContact O-CA 3.4Å; P412-L415 PolarHBondContact O-N 2.9Å; P412-K416 PolarHBondContact O-N 2.84Å
413T97.1Very high93.8Very high119 Ų11974.8 Ų74.873%0.7338%0.379SS*.Hα-helixtrans-54.4-40.9-176.5-510000112.8L415 K416 E417T413-L415 VanDerWaalsContact C-N 3.32Å; T413-L415 PolarHBondContact O-N 2.95Å; T413-K416 WeakPolarHBondContact O-CB 3.44Å; T413-K416 PolarHBondContact O-N 3.07Å; T413-E417 PolarHBondContact O-N 3.28Å
414K97.1Very high94.7Very high134 Ų13476.2 Ų76.258%0.58338%0.382SS*.Hα-helixtrans-57.9-43.8175-175.4-175.4175.4-174.40112.5P412 E417 A418P412-K414 VanDerWaalsContact C-N 3.26Å; P412-K414 PolarHBondContact O-N 3.38Å; K414-E417 PolarHBondContact O-N 3.36Å; K414-A418 PolarHBondContact O-N 3.23Å; K414-A418 VanDerWaalsContact O-N 3.12Å
415L98.1Very high96.1Very high14 Ų1472.3 Ų72.37%0.07335%0.354CS..Hα-helixtrans-74.5-30.7-179.9-64.4-178.2000112D193 C196 L197 I411 P412 T413 E417 A418 L419D193-L415 HydrophobicContact CB-CD2 3.9Å; C196-L415 HydrophobicContact CB-CD1 3.89Å; C196-L415 HydrophobicContact CB-CD2 4.1Å; L197-L415 HydrophobicContact CD2-CB 3.99Å; L197-L415 HydrophobicContact CD2-CD1 4.21Å; L197-L415 HydrophobicContact CG-CB 4.32Å; L197-L415 HydrophobicContact CG-CD1 4.22Å; L197-L415 HydrophobicContact CG-CD2 4.31Å; I411-L415 HydrophobicContact CG2-CB 3.89Å; P412-L415 HydrophobicContact CB-CD1 4.49Å; P412-L415 HydrophobicContact CB-CG 4.4Å; P412-L415 HydrophobicContact CG-CD1 4.1Å; P412-L415 WeakPolarHBondContact O-CA 3.4Å; P412-L415 PolarHBondContact O-N 2.9Å; T413-L415 VanDerWaalsContact C-N 3.32Å; T413-L415 PolarHBondContact O-N 2.95Å; L415-E417 VanDerWaalsContact C-N 3.3Å; L415-E417 PolarHBondContact O-N 2.9Å; L415-A418 PolarHBondContact O-N 3.39Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 3.25Å
416K97.9Very high96.9Very high93 Ų9367.8 Ų67.840%0.40433%0.333SS..Hα-helixtrans-60.6-42170.7-70.1-176.7174.7179.10111.6I411 P412 T413 L419 R420I411-K416 HydrophobicContact CB-CG 3.85Å; I411-K416 HydrophobicContact CG2-CG 3.67Å; I411-K416 VanDerWaalsContact O-CE 3.25Å; I411-K416 WeakPolarHBondContact O-CE 3.42Å; P412-K416 PolarHBondContact O-N 2.84Å; T413-K416 WeakPolarHBondContact O-CB 3.44Å; T413-K416 PolarHBondContact O-N 3.07Å; K416-L419 WeakPolarHBondContact O-CB 3.09Å; K416-L419 PolarHBondContact O-N 2.91Å; K416-R420 PolarHBondContact O-N 3.17Å
417E98.1Very high97.5Very high86 Ų8660 Ų6040%0.40230%0.3SS..Hα-helixtrans-66.3-42177.1-17860.3-173.800111.8T413 K414 L415 L419 R420 I421T413-E417 PolarHBondContact O-N 3.28Å; K414-E417 PolarHBondContact O-N 3.36Å; L415-E417 VanDerWaalsContact C-N 3.3Å; L415-E417 PolarHBondContact O-N 2.9Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.41Å; E417-R420 WeakPolarHBondContact O-CB 3.43Å; E417-R420 PolarHBondContact O-N 3.31Å; E417-R420 IonicContact OE1-CZ 2.83Å; E417-R420 IonicContact OE1-NE 2.79Å; E417-R420 PolarHBondContact OE1-NE 3.45Å; E417-R420 IonicContact OE1-NH2 3.75Å; E417-R420 PolarHBondContact OE1-NH2 2.89Å; E417-R420 IonicContact OE2-CZ 2.64Å; E417-R420 IonicContact OE2-NE 3.09Å; E417-R420 PolarHBondContact OE2-NE 3.27Å; E417-R420 IonicContact OE2-NH2 2.75Å; E417-I421 HydrophobicContact CG-CD1 4.25Å; E417-I421 WeakPolarHBondContact O-CG1 3.5Å; E417-I421 PolarHBondContact O-N 3Å
418A98.3Very high97.6Very high15 Ų1563 Ų6312%0.12431%0.307CS..Hα-helixtrans-60-40.7173.200000112.4L189 D193 K414 L415 A422L189-A418 HydrophobicContact CD2-CB 4.06Å; D193-A418 HydrophobicContact CB-CB 4.1Å; K414-A418 PolarHBondContact O-N 3.23Å; K414-A418 VanDerWaalsContact O-N 3.12Å; L415-A418 PolarHBondContact O-N 3.39Å; A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.82Å
419L98.4Very high97.7Very high1 Ų161.6 Ų61.61%0.00530%0.298CS..Hα-helixtrans-63.1-42.5174.3-74.1173.4000112.1L197 F284 P285 L310 I411 L415 K416 E417 A422 K423L197-L419 HydrophobicContact CD1-CD2 3.67Å; L197-L419 HydrophobicContact CD1-CG 3.93Å; L197-L419 HydrophobicContact CD2-CD1 3.89Å; L197-L419 HydrophobicContact CD2-CD2 4.2Å; L197-L419 HydrophobicContact CD2-CG 4.06Å; F284-L419 HydrophobicContact CD2-CD1 3.8Å; F284-L419 HydrophobicContact CE2-CD1 4.32Å; P285-L419 HydrophobicContact CG-CD2 4.22Å; L310-L419 HydrophobicContact CD2-CD2 3.52Å; I411-L419 HydrophobicContact CD1-CD1 4.08Å; I411-L419 HydrophobicContact CG2-CD1 4.26Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 3.25Å; K416-L419 WeakPolarHBondContact O-CB 3.09Å; K416-L419 PolarHBondContact O-N 2.91Å; E417-L419 VanDerWaalsContact C-N 3.32Å; E417-L419 PolarHBondContact O-N 3.41Å; L419-A422 PolarHBondContact O-N 2.94Å; L419-K423 VanDerWaalsContact O-CB 3.26Å; L419-K423 WeakPolarHBondContact O-CB 3.39Å; L419-K423 PolarHBondContact O-N 3.06Å
420R98.4Very high97.6Very high102 Ų10261.7 Ų61.739%0.38530%0.298SS..Hα-helixtrans-59.2-49.9177.3-173.3-170.868.475.41.9111K416 E417 K423 E424K416-R420 PolarHBondContact O-N 3.17Å; E417-R420 WeakPolarHBondContact O-CB 3.43Å; E417-R420 PolarHBondContact O-N 3.31Å; E417-R420 IonicContact OE1-CZ 2.83Å; E417-R420 IonicContact OE1-NE 2.79Å; E417-R420 PolarHBondContact OE1-NE 3.45Å; E417-R420 IonicContact OE1-NH2 3.75Å; E417-R420 PolarHBondContact OE1-NH2 2.89Å; E417-R420 IonicContact OE2-CZ 2.64Å; E417-R420 IonicContact OE2-NE 3.09Å; E417-R420 PolarHBondContact OE2-NE 3.27Å; E417-R420 IonicContact OE2-NH2 2.75Å; R420-K423 WeakPolarHBondContact O-CB 3.27Å; R420-K423 PolarHBondContact O-N 3.38Å; R420-E424 IonicContact CZ-OE1 2.79Å; R420-E424 IonicContact CZ-OE2 3.65Å; R420-E424 IonicContact NH1-OE1 3.3Å; R420-E424 PolarHBondContact NH1-OE1 3.48Å; R420-E424 IonicContact NH1-OE2 3.07Å; R420-E424 PolarHBondContact NH1-OE2 3.41Å; R420-E424 WeakPolarHBondContact O-CG 3.26Å; R420-E424 PolarHBondContact O-N 3.16Å
421I98.3Very high97.7Very high81 Ų8157.2 Ų57.242%0.41528%0.281SS..Hα-helixtrans-62.1-46.9178.8-65166.9000110.7E417 K423 E424 C425E417-I421 HydrophobicContact CG-CD1 4.25Å; E417-I421 WeakPolarHBondContact O-CG1 3.5Å; E417-I421 PolarHBondContact O-N 3Å; I421-K423 VanDerWaalsContact C-N 3.33Å; I421-K423 PolarHBondContact O-N 3.35Å; I421-E424 PolarHBondContact O-N 3.37Å; I421-C425 PolarHBondContact O-N 2.98Å; I421-C425 PolarHBondContact O-SG 3.23Å; I421-C425 VanDerWaalsContact O-SG 3.39Å
422A98.1Very high97.6Very high8 Ų860.8 Ų60.87%0.06630%0.298CS..Hα-helixtrans-60.4-43.9178.500000111.7L189 A418 L419 E424 C425 I426L189-A422 HydrophobicContact CD2-CB 3.8Å; L189-A422 HydrophobicContact CG-CB 3.91Å; A418-A422 WeakPolarHBondContact O-CB 3.43Å; A418-A422 PolarHBondContact O-N 2.82Å; L419-A422 PolarHBondContact O-N 2.94Å; A422-E424 PolarHBondContact O-N 2.89Å; A422-C425 WeakPolarHBondContact O-CB 3.33Å; A422-C425 PolarHBondContact O-N 3.49Å; A422-I426 WeakPolarHBondContact O-CG1 3.43Å; A422-I426 PolarHBondContact O-N 3.46Å; A422-I426 VanDerWaalsContact O-N 3.09Å
