X5LV99_CAEEL Loading...

Solute carrier organic anion transporter family member

AlphaFold DB , UniProt , Accession X5LV99, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 642 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low58.3Low205 Ų20582 Ų82100%1.0148%0.476SS*.  093.20-73.7177.5176.800107
2G34.3Very low59.4Low61 Ų6184.1 Ų84.163%0.62950%0.498SS*.  trans-76.9174.4-168.900000114.7A4G2-A4 PolarHBondContact O-N 3.37Å
3E38.8Very low60.6Low183 Ų18395.2 Ų95.286%0.85553%0.527SS*.SBendtrans-44.2-0.1-169.7-78.2162.2129.700119.4D5E3-D5 VanDerWaalsContact C-N 3.33Å; E3-D5 PolarHBondContact O-N 3.42Å
4A45.1Very low61.8Low98 Ų9896.4 Ų96.481%0.8152%0.524SS*.THydrogen-bonded Turntrans-77.5-3.1-171.400000116.2G2G2-A4 PolarHBondContact O-N 3.37Å
5D56.5Low63Low61 Ų6198.9 Ų98.933%0.32652%0.523SS..THydrogen-bonded Turntrans-104.10.4-173.7-83.6-26000114.7E3 T7 R264E3-D5 VanDerWaalsContact C-N 3.33Å; E3-D5 PolarHBondContact O-N 3.42Å; D5-T7 PolarHBondContact O-N 2.96Å; D5-T7 VanDerWaalsContact O-N 3.14Å; D5-R264 HydrophobicContact CB-CG 4.41Å; D5-R264 IonicContact OD2-CZ 2.63Å; D5-R264 IonicContact OD2-NE 3.54Å; D5-R264 IonicContact OD2-NH1 3.29Å; D5-R264 PolarHBondContact OD2-NH1 3.47Å; D5-R264 IonicContact OD2-NH2 3.98Å; D5-R264 PolarHBondContact OD2-NH2 3.42Å
6E61.5Low64Low91 Ų9194.3 Ų94.343%0.42550%0.501SS..  trans-8192178.8-64.4-163.7171.700111.2
7T65.2Low64.8Low71 Ų71100.2 Ų100.244%0.43652%0.521SS..PPolyproline II helixtrans-85.6145.4173.2550000111.4D5 P262D5-T7 PolarHBondContact O-N 2.96Å; D5-T7 VanDerWaalsContact O-N 3.14Å; T7-P262 WeakPolarHBondContact O-CB 3.35Å; T7-P262 WeakPolarHBondContact O-CG 3.47Å; T7-P262 WeakPolarHBondContact OG1-CA 3.37Å; T7-P262 WeakPolarHBondContact OG1-CB 3.37Å
8P73.7Confident65.6Low49 Ų4998.3 Ų98.332%0.31853%0.53SS..PPolyproline II helixtrans-68.5156.6173.929-35.5000111.8R15P8-R15 HydrophobicContact CG-CG 4.4Å
9F79.7Confident66.5Low3 Ų396.7 Ų96.71%0.01352%0.521CS..SBendtrans-63.8133.1173.1-178.2-90.4000110.6L19 Q20 L22 M260 F261F9-L19 HydrophobicContact CD1-CB 4.23Å; F9-L19 HydrophobicContact CE1-CB 4.3Å; F9-Q20 PolarHBondContact O-NE2 3.2Å; F9-L22 HydrophobicContact CD2-CB 4.05Å; F9-L22 HydrophobicContact CE1-CD1 3.84Å; F9-L22 HydrophobicContact CE2-CB 4Å; F9-L22 HydrophobicContact CE2-CD1 4.2Å; F9-L22 HydrophobicContact CG-CB 4.35Å; F9-L22 HydrophobicContact CZ-CB 4.24Å; F9-L22 HydrophobicContact CZ-CD1 3.63Å; F9-M260 HydrophobicContact CD1-CB 4.26Å; F9-M260 HydrophobicContact CD2-CB 4.17Å; F9-M260 WeakPolarHBondContact CD2-O 3.35Å; F9-M260 HydrophobicContact CE1-CB 3.7Å; F9-M260 HydrophobicContact CE1-CG 4.38Å; F9-M260 HydrophobicContact CE1-SD 3.73Å; F9-M260 HydrophobicContact CE2-CB 3.6Å; F9-M260 HydrophobicContact CG-CB 4.47Å; F9-M260 HydrophobicContact CZ-CB 3.34Å; F9-M260 HydrophobicContact CZ-CG 4.23Å; F9-M260 HydrophobicContact CZ-SD 3.93Å; F9-F261 HydrophobicContact CD2-CD1 4.29Å; F9-F261 HydrophobicContact CD2-CD2 4.37Å; F9-F261 HydrophobicContact CD2-CG 4.21Å; F9-F261 HydrophobicContact CE2-CD1 4.41Å; F9-F261 AromaticContact CE2-CD2 3.75Å; F9-F261 HydrophobicContact CE2-CD2 3.75Å; F9-F261 HydrophobicContact CE2-CE1 4.49Å; F9-F261 AromaticContact CE2-CE2 3.84Å; F9-F261 HydrophobicContact CE2-CE2 3.84Å; F9-F261 HydrophobicContact CE2-CG 4.05Å; F9-F261 HydrophobicContact CE2-CZ 4.21Å
10G78.1Confident67.3Low10 Ų1094.4 Ų94.410%0.10351%0.506CS..SBendtrans135.1179.5175.900000115.1F14 M260G10-F14 CarbonylContact C-O 3.57Å; G10-F14 VanDerWaalsContact CA-O 3.24Å; G10-F14 WeakPolarHBondContact CA-O 3.34Å; G10-M260 PolarHBondContact N-O 2.67Å
11F71.6Confident68Low70 Ų7097.1 Ų97.131%0.30751%0.51SS..  trans-81.7162.9168.9-80.6-82.6000110.6W13 F14 R15 I259 M260F11-W13 PolarHBondContact O-N 3.29Å; F11-F14 HydrophobicContact CB-CB 4.37Å; F11-F14 PolarHBondContact N-O 3.28Å; F11-F14 CarbonylContact O-C 3.6Å; F11-F14 PolarHBondContact O-N 3.38Å; F11-R15 WeakPolarHBondContact O-CG 3.49Å; F11-I259 HydrophobicContact CE1-CG2 3.93Å; F11-I259 HydrophobicContact CZ-CB 4.41Å; F11-I259 HydrophobicContact CZ-CG2 3.59Å; F11-M260 HydrophobicContact CD2-CE 3.87Å; F11-M260 HydrophobicContact CD2-CG 4.02Å; F11-M260 HydrophobicContact CE2-CE 3.74Å; F11-M260 HydrophobicContact CE2-CG 3.84Å
12S71.7Confident70.2Confident107 Ų10788.3 Ų88.375%0.74847%0.467SS*.SBendtrans-45.4-41.4-179.8-167.10000113
13W75.7Confident72.5Confident229 Ų22986.1 Ų86.187%0.86744%0.442SS*.SBendtrans-101.4-13.7-177.160.2-66.8000114.5F11F11-W13 PolarHBondContact O-N 3.29Å
14F76.5Confident74.7Confident111 Ų11180.1 Ų80.149%0.48742%0.415SS..  trans-127.493.9-175.8-170.5-105.7000110.3G10 F11 P16G10-F14 CarbonylContact C-O 3.57Å; G10-F14 VanDerWaalsContact CA-O 3.24Å; G10-F14 WeakPolarHBondContact CA-O 3.34Å; F11-F14 HydrophobicContact CB-CB 4.37Å; F11-F14 PolarHBondContact N-O 3.28Å; F11-F14 CarbonylContact O-C 3.6Å; F11-F14 PolarHBondContact O-N 3.38Å; F14-P16 VanDerWaalsContact C-CD 3.45Å; F14-P16 HydrophobicContact CD1-CG 4.19Å; F14-P16 HydrophobicContact CE1-CB 4.4Å; F14-P16 HydrophobicContact CE1-CG 3.81Å; F14-P16 HydrophobicContact CZ-CB 4.49Å; F14-P16 HydrophobicContact CZ-CG 4.38Å; F14-P16 VanDerWaalsContact O-CD 3.3Å; F14-P16 WeakPolarHBondContact O-CD 3.43Å
15R80.7Confident76.7Confident134 Ų13476.4 Ų76.451%0.50638%0.381SS..  trans-119.476.6-178.6-65.1176.1-179.7-170.94110.4P8 F11 K17P8-R15 HydrophobicContact CG-CG 4.4Å; F11-R15 WeakPolarHBondContact O-CG 3.49Å; R15-K17 PolarHBondContact O-N 3.43Å
16P79.1Confident78.3Confident26 Ų2679.7 Ų79.717%0.16940%0.397CS..  trans-61.9121.9-177.920.3-29.9000111.3F14 G18 L19 Q20F14-P16 VanDerWaalsContact C-CD 3.45Å; F14-P16 HydrophobicContact CD1-CG 4.19Å; F14-P16 HydrophobicContact CE1-CB 4.4Å; F14-P16 HydrophobicContact CE1-CG 3.81Å; F14-P16 HydrophobicContact CZ-CB 4.49Å; F14-P16 HydrophobicContact CZ-CG 4.38Å; F14-P16 VanDerWaalsContact O-CD 3.3Å; F14-P16 WeakPolarHBondContact O-CD 3.43Å; P16-G18 VanDerWaalsContact C-N 3.32Å; P16-G18 PolarHBondContact O-N 2.98Å; P16-L19 HydrophobicContact CB-CB 4.18Å; P16-L19 HydrophobicContact CB-CD1 3.9Å; P16-L19 HydrophobicContact CB-CG 4.34Å; P16-L19 HydrophobicContact CG-CB 3.91Å; P16-L19 HydrophobicContact CG-CD1 3.54Å; P16-L19 HydrophobicContact CG-CG 4.24Å; P16-L19 PolarHBondContact O-N 3.01Å; P16-Q20 PolarHBondContact O-NE2 3.12Å