423K98.1Very high97.3Very high38 Ų3859.4 Ų59.417%0.16529%0.285CS..Hα-helixtrans-57.1-48174.6170.7178.6174.5-164.10111.7L330 E331 L419 R420 I421 C425 I426 E427L330-K423 HydrophobicContact CD1-CB 4.44Å; L330-K423 HydrophobicContact CD1-CD 4.47Å; L330-K423 HydrophobicContact CD1-CG 3.91Å; L330-K423 HydrophobicContact CG-CG 4.42Å; E331-K423 IonicContact OE1-NZ 2.61Å; E331-K423 PolarHBondContact OE1-NZ 3.24Å; E331-K423 WeakPolarHBondContact OE2-CE 3.47Å; E331-K423 IonicContact OE2-NZ 3.78Å; E331-K423 PolarHBondContact OE2-NZ 2.99Å; L419-K423 VanDerWaalsContact O-CB 3.26Å; L419-K423 WeakPolarHBondContact O-CB 3.39Å; L419-K423 PolarHBondContact O-N 3.06Å; R420-K423 WeakPolarHBondContact O-CB 3.27Å; R420-K423 PolarHBondContact O-N 3.38Å; I421-K423 VanDerWaalsContact C-N 3.33Å; I421-K423 PolarHBondContact O-N 3.35Å; K423-C425 VanDerWaalsContact C-N 3.27Å; K423-C425 PolarHBondContact O-N 3.49Å; K423-I426 WeakPolarHBondContact O-CB 3.4Å; K423-I426 PolarHBondContact O-N 3.06Å; K423-I426 VanDerWaalsContact O-N 3.12Å; K423-E427 WeakPolarHBondContact CE-OE1 3.33Å; K423-E427 HydrophobicContact CG-CG 4.49Å; K423-E427 IonicContact NZ-OE1 3.41Å; K423-E427 WeakPolarHBondContact O-CG 3.39Å; K423-E427 PolarHBondContact O-N 3.28Å
424E98.3Very high97.3Very high91 Ų9154.1 Ų54.143%0.42525%0.252SS..Hα-helixtrans-60.2-36.9178.2-74.6171-17900112.2R420 I421 A422 K428R420-E424 IonicContact CZ-OE1 2.79Å; R420-E424 IonicContact CZ-OE2 3.65Å; R420-E424 IonicContact NH1-OE1 3.3Å; R420-E424 PolarHBondContact NH1-OE1 3.48Å; R420-E424 IonicContact NH1-OE2 3.07Å; R420-E424 PolarHBondContact NH1-OE2 3.41Å; R420-E424 WeakPolarHBondContact O-CG 3.26Å; R420-E424 PolarHBondContact O-N 3.16Å; I421-E424 PolarHBondContact O-N 3.37Å; A422-E424 PolarHBondContact O-N 2.89Å; E424-K428 VanDerWaalsContact O-CB 3.25Å; E424-K428 WeakPolarHBondContact O-CB 3.08Å; E424-K428 PolarHBondContact O-N 2.89Å
425C98.1Very high97.2Very high44 Ų4453.1 Ų53.130%0.29725%0.248SC..Hα-helixtrans-64.6-42.2174.1-68.10000112.6Y188 I421 A422 K423 K428 R429Y188-C425 HydrophobicContact CD1-CB 3.67Å; Y188-C425 HydrophobicContact CD2-CB 3.42Å; Y188-C425 VanDerWaalsContact CD2-CB 3.42Å; Y188-C425 HydrophobicContact CE1-CB 3.97Å; Y188-C425 HydrophobicContact CE2-CB 3.73Å; Y188-C425 HydrophobicContact CG-CB 3.38Å; I421-C425 PolarHBondContact O-N 2.98Å; I421-C425 PolarHBondContact O-SG 3.23Å; I421-C425 VanDerWaalsContact O-SG 3.39Å; A422-C425 WeakPolarHBondContact O-CB 3.33Å; A422-C425 PolarHBondContact O-N 3.49Å; K423-C425 VanDerWaalsContact C-N 3.27Å; K423-C425 PolarHBondContact O-N 3.49Å; C425-K428 PolarHBondContact O-N 2.94Å; C425-R429 PolarHBondContact O-N 3.2Å
426I96.9Very high96.9Very high16 Ų1657 Ų578%0.08227%0.265CS..Hα-helixtrans-61.5-47.9176.8-61.9171.4000110.4D186 Y188 L330 A422 K423 K428 R429 L430D186-I426 HydrophobicContact CB-CD1 4.29Å; D186-I426 HydrophobicContact CB-CG1 3.97Å; Y188-I426 HydrophobicContact CD2-CG1 3.66Å; Y188-I426 HydrophobicContact CE2-CB 4.42Å; Y188-I426 HydrophobicContact CE2-CG1 3.73Å; L330-I426 HydrophobicContact CD1-CD1 4.44Å; L330-I426 HydrophobicContact CD2-CG2 4.08Å; A422-I426 WeakPolarHBondContact O-CG1 3.43Å; A422-I426 PolarHBondContact O-N 3.46Å; A422-I426 VanDerWaalsContact O-N 3.09Å; K423-I426 WeakPolarHBondContact O-CB 3.4Å; K423-I426 PolarHBondContact O-N 3.06Å; K423-I426 VanDerWaalsContact O-N 3.12Å; I426-K428 VanDerWaalsContact C-N 3.35Å; I426-K428 PolarHBondContact O-N 3.42Å; I426-R429 PolarHBondContact O-N 2.99Å; I426-L430 PolarHBondContact O-N 3.42Å
427E98.1Very high96.6Very high28 Ų2853.7 Ų53.713%0.13125%0.252CS..Hα-helixtrans-63.8-41.3179.4-68.3176.2164.300111.2T329 L330 K423 R429 L430 I431T329-E427 WeakPolarHBondContact CA-OE1 3.25Å; T329-E427 WeakPolarHBondContact CB-OE1 3.3Å; L330-E427 HydrophobicContact CG-CG 4.39Å; L330-E427 PolarHBondContact N-OE1 2.98Å; K423-E427 WeakPolarHBondContact CE-OE1 3.33Å; K423-E427 HydrophobicContact CG-CG 4.49Å; K423-E427 IonicContact NZ-OE1 3.41Å; K423-E427 WeakPolarHBondContact O-CG 3.39Å; K423-E427 PolarHBondContact O-N 3.28Å; E427-R429 PolarHBondContact O-N 3.05Å; E427-L430 PolarHBondContact O-N 2.94Å; E427-I431 VanDerWaalsContact O-CG1 3.3Å; E427-I431 WeakPolarHBondContact O-CG1 3.48Å; E427-I431 PolarHBondContact O-N 3.07Å
428K97.9Very high96.3Very high124 Ų12452.8 Ų52.854%0.53925%0.248SC..Hα-helixtrans-60.3-43.6174.4-174.2177.8-179.6179.80112E424 C425 I426 I431 E432E424-K428 VanDerWaalsContact O-CB 3.25Å; E424-K428 WeakPolarHBondContact O-CB 3.08Å; E424-K428 PolarHBondContact O-N 2.89Å; C425-K428 PolarHBondContact O-N 2.94Å; I426-K428 VanDerWaalsContact C-N 3.35Å; I426-K428 PolarHBondContact O-N 3.42Å; K428-I431 PolarHBondContact O-N 3.49Å; K428-E432 PolarHBondContact O-N 2.95Å
429R95.6Very high96Very high60 Ų6057.9 Ų57.923%0.22627%0.269CS..Hα-helixtrans-62.9-43.1175.9-178.6-176.1167.6-121-6.4111.4D15 D186 Y188 R318 C425 I426 E427 E432 E433D15-R429 IonicContact OD2-CZ 3.92Å; D15-R429 IonicContact OD2-NH1 3.71Å; D15-R429 IonicContact OD2-NH2 2.95Å; D15-R429 PolarHBondContact OD2-NH2 3.25Å; D186-R429 WeakPolarHBondContact OD1-CD 3.23Å; D186-R429 IonicContact OD1-CZ 3.64Å; D186-R429 IonicContact OD1-NE 3.58Å; D186-R429 IonicContact OD1-NH1 2.76Å; D186-R429 PolarHBondContact OD1-NH1 3.21Å; D186-R429 IonicContact OD2-NH1 3.64Å; D186-R429 PolarHBondContact OD2-NH1 3.36Å; D186-R429 VanDerWaalsContact OD2-NH1 3.07Å; Y188-R429 WeakPolarHBondContact OH-CD 3.48Å; R318-R429 VanDerWaalsContact CZ-NH1 3.34Å; C425-R429 PolarHBondContact O-N 3.2Å; I426-R429 PolarHBondContact O-N 2.99Å; E427-R429 PolarHBondContact O-N 3.05Å; R429-E432 PolarHBondContact O-N 2.82Å; R429-E433 WeakPolarHBondContact O-CB 3.49Å; R429-E433 PolarHBondContact O-N 3.39Å
430L96.1Very high95.6Very high6 Ų660.9 Ų60.93%0.03128%0.283CS..Hα-helixtrans-60.9-45176.7175.257.7000112F321 I327 V333 I426 E427 E432 E433 Q434F321-L430 HydrophobicContact CD2-CD1 3.9Å; F321-L430 HydrophobicContact CD2-CD2 4.12Å; F321-L430 HydrophobicContact CE2-CD1 3.77Å; F321-L430 HydrophobicContact CE2-CD2 3.96Å; I327-L430 WeakPolarHBondContact O-CD2 3.44Å; V333-L430 HydrophobicContact CG2-CD2 4.05Å; I426-L430 PolarHBondContact O-N 3.42Å; E427-L430 PolarHBondContact O-N 2.94Å; L430-E432 VanDerWaalsContact C-N 3.31Å; L430-E432 PolarHBondContact O-N 3.48Å; L430-E433 WeakPolarHBondContact O-CB 3.31Å; L430-E433 PolarHBondContact O-N 3.17Å; L430-Q434 HydrophobicContact CD1-CG 4.3Å; L430-Q434 WeakPolarHBondContact O-CB 3.39Å; L430-Q434 VanDerWaalsContact O-CG 3.3Å; L430-Q434 WeakPolarHBondContact O-CG 3.46Å; L430-Q434 PolarHBondContact O-N 3.24Å