17K76.9Confident79.7Confident195 Ų19576.1 Ų76.185%0.84838%0.382SS*.G310 helixtrans-61.6-39.4178.2-70.2-174.9178.1179.70112R15 L19 Q20R15-K17 PolarHBondContact O-N 3.43Å; K17-L19 PolarHBondContact O-N 3.31Å; K17-Q20 WeakPolarHBondContact O-CG 3.42Å; K17-Q20 PolarHBondContact O-N 2.92Å
18G79.5Confident81Confident66 Ų6672.8 Ų72.868%0.6836%0.361SS*.G310 helixtrans-69.2-13.7-179.900000115.2P16 W21P16-G18 VanDerWaalsContact C-N 3.32Å; P16-G18 PolarHBondContact O-N 2.98Å; G18-W21 PolarHBondContact O-NE1 3.19Å
19L83.2Confident81.9Confident68 Ų6871.3 Ų71.336%0.35635%0.35SS..G310 helixtrans-104.63.5179.2-73.9164.6000112.8F9 P16 K17 W21 L22F9-L19 HydrophobicContact CD1-CB 4.23Å; F9-L19 HydrophobicContact CE1-CB 4.3Å; P16-L19 HydrophobicContact CB-CB 4.18Å; P16-L19 HydrophobicContact CB-CD1 3.9Å; P16-L19 HydrophobicContact CB-CG 4.34Å; P16-L19 HydrophobicContact CG-CB 3.91Å; P16-L19 HydrophobicContact CG-CD1 3.54Å; P16-L19 HydrophobicContact CG-CG 4.24Å; P16-L19 PolarHBondContact O-N 3.01Å; K17-L19 PolarHBondContact O-N 3.31Å; L19-W21 PolarHBondContact O-N 2.99Å; L19-W21 VanDerWaalsContact O-N 3.16Å; L19-L22 HydrophobicContact CB-CD1 4.35Å; L19-L22 HydrophobicContact CD2-CD1 3.74Å; L19-L22 HydrophobicContact CD2-CG 4.43Å; L19-L22 VanDerWaalsContact O-CB 3.28Å; L19-L22 WeakPolarHBondContact O-CB 3.15Å; L19-L22 PolarHBondContact O-N 3.3Å
20Q82Confident82.5Confident50 Ų5074.6 Ų74.623%0.23437%0.374CS..G310 helixtrans-64.4-20.5-179.8-66.6-56.7-38.400113.2F9 P16 K17 L22 S23F9-Q20 PolarHBondContact O-NE2 3.2Å; P16-Q20 PolarHBondContact O-NE2 3.12Å; K17-Q20 WeakPolarHBondContact O-CG 3.42Å; K17-Q20 PolarHBondContact O-N 2.92Å; Q20-L22 PolarHBondContact O-N 2.73Å; Q20-S23 VanDerWaalsContact O-CB 3.31Å; Q20-S23 WeakPolarHBondContact O-CB 3.35Å; Q20-S23 PolarHBondContact O-N 3.09Å; Q20-S23 PolarHBondContact O-OG 2.63Å
21W82.2Confident83.3Confident152 Ų15275.6 Ų75.658%0.57638%0.376SS*.G310 helixtrans-60.5-23.5172.270.4-91.4000112.7G18 L19 S23 N24 P27G18-W21 PolarHBondContact O-NE1 3.19Å; L19-W21 PolarHBondContact O-N 2.99Å; L19-W21 VanDerWaalsContact O-N 3.16Å; W21-S23 PolarHBondContact O-N 3.1Å; W21-N24 WeakPolarHBondContact O-CB 3.11Å; W21-N24 PolarHBondContact O-N 2.71Å; W21-N24 PolarHBondContact O-ND2 3.27Å; W21-P27 HydrophobicContact CE3-CB 4.45Å; W21-P27 HydrophobicContact CE3-CG 3.72Å; W21-P27 HydrophobicContact CZ3-CB 4.1Å; W21-P27 HydrophobicContact CZ3-CG 3.66Å
22L82.5Confident84.4Confident20 Ų2072.2 Ų72.211%0.10536%0.362CS..G310 helixtrans-66.1-20.7173.4-67.9177.2000112.5F9 L19 Q20 N24 P27 I31 F261F9-L22 HydrophobicContact CD2-CB 4.05Å; F9-L22 HydrophobicContact CE1-CD1 3.84Å; F9-L22 HydrophobicContact CE2-CB 4Å; F9-L22 HydrophobicContact CE2-CD1 4.2Å; F9-L22 HydrophobicContact CG-CB 4.35Å; F9-L22 HydrophobicContact CZ-CB 4.24Å; F9-L22 HydrophobicContact CZ-CD1 3.63Å; L19-L22 HydrophobicContact CB-CD1 4.35Å; L19-L22 HydrophobicContact CD2-CD1 3.74Å; L19-L22 HydrophobicContact CD2-CG 4.43Å; L19-L22 VanDerWaalsContact O-CB 3.28Å; L19-L22 WeakPolarHBondContact O-CB 3.15Å; L19-L22 PolarHBondContact O-N 3.3Å; Q20-L22 PolarHBondContact O-N 2.73Å; L22-N24 PolarHBondContact O-N 3.27Å; L22-N24 VanDerWaalsContact O-N 3.09Å; L22-P27 HydrophobicContact CD2-CB 3.75Å; L22-P27 HydrophobicContact CD2-CG 4.46Å; L22-I31 HydrophobicContact CD2-CD1 4.47Å; L22-F261 WeakPolarHBondContact O-CE1 3.14Å; L22-F261 WeakPolarHBondContact O-CZ 3.22Å
23S81.7Confident85.5Confident15 Ų1567.9 Ų67.911%0.10533%0.331CS..G310 helixtrans-70.50.7177.469.80000114.8Q20 W21 L265Q20-S23 VanDerWaalsContact O-CB 3.31Å; Q20-S23 WeakPolarHBondContact O-CB 3.35Å; Q20-S23 PolarHBondContact O-N 3.09Å; Q20-S23 PolarHBondContact O-OG 2.63Å; W21-S23 PolarHBondContact O-N 3.1Å; S23-L265 WeakPolarHBondContact O-CD2 3.37Å
24N86.1Confident86.4Confident57 Ų5758.5 Ų58.531%0.30530%0.303SS..SBendtrans-81.6163175.5-69.1-49.7000112.4W21 L22 I26 P27 F28W21-N24 WeakPolarHBondContact O-CB 3.11Å; W21-N24 PolarHBondContact O-N 2.71Å; W21-N24 PolarHBondContact O-ND2 3.27Å; L22-N24 PolarHBondContact O-N 3.27Å; L22-N24 VanDerWaalsContact O-N 3.09Å; N24-I26 PolarHBondContact O-N 2.61Å; N24-P27 HydrophobicContact CB-CG 4.4Å; N24-P27 WeakPolarHBondContact O-CD 3.11Å; N24-F28 PolarHBondContact O-N 3.07Å
25F87.4Confident87.4Confident20 Ų2053.2 Ų53.29%0.08828%0.28CS..Hα-helixtrans-64-39.3179.9-177.4-100.4000114.1F28 M29 L178 F181 D182 N190 L265F25-F28 PolarHBondContact O-N 3.41Å; F25-M29 HydrophobicContact CE1-CB 4.34Å; F25-M29 VanDerWaalsContact O-CB 3.28Å; F25-M29 WeakPolarHBondContact O-CB 3.45Å; F25-M29 PolarHBondContact O-N 3Å; F25-L178 HydrophobicContact CE2-CD2 4.21Å; F25-L178 HydrophobicContact CZ-CD2 4.12Å; F25-F181 HydrophobicContact CD2-CB 3.82Å; F25-F181 HydrophobicContact CE2-CB 3.99Å; F25-D182 HydrophobicContact CD2-CB 4.27Å; F25-D182 HydrophobicContact CE1-CB 4.21Å; F25-D182 HydrophobicContact CE2-CB 3.74Å; F25-D182 HydrophobicContact CZ-CB 3.71Å; F25-N190 HydrophobicContact CZ-CB 4.46Å; F25-N190 VanDerWaalsContact CZ-ND2 3.33Å; F25-N190 WeakPolarHBondContact CZ-ND2 3.36Å; F25-L265 HydrophobicContact CB-CD1 4.4Å; F25-L265 HydrophobicContact CD2-CD1 4.2Å
26I89.9Confident88.1Confident129 Ų12946.9 Ų46.966%0.66226%0.255SS*.Hα-helixtrans-65.6-51.3-175.4-60.5170.2000111.4N24 F28 M29 S30N24-I26 PolarHBondContact O-N 2.61Å; I26-F28 VanDerWaalsContact C-N 3.34Å; I26-F28 PolarHBondContact O-N 3.46Å; I26-M29 PolarHBondContact O-N 3.21Å; I26-S30 PolarHBondContact O-N 3.17Å; I26-S30 PolarHBondContact O-OG 3.47Å; I26-S30 VanDerWaalsContact O-OG 3.11Å
27P91.1Very high88.9Confident17 Ų1748.2 Ų48.211%0.1126%0.26CS..Hα-helixtrans-61.5-39.9176-23.935.2000113.2W21 L22 N24 S30 I31W21-P27 HydrophobicContact CE3-CB 4.45Å; W21-P27 HydrophobicContact CE3-CG 3.72Å; W21-P27 HydrophobicContact CZ3-CB 4.1Å; W21-P27 HydrophobicContact CZ3-CG 3.66Å; L22-P27 HydrophobicContact CD2-CB 3.75Å; L22-P27 HydrophobicContact CD2-CG 4.46Å; N24-P27 HydrophobicContact CB-CG 4.4Å; N24-P27 WeakPolarHBondContact O-CD 3.11Å; P27-S30 PolarHBondContact O-N 3.07Å; P27-I31 WeakPolarHBondContact O-CG1 3.42Å; P27-I31 PolarHBondContact O-N 3.3Å
28F92Very high89.8Confident0 Ų039.6 Ų39.60%022%0.223CC..Hα-helixtrans-55.6-52.9173.5171.7-104.1000111.5N24 F25 I26 S30 I31 L32 V93 C177 L178 F181 F261 L265N24-F28 PolarHBondContact O-N 3.07Å; F25-F28 PolarHBondContact O-N 3.41Å; I26-F28 VanDerWaalsContact C-N 3.34Å; I26-F28 PolarHBondContact O-N 3.46Å; F28-S30 VanDerWaalsContact C-N 3.32Å; F28-S30 PolarHBondContact O-N 3.37Å; F28-I31 PolarHBondContact O-N 3.2Å; F28-L32 HydrophobicContact CE1-CD2 3.91Å; F28-L32 HydrophobicContact CZ-CD2 3.87Å; F28-L32 VanDerWaalsContact O-CB 3.25Å; F28-L32 WeakPolarHBondContact O-CB 3.44Å; F28-L32 PolarHBondContact O-N 3.36Å; F28-V93 HydrophobicContact CD2-CG1 4.42Å; F28-V93 HydrophobicContact CE2-CG1 3.75Å; F28-V93 HydrophobicContact CE2-CG2 3.96Å; F28-V93 HydrophobicContact CZ-CG2 4.39Å; F28-C177 HydrophobicContact CE1-CB 4.33Å; F28-C177 HydrophobicContact CZ-CB 3.92Å; F28-L178 HydrophobicContact CE1-CD2 4.09Å; F28-F181 AromaticContact CD1-CD2 3.91Å; F28-F181 HydrophobicContact CD1-CD2 3.91Å; F28-F181 HydrophobicContact CD1-CE2 4.38Å; F28-F181 AromaticContact CE1-CD2 3.52Å; F28-F181 HydrophobicContact CE1-CD2 3.52Å; F28-F181 AromaticContact CE1-CE2 3.82Å; F28-F181 HydrophobicContact CE1-CE2 3.82Å; F28-F181 HydrophobicContact CE2-CE2 4.08Å; F28-F181 AromaticContact CZ-CD2 3.88Å; F28-F181 HydrophobicContact CZ-CD2 3.88Å; F28-F181 AromaticContact CZ-CE2 3.65Å; F28-F181 HydrophobicContact CZ-CE2 3.65Å; F28-F261 HydrophobicContact CB-CD1 4.22Å; F28-F261 HydrophobicContact CB-CE1 3.56Å; F28-F261 HydrophobicContact CB-CZ 4.05Å; F28-F261 AromaticContact CD2-CD1 3.88Å; F28-F261 HydrophobicContact CD2-CD1 3.88Å; F28-F261 AromaticContact CD2-CE1 3.95Å; F28-F261 HydrophobicContact CD2-CE1 3.95Å; F28-F261 HydrophobicContact CD2-CG 4.22Å; F28-F261 HydrophobicContact CD2-CZ 4.37Å; F28-F261 HydrophobicContact CG-CE1 4.25Å; F28-L265 HydrophobicContact CB-CD1 3.73Å; F28-L265 HydrophobicContact CB-CD2 4.37Å; F28-L265 HydrophobicContact CD1-CD1 3.87Å; F28-L265 HydrophobicContact CG-CD1 3.78Å
29M91.8Very high90.6Very high18 Ų1836.7 Ų36.79%0.08919%0.192CC..Hα-helixtrans-59-43.1179.8176.759.4-177.200111.7F25 I26 S33 L178 N190 L193F25-M29 HydrophobicContact CE1-CB 4.34Å; F25-M29 VanDerWaalsContact O-CB 3.28Å; F25-M29 WeakPolarHBondContact O-CB 3.45Å; F25-M29 PolarHBondContact O-N 3Å; I26-M29 PolarHBondContact O-N 3.21Å; M29-S33 WeakPolarHBondContact CE-OG 3.48Å; M29-S33 WeakPolarHBondContact O-CB 3.28Å; M29-S33 PolarHBondContact O-N 3.04Å; M29-S33 PolarHBondContact O-OG 2.9Å; M29-L178 HydrophobicContact SD-CD1 4.02Å; M29-L178 HydrophobicContact SD-CD2 3.26Å; M29-L178 WeakPolarHBondContact SD-CD2 3.49Å; M29-L178 HydrophobicContact SD-CG 4.29Å; M29-N190 WeakPolarHBondContact CE-O 3.28Å; M29-L193 HydrophobicContact CE-CB 3.75Å
30S93.2Very high91.1Very high72 Ų7233.5 Ų33.550%0.50318%0.175SC..Hα-helixtrans-63-46.7178.3-62.90000112.3I26 P27 F28 S33 A34I26-S30 PolarHBondContact O-N 3.17Å; I26-S30 PolarHBondContact O-OG 3.47Å; I26-S30 VanDerWaalsContact O-OG 3.11Å; P27-S30 PolarHBondContact O-N 3.07Å; F28-S30 VanDerWaalsContact C-N 3.32Å; F28-S30 PolarHBondContact O-N 3.37Å; S30-S33 PolarHBondContact O-N 3.49Å; S30-A34 WeakPolarHBondContact O-CB 3.48Å; S30-A34 PolarHBondContact O-N 3.1Å
31I94.4Very high91.7Very high31 Ų3131.4 Ų31.416%0.15917%0.167CC..Hα-helixtrans-68.5-41.6-179.9-66.7166.8000110.8L22 P27 F28 S33 A34 N35 P257 L258 F261L22-I31 HydrophobicContact CD2-CD1 4.47Å; P27-I31 WeakPolarHBondContact O-CG1 3.42Å; P27-I31 PolarHBondContact O-N 3.3Å; F28-I31 PolarHBondContact O-N 3.2Å; I31-S33 VanDerWaalsContact C-N 3.32Å; I31-S33 PolarHBondContact O-N 3.41Å; I31-A34 PolarHBondContact O-N 2.88Å; I31-N35 PolarHBondContact O-N 3.1Å; I31-N35 VanDerWaalsContact O-N 3.08Å; I31-N35 PolarHBondContact O-ND2 2.88Å; I31-P257 HydrophobicContact CD1-CB 3.93Å; I31-P257 HydrophobicContact CG2-CB 4.25Å; I31-L258 HydrophobicContact CB-CD2 4.49Å; I31-L258 HydrophobicContact CG2-CD1 4.5Å; I31-L258 HydrophobicContact CG2-CD2 3.68Å; I31-L258 HydrophobicContact CG2-CG 3.71Å; I31-F261 HydrophobicContact CD1-CE2 3.75Å; I31-F261 HydrophobicContact CD1-CZ 3.89Å
32L94.6Very high92.4Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-61.6-42.6175.8-173.270.7000111.2F28 N35 A36 I96 L170 L178 Y194F28-L32 HydrophobicContact CE1-CD2 3.91Å; F28-L32 HydrophobicContact CZ-CD2 3.87Å; F28-L32 VanDerWaalsContact O-CB 3.25Å; F28-L32 WeakPolarHBondContact O-CB 3.44Å; F28-L32 PolarHBondContact O-N 3.36Å; L32-N35 PolarHBondContact O-N 3.18Å; L32-A36 PolarHBondContact O-N 3.11Å; L32-I96 HydrophobicContact CD1-CD1 4.03Å; L32-I96 HydrophobicContact CD1-CG2 4.04Å; L32-L170 HydrophobicContact CD1-CD1 3.63Å; L32-L170 HydrophobicContact CG-CD1 4.49Å; L32-L178 HydrophobicContact CD2-CD1 4.13Å; L32-L178 HydrophobicContact CD2-CD2 3.93Å; L32-L178 HydrophobicContact CD2-CG 3.84Å; L32-Y194 HydrophobicContact CD2-CD2 4.38Å; L32-Y194 HydrophobicContact CD2-CE2 4.08Å; L32-Y194 HydrophobicContact CG-CD2 4.41Å; L32-Y194 HydrophobicContact CG-CE2 3.83Å
33S95Very high92.9Very high15 Ų1524 Ų2411%0.10514%0.139CC..Hα-helixtrans-67-38.5177.6-61.70000112.3M29 S30 I31 N35 A36 M37M29-S33 WeakPolarHBondContact CE-OG 3.48Å; M29-S33 WeakPolarHBondContact O-CB 3.28Å; M29-S33 PolarHBondContact O-N 3.04Å; M29-S33 PolarHBondContact O-OG 2.9Å; S30-S33 PolarHBondContact O-N 3.49Å; I31-S33 VanDerWaalsContact C-N 3.32Å; I31-S33 PolarHBondContact O-N 3.41Å; S33-N35 VanDerWaalsContact C-N 3.35Å; S33-A36 PolarHBondContact O-N 2.88Å; S33-M37 WeakPolarHBondContact O-CB 3.48Å; S33-M37 PolarHBondContact O-N 3.38Å
34A95.6Very high93.4Very high33 Ų3325.5 Ų25.527%0.27315%0.146SC..Hα-helixtrans-62.9-40.9174.500000112S30 I31 M37 L38S30-A34 WeakPolarHBondContact O-CB 3.48Å; S30-A34 PolarHBondContact O-N 3.1Å; I31-A34 PolarHBondContact O-N 2.88Å; A34-M37 WeakPolarHBondContact O-CB 3.23Å; A34-M37 PolarHBondContact O-N 3.03Å; A34-L38 WeakPolarHBondContact O-CG 3.2Å; A34-L38 PolarHBondContact O-N 3.3Å
35N96.2Very high93.7Very high0 Ų022.8 Ų22.80%013%0.132CC..Hα-helixtrans-68.2-35.9174.7-77.4-82.8000112I31 L32 S33 L38 Q39 M100 L170 T254 L258I31-N35 PolarHBondContact O-N 3.1Å; I31-N35 VanDerWaalsContact O-N 3.08Å; I31-N35 PolarHBondContact O-ND2 2.88Å; L32-N35 PolarHBondContact O-N 3.18Å; S33-N35 VanDerWaalsContact C-N 3.35Å; N35-L38 PolarHBondContact O-N 2.79Å; N35-Q39 PolarHBondContact O-N 3.36Å; N35-M100 HydrophobicContact CB-CE 3.96Å; N35-M100 HydrophobicContact CB-CG 4.03Å; N35-M100 HydrophobicContact CB-SD 4.26Å; N35-L170 HydrophobicContact CB-CD1 4.36Å; N35-L170 HydrophobicContact CB-CD2 4.5Å; N35-T254 PolarHBondContact ND2-O 3.13Å; N35-T254 PolarHBondContact OD1-OG1 3.4Å; N35-L258 HydrophobicContact CB-CD1 4.21Å; N35-L258 VanDerWaalsContact ND2-CD1 3.34Å; N35-L258 WeakPolarHBondContact ND2-CD1 3.43Å