431I97.3Very high95.2Very high62 Ų6260.5 Ų60.532%0.31828%0.282SS..Hα-helixtrans-61.9-40.9177.5-69.9164.3000110.9N328 E427 K428 Q434 K435N328-I431 HydrophobicContact CB-CD1 4.28Å; N328-I431 HydrophobicContact CB-CG1 3.86Å; E427-I431 VanDerWaalsContact O-CG1 3.3Å; E427-I431 WeakPolarHBondContact O-CG1 3.48Å; E427-I431 PolarHBondContact O-N 3.07Å; K428-I431 PolarHBondContact O-N 3.49Å; I431-Q434 PolarHBondContact O-N 2.92Å; I431-K435 WeakPolarHBondContact O-CG 3.44Å; I431-K435 PolarHBondContact O-N 2.81Å
432E94.9Very high94.8Very high87 Ų8764.7 Ų64.741%0.40729%0.292SS..Hα-helixtrans-65.7-44.5177.1-174.252-143.900111.8K428 R429 L430 Q434 K435 Q436K428-E432 PolarHBondContact O-N 2.95Å; R429-E432 PolarHBondContact O-N 2.82Å; L430-E432 VanDerWaalsContact C-N 3.31Å; L430-E432 PolarHBondContact O-N 3.48Å; E432-Q434 VanDerWaalsContact C-N 3.33Å; E432-Q434 PolarHBondContact O-N 3.35Å; E432-K435 WeakPolarHBondContact O-CB 3.44Å; E432-K435 PolarHBondContact O-N 2.89Å; E432-K435 IonicContact OE2-NZ 3.04Å; E432-Q436 WeakPolarHBondContact O-CG 3.3Å; E432-Q436 PolarHBondContact O-N 2.9Å; E432-Q436 PolarHBondContact OE1-NE2 3.16Å
433E93.1Very high94.3Very high38 Ų3868.6 Ų68.618%0.17831%0.311CS..Hα-helixtrans-56.3-46.1173.1-173.5-173158.400111.5R318 S322 R429 L430 K435 Q436 I437R318-E433 IonicContact CZ-OE2 3.29Å; R318-E433 VanDerWaalsContact CZ-OE2 3.31Å; R318-E433 IonicContact NE-OE2 3.12Å; R318-E433 PolarHBondContact NE-OE2 3.14Å; R318-E433 IonicContact NH2-OE2 3.7Å; R318-E433 PolarHBondContact NH2-OE2 3.13Å; S322-E433 WeakPolarHBondContact CB-OE1 3.45Å; S322-E433 PolarHBondContact OG-OE1 3.5Å; S322-E433 VanDerWaalsContact OG-OE1 3.09Å; R429-E433 WeakPolarHBondContact O-CB 3.49Å; R429-E433 PolarHBondContact O-N 3.39Å; L430-E433 WeakPolarHBondContact O-CB 3.31Å; L430-E433 PolarHBondContact O-N 3.17Å; E433-K435 VanDerWaalsContact C-N 3.34Å; E433-K435 PolarHBondContact O-N 2.92Å; E433-Q436 PolarHBondContact O-N 3.15Å; E433-I437 HydrophobicContact CG-CD1 3.92Å; E433-I437 WeakPolarHBondContact O-CG1 3.34Å; E433-I437 PolarHBondContact O-N 3.47Å
434Q95.4Very high93.7Very high8 Ų869.8 Ų69.84%0.03732%0.322CS..Hα-helixtrans-60.7-39.9177.1-77.2168.41.700112.8S322 F324 I327 L430 I431 E432 H438S322-Q434 WeakPolarHBondContact O-CG 3.29Å; F324-Q434 PolarHBondContact O-NE2 2.97Å; I327-Q434 PolarHBondContact O-NE2 3.42Å; L430-Q434 HydrophobicContact CD1-CG 4.3Å; L430-Q434 WeakPolarHBondContact O-CB 3.39Å; L430-Q434 VanDerWaalsContact O-CG 3.3Å; L430-Q434 WeakPolarHBondContact O-CG 3.46Å; L430-Q434 PolarHBondContact O-N 3.24Å; I431-Q434 PolarHBondContact O-N 2.92Å; E432-Q434 VanDerWaalsContact C-N 3.33Å; E432-Q434 PolarHBondContact O-N 3.35Å; Q434-H438 WeakPolarHBondContact O-CB 3.48Å; Q434-H438 PolarHBondContact O-N 3.42Å
435K95.1Very high93.1Very high113 Ų11374.2 Ų74.249%0.49134%0.335SS..Hα-helixtrans-62.2-47175.8-74.1172.6-174.31720110.7I431 E432 E433 H438 Q439I431-K435 WeakPolarHBondContact O-CG 3.44Å; I431-K435 PolarHBondContact O-N 2.81Å; E432-K435 WeakPolarHBondContact O-CB 3.44Å; E432-K435 PolarHBondContact O-N 2.89Å; E432-K435 IonicContact OE2-NZ 3.04Å; E433-K435 VanDerWaalsContact C-N 3.34Å; E433-K435 PolarHBondContact O-N 2.92Å; K435-H438 PolarHBondContact O-N 3.21Å; K435-Q439 WeakPolarHBondContact O-CB 3.34Å; K435-Q439 PolarHBondContact O-N 3.07Å
436Q92.6Very high92.3Very high95 Ų9574.9 Ų74.944%0.44434%0.344SS..Hα-helixtrans-62.8-47179.5-64.8174.85.900111.3I44 E432 E433 H438 Q439 H440I44-Q436 HydrophobicContact CD1-CB 3.88Å; I44-Q436 WeakPolarHBondContact CD1-O 3.48Å; E432-Q436 WeakPolarHBondContact O-CG 3.3Å; E432-Q436 PolarHBondContact O-N 2.9Å; E432-Q436 PolarHBondContact OE1-NE2 3.16Å; E433-Q436 PolarHBondContact O-N 3.15Å; Q436-H438 VanDerWaalsContact C-N 3.3Å; Q436-H438 PolarHBondContact O-N 3.41Å; Q436-Q439 PolarHBondContact O-N 2.85Å; Q436-H440 WeakPolarHBondContact O-CB 3.45Å; Q436-H440 PolarHBondContact O-N 3.38Å
437I92.3Very high91.4Very high24 Ų2480.5 Ų80.512%0.12337%0.37CS..Hα-helixtrans-57.3-45176.5-70.1167.1000110.9I44 S322 E433 R441I44-I437 VanDerWaalsContact CD1-CA 3.45Å; I44-I437 HydrophobicContact CD1-CB 4.31Å; I44-I437 HydrophobicContact CD1-CG1 3.88Å; I44-I437 VanDerWaalsContact CD1-N 3.35Å; S322-I437 WeakPolarHBondContact O-CD1 3.46Å; E433-I437 HydrophobicContact CG-CD1 3.92Å; E433-I437 WeakPolarHBondContact O-CG1 3.34Å; E433-I437 PolarHBondContact O-N 3.47Å; I437-R441 WeakPolarHBondContact O-CB 3.22Å; I437-R441 VanDerWaalsContact O-CG 3.31Å; I437-R441 WeakPolarHBondContact O-CG 3.32Å; I437-R441 PolarHBondContact O-N 3.28Å
438H91.9Very high90.3Very high67 Ų6782.9 Ų82.931%0.3139%0.389SS..Hα-helixtrans-68.7-42-179.7-175.290.2000112.7R325 Q434 K435 Q436 H440 R441 R442R325-H438 PolarHBondContact NH2-CD2 2.78Å; R325-H438 PolarHBondContact NH2-NE2 3.23Å; Q434-H438 WeakPolarHBondContact O-CB 3.48Å; Q434-H438 PolarHBondContact O-N 3.42Å; K435-H438 PolarHBondContact O-N 3.21Å; Q436-H438 VanDerWaalsContact C-N 3.3Å; Q436-H438 PolarHBondContact O-N 3.41Å; H438-H440 VanDerWaalsContact C-N 3.34Å; H438-R441 PolarHBondContact O-N 3.28Å; H438-R442 VanDerWaalsContact CD2-CD 3.49Å; H438-R442 WeakPolarHBondContact CD2-CD 3.32Å; H438-R442 VanDerWaalsContact NE2-CD 3.25Å; H438-R442 WeakPolarHBondContact NE2-CD 3.33Å; H438-R442 WeakPolarHBondContact O-CG 3.44Å; H438-R442 PolarHBondContact O-N 3.03Å
439Q91.8Very high89Confident122 Ų12283.2 Ų83.257%0.5739%0.392SS*.Hα-helixtrans-60.2-46.3175.6-179177.4-4.300110.7K435 Q436 R442 L443K435-Q439 WeakPolarHBondContact O-CB 3.34Å; K435-Q439 PolarHBondContact O-N 3.07Å; Q436-Q439 PolarHBondContact O-N 2.85Å; Q439-R442 PolarHBondContact O-N 3.39Å; Q439-L443 HydrophobicContact CG-CD1 4.12Å; Q439-L443 WeakPolarHBondContact O-CG 3.42Å; Q439-L443 PolarHBondContact O-N 3.14Å
440H90.1Very high87.3Confident64 Ų6485.7 Ų85.730%0.29641%0.406SS..Hα-helixtrans-59.1-50.6175.9-177.383.9000111.5I44 Q436 H438 R442 L443 T444I44-H440 HydrophobicContact CB-CB 4.2Å; I44-H440 HydrophobicContact CD1-CB 3.86Å; I44-H440 HydrophobicContact CG1-CB 4.39Å; I44-H440 PolarHBondContact O-CE1 3.46Å; I44-H440 PolarHBondContact O-ND1 3.39Å; Q436-H440 WeakPolarHBondContact O-CB 3.45Å; Q436-H440 PolarHBondContact O-N 3.38Å; H438-H440 VanDerWaalsContact C-N 3.34Å; H440-R442 VanDerWaalsContact C-N 3.28Å; H440-R442 PolarHBondContact O-N 2.78Å; H440-L443 PolarHBondContact O-N 2.99Å; H440-T444 PolarHBondContact O-N 3.36Å; H440-T444 PolarHBondContact O-OG1 3.37Å