36A95.6Very high94.1Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-66.1-39174.100000112.5L32 S33 G40 L170 F171 Y194L32-A36 PolarHBondContact O-N 3.11Å; S33-A36 PolarHBondContact O-N 2.88Å; A36-G40 PolarHBondContact O-N 3Å; A36-L170 HydrophobicContact CB-CD2 4.1Å; A36-F171 HydrophobicContact CB-CZ 4.17Å; A36-Y194 HydrophobicContact CB-CD2 4.16Å; A36-Y194 HydrophobicContact CB-CE2 3.4Å; A36-Y194 VanDerWaalsContact CB-CE2 3.4Å
37M95.4Very high94.4Very high55 Ų5516.1 Ų16.127%0.27110%0.098SC..Hα-helixtrans-59.8-46171.1-174.9-176.771.200111.1S33 A34 G40 A41 A197 V200 G201 L204S33-M37 WeakPolarHBondContact O-CB 3.48Å; S33-M37 PolarHBondContact O-N 3.38Å; A34-M37 WeakPolarHBondContact O-CB 3.23Å; A34-M37 PolarHBondContact O-N 3.03Å; M37-G40 PolarHBondContact O-N 3.01Å; M37-A41 WeakPolarHBondContact O-CB 3.25Å; M37-A41 PolarHBondContact O-N 3.24Å; M37-A197 WeakPolarHBondContact CA-O 3.41Å; M37-A197 VanDerWaalsContact CB-O 3.28Å; M37-A197 WeakPolarHBondContact CB-O 3.46Å; M37-V200 HydrophobicContact CG-CB 4.4Å; M37-V200 HydrophobicContact CG-CG1 4.29Å; M37-V200 HydrophobicContact SD-CB 4.45Å; M37-V200 HydrophobicContact SD-CG1 3.86Å; M37-G201 WeakPolarHBondContact O-CA 3.43Å; M37-L204 HydrophobicContact CE-CD1 4.28Å; M37-L204 HydrophobicContact CG-CD1 4.4Å; M37-L204 HydrophobicContact SD-CD1 3.81Å
38L96.2Very high94.5Very high14 Ų1415.5 Ų15.57%0.0739%0.094CC..Hα-helixtrans-65.2-45.8179-74.7162.5000112.7A34 N35 G40 A41 I42 V250 T254A34-L38 WeakPolarHBondContact O-CG 3.2Å; A34-L38 PolarHBondContact O-N 3.3Å; N35-L38 PolarHBondContact O-N 2.79Å; L38-G40 VanDerWaalsContact C-N 3.32Å; L38-G40 PolarHBondContact O-N 2.7Å; L38-A41 WeakPolarHBondContact O-CB 3.49Å; L38-A41 PolarHBondContact O-N 3.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.35Å; L38-I42 PolarHBondContact O-N 3.21Å; L38-V250 HydrophobicContact CD1-CG1 3.76Å; L38-V250 HydrophobicContact CD2-CB 4.02Å; L38-V250 HydrophobicContact CD2-CG1 3.68Å; L38-V250 HydrophobicContact CG-CG1 4.35Å; L38-T254 HydrophobicContact CD1-CG2 3.79Å; L38-T254 WeakPolarHBondContact CD1-OG1 3.43Å
39Q95.8Very high94.6Very high4 Ų415.5 Ų15.52%0.0199%0.094CC..Hα-helixtrans-61.8-42.7175.5-176.2-178.2-33.100111N35 A41 I42 V43 Y72 M100 A167 L170 F171N35-Q39 PolarHBondContact O-N 3.36Å; Q39-A41 VanDerWaalsContact C-N 3.34Å; Q39-A41 PolarHBondContact O-N 3.18Å; Q39-I42 PolarHBondContact O-N 3.05Å; Q39-V43 HydrophobicContact CG-CG2 4.16Å; Q39-V43 WeakPolarHBondContact O-CB 3.09Å; Q39-V43 WeakPolarHBondContact O-CG2 3.41Å; Q39-V43 PolarHBondContact O-N 3.35Å; Q39-Y72 PolarHBondContact NE2-OH 2.74Å; Q39-M100 HydrophobicContact CB-CE 4.35Å; Q39-M100 HydrophobicContact CB-SD 4.46Å; Q39-A167 HydrophobicContact CG-CB 4.3Å; Q39-A167 VanDerWaalsContact NE2-CB 3.28Å; Q39-A167 PolarHBondContact OE1-O 2.69Å; Q39-L170 HydrophobicContact CB-CD2 3.9Å; Q39-L170 VanDerWaalsContact OE1-CB 3.28Å; Q39-F171 HydrophobicContact CG-CE2 4.38Å
40G93.8Very high94.7Very high1 Ų114.7 Ų14.71%0.019%0.09CC..Hα-helixtrans-59.8-42.7175.200000112.4A36 M37 L38 N44 G45A36-G40 PolarHBondContact O-N 3Å; M37-G40 PolarHBondContact O-N 3.01Å; L38-G40 VanDerWaalsContact C-N 3.32Å; L38-G40 PolarHBondContact O-N 2.7Å; G40-N44 WeakPolarHBondContact O-CB 3.3Å; G40-N44 PolarHBondContact O-N 3.31Å; G40-G45 PolarHBondContact O-N 3.38Å
41A95.6Very high94.7Very high6 Ų611.3 Ų11.35%0.057%0.067CC..Iπ-helixtrans-61.1-47.6175.900000111.9M37 L38 Q39 G45 L46 G201 A205M37-A41 WeakPolarHBondContact O-CB 3.25Å; M37-A41 PolarHBondContact O-N 3.24Å; L38-A41 WeakPolarHBondContact O-CB 3.49Å; L38-A41 PolarHBondContact O-N 3.28Å; Q39-A41 VanDerWaalsContact C-N 3.34Å; Q39-A41 PolarHBondContact O-N 3.18Å; A41-G45 CarbonylContact O-C 3.53Å; A41-G45 WeakPolarHBondContact O-CA 3.45Å; A41-G45 PolarHBondContact O-N 3.45Å; A41-L46 WeakPolarHBondContact O-CG 3.29Å; A41-L46 PolarHBondContact O-N 3.28Å; A41-G201 VanDerWaalsContact CA-C 3.47Å; A41-G201 WeakPolarHBondContact CA-O 3.37Å; A41-G201 VanDerWaalsContact CB-O 3.31Å; A41-G201 WeakPolarHBondContact CB-O 3.33Å; A41-A205 HydrophobicContact CB-CB 4.15Å; A41-A205 WeakPolarHBondContact O-CB 3.48Å
42I96.3Very high94.5Very high1 Ų110.1 Ų10.11%0.0056%0.061CC..Iπ-helixtrans-65.3-54-178.7-66.4164.3000111.1L38 Q39 L46 V47 V103 V163 F244 C247L38-I42 WeakPolarHBondContact O-CG1 3.35Å; L38-I42 PolarHBondContact O-N 3.21Å; Q39-I42 PolarHBondContact O-N 3.05Å; I42-L46 HydrophobicContact CG1-CD1 4.46Å; I42-V47 PolarHBondContact O-N 3.27Å; I42-V103 HydrophobicContact CD1-CG1 3.85Å; I42-V163 HydrophobicContact CG2-CG1 4.36Å; I42-F244 HydrophobicContact CG2-CD1 4.3Å; I42-F244 HydrophobicContact CG2-CE1 4.44Å; I42-C247 HydrophobicContact CD1-CB 3.94Å; I42-C247 HydrophobicContact CG1-CB 3.6Å
43V93.6Very high94.4Very high16 Ų1610.2 Ų10.210%0.0976%0.062CC..Iπ-helixtrans-83.3-45.9-167.2179.10000112.3Q39 V47 Y72 V163Q39-V43 HydrophobicContact CG-CG2 4.16Å; Q39-V43 WeakPolarHBondContact O-CB 3.09Å; Q39-V43 WeakPolarHBondContact O-CG2 3.41Å; Q39-V43 PolarHBondContact O-N 3.35Å; V43-V47 WeakPolarHBondContact O-CB 3.43Å; V43-Y72 HydrophobicContact CG1-CD1 3.73Å; V43-Y72 HydrophobicContact CG1-CD2 4.26Å; V43-Y72 HydrophobicContact CG1-CE1 3.56Å; V43-Y72 HydrophobicContact CG1-CE2 4.08Å; V43-Y72 HydrophobicContact CG1-CG 4.09Å; V43-Y72 HydrophobicContact CG2-CD2 4.06Å; V43-Y72 HydrophobicContact CG2-CE2 3.63Å; V43-V163 HydrophobicContact CG2-CG1 3.77Å
44N91.3Very high94.2Very high47 Ų479.5 Ų9.525%0.2516%0.057SC..Iπ-helixtrans-98.2-15.3-172.5-64-26.8000112.9G40 P202 I325G40-N44 WeakPolarHBondContact O-CB 3.3Å; G40-N44 PolarHBondContact O-N 3.31Å; N44-P202 HydrophobicContact CB-CG 3.87Å; N44-I325 HydrophobicContact CB-CG2 3.93Å; N44-I325 WeakPolarHBondContact O-CG2 3.31Å
45G93.7Very high94Very high0 Ų08.1 Ų8.10%05%0.045CC..Iπ-helixtrans-104.2-69.2178.600000112.6G40 A41 V47 S48 V49G40-G45 PolarHBondContact O-N 3.38Å; A41-G45 CarbonylContact O-C 3.53Å; A41-G45 WeakPolarHBondContact O-CA 3.45Å; A41-G45 PolarHBondContact O-N 3.45Å; G45-V47 PolarHBondContact O-N 2.92Å; G45-S48 WeakPolarHBondContact O-CB 3.43Å; G45-S48 PolarHBondContact O-N 3.34Å; G45-V49 VanDerWaalsContact O-CG2 3.26Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.08Å