441R89.5Confident85.5Confident95 Ų9588.4 Ų88.436%0.35844%0.436SS..Hα-helixtrans-56.3-40177.1-75.9173.9176.6-172.6-5.3112.9I437 H438 R445I437-R441 WeakPolarHBondContact O-CB 3.22Å; I437-R441 VanDerWaalsContact O-CG 3.31Å; I437-R441 WeakPolarHBondContact O-CG 3.32Å; I437-R441 PolarHBondContact O-N 3.28Å; H438-R441 PolarHBondContact O-N 3.28Å; R441-R445 WeakPolarHBondContact O-CB 3.42Å; R441-R445 VanDerWaalsContact O-CG 3.27Å; R441-R445 WeakPolarHBondContact O-CG 3.48Å; R441-R445 PolarHBondContact O-N 2.89Å
442R88.6Confident84.1Confident168 Ų16887.1 Ų87.163%0.63443%0.432SS*.Hα-helixtrans-64.1-46.1175.5-77.8179.260.8-162.22.1111.6H438 Q439 H440 R445 A446H438-R442 VanDerWaalsContact CD2-CD 3.49Å; H438-R442 WeakPolarHBondContact CD2-CD 3.32Å; H438-R442 VanDerWaalsContact NE2-CD 3.25Å; H438-R442 WeakPolarHBondContact NE2-CD 3.33Å; H438-R442 WeakPolarHBondContact O-CG 3.44Å; H438-R442 PolarHBondContact O-N 3.03Å; Q439-R442 PolarHBondContact O-N 3.39Å; H440-R442 VanDerWaalsContact C-N 3.28Å; H440-R442 PolarHBondContact O-N 2.78Å; R442-R445 PolarHBondContact O-N 2.88Å; R442-A446 WeakPolarHBondContact O-CB 3.43Å; R442-A446 PolarHBondContact O-N 2.7Å
443L87.6Confident82.3Confident91 Ų9189.1 Ų89.148%0.47644%0.442SS..Hα-helixtrans-63.2-46.6178.1-71.8168.2000111.5Q439 H440 R445 A446 Q447Q439-L443 HydrophobicContact CG-CD1 4.12Å; Q439-L443 WeakPolarHBondContact O-CG 3.42Å; Q439-L443 PolarHBondContact O-N 3.14Å; H440-L443 PolarHBondContact O-N 2.99Å; L443-R445 PolarHBondContact O-N 2.84Å; L443-A446 PolarHBondContact O-N 3.37Å; L443-Q447 WeakPolarHBondContact O-CB 3.45Å; L443-Q447 VanDerWaalsContact O-CG 3.32Å; L443-Q447 WeakPolarHBondContact O-CG 3.43Å; L443-Q447 PolarHBondContact O-N 2.9Å
444T85.6Confident81Confident63 Ų6394.2 Ų94.239%0.38747%0.465SS..Hα-helixtrans-60.1-43.6177.5-49.40000111.7H440 Q447 S448H440-T444 PolarHBondContact O-N 3.36Å; H440-T444 PolarHBondContact O-OG1 3.37Å; T444-Q447 PolarHBondContact O-N 3.11Å; T444-S448 PolarHBondContact O-N 2.8Å; T444-S448 PolarHBondContact O-OG 3.47Å
445R86.2Confident79.6Confident183 Ų18396 Ų9669%0.69147%0.474SS*.Hα-helixtrans-65.2-39.7175.6-73.4176.7-173.5-176.20.8112.5R441 R442 L443 S448 H449R441-R445 WeakPolarHBondContact O-CB 3.42Å; R441-R445 VanDerWaalsContact O-CG 3.27Å; R441-R445 WeakPolarHBondContact O-CG 3.48Å; R441-R445 PolarHBondContact O-N 2.89Å; R442-R445 PolarHBondContact O-N 2.88Å; L443-R445 PolarHBondContact O-N 2.84Å; R445-S448 WeakPolarHBondContact CA-OG 3.43Å; R445-S448 PolarHBondContact O-N 3.22Å; R445-S448 PolarHBondContact O-OG 3.32Å; R445-H449 WeakPolarHBondContact O-CB 3.2Å; R445-H449 PolarHBondContact O-N 3.34Å
446A80.8Confident78.3Confident59 Ų5998.5 Ų98.549%0.48848%0.48SS..Hα-helixtrans-64.9-42.317600000111.2R442 L443 H449 H450R442-A446 WeakPolarHBondContact O-CB 3.43Å; R442-A446 PolarHBondContact O-N 2.7Å; L443-A446 PolarHBondContact O-N 3.37Å; A446-H449 PolarHBondContact O-N 3.14Å; A446-H450 WeakPolarHBondContact O-CB 3.26Å; A446-H450 PolarHBondContact O-N 3.21Å
447Q78.3Confident77.4Confident134 Ų13499.1 Ų99.163%0.62648%0.481SS*.Hα-helixtrans-64.4-43.2175.8-73.7172.7-14.600112L443 T444 H449 H450 G451L443-Q447 WeakPolarHBondContact O-CB 3.45Å; L443-Q447 VanDerWaalsContact O-CG 3.32Å; L443-Q447 WeakPolarHBondContact O-CG 3.43Å; L443-Q447 PolarHBondContact O-N 2.9Å; T444-Q447 PolarHBondContact O-N 3.11Å; Q447-H449 PolarHBondContact O-N 3.41Å; Q447-H450 PolarHBondContact O-N 3.47Å; Q447-G451 PolarHBondContact O-N 2.85Å
448S76.1Confident76.7Confident78 Ų78104 Ų10455%0.54550%0.502SS..Hα-helixtrans-65.5-38.3176.567.30000112.2T444 R445 G451 S452T444-S448 PolarHBondContact O-N 2.8Å; T444-S448 PolarHBondContact O-OG 3.47Å; R445-S448 WeakPolarHBondContact CA-OG 3.43Å; R445-S448 PolarHBondContact O-N 3.22Å; R445-S448 PolarHBondContact O-OG 3.32Å; S448-G451 PolarHBondContact O-N 2.91Å; S448-S452 PolarHBondContact O-N 3.01Å; S448-S452 VanDerWaalsContact O-N 3.16Å
449H69.5Low76Confident130 Ų130105.4 Ų105.460%0.60250%0.504SS*.Hα-helixtrans-68.8-40.2176.3-164.4-78.5000111.8R445 A446 Q447 G451 S452R445-H449 WeakPolarHBondContact O-CB 3.2Å; R445-H449 PolarHBondContact O-N 3.34Å; A446-H449 PolarHBondContact O-N 3.14Å; Q447-H449 PolarHBondContact O-N 3.41Å; H449-G451 VanDerWaalsContact C-N 3.34Å; H449-S452 WeakPolarHBondContact O-CB 3.5Å; H449-S452 PolarHBondContact O-N 3.23Å; H449-S452 PolarHBondContact O-OG 3.25Å
450H59.8Low75.4Confident113 Ų113105.5 Ų105.552%0.52350%0.503SS..Hα-helixtrans-68.9-30.7176.5-169.5111.7000112.9A446 Q447 R459A446-H450 WeakPolarHBondContact O-CB 3.26Å; A446-H450 PolarHBondContact O-N 3.21Å; Q447-H450 PolarHBondContact O-N 3.47Å; H450-R459 PolarHBondContact CD2-NH1 3.28Å; H450-R459 VanDerWaalsContact CE1-CZ 3.41Å; H450-R459 PolarHBondContact CE1-NH1 2.85Å; H450-R459 PolarHBondContact CE1-NH2 2.83Å; H450-R459 VanDerWaalsContact CG-NH2 3.27Å; H450-R459 PolarHBondContact ND1-NH2 3.03Å; H450-R459 PolarHBondContact NE2-NH1 2.88Å; H450-R459 PolarHBondContact NE2-NH2 3.39Å
451G58.7Low75Confident63 Ų63107 Ų10765%0.64951%0.512SS*.THydrogen-bonded Turntrans-86.9-1.2175.500000114.9Q447 S448 H449Q447-G451 PolarHBondContact O-N 2.85Å; S448-G451 PolarHBondContact O-N 2.91Å; H449-G451 VanDerWaalsContact C-N 3.34Å
452S67.1Low74.6Confident34 Ų34107.8 Ų107.824%0.23852%0.523CS..SBendtrans-66.7146.1-179.371.30000112.1S448 H449 E454 E455 R456S448-S452 PolarHBondContact O-N 3.01Å; S448-S452 VanDerWaalsContact O-N 3.16Å; H449-S452 WeakPolarHBondContact O-CB 3.5Å; H449-S452 PolarHBondContact O-N 3.23Å; H449-S452 PolarHBondContact O-OG 3.25Å; S452-E454 PolarHBondContact O-N 2.99Å; S452-E455 PolarHBondContact O-N 3.42Å; S452-E455 WeakPolarHBondContact OG-CB 3.26Å; S452-E455 PolarHBondContact OG-N 3.41Å; S452-R456 PolarHBondContact O-N 3.34Å
453E59Low74.3Confident130 Ų130102.7 Ų102.761%0.60752%0.516SS*.Hα-helixtrans-60.8-34-177.9-135.9-146.6164.200112.1K457E453-K457 VanDerWaalsContact CD-NZ 3.25Å; E453-K457 WeakPolarHBondContact O-CB 3.36Å; E453-K457 VanDerWaalsContact O-CG 3.25Å; E453-K457 WeakPolarHBondContact O-CG 3.35Å; E453-K457 PolarHBondContact O-N 2.91Å; E453-K457 IonicContact OE1-NZ 3.29Å; E453-K457 PolarHBondContact OE1-NZ 3.12Å; E453-K457 IonicContact OE2-NZ 3.63Å; E453-K457 PolarHBondContact OE2-NZ 3.29Å
454E65.7Low74Confident144 Ų144107.3 Ų107.367%0.67353%0.527SS*.Hα-helixtrans-67.8-43177.1-73-179.6138.100112.6S452 K457 K458S452-E454 PolarHBondContact O-N 2.99Å; E454-K457 PolarHBondContact O-N 2.88Å; E454-K458 WeakPolarHBondContact O-CB 3.27Å; E454-K458 WeakPolarHBondContact O-CG 3.1Å; E454-K458 PolarHBondContact O-N 2.85Å