46L95.5Very high93.6Very high3 Ų310.1 Ų10.12%0.0165%0.053CC..Iπ-helixtrans-63-41.2-171.7-68.4176.7000112.7A41 I42 S50 A205 C209 G243 F244 C247A41-L46 WeakPolarHBondContact O-CG 3.29Å; A41-L46 PolarHBondContact O-N 3.28Å; I42-L46 HydrophobicContact CG1-CD1 4.46Å; L46-S50 WeakPolarHBondContact O-CB 3.31Å; L46-S50 PolarHBondContact O-N 3Å; L46-S50 PolarHBondContact O-OG 3.41Å; L46-A205 HydrophobicContact CD2-CB 4.03Å; L46-A205 HydrophobicContact CG-CB 3.95Å; L46-C209 HydrophobicContact CD2-CB 3.66Å; L46-G243 WeakPolarHBondContact CD1-O 3.5Å; L46-F244 VanDerWaalsContact C-CZ 3.44Å; L46-F244 HydrophobicContact CB-CD1 4.01Å; L46-F244 HydrophobicContact CB-CD2 4.33Å; L46-F244 HydrophobicContact CB-CE1 3.54Å; L46-F244 HydrophobicContact CB-CE2 3.91Å; L46-F244 HydrophobicContact CB-CG 4.39Å; L46-F244 HydrophobicContact CB-CZ 3.5Å; L46-F244 HydrophobicContact CD1-CD1 3.98Å; L46-F244 HydrophobicContact CD1-CE1 4.36Å; L46-F244 HydrophobicContact CD1-CG 4.1Å; L46-C247 HydrophobicContact CD1-CB 4.25Å
47V94.8Very high93.2Very high6 Ų611.6 Ų11.64%0.0366%0.059CC..Hα-helixtrans-58.1-53.2174.1172.80000110.2I42 V43 G45 V49 S50 I51 F68 A69 F244I42-V47 PolarHBondContact O-N 3.27Å; V43-V47 WeakPolarHBondContact O-CB 3.43Å; G45-V47 PolarHBondContact O-N 2.92Å; V47-V49 PolarHBondContact O-N 3.41Å; V47-S50 PolarHBondContact O-N 2.91Å; V47-I51 WeakPolarHBondContact O-CG1 3.18Å; V47-I51 PolarHBondContact O-N 3.4Å; V47-F68 HydrophobicContact CG1-CD1 4.34Å; V47-F68 HydrophobicContact CG1-CE1 3.89Å; V47-A69 HydrophobicContact CG1-CB 4.08Å; V47-F244 HydrophobicContact CG2-CE1 4Å; V47-F244 HydrophobicContact CG2-CZ 4.1Å
48S94.1Very high92.9Very high3 Ų39.8 Ų9.82%0.0215%0.05CC..Hα-helixtrans-56.4-49.4-179.7177.70000113.1G45 S50 I51 I325 T326 P329G45-S48 WeakPolarHBondContact O-CB 3.43Å; G45-S48 PolarHBondContact O-N 3.34Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.16Å; S48-I51 PolarHBondContact O-N 3.44Å; S48-I325 WeakPolarHBondContact CB-O 3.44Å; S48-I325 PolarHBondContact OG-O 3.26Å; S48-T326 PolarHBondContact OG-O 3.28Å; S48-P329 WeakPolarHBondContact OG-CD 3.46Å
49V93.8Very high92.4Very high1 Ų111.6 Ų11.61%0.0066%0.057CC..Hα-helixtrans-62.8-33.8179.3173.20000111.9G45 V47 F206 C209 L213 S344G45-V49 VanDerWaalsContact O-CG2 3.26Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.08Å; V47-V49 PolarHBondContact O-N 3.41Å; V49-F206 HydrophobicContact CG2-CB 4.45Å; V49-F206 HydrophobicContact CG2-CD1 3.2Å; V49-F206 HydrophobicContact CG2-CE1 3.52Å; V49-F206 HydrophobicContact CG2-CG 4.03Å; V49-C209 HydrophobicContact CB-CB 4.49Å; V49-C209 HydrophobicContact CG1-CB 3.84Å; V49-C209 VanDerWaalsContact CG1-SG 3.54Å; V49-L213 HydrophobicContact CG1-CD1 3.3Å; V49-L213 HydrophobicContact CG1-CG 3.99Å; V49-L213 WeakPolarHBondContact O-CD1 3.32Å; V49-S344 WeakPolarHBondContact CG1-OG 3.44Å
50S93.9Very high92.2Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-85.9-12.1-172.7-57.90000114.1L46 V47 S48 S52 S53 I54 F244L46-S50 WeakPolarHBondContact O-CB 3.31Å; L46-S50 PolarHBondContact O-N 3Å; L46-S50 PolarHBondContact O-OG 3.41Å; V47-S50 PolarHBondContact O-N 2.91Å; S48-S50 VanDerWaalsContact C-N 3.26Å; S48-S50 PolarHBondContact O-N 3.16Å; S50-S52 PolarHBondContact O-N 3.45Å; S50-S53 PolarHBondContact O-N 2.79Å; S50-S53 VanDerWaalsContact O-N 3.13Å; S50-I54 WeakPolarHBondContact O-CB 3.46Å; S50-I54 VanDerWaalsContact O-CG1 3.31Å; S50-I54 WeakPolarHBondContact O-CG1 3.39Å; S50-I54 PolarHBondContact O-N 3.5Å; S50-F244 WeakPolarHBondContact OG-CE2 3.41Å
51I93.1Very high92.1Very high1 Ų112.5 Ų12.51%0.0056%0.063CC..Hα-helixtrans-53.7-53.7-174.2-70.3-172.8000112V47 S48 S53 I54 E55 T326 F327 K330V47-I51 WeakPolarHBondContact O-CG1 3.18Å; V47-I51 PolarHBondContact O-N 3.4Å; S48-I51 PolarHBondContact O-N 3.44Å; I51-S53 VanDerWaalsContact C-N 3.25Å; I51-S53 PolarHBondContact O-N 2.63Å; I51-I54 PolarHBondContact O-N 3.45Å; I51-E55 HydrophobicContact CG2-CG 4.19Å; I51-E55 VanDerWaalsContact CG2-OE1 3.28Å; I51-E55 WeakPolarHBondContact CG2-OE1 3.34Å; I51-E55 WeakPolarHBondContact O-CB 3.05Å; I51-E55 WeakPolarHBondContact O-CG 3.03Å; I51-E55 PolarHBondContact O-N 2.88Å; I51-T326 HydrophobicContact CD1-CG2 3.31Å; I51-T326 WeakPolarHBondContact CD1-O 3.23Å; I51-F327 HydrophobicContact CD1-CD1 4.15Å; I51-F327 HydrophobicContact CD1-CE1 4.03Å; I51-F327 HydrophobicContact CG2-CD1 4.31Å; I51-F327 HydrophobicContact CG2-CE1 4.08Å; I51-K330 HydrophobicContact CG2-CD 4.41Å
52S91Very high92Very high6 Ų612.2 Ų12.24%0.0426%0.06CC..Hα-helixtrans-59.5-37.7-177.9-57.40000111.9S50 K56 E333S50-S52 PolarHBondContact O-N 3.45Å; S52-K56 WeakPolarHBondContact O-CB 3.21Å; S52-K56 WeakPolarHBondContact O-CG 3.38Å; S52-K56 PolarHBondContact O-N 3.3Å; S52-E333 WeakPolarHBondContact CB-OE1 3.21Å; S52-E333 PolarHBondContact OG-OE1 3.48Å; S52-E333 PolarHBondContact OG-OE2 3.22Å
53S91.5Very high91.9Very high3 Ų313.7 Ų13.72%0.0217%0.069CC..Hα-helixtrans-71.9-43.3178-65.50000112.3S50 I51 K56 R57 L213S50-S53 PolarHBondContact O-N 2.79Å; S50-S53 VanDerWaalsContact O-N 3.13Å; I51-S53 VanDerWaalsContact C-N 3.25Å; I51-S53 PolarHBondContact O-N 2.63Å; S53-K56 PolarHBondContact O-N 3.05Å; S53-R57 VanDerWaalsContact O-CB 3.26Å; S53-R57 WeakPolarHBondContact O-CB 3.44Å; S53-R57 PolarHBondContact O-N 3.03Å; S53-L213 WeakPolarHBondContact OG-CD2 3.33Å
54I91.8Very high91.9Very high0 Ų015.2 Ų15.20%08%0.075CC..Hα-helixtrans-63-44.7176.9-70.7172.8000110.1S50 I51 K56 R57 F58 L60 F68 L156 W240S50-I54 WeakPolarHBondContact O-CB 3.46Å; S50-I54 VanDerWaalsContact O-CG1 3.31Å; S50-I54 WeakPolarHBondContact O-CG1 3.39Å; S50-I54 PolarHBondContact O-N 3.5Å; I51-I54 PolarHBondContact O-N 3.45Å; I54-K56 PolarHBondContact O-N 3.45Å; I54-R57 PolarHBondContact O-N 2.92Å; I54-F58 HydrophobicContact CG2-CD2 3.84Å; I54-F58 HydrophobicContact CG2-CE2 4.33Å; I54-F58 WeakPolarHBondContact O-CD2 3.47Å; I54-F58 PolarHBondContact O-N 2.89Å; I54-L60 HydrophobicContact CG2-CD1 3.94Å; I54-F68 HydrophobicContact CD1-CE1 3.73Å; I54-F68 HydrophobicContact CD1-CZ 4.08Å; I54-L156 HydrophobicContact CG2-CD1 3.71Å; I54-W240 HydrophobicContact CD1-CE3 3.84Å; I54-W240 HydrophobicContact CD1-CZ3 3.86Å; I54-W240 HydrophobicContact CG1-CD2 3.93Å; I54-W240 HydrophobicContact CG1-CE3 3.72Å; I54-W240 HydrophobicContact CG1-CH2 4.35Å; I54-W240 HydrophobicContact CG1-CZ3 3.91Å
55E90.8Very high92.1Very high4 Ų413 Ų132%0.0196%0.064CC..Hα-helixtrans-62.5-41.2175.6-73.2176.6-179.400112.2I51 K59 L60 S62 S65 K330I51-E55 HydrophobicContact CG2-CG 4.19Å; I51-E55 VanDerWaalsContact CG2-OE1 3.28Å; I51-E55 WeakPolarHBondContact CG2-OE1 3.34Å; I51-E55 WeakPolarHBondContact O-CB 3.05Å; I51-E55 WeakPolarHBondContact O-CG 3.03Å; I51-E55 PolarHBondContact O-N 2.88Å; E55-K59 CarbonylContact O-C 3.54Å; E55-K59 WeakPolarHBondContact O-CA 3.2Å; E55-K59 PolarHBondContact O-N 3.37Å; E55-L60 HydrophobicContact CG-CB 4.32Å; E55-L60 PolarHBondContact O-N 2.95Å; E55-S62 WeakPolarHBondContact OE1-CA 3.34Å; E55-S65 WeakPolarHBondContact OE1-CB 3.28Å; E55-S65 PolarHBondContact OE1-OG 3.33Å; E55-K330 IonicContact OE1-NZ 2.66Å; E55-K330 PolarHBondContact OE1-NZ 3.49Å; E55-K330 WeakPolarHBondContact OE2-CE 3.44Å; E55-K330 IonicContact OE2-NZ 2.66Å; E55-K330 PolarHBondContact OE2-NZ 3.28Å
56K87.3Confident92.1Very high41 Ų4113 Ų1318%0.1786%0.064CC..Hα-helixtrans-64.8-44.4174.4-75.7173.5-168.7-168.30111.9S52 S53 I54 P234 F236 I237 K565S52-K56 WeakPolarHBondContact O-CB 3.21Å; S52-K56 WeakPolarHBondContact O-CG 3.38Å; S52-K56 PolarHBondContact O-N 3.3Å; S53-K56 PolarHBondContact O-N 3.05Å; I54-K56 PolarHBondContact O-N 3.45Å; K56-P234 VanDerWaalsContact CE-O 3.3Å; K56-P234 WeakPolarHBondContact CE-O 3.25Å; K56-P234 PolarHBondContact NZ-O 3.08Å; K56-F236 PolarHBondContact NZ-O 3.34Å; K56-I237 HydrophobicContact CB-CD1 3.97Å; K56-I237 HydrophobicContact CB-CG1 3.79Å; K56-I237 HydrophobicContact CD-CG1 4.31Å; K56-K565 VanDerWaalsContact CG-NZ 3.27Å
57R88.4Confident92.1Very high32 Ų3216 Ų1612%0.1218%0.079CC..Hα-helixtrans-69.9-45.9-174.9179.256.6174.2137.9-0.8112.7S53 I54 E114 G118 Y120 I237S53-R57 VanDerWaalsContact O-CB 3.26Å; S53-R57 WeakPolarHBondContact O-CB 3.44Å; S53-R57 PolarHBondContact O-N 3.03Å; I54-R57 PolarHBondContact O-N 2.92Å; R57-E114 IonicContact NE-OE2 2.78Å; R57-E114 PolarHBondContact NE-OE2 2.77Å; R57-G118 PolarHBondContact NH1-O 2.88Å; R57-G118 PolarHBondContact NH2-O 2.99Å; R57-Y120 VanDerWaalsContact NE-CE2 3.32Å; R57-I237 HydrophobicContact CB-CD1 4.25Å; R57-I237 HydrophobicContact CB-CG2 4.33Å
58F88.3Confident92.1Very high16 Ų1615.7 Ų15.77%0.078%0.077CC..Hα-helixtrans-105.96.7-175.3-53.5-64.7000113.5I54 L60 P113 A117 E152 L156 W240I54-F58 HydrophobicContact CG2-CD2 3.84Å; I54-F58 HydrophobicContact CG2-CE2 4.33Å; I54-F58 WeakPolarHBondContact O-CD2 3.47Å; I54-F58 PolarHBondContact O-N 2.89Å; F58-L60 VanDerWaalsContact C-N 3.34Å; F58-L60 HydrophobicContact CB-CD1 4.29Å; F58-L60 HydrophobicContact CB-CD2 4.33Å; F58-L60 HydrophobicContact CB-CG 3.96Å; F58-L60 PolarHBondContact O-N 3.28Å; F58-P113 HydrophobicContact CE1-CB 3.98Å; F58-P113 HydrophobicContact CE2-CB 4.14Å; F58-P113 HydrophobicContact CZ-CB 3.46Å; F58-P113 VanDerWaalsContact CZ-CB 3.46Å; F58-A117 HydrophobicContact CD1-CB 4.43Å; F58-A117 HydrophobicContact CE1-CB 3.8Å; F58-E152 HydrophobicContact CD1-CB 3.53Å; F58-E152 HydrophobicContact CD1-CG 3.77Å; F58-E152 HydrophobicContact CE1-CB 3.79Å; F58-E152 HydrophobicContact CE1-CG 3.92Å; F58-E152 HydrophobicContact CG-CB 4.12Å; F58-L156 HydrophobicContact CD2-CD1 3.98Å; F58-L156 HydrophobicContact CE2-CD1 4.07Å; F58-W240 HydrophobicContact CE2-CH2 4.18Å; F58-W240 AromaticContact CE2-CZ2 3.81Å; F58-W240 HydrophobicContact CE2-CZ2 3.81Å; F58-W240 HydrophobicContact CZ-CH2 4.5Å; F58-W240 AromaticContact CZ-CZ2 3.97Å; F58-W240 HydrophobicContact CZ-CZ2 3.97Å
59K87.2Confident92.1Very high52 Ų5216 Ų1623%0.2268%0.079CC..THydrogen-bonded Turntrans54.147.5176.5-53.4-169.2-179.4178.50113.1E55 D560E55-K59 CarbonylContact O-C 3.54Å; E55-K59 WeakPolarHBondContact O-CA 3.2Å; E55-K59 PolarHBondContact O-N 3.37Å; K59-D560 WeakPolarHBondContact CD-OD2 3.5Å; K59-D560 VanDerWaalsContact CE-OD2 3.29Å; K59-D560 WeakPolarHBondContact CE-OD2 3.45Å; K59-D560 IonicContact NZ-OD1 2.79Å; K59-D560 PolarHBondContact NZ-OD1 3.39Å; K59-D560 IonicContact NZ-OD2 3.8Å; K59-D560 PolarHBondContact NZ-OD2 3Å
60L89.9Confident92.2Very high5 Ų516 Ų163%0.0268%0.08CC..  trans-89.7149.4-178.3-56.9178.1000111.8I54 E55 F58 Q64 L153I54-L60 HydrophobicContact CG2-CD1 3.94Å; E55-L60 HydrophobicContact CG-CB 4.32Å; E55-L60 PolarHBondContact O-N 2.95Å; F58-L60 VanDerWaalsContact C-N 3.34Å; F58-L60 HydrophobicContact CB-CD1 4.29Å; F58-L60 HydrophobicContact CB-CD2 4.33Å; F58-L60 HydrophobicContact CB-CG 3.96Å; F58-L60 PolarHBondContact O-N 3.28Å; L60-Q64 HydrophobicContact CB-CB 4.12Å; L60-Q64 HydrophobicContact CD2-CB 4.46Å; L60-L153 HydrophobicContact CD1-CD1 4.1Å; L60-L153 HydrophobicContact CD2-CB 4.38Å
61T92.5Very high92.3Very high20 Ų2016.9 Ų16.912%0.1239%0.085CC..  trans-71.4160.4165.263.10000110.9T63 Q64 S65 D551 W557 Q564T61-T63 PolarHBondContact O-N 3.18Å; T61-Q64 WeakPolarHBondContact O-CB 2.98Å; T61-Q64 PolarHBondContact O-N 3.05Å; T61-Q64 VanDerWaalsContact O-N 3.15Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.42Å; T61-Q64 VanDerWaalsContact OG1-CG 3.23Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.42Å; T61-Q64 PolarHBondContact OG1-N 3.12Å; T61-Q64 VanDerWaalsContact OG1-N 3.16Å; T61-Q64 PolarHBondContact OG1-OE1 3.2Å; T61-S65 PolarHBondContact O-N 3.46Å; T61-D551 WeakPolarHBondContact CB-OD2 3.47Å; T61-W557 HydrophobicContact CG2-CH2 4.07Å; T61-W557 HydrophobicContact CG2-CZ3 3.84Å; T61-Q564 HydrophobicContact CG2-CG 4.22Å
62S93.7Very high92.4Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-68.8-27.1177.6-32.80000111.7E55 S65 G66 F327 K330 G547 I550 D551 Y569E55-S62 WeakPolarHBondContact OE1-CA 3.34Å; S62-S65 WeakPolarHBondContact CA-OG 3.44Å; S62-S65 PolarHBondContact O-OG 3.34Å; S62-G66 PolarHBondContact O-N 2.8Å; S62-F327 WeakPolarHBondContact O-CZ 3.29Å; S62-K330 PolarHBondContact OG-NZ 3.48Å; S62-G547 WeakPolarHBondContact CB-O 2.89Å; S62-G547 WeakPolarHBondContact O-CA 2.92Å; S62-I550 VanDerWaalsContact OG-CG2 3.24Å; S62-I550 WeakPolarHBondContact OG-CG2 3.29Å; S62-D551 WeakPolarHBondContact CA-OD1 2.96Å; S62-D551 WeakPolarHBondContact CB-OD1 3.31Å; S62-D551 PolarHBondContact N-OD1 2.9Å; S62-D551 PolarHBondContact N-OD2 3.26Å; S62-D551 PolarHBondContact OG-OD1 2.83Å; S62-Y569 PolarHBondContact OG-OH 3.03Å