455E65.9Low73.8Confident46 Ų46111.1 Ų111.122%0.21554%0.539CS..Hα-helixtrans-69.3-37.3176.6-176.357.1-158.900110.9S452 K457 K458 R459S452-E455 PolarHBondContact O-N 3.42Å; S452-E455 WeakPolarHBondContact OG-CB 3.26Å; S452-E455 PolarHBondContact OG-N 3.41Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.4Å; E455-K458 PolarHBondContact O-N 3.41Å; E455-R459 WeakPolarHBondContact O-CG 3.36Å; E455-R459 PolarHBondContact O-N 3.48Å; E455-R459 IonicContact OE1-CZ 2.76Å; E455-R459 IonicContact OE1-NE 3.37Å; E455-R459 PolarHBondContact OE1-NE 3.41Å; E455-R459 IonicContact OE1-NH2 2.58Å; E455-R459 PolarHBondContact OE1-NH2 2.75Å
456R66.8Low73.7Confident166 Ų166110.3 Ų110.363%0.62654%0.54SS*.Hα-helixtrans-62.1-40.3171.4-168.4177.6-178.7-174.6-0.4111.6S452 K460S452-R456 PolarHBondContact O-N 3.34Å; R456-K460 WeakPolarHBondContact O-CG 3.48Å; R456-K460 PolarHBondContact O-N 3.04Å; R456-K460 VanDerWaalsContact O-N 3.12Å
457K74.4Confident73.5Confident107 Ų107110.9 Ų110.947%0.46554%0.541SS..Hα-helixtrans-65.9-46.6173.8-77.5168.1-177.3162.90111.3E453 E454 E455 R459 K460 I461E453-K457 VanDerWaalsContact CD-NZ 3.25Å; E453-K457 WeakPolarHBondContact O-CB 3.36Å; E453-K457 VanDerWaalsContact O-CG 3.25Å; E453-K457 WeakPolarHBondContact O-CG 3.35Å; E453-K457 PolarHBondContact O-N 2.91Å; E453-K457 IonicContact OE1-NZ 3.29Å; E453-K457 PolarHBondContact OE1-NZ 3.12Å; E453-K457 IonicContact OE2-NZ 3.63Å; E453-K457 PolarHBondContact OE2-NZ 3.29Å; E454-K457 PolarHBondContact O-N 2.88Å; E455-K457 VanDerWaalsContact C-N 3.34Å; E455-K457 PolarHBondContact O-N 3.4Å; K457-R459 PolarHBondContact O-N 3.21Å; K457-K460 PolarHBondContact O-N 3.4Å; K457-I461 WeakPolarHBondContact O-CG1 3.26Å; K457-I461 PolarHBondContact O-N 3.05Å
458K77.8Confident73.5Confident128 Ų128112 Ų11256%0.55754%0.543SS*.Hα-helixtrans-58.4-43.2176.3-79.1178.9-179.8174.30112.4E454 E455 I461 L462E454-K458 WeakPolarHBondContact O-CB 3.27Å; E454-K458 WeakPolarHBondContact O-CG 3.1Å; E454-K458 PolarHBondContact O-N 2.85Å; E455-K458 PolarHBondContact O-N 3.41Å; K458-I461 PolarHBondContact O-N 2.85Å; K458-L462 WeakPolarHBondContact O-CG 3.16Å; K458-L462 PolarHBondContact O-N 2.88Å
459R76.1Confident73.4Confident96 Ų96116.4 Ų116.436%0.36255%0.548SS..Hα-helixtrans-66.5-40.1176.5-72.8179-168.4177.810.1113.5H450 E455 K457 I461 L462 A463H450-R459 PolarHBondContact CD2-NH1 3.28Å; H450-R459 VanDerWaalsContact CE1-CZ 3.41Å; H450-R459 PolarHBondContact CE1-NH1 2.85Å; H450-R459 PolarHBondContact CE1-NH2 2.83Å; H450-R459 VanDerWaalsContact CG-NH2 3.27Å; H450-R459 PolarHBondContact ND1-NH2 3.03Å; H450-R459 PolarHBondContact NE2-NH1 2.88Å; H450-R459 PolarHBondContact NE2-NH2 3.39Å; E455-R459 WeakPolarHBondContact O-CG 3.36Å; E455-R459 PolarHBondContact O-N 3.48Å; E455-R459 IonicContact OE1-CZ 2.76Å; E455-R459 IonicContact OE1-NE 3.37Å; E455-R459 PolarHBondContact OE1-NE 3.41Å; E455-R459 IonicContact OE1-NH2 2.58Å; E455-R459 PolarHBondContact OE1-NH2 2.75Å; K457-R459 PolarHBondContact O-N 3.21Å; R459-I461 VanDerWaalsContact C-N 3.27Å; R459-I461 PolarHBondContact O-N 2.85Å; R459-L462 PolarHBondContact O-N 3.35Å; R459-A463 VanDerWaalsContact O-CB 3.26Å; R459-A463 WeakPolarHBondContact O-CB 3.07Å; R459-A463 PolarHBondContact O-N 2.91Å
460K79.4Confident73.5Confident123 Ų123112.8 Ų112.854%0.53554%0.537SS..Hα-helixtrans-60-39.9172.5-78.4-178.9176.3-175.60111.4R456 K457 R464R456-K460 WeakPolarHBondContact O-CG 3.48Å; R456-K460 PolarHBondContact O-N 3.04Å; R456-K460 VanDerWaalsContact O-N 3.12Å; K457-K460 PolarHBondContact O-N 3.4Å; K460-R464 WeakPolarHBondContact O-CB 3.33Å; K460-R464 WeakPolarHBondContact O-CG 3.43Å; K460-R464 PolarHBondContact O-N 3.04Å
461I81.4Confident74Confident95 Ų95110.3 Ų110.349%0.48754%0.536SS..Hα-helixtrans-67.8-46.1177.3-66.6164.9000111.2K457 K458 R459 R464 K465K457-I461 WeakPolarHBondContact O-CG1 3.26Å; K457-I461 PolarHBondContact O-N 3.05Å; K458-I461 PolarHBondContact O-N 2.85Å; R459-I461 VanDerWaalsContact C-N 3.27Å; R459-I461 PolarHBondContact O-N 2.85Å; I461-R464 PolarHBondContact O-N 2.92Å; I461-K465 PolarHBondContact O-N 2.71Å
462L81.6Confident74.4Confident113 Ų113113 Ų11359%0.59254%0.535SS*.Hα-helixtrans-64.3-40.5178.1-75.7165.3000112.2K458 R459 K465 K466K458-L462 WeakPolarHBondContact O-CG 3.16Å; K458-L462 PolarHBondContact O-N 2.88Å; R459-L462 PolarHBondContact O-N 3.35Å; L462-K465 PolarHBondContact O-N 3.04Å; L462-K466 WeakPolarHBondContact O-CB 3.46Å; L462-K466 PolarHBondContact O-N 2.87Å
463A81.7Confident74.1Confident60 Ų60116.3 Ų116.350%0.49655%0.547SS..Hα-helixtrans-63.1-41.9174.300000111.8R459 K466 S467R459-A463 VanDerWaalsContact O-CB 3.26Å; R459-A463 WeakPolarHBondContact O-CB 3.07Å; R459-A463 PolarHBondContact O-N 2.91Å; A463-K466 PolarHBondContact O-N 2.82Å; A463-S467 WeakPolarHBondContact O-CB 3.44Å; A463-S467 PolarHBondContact O-N 2.82Å
464R81.7Confident74Confident189 Ų189115 Ų11571%0.71354%0.544SS*.Hα-helixtrans-63.3-40.6173.5-79.1176.2168.8178.7-4.3112.4K460 I461 K468K460-R464 WeakPolarHBondContact O-CB 3.33Å; K460-R464 WeakPolarHBondContact O-CG 3.43Å; K460-R464 PolarHBondContact O-N 3.04Å; I461-R464 PolarHBondContact O-N 2.92Å; R464-K468 WeakPolarHBondContact O-CG 3.43Å; R464-K468 PolarHBondContact O-N 2.83Å
465K82.2Confident73.5Confident143 Ų143112.1 Ų112.162%0.62254%0.54SS*.Hα-helixtrans-65.9-42.2175.5-77.6-173.3174.3-173.60112I461 L462 K468 R469I461-K465 PolarHBondContact O-N 2.71Å; L462-K465 PolarHBondContact O-N 3.04Å; K465-K468 PolarHBondContact O-N 2.89Å; K465-R469 PolarHBondContact O-N 3.36Å
466K83.5Confident72.9Confident165 Ų165116.6 Ų116.672%0.71756%0.561SS**Hα-helixtrans-64.7-42.9177.1-168.5175.7-179.8-179.40111.7L462 A463 R469 S470L462-K466 WeakPolarHBondContact O-CB 3.46Å; L462-K466 PolarHBondContact O-N 2.87Å; A463-K466 PolarHBondContact O-N 2.82Å; K466-R469 PolarHBondContact O-N 3.05Å; K466-S470 PolarHBondContact O-N 2.85Å; K466-S470 PolarHBondContact O-OG 3.48Å
467S77.1Confident72.1Confident72 Ų72115.2 Ų115.250%0.50356%0.561SS.*Hα-helixtrans-64.2-38.6175.6172.50000112.9A463 S470 A471A463-S467 WeakPolarHBondContact O-CB 3.44Å; A463-S467 PolarHBondContact O-N 2.82Å; S467-S470 WeakPolarHBondContact CA-OG 3.07Å; S467-S470 PolarHBondContact O-OG 3.44Å; S467-A471 WeakPolarHBondContact O-CB 3.44Å; S467-A471 PolarHBondContact O-N 3.29Å
468K78.7Confident70.8Confident157 Ų157118 Ų11868%0.68358%0.576SS**Hα-helixtrans-65.1-39.2172.7-79.2-172.7174.6-167.40112.5R464 K465 A471 L472R464-K468 WeakPolarHBondContact O-CG 3.43Å; R464-K468 PolarHBondContact O-N 2.83Å; K465-K468 PolarHBondContact O-N 2.89Å; K468-A471 PolarHBondContact O-N 2.79Å; K468-L472 WeakPolarHBondContact O-CG 3.5Å; K468-L472 PolarHBondContact O-N 3.45Å; K468-L472 VanDerWaalsContact O-N 3.14Å
469R73.4Confident69.3Low171 Ų171116.5 Ų116.565%0.64558%0.581SS**Hα-helixtrans-66.9-44.1178-165.1176.3-170.9163.37.7111.9K465 K466 A471 L472 E473K465-R469 PolarHBondContact O-N 3.36Å; K466-R469 PolarHBondContact O-N 3.05Å; R469-A471 VanDerWaalsContact C-N 3.29Å; R469-A471 PolarHBondContact O-N 3.36Å; R469-L472 PolarHBondContact O-N 3.09Å; R469-E473 IonicContact NE-OE1 3.39Å; R469-E473 PolarHBondContact O-N 3.04Å
470S71.6Confident67.9Low53 Ų53115.8 Ų115.837%0.37160%0.596SS.*Hα-helixtrans-66.4-29175.157.70000113.2K466 S467 N474K466-S470 PolarHBondContact O-N 2.85Å; K466-S470 PolarHBondContact O-OG 3.48Å; S467-S470 WeakPolarHBondContact CA-OG 3.07Å; S467-S470 PolarHBondContact O-OG 3.44Å; S470-N474 WeakPolarHBondContact O-CB 3.42Å; S470-N474 PolarHBondContact O-N 3.02Å
471A70.1Confident66.3Low61 Ų61118.6 Ų118.650%0.50461%0.608SS.*Hα-helixtrans-71.8-33.1174.300000112.6S467 K468 R469 S475S467-A471 WeakPolarHBondContact O-CB 3.44Å; S467-A471 PolarHBondContact O-N 3.29Å; K468-A471 PolarHBondContact O-N 2.79Å; R469-A471 VanDerWaalsContact C-N 3.29Å; R469-A471 PolarHBondContact O-N 3.36Å; A471-S475 PolarHBondContact O-N 2.9Å
472L67.5Low64.4Low121 Ų121124.5 Ų124.563%0.63463%0.626SS**Hα-helixtrans-72.1-44173.9-73.1159.1000111.3K468 R469 N474 S475 E476K468-L472 WeakPolarHBondContact O-CG 3.5Å; K468-L472 PolarHBondContact O-N 3.45Å; K468-L472 VanDerWaalsContact O-N 3.14Å; R469-L472 PolarHBondContact O-N 3.09Å; L472-N474 PolarHBondContact O-N 3.28Å; L472-S475 WeakPolarHBondContact O-CB 3.35Å; L472-S475 PolarHBondContact O-N 3.29Å; L472-S475 VanDerWaalsContact O-N 3.09Å; L472-E476 PolarHBondContact O-N 3.12Å; L472-E476 VanDerWaalsContact O-N 3.13Å
473E61.3Low62.2Low102 Ų102126.8 Ų126.848%0.47764%0.639SS.*Hα-helixtrans-63.1-39.8176.6-74.1166.4-178.600112.1R469 S475 E476 E477R469-E473 IonicContact NE-OE1 3.39Å; R469-E473 PolarHBondContact O-N 3.04Å; E473-S475 VanDerWaalsContact C-N 3.28Å; E473-S475 PolarHBondContact O-N 2.87Å; E473-E476 PolarHBondContact O-N 3.01Å; E473-E477 PolarHBondContact O-N 3.37Å; E473-E477 VanDerWaalsContact O-N 3.17Å
474N56.6Low60Low103 Ų103131.8 Ų131.855%0.55166%0.657SS**Hα-helixtrans-67.7-25.4173.2-86.9-2.2000113.6S470 L472S470-N474 WeakPolarHBondContact O-CB 3.42Å; S470-N474 PolarHBondContact O-N 3.02Å; L472-N474 PolarHBondContact O-N 3.28Å
475S55.2Low57.8Low84 Ų84127.3 Ų127.359%0.58766%0.655SS**Hα-helixtrans-78.2-28.6177-162.60000112A471 L472 E473A471-S475 PolarHBondContact O-N 2.9Å; L472-S475 WeakPolarHBondContact O-CB 3.35Å; L472-S475 PolarHBondContact O-N 3.29Å; L472-S475 VanDerWaalsContact O-N 3.09Å; E473-S475 VanDerWaalsContact C-N 3.28Å; E473-S475 PolarHBondContact O-N 2.87Å
476E53.5Low55.5Low139 Ų139127.6 Ų127.665%0.6566%0.663SS**Hα-helixtrans-77-37.4174.8-72.7-179.1164.600111.7L472 E473 H478 S479L472-E476 PolarHBondContact O-N 3.12Å; L472-E476 VanDerWaalsContact O-N 3.13Å; E473-E476 PolarHBondContact O-N 3.01Å; E476-H478 VanDerWaalsContact C-N 3.29Å; E476-H478 PolarHBondContact O-N 3.45Å; E476-S479 PolarHBondContact O-N 3.31Å; E476-S479 VanDerWaalsContact O-N 3.11Å; E476-S479 PolarHBondContact O-OG 3.39Å
477E49Very low53.1Low137 Ų137126.4 Ų126.464%0.6467%0.665SS**Hα-helixtrans-65.8-25.7175-88.4-168.6161.600114.2E473 S479E473-E477 PolarHBondContact O-N 3.37Å; E473-E477 VanDerWaalsContact O-N 3.17Å; E477-S479 VanDerWaalsContact C-N 3.33Å
478H48.2Very low51.1Low165 Ų165127.7 Ų127.776%0.76467%0.674SS**THydrogen-bonded Turntrans-78.7-15.2174-84.731.5000113.6E476E476-H478 VanDerWaalsContact C-N 3.29Å; E476-H478 PolarHBondContact O-N 3.45Å
479S46.3Very low48.9Very low97 Ų97125.3 Ų125.368%0.67868%0.683SS**THydrogen-bonded Turntrans-88.3-16177.870.90000114.2E476 E477E476-S479 PolarHBondContact O-N 3.31Å; E476-S479 VanDerWaalsContact O-N 3.11Å; E476-S479 PolarHBondContact O-OG 3.39Å; E477-S479 VanDerWaalsContact C-N 3.33Å
480A46.9Very low46.9Very low81 Ų81120.9 Ų120.967%0.66969%0.691SS**SBendtrans-99.46.5-17300000115.4
481K45.5Very low45.1Very low182 Ų182124.7 Ų124.779%0.79172%0.718SS**SBendtrans-97.28.3-176.2-93.2178.7-179.6171.40116.6
482Y40.9Very low43.2Very low219 Ų219125.2 Ų125.286%0.85973%0.729SS**  trans-120.884.1167.3-87.3-87.8000109.4
483N35.5Very low41.5Very low162 Ų162124.1 Ų124.187%0.86674%0.738SS**  trans-175.6119.7139.1-92.5-22000112.4
484N35.2Very low40.1Very low165 Ų165124.2 Ų124.288%0.88275%0.75SS**  trans91123.8142.7-129.313.8000121.3
485S35.8Very low39.1Very low95 Ų95125 Ų12566%0.66476%0.763SS**  trans-84.2160.4172.1-61.80000112.5
486N33.6Very low38.8Very low148 Ų148126.3 Ų126.379%0.79177%0.77SS**  trans124.9131.4140-81.1-2000117.9
487N33.4Very low37.9Very low140 Ų140127.1 Ų127.175%0.74978%0.778SS**  trans76.6102.7147.6-81.611.9000122.1
488S34.7Very low37Very low99 Ų99126.8 Ų126.869%0.69279%0.785SS**  50128113.663.20000122.5
489A33.8Very low36.3Very low107 Ų107124.1 Ų124.188%0.88479%0.785SS**  trans75.4132.7141.800000119.7
490G31.3Very low35.9Very low78 Ų78125.8 Ų125.880%0.80479%0.794SS**  trans146104.1155.200000115.9
491S33.1Very low35.1Very low133 Ų133127.4 Ų127.493%0.9380%0.8SS**  trans-53.1162.2175-50.40000117.1
492G29.6Very low34.6Very low72 Ų72124.2 Ų124.274%0.74280%0.801SS**  trans144.6100.2142.100000116.7
493A31.8Very low34.4Very low99 Ų99120 Ų12082%0.81880%0.8SS**  trans11.3146.2142.100000118.9
494S32.3Very low34.4Very low104 Ų104118.6 Ų118.673%0.72780%0.797SS**  cis174.2146.224.222.40000107.7
495S35.4Very low34.6Very low120 Ų120116.2 Ų116.284%0.83979%0.791SS**  trans171.3154.6134-79.50000112.2
496P50.1Low34.8Very low111 Ų111117.9 Ų117.972%0.72180%0.8SS**  trans-114.5169.6-17143.8-32.7000115
497L33.6Very low34.9Very low156 Ų156115.9 Ų115.982%0.81780%0.797SS**  trans76.4113.8156.3-64.4161.2000120
498T31.2Very low34.9Very low129 Ų129115.6 Ų115.679%0.79180%0.8SS**  172139.799.739.10000113.2
499S32.1Very low34.9Very low110 Ų110116.6 Ų116.677%0.76981%0.807SS**  trans73.2130.1155.3-49.90000120.9
500P38Very low34.7Very low132 Ų132115.2 Ų115.286%0.85780%0.804SS**  trans-120.7129.7150.334-20.8000112.7
501S31Very low35Very low115 Ų115119.9 Ų119.980%0.80481%0.809SS**  trans-108.1129.1154.4-68.90000108.8
502S33.5Very low35Very low115 Ų115119.1 Ų119.180%0.80480%0.803SS**  trans54.6122147.8-500000120.9
503P38.1Very low35.6Very low130 Ų130120.6 Ų120.684%0.84481%0.809SS**PPolyproline II helixtrans-98.9135.3157.533.4-24000112.7