63T94.5Very high92.6Very high32 Ų3217 Ų1720%0.1969%0.085CC..Hα-helixtrans-65.9-41.9171.7-55.30000110.6T61 G66 I67 I544 Y548 D551T61-T63 PolarHBondContact O-N 3.18Å; T63-G66 CarbonylContact O-C 3.49Å; T63-G66 PolarHBondContact O-N 3.08Å; T63-I67 HydrophobicContact CG2-CD1 4.38Å; T63-I67 VanDerWaalsContact O-CG1 3.32Å; T63-I67 WeakPolarHBondContact O-CG1 3.45Å; T63-I67 PolarHBondContact O-N 3.29Å; T63-I544 HydrophobicContact CG2-CG2 4.35Å; T63-Y548 WeakPolarHBondContact OG1-CA 3.2Å; T63-Y548 PolarHBondContact OG1-N 3.16Å; T63-D551 VanDerWaalsContact CB-OD2 3.29Å; T63-D551 WeakPolarHBondContact CB-OD2 3.42Å; T63-D551 PolarHBondContact N-OD2 3.35Å; T63-D551 PolarHBondContact OG1-OD2 2.96Å
64Q94.1Very high92.8Very high48 Ų4819.9 Ų19.922%0.22410%0.102CC..Hα-helixtrans-66.7-40.7176.1-76.5166.6-39.800112.5L60 T61 G66 I67 F68 L153L60-Q64 HydrophobicContact CB-CB 4.12Å; L60-Q64 HydrophobicContact CD2-CB 4.46Å; T61-Q64 WeakPolarHBondContact O-CB 2.98Å; T61-Q64 PolarHBondContact O-N 3.05Å; T61-Q64 VanDerWaalsContact O-N 3.15Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.42Å; T61-Q64 VanDerWaalsContact OG1-CG 3.23Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.42Å; T61-Q64 PolarHBondContact OG1-N 3.12Å; T61-Q64 VanDerWaalsContact OG1-N 3.16Å; T61-Q64 PolarHBondContact OG1-OE1 3.2Å; Q64-G66 VanDerWaalsContact C-N 3.3Å; Q64-I67 WeakPolarHBondContact O-CB 3.28Å; Q64-I67 PolarHBondContact O-N 2.96Å; Q64-F68 PolarHBondContact O-N 2.95Å; Q64-L153 HydrophobicContact CB-CD2 4.33Å; Q64-L153 HydrophobicContact CG-CD2 4.13Å
65S93.6Very high93Very high1 Ų123.1 Ų23.11%0.00712%0.117CC..Hα-helixtrans-67.3-33173.164.30000112E55 T61 S62 F68 A69E55-S65 WeakPolarHBondContact OE1-CB 3.28Å; E55-S65 PolarHBondContact OE1-OG 3.33Å; T61-S65 PolarHBondContact O-N 3.46Å; S62-S65 WeakPolarHBondContact CA-OG 3.44Å; S62-S65 PolarHBondContact O-OG 3.34Å; S65-F68 WeakPolarHBondContact O-CB 3.47Å; S65-F68 PolarHBondContact O-N 2.96Å; S65-A69 PolarHBondContact O-N 2.89Å
66G94.3Very high93.2Very high0 Ų023.2 Ų23.20%012%0.117CC..Hα-helixtrans-61.6-41.8168.700000113S62 T63 Q64 A69 A70S62-G66 PolarHBondContact O-N 2.8Å; T63-G66 CarbonylContact O-C 3.49Å; T63-G66 PolarHBondContact O-N 3.08Å; Q64-G66 VanDerWaalsContact C-N 3.3Å; G66-A69 PolarHBondContact O-N 3.28Å; G66-A70 VanDerWaalsContact O-CB 3.29Å; G66-A70 WeakPolarHBondContact O-CB 3.39Å; G66-A70 PolarHBondContact O-N 3.41Å
67I95.5Very high93.6Very high64 Ų6422 Ų2233%0.32811%0.113SC..Hα-helixtrans-65-41.4174-69.2163.2000111.1T63 Q64 A69 A70 T71 L157 I544T63-I67 HydrophobicContact CG2-CD1 4.38Å; T63-I67 VanDerWaalsContact O-CG1 3.32Å; T63-I67 WeakPolarHBondContact O-CG1 3.45Å; T63-I67 PolarHBondContact O-N 3.29Å; Q64-I67 WeakPolarHBondContact O-CB 3.28Å; Q64-I67 PolarHBondContact O-N 2.96Å; I67-A69 PolarHBondContact O-N 2.91Å; I67-A70 PolarHBondContact O-N 3.21Å; I67-T71 PolarHBondContact O-N 3.28Å; I67-T71 PolarHBondContact O-OG1 3.37Å; I67-L157 HydrophobicContact CG2-CD2 3.98Å; I67-I544 HydrophobicContact CG1-CD1 4.43Å; I67-I544 HydrophobicContact CG1-CG1 4.22Å
68F94.8Very high93.9Very high0 Ų024.2 Ų24.20%013%0.13CC..Hα-helixtrans-55.1-51.1172.3164.1-114.6000111.5V47 I54 Q64 S65 A70 T71 L156 L157 Q160V47-F68 HydrophobicContact CG1-CD1 4.34Å; V47-F68 HydrophobicContact CG1-CE1 3.89Å; I54-F68 HydrophobicContact CD1-CE1 3.73Å; I54-F68 HydrophobicContact CD1-CZ 4.08Å; Q64-F68 PolarHBondContact O-N 2.95Å; S65-F68 WeakPolarHBondContact O-CB 3.47Å; S65-F68 PolarHBondContact O-N 2.96Å; F68-A70 PolarHBondContact O-N 3.11Å; F68-T71 PolarHBondContact O-N 2.8Å; F68-L156 HydrophobicContact CD2-CB 3.66Å; F68-L156 HydrophobicContact CE2-CB 3.72Å; F68-L156 HydrophobicContact CE2-CD2 3.92Å; F68-L156 HydrophobicContact CE2-CG 4.34Å; F68-L156 HydrophobicContact CZ-CD2 4.2Å; F68-L157 HydrophobicContact CB-CD2 4.4Å; F68-Q160 HydrophobicContact CD2-CG 3.57Å; F68-Q160 HydrophobicContact CE2-CG 3.31Å; F68-Q160 VanDerWaalsContact CE2-NE2 3.35Å; F68-Q160 HydrophobicContact CZ-CG 4.11Å; F68-Q160 VanDerWaalsContact CZ-NE2 3.26Å
69A94Very high94.2Very high9 Ų926.2 Ų26.27%0.07414%0.14CC..Hα-helixtrans-63.3-42.217700000112.6V47 S65 G66 I67 T71 T326 A543V47-A69 HydrophobicContact CG1-CB 4.08Å; S65-A69 PolarHBondContact O-N 2.89Å; G66-A69 PolarHBondContact O-N 3.28Å; I67-A69 PolarHBondContact O-N 2.91Å; A69-T71 VanDerWaalsContact C-N 3.3Å; A69-T71 PolarHBondContact O-N 2.65Å; A69-T326 HydrophobicContact CB-CG2 3.65Å; A69-A543 HydrophobicContact CB-CB 4.49Å
70A95.4Very high94.5Very high3 Ų323.9 Ų23.93%0.02513%0.13CC..Hα-helixtrans-69.7-22.8-177.900000113.9G66 I67 F68 Y72 D73 V74 I540 A543 I544G66-A70 VanDerWaalsContact O-CB 3.29Å; G66-A70 WeakPolarHBondContact O-CB 3.39Å; G66-A70 PolarHBondContact O-N 3.41Å; I67-A70 PolarHBondContact O-N 3.21Å; F68-A70 PolarHBondContact O-N 3.11Å; A70-Y72 VanDerWaalsContact C-N 3.28Å; A70-Y72 PolarHBondContact O-N 3.47Å; A70-D73 WeakPolarHBondContact O-CB 3.39Å; A70-D73 PolarHBondContact O-N 3.09Å; A70-V74 PolarHBondContact O-N 2.96Å; A70-I540 HydrophobicContact CB-CG2 4.3Å; A70-A543 HydrophobicContact CB-CB 4.29Å; A70-I544 HydrophobicContact CB-CD1 4.38Å; A70-I544 HydrophobicContact CB-CG1 4.21Å
71T96.3Very high94.5Very high17 Ų1727.8 Ų27.810%0.10415%0.15CC..Hα-helixtrans-62.2-37.9-177.1-66.30000111.7I67 F68 A69 D73 V74 F75 L157 Q160I67-T71 PolarHBondContact O-N 3.28Å; I67-T71 PolarHBondContact O-OG1 3.37Å; F68-T71 PolarHBondContact O-N 2.8Å; A69-T71 VanDerWaalsContact C-N 3.3Å; A69-T71 PolarHBondContact O-N 2.65Å; T71-D73 VanDerWaalsContact C-N 3.28Å; T71-D73 PolarHBondContact O-N 2.97Å; T71-V74 WeakPolarHBondContact O-CB 3.16Å; T71-V74 PolarHBondContact O-N 3.42Å; T71-F75 HydrophobicContact CG2-CD2 3.82Å; T71-F75 HydrophobicContact CG2-CE2 3.79Å; T71-F75 WeakPolarHBondContact O-CD2 3.2Å; T71-F75 PolarHBondContact O-N 3.45Å; T71-F75 VanDerWaalsContact O-N 3.12Å; T71-L157 HydrophobicContact CG2-CB 4.31Å; T71-L157 HydrophobicContact CG2-CD2 4.3Å; T71-L157 WeakPolarHBondContact CG2-O 3.5Å; T71-L157 WeakPolarHBondContact OG1-CD2 3.43Å; T71-Q160 HydrophobicContact CG2-CB 4.05Å