504T35.9Very low36.1Very low132 Ų132123.7 Ų123.781%0.8181%0.81SS**PPolyproline II helixtrans-74.6148.9162.1-12.20000110.3
505P38.1Very low36.7Very low115 Ų115123.8 Ų123.875%0.74781%0.809SS**PPolyproline II helixtrans-86.7156-179.733.3-33.9000113.4
506P40.3Very low37.7Very low131 Ų131123.7 Ų123.785%0.85181%0.805SS**PPolyproline II helixtrans-95.4157.9168.636.5-29.1000112.7
507S34.9Very low37.9Very low105 Ų105124 Ų12473%0.73481%0.807SS**  trans-104.6137.2174.647.10000110.7
508T33.7Very low39Very low134 Ų134122 Ų12282%0.82280%0.804SS**  179.3125.8129.329.90000112.6
509S34.5Very low40.3Very low120 Ų120121.5 Ų121.584%0.83980%0.803SS**  trans17.7126.5140.946.60000121.4
510G29.9Very low41.5Very low79 Ų79121.8 Ų121.881%0.81480%0.802SS**  trans-179.595.9158.300000110.7
511I37.4Very low42.3Very low175 Ų175121.1 Ų121.190%0.89780%0.797SS**  trans-80.6115.5176.8-63.5168000107.9
512S32.5Very low43.5Very low117 Ų117121 Ų12182%0.81879%0.794SS**  trans-141.5124.4154.8-96.20000107.9
513A43Very low44.6Very low104 Ų104121 Ų12186%0.8679%0.792SS**  trans-68.7128.1-175.100000111.6
514L41.9Very low45.1Very low163 Ų163121 Ų12185%0.85379%0.791SS**  trans-104.9145161.7-83.2161000108.6
515P46.4Very low45.4Very low106 Ų106119.6 Ų119.669%0.68879%0.793SS**PPolyproline II helixtrans-72157.2-173.731.5-33.6000111.5
516P55.9Low45.9Very low119 Ų119118.4 Ų118.477%0.77379%0.793SS**PPolyproline II helixtrans-66.8151.7179.128.1-33.3000111.7
517P53.5Low45.8Very low117 Ų117118.3 Ų118.376%0.7679%0.793SS**PPolyproline II helixtrans-66.7153.617628.4-33.7000111.6
518P56.3Low46Very low115 Ų115121.3 Ų121.375%0.74780%0.799SS**PPolyproline II helixtrans-66.8152.7178.828.2-33.5000111.6
519P59.6Low46.5Very low118 Ų118120.2 Ų120.277%0.76679%0.794SS**PPolyproline II helixtrans-67.6154179.528.3-33.6000112
520P58.1Low46.6Very low116 Ų116120.5 Ų120.575%0.75379%0.794SS**PPolyproline II helixtrans-66.5153.3176.627.7-33.3000111.8
521P54.8Low46.6Very low117 Ų117121.9 Ų121.976%0.7680%0.797SS**PPolyproline II helixtrans-66.9151.2-179.528.2-33.6000111.6
522P54.3Low46.3Very low114 Ų114119.2 Ų119.274%0.7479%0.794SS**PPolyproline II helixtrans-68.9151.3179.328.7-33.1000111.5
523P57.2Low46.1Very low115 Ų115120.6 Ų120.675%0.74780%0.798SS**PPolyproline II helixtrans-67.2152.1175.828.1-33.1000111.6
524P47.9Very low45.5Very low129 Ų129124.8 Ų124.884%0.83880%0.799SS**PPolyproline II helixtrans-64142.8178.424.5-30.9000111.8
525A42.7Very low44.9Very low103 Ų103121.3 Ų121.385%0.85179%0.794SS**PPolyproline II helixtrans-61.2133.2-174.700000112.8
526A49.3Very low44.5Very low90 Ų90122.3 Ų122.374%0.74480%0.801SS**PPolyproline II helixtrans-77.3150.6169.500000110.9
527P38Very low43.1Very low129 Ų129121.7 Ų121.784%0.83881%0.806SS**PPolyproline II helixtrans-66.1143.4-179.3-13.227.3000112.4
528L38.4Very low42Very low168 Ų168124.7 Ų124.788%0.8881%0.809SS**PPolyproline II helixtrans-61.9140.8179.1-73.1160.6000112.8
529P44.7Very low40.6Very low110 Ų110126.4 Ų126.471%0.71481%0.812SS**PPolyproline II helixtrans-84.1154.2165.933.1-30.1000111.5
530P36Very low39Very low127 Ų127125.7 Ų125.783%0.82581%0.81SS**PPolyproline II helixtrans-71145.4176.128.1-30.8000111.9
531A30.2Very low37.8Very low108 Ų108125.8 Ų125.889%0.89381%0.813SS**PPolyproline II helixtrans-61.4139.7-173.600000113.9
532S30.8Very low36.4Very low118 Ų118128.7 Ų128.783%0.82582%0.816SS**  trans-136128.3158.533.50000109
533T29.6Very low35.7Very low147 Ų147128.3 Ų128.390%0.90282%0.823SS**  trans-84.6138.4177.55.40000110.7
534E29.6Very low34.5Very low191 Ų191128.4 Ų128.489%0.89382%0.821SS**  trans-62165.9173.5-56.7175.3128.200112
535A29.9Very low33.8Very low90 Ų90128.8 Ų128.874%0.74482%0.816SS**  cis-171.1-16332.500000109.1
536P37.3Very low33.9Very low128 Ų128127.8 Ų127.883%0.83182%0.815SS**  -122.5160.5-53.630.2-13000112.7
537A27.5Very low33.6Very low105 Ų105129.4 Ų129.487%0.86882%0.816SS**  trans-112.9121.317100000111.9
538Q29.9Very low33.9Very low180 Ų180127.9 Ų127.984%0.84181%0.808SS**  trans-98.4155.2157.9-93.9-171.9-20.700110
539L26.6Very low34.7Very low152 Ų152127.2 Ų127.280%0.79679%0.794SS**  trans99.3106.4157.3-72.4151.5000120.2
540S25.5Very low35Very low103 Ų103124.2 Ų124.272%0.7278%0.783SS**  87.1121.7119.776.30000119.8
541S32.7Very low35.6Very low117 Ų117121.2 Ų121.282%0.81877%0.769SS**  trans-70.3121.9167.249.50000112.1
542Q27.3Very low36.8Very low178 Ų178121.2 Ų121.283%0.83275%0.753SS**  trans-139.2122.2151.4-80.2-168.6-14.900110.9
543A38.6Very low37.9Very low107 Ų107118.6 Ų118.688%0.88473%0.73SS**  trans-72.4127.2165.200000109.2
544V31.1Very low39.3Very low117 Ų117114.4 Ų114.471%0.70971%0.707SS**  trans-142.2114.3169.2-164.10000112
545N34.7Very low40.6Very low137 Ų137109.2 Ų109.273%0.73369%0.691SS**  trans15.1135.4149.7-66.2-31.6000121.4V547N545-V547 PolarHBondContact O-N 3.01Å
546G44.8Very low42.2Very low81 Ų81109.6 Ų109.684%0.83568%0.68SS**THydrogen-bonded Turntrans-66.728.1-179.300000118.1
547V41.6Very low43.2Very low125 Ų125110 Ų11076%0.75867%0.671SS**THydrogen-bonded Turntrans-84-28.2174.4-178.30000111.4N545 R549N545-V547 PolarHBondContact O-N 3.01Å; V547-R549 PolarHBondContact O-N 2.86Å
548S46Very low45Very low97 Ų97110.5 Ų110.568%0.67866%0.659SS**Hα-helixtrans-68.6-27.4-174.1-179.90000114.5G550 A551 L552S548-G550 PolarHBondContact O-N 2.84Å; S548-A551 PolarHBondContact O-N 3.38Å; S548-L552 PolarHBondContact O-N 3.38Å
549R53.6Low47Very low154 Ų154108.4 Ų108.458%0.58165%0.647SS**Hα-helixtrans-77.1-25.8-172.5-145.4172.6-166.6139.71113.9V547V547-R549 PolarHBondContact O-N 2.86Å
550G51.4Low48.9Very low47 Ų47107.5 Ų107.549%0.48564%0.639SS.*Hα-helixtrans-72.9-34.6173.700000112.7S548 L552 L553 S554S548-G550 PolarHBondContact O-N 2.84Å; G550-L552 VanDerWaalsContact C-N 3.35Å; G550-L552 PolarHBondContact O-N 3.39Å; G550-L553 PolarHBondContact O-N 2.69Å; G550-S554 PolarHBondContact O-N 2.91Å; G550-S554 VanDerWaalsContact O-N 3.1Å
551A48.9Very low50.7Low63 Ų63110.9 Ų110.952%0.52164%0.641SS.*Hα-helixtrans-65.7-36.7177.400000112.2S548 S554 S555S548-A551 PolarHBondContact O-N 3.38Å; A551-S554 PolarHBondContact O-N 3.25Å; A551-S555 VanDerWaalsContact O-CB 3.31Å; A551-S555 WeakPolarHBondContact O-CB 3.39Å; A551-S555 PolarHBondContact O-N 3.4Å
552L54.9Low52.1Low109 Ų109109.2 Ų109.257%0.57164%0.641SS**Hα-helixtrans-64.3-40.9176.5-168.970.5000112S548 G550 S555 I556S548-L552 PolarHBondContact O-N 3.38Å; G550-L552 VanDerWaalsContact C-N 3.35Å; G550-L552 PolarHBondContact O-N 3.39Å; L552-S555 PolarHBondContact O-N 3.39Å; L552-I556 HydrophobicContact CG-CD1 4.11Å; L552-I556 VanDerWaalsContact O-CG1 3.29Å; L552-I556 WeakPolarHBondContact O-CG1 3.45Å; L552-I556 PolarHBondContact O-N 3.14Å
553L55.3Low53.8Low63 Ų63105.5 Ų105.533%0.3363%0.631SS.*Hα-helixtrans-67.8-40.7177.4-70.5171.3000111.9G550 I556 Q557G550-L553 PolarHBondContact O-N 2.69Å; L553-I556 PolarHBondContact O-N 3.05Å; L553-Q557 WeakPolarHBondContact O-CB 3.45Å; L553-Q557 VanDerWaalsContact O-CG 3.27Å; L553-Q557 WeakPolarHBondContact O-CG 3.39Å; L553-Q557 PolarHBondContact O-N 2.92Å; L553-Q557 VanDerWaalsContact O-N 3.1Å
554S57.5Low55Low59 Ų59105.6 Ų105.641%0.41362%0.616SS.*Hα-helixtrans-64.4-40.4174-171.50000111.9G550 A551 I556 Q557 N558G550-S554 PolarHBondContact O-N 2.91Å; G550-S554 VanDerWaalsContact O-N 3.1Å; A551-S554 PolarHBondContact O-N 3.25Å; S554-I556 PolarHBondContact O-N 2.95Å; S554-Q557 PolarHBondContact O-N 3.21Å; S554-N558 WeakPolarHBondContact O-CB 3.39Å; S554-N558 PolarHBondContact O-N 3.21Å; S554-N558 VanDerWaalsContact O-N 3.07Å; S554-N558 PolarHBondContact O-ND2 3.09Å; S554-N558 PolarHBondContact OG-ND2 3Å
555S57.4Low56.7Low81 Ų81111.8 Ų111.857%0.56663%0.627SS**Hα-helixtrans-67.2-34.3179.3-173.70000113.2A551 L552A551-S555 VanDerWaalsContact O-CB 3.31Å; A551-S555 WeakPolarHBondContact O-CB 3.39Å; A551-S555 PolarHBondContact O-N 3.4Å; L552-S555 PolarHBondContact O-N 3.39Å
556I64.7Low58Low99 Ų99115.1 Ų115.151%0.50864%0.635SS.*Hα-helixtrans-76.3-36.7177.1-67.4166.7000110.7L552 L553 S554L552-I556 HydrophobicContact CG-CD1 4.11Å; L552-I556 VanDerWaalsContact O-CG1 3.29Å; L552-I556 WeakPolarHBondContact O-CG1 3.45Å; L552-I556 PolarHBondContact O-N 3.14Å; L553-I556 PolarHBondContact O-N 3.05Å; S554-I556 PolarHBondContact O-N 2.95Å
557Q57.7Low58.6Low136 Ų136115.4 Ų115.464%0.63663%0.629SS**Hα-helixtrans-71.6-29.2179.8-75176-8.500113.4L553 S554L553-Q557 WeakPolarHBondContact O-CB 3.45Å; L553-Q557 VanDerWaalsContact O-CG 3.27Å; L553-Q557 WeakPolarHBondContact O-CG 3.39Å; L553-Q557 PolarHBondContact O-N 2.92Å; L553-Q557 VanDerWaalsContact O-N 3.1Å; S554-Q557 PolarHBondContact O-N 3.21Å
558N64.1Low59.2Low116 Ų116119.4 Ų119.462%0.6264%0.636SS**THydrogen-bonded Turntrans-103.517.2-177.7-65.1-35.6000113.4S554 Q560S554-N558 WeakPolarHBondContact O-CB 3.39Å; S554-N558 PolarHBondContact O-N 3.21Å; S554-N558 VanDerWaalsContact O-N 3.07Å; S554-N558 PolarHBondContact O-ND2 3.09Å; S554-N558 PolarHBondContact OG-ND2 3Å; N558-Q560 PolarHBondContact O-N 3.27Å; N558-Q560 VanDerWaalsContact O-N 3.12Å
559F72.6Confident59.6Low135 Ų135120.9 Ų120.959%0.59264%0.642SS**  trans-67111.6-178.4179.6-100.8000111.5K561 L564F559-K561 HydrophobicContact CE1-CB 4.3Å; F559-L564 HydrophobicContact CE2-CD1 4.47Å; F559-L564 HydrophobicContact CE2-CD2 4.31Å; F559-L564 HydrophobicContact CZ-CD1 4Å
560Q67.6Low59.6Low133 Ų133118.6 Ų118.662%0.62165%0.648SS**  trans-103.8110.2174.3-67.2-175.3-5.800109.8N558 G562 T563N558-Q560 PolarHBondContact O-N 3.27Å; N558-Q560 VanDerWaalsContact O-N 3.12Å; Q560-G562 PolarHBondContact O-N 3.39Å; Q560-T563 HydrophobicContact CB-CG2 4.14Å; Q560-T563 PolarHBondContact O-N 3.48Å; Q560-T563 PolarHBondContact O-OG1 3.32Å
561K61.3Low59.8Low175 Ų175122.3 Ų122.376%0.76166%0.657SS**G310 helixtrans-56.8-26.9179.3-170.7177.3178.8-178.20113F559 T563F559-K561 HydrophobicContact CE1-CB 4.3Å; K561-T563 PolarHBondContact O-N 3.05Å
562G62.3Low60.2Low81 Ų81127.2 Ų127.284%0.83567%0.669SS**G310 helixtrans-76.2-11.9-178.300000115.8Q560Q560-G562 PolarHBondContact O-N 3.39Å
563T64.2Low60.2Low100 Ų100126.6 Ų126.661%0.61367%0.673SS**G310 helixtrans-97.82.8-179.158.30000113.3Q560 K561 R565Q560-T563 HydrophobicContact CB-CG2 4.14Å; Q560-T563 PolarHBondContact O-N 3.48Å; Q560-T563 PolarHBondContact O-OG1 3.32Å; K561-T563 PolarHBondContact O-N 3.05Å; T563-R565 PolarHBondContact O-N 3.13Å
564L63.3Low59.8Low109 Ų109127.5 Ų127.557%0.57169%0.69SS**PPolyproline II helixtrans-72123.2176.9-67.5172.1000110.2F559 K566F559-L564 HydrophobicContact CE2-CD1 4.47Å; F559-L564 HydrophobicContact CE2-CD2 4.31Å; F559-L564 HydrophobicContact CZ-CD1 4Å; L564-K566 PolarHBondContact O-N 3.44Å
565R67.5Low59.6Low247 Ų247130.3 Ų130.393%0.93271%0.707SS**PPolyproline II helixtrans-62.5130.8170-72.2-173.8177-174.5-0.5108.9T563 A567T563-R565 PolarHBondContact O-N 3.13Å; R565-A567 PolarHBondContact O-N 3.17Å
566K61.2Low59.3Low207 Ų207136.3 Ų136.390%0.972%0.723SS**PPolyproline II helixtrans-59.7121171.2-72.4-176.4178.3-179.80108.7L564 K568L564-K566 PolarHBondContact O-N 3.44Å; K566-K568 PolarHBondContact O-N 3.11Å
567A56.5Low58.5Low88 Ų88139.9 Ų139.973%0.72774%0.741SS**PPolyproline II helixtrans-69.4125.9173.200000109.1R565 T569R565-A567 PolarHBondContact O-N 3.17Å; A567-T569 PolarHBondContact O-N 3.33Å
568K54.8Low57.6Low208 Ų208140.3 Ų140.390%0.90478%0.782SS**  trans-78.1108.6163.4-91.1-174.3174.3-177.10107.3K566K566-K568 PolarHBondContact O-N 3.11Å
569T55.1Low57.3Low128 Ų128141.5 Ų141.579%0.78579%0.79SS**  trans-84.6116.5168.144.40000108.6A567 D571A567-T569 PolarHBondContact O-N 3.33Å; T569-D571 PolarHBondContact O-N 2.75Å
570C54Low56.5Low106 Ų106141.8 Ų141.872%0.71680%0.8SS**  trans-82.1105.4165.6-74.40000107.8
571D55.3Low55.9Low125 Ų125142.3 Ų142.367%0.66881%0.81SS**  trans-81.2121.9174.6-172.2-1.4000109.5T569 S573T569-D571 PolarHBondContact O-N 2.75Å; D571-S573 WeakPolarHBondContact OD1-CB 3.17Å; D571-S573 PolarHBondContact OD1-N 3.19Å; D571-S573 PolarHBondContact OD1-OG 2.94Å; D571-S573 PolarHBondContact OD2-OG 3.18Å
572H57.3Low55.6Low167 Ų167140.4 Ų140.477%0.77381%0.813SS**  trans-111.421.6177.2-71.2-65.9000112.2A574H572-A574 PolarHBondContact O-N 2.62Å
573S54.7Low55.2Low95 Ų95144.1 Ų144.166%0.66481%0.811SS**  trans-77.810.1-175.461.30000115.9D571D571-S573 WeakPolarHBondContact OD1-CB 3.17Å; D571-S573 PolarHBondContact OD1-N 3.19Å; D571-S573 PolarHBondContact OD1-OG 2.94Å; D571-S573 PolarHBondContact OD2-OG 3.18Å
574A47.3Very low54.6Low83 Ų83147.1 Ų147.169%0.68683%0.825SS**SBendtrans-84.2127.5172.700000111.4H572 K576H572-A574 PolarHBondContact O-N 2.62Å; A574-K576 PolarHBondContact O-N 3.47Å
575P53Low53.9Low117 Ų117149.8 Ų149.876%0.7684%0.843SS**  trans-71.5129176.627.4-29.9000110.3I577P575-I577 PolarHBondContact O-N 3.34Å
576K50.3Low52.9Low208 Ų208142.3 Ų142.390%0.90484%0.836SS**  trans-74.7112.3166.9-72.1-176.6178.1-179.30108A574A574-K576 PolarHBondContact O-N 3.47Å
577I47.9Very low52.2Low174 Ų174136.9 Ų136.989%0.89283%0.83SS**  trans-82.6120162.4-58.6175.6000106.1P575P575-I577 PolarHBondContact O-N 3.34Å
578G40.4Very low51.8Low144 Ų144141.4 Ų141.4100%1.48584%0.84SS**  trans1670-179.500000110.5

Retrieved 578 of 578 residues in 2433.8 ms (Link to these results)

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