72Y95.3Very high94.5Very high9 Ų929.3 Ų29.34%0.03516%0.16CC..Hα-helixtrans-51.3-48.7169.9162-95.5000111.7Q39 V43 A70 V74 F75 V76 V163 G164 A167Q39-Y72 PolarHBondContact NE2-OH 2.74Å; V43-Y72 HydrophobicContact CG1-CD1 3.73Å; V43-Y72 HydrophobicContact CG1-CD2 4.26Å; V43-Y72 HydrophobicContact CG1-CE1 3.56Å; V43-Y72 HydrophobicContact CG1-CE2 4.08Å; V43-Y72 HydrophobicContact CG1-CG 4.09Å; V43-Y72 HydrophobicContact CG2-CD2 4.06Å; V43-Y72 HydrophobicContact CG2-CE2 3.63Å; A70-Y72 VanDerWaalsContact C-N 3.28Å; A70-Y72 PolarHBondContact O-N 3.47Å; Y72-V74 VanDerWaalsContact C-N 3.34Å; Y72-V74 PolarHBondContact O-N 2.89Å; Y72-F75 PolarHBondContact O-N 3.14Å; Y72-V76 HydrophobicContact CD1-CG2 4.33Å; Y72-V76 HydrophobicContact CD2-CG2 4.28Å; Y72-V76 HydrophobicContact CE1-CG2 3.88Å; Y72-V76 HydrophobicContact CE2-CG2 3.84Å; Y72-V76 HydrophobicContact CG-CG2 4.5Å; Y72-V76 VanDerWaalsContact O-CG2 3.31Å; Y72-V76 WeakPolarHBondContact O-CG2 3.11Å; Y72-V76 PolarHBondContact O-N 2.63Å; Y72-V163 HydrophobicContact CD2-CB 4.23Å; Y72-V163 HydrophobicContact CD2-CG1 3.73Å; Y72-V163 HydrophobicContact CE2-CG1 3.91Å; Y72-G164 WeakPolarHBondContact O-CA 3.43Å; Y72-A167 HydrophobicContact CE2-CB 3.38Å; Y72-A167 WeakPolarHBondContact OH-CB 3.29Å
73D94.8Very high94.3Very high2 Ų230.4 Ų30.41%0.01117%0.166CC..Hα-helixtrans-68.6-32.6-177.7-68.2-42.3000112.8A70 T71 V76 T77 N322 R535 S539 I540A70-D73 WeakPolarHBondContact O-CB 3.39Å; A70-D73 PolarHBondContact O-N 3.09Å; T71-D73 VanDerWaalsContact C-N 3.28Å; T71-D73 PolarHBondContact O-N 2.97Å; D73-V76 PolarHBondContact O-N 3.45Å; D73-T77 WeakPolarHBondContact O-CB 3.34Å; D73-T77 PolarHBondContact O-N 2.92Å; D73-T77 PolarHBondContact O-OG1 3.33Å; D73-N322 PolarHBondContact OD2-ND2 2.82Å; D73-N322 VanDerWaalsContact OD2-ND2 3.12Å; D73-R535 VanDerWaalsContact OD1-CD 3.25Å; D73-R535 WeakPolarHBondContact OD1-CD 3.25Å; D73-R535 IonicContact OD1-CZ 2.61Å; D73-R535 IonicContact OD1-NE 3.71Å; D73-R535 PolarHBondContact OD1-NE 2.72Å; D73-R535 IonicContact OD1-NH1 3.78Å; D73-R535 PolarHBondContact OD1-NH1 3.11Å; D73-R535 IonicContact OD1-NH2 3.24Å; D73-R535 IonicContact OD2-NH1 2.65Å; D73-S539 VanDerWaalsContact OD2-CB 3.22Å; D73-S539 WeakPolarHBondContact OD2-CB 3.38Å; D73-I540 HydrophobicContact CB-CD1 4.24Å; D73-I540 HydrophobicContact CB-CG1 3.52Å
74V96Very high94Very high62 Ų6229.2 Ų29.238%0.37616%0.16SC..Hα-helixtrans-59.7-51.6172.7174.50000109.8A70 T71 Y72 V76 T77 V78 I540A70-V74 PolarHBondContact O-N 2.96Å; T71-V74 WeakPolarHBondContact O-CB 3.16Å; T71-V74 PolarHBondContact O-N 3.42Å; Y72-V74 VanDerWaalsContact C-N 3.34Å; Y72-V74 PolarHBondContact O-N 2.89Å; V74-V76 PolarHBondContact O-N 2.99Å; V74-T77 WeakPolarHBondContact O-CB 3.26Å; V74-T77 PolarHBondContact O-N 3.19Å; V74-V78 WeakPolarHBondContact O-CG2 3.46Å; V74-V78 PolarHBondContact O-N 3.3Å; V74-V78 VanDerWaalsContact O-N 3.08Å; V74-I540 HydrophobicContact CB-CD1 4.36Å; V74-I540 HydrophobicContact CG2-CD1 3.71Å; V74-I540 HydrophobicContact CG2-CG1 4.05Å; V74-I540 HydrophobicContact CG2-CG2 4.34Å
75F96.8Very high93.7Very high69 Ų6930.7 Ų30.730%0.30317%0.169SC..Hα-helixtrans-72.1-30.1-178.5-79.3-81.8000113T71 Y72 V78 M79 A161 I165T71-F75 HydrophobicContact CG2-CD2 3.82Å; T71-F75 HydrophobicContact CG2-CE2 3.79Å; T71-F75 WeakPolarHBondContact O-CD2 3.2Å; T71-F75 PolarHBondContact O-N 3.45Å; T71-F75 VanDerWaalsContact O-N 3.12Å; Y72-F75 PolarHBondContact O-N 3.14Å; F75-V78 PolarHBondContact O-N 3.24Å; F75-M79 PolarHBondContact O-N 3.42Å; F75-M79 VanDerWaalsContact O-N 3.16Å; F75-A161 HydrophobicContact CD1-CB 4.01Å; F75-A161 HydrophobicContact CD2-CB 3.43Å; F75-A161 VanDerWaalsContact CD2-CB 3.43Å; F75-A161 HydrophobicContact CE1-CB 3.88Å; F75-A161 HydrophobicContact CE2-CB 3.28Å; F75-A161 HydrophobicContact CG-CB 3.8Å; F75-A161 HydrophobicContact CZ-CB 3.51Å; F75-I165 HydrophobicContact CB-CG1 4.15Å; F75-I165 HydrophobicContact CD1-CD1 4.02Å; F75-I165 HydrophobicContact CD1-CG1 4.01Å; F75-I165 HydrophobicContact CG-CG1 4.47Å
76V95.6Very high93.4Very high6 Ų636.8 Ų36.84%0.03619%0.193CC..Hα-helixtrans-58.4-51.1167.5170.70000110Y72 D73 V74 V78 M79 L80 G164 A167 S168 R535Y72-V76 HydrophobicContact CD1-CG2 4.33Å; Y72-V76 HydrophobicContact CD2-CG2 4.28Å; Y72-V76 HydrophobicContact CE1-CG2 3.88Å; Y72-V76 HydrophobicContact CE2-CG2 3.84Å; Y72-V76 HydrophobicContact CG-CG2 4.5Å; Y72-V76 VanDerWaalsContact O-CG2 3.31Å; Y72-V76 WeakPolarHBondContact O-CG2 3.11Å; Y72-V76 PolarHBondContact O-N 2.63Å; D73-V76 PolarHBondContact O-N 3.45Å; V74-V76 PolarHBondContact O-N 2.99Å; V76-V78 VanDerWaalsContact C-N 3.32Å; V76-V78 PolarHBondContact O-N 3.41Å; V76-M79 CarbonylContact O-C 3.3Å; V76-M79 PolarHBondContact O-N 3.32Å; V76-L80 HydrophobicContact CG1-CD1 4.24Å; V76-L80 HydrophobicContact CG1-CD2 4.45Å; V76-L80 HydrophobicContact CG1-CG 4.14Å; V76-L80 WeakPolarHBondContact O-CG 3.43Å; V76-L80 PolarHBondContact O-N 3.27Å; V76-G164 VanDerWaalsContact CG2-O 3.24Å; V76-G164 WeakPolarHBondContact CG2-O 3.43Å; V76-A167 HydrophobicContact CG2-CB 4.48Å; V76-S168 VanDerWaalsContact CA-OG 3.28Å; V76-S168 WeakPolarHBondContact CA-OG 3.27Å; V76-S168 PolarHBondContact O-OG 3.18Å; V76-R535 HydrophobicContact CG1-CG 4.41Å
77T94.5Very high92.8Very high14 Ų1436.9 Ų36.99%0.08619%0.193CC..Hα-helixtrans-55.4-46.4-179.2-58.60000112.1D73 V74 M79 L80 L532 R535 I536D73-T77 WeakPolarHBondContact O-CB 3.34Å; D73-T77 PolarHBondContact O-N 2.92Å; D73-T77 PolarHBondContact O-OG1 3.33Å; V74-T77 WeakPolarHBondContact O-CB 3.26Å; V74-T77 PolarHBondContact O-N 3.19Å; T77-M79 VanDerWaalsContact C-N 3.27Å; T77-M79 PolarHBondContact O-N 2.96Å; T77-L80 PolarHBondContact O-N 3.48Å; T77-L532 HydrophobicContact CG2-CG 4.37Å; T77-R535 WeakPolarHBondContact OG1-CB 3.41Å; T77-I536 HydrophobicContact CG2-CD1 3.66Å; T77-I536 HydrophobicContact CG2-CG1 3.4Å; T77-I536 VanDerWaalsContact CG2-CG1 3.4Å
78V95Very high91.9Very high79 Ų7937.6 Ų37.648%0.47920%0.201SC..Hα-helixtrans-59.2-40.4177.7173.30000111V74 F75 V76 P82V74-V78 WeakPolarHBondContact O-CG2 3.46Å; V74-V78 PolarHBondContact O-N 3.3Å; V74-V78 VanDerWaalsContact O-N 3.08Å; F75-V78 PolarHBondContact O-N 3.24Å; V76-V78 VanDerWaalsContact C-N 3.32Å; V76-V78 PolarHBondContact O-N 3.41Å; V78-P82 WeakPolarHBondContact O-CD 3.31Å
79M94.7Very high91.3Very high59 Ų5945.1 Ų45.129%0.29123%0.233SC..Hα-helixtrans-78.4-21.1179.6-74.2-58.9159.900114.5F75 V76 T77 I81 P82 L83 I165 S168F75-M79 PolarHBondContact O-N 3.42Å; F75-M79 VanDerWaalsContact O-N 3.16Å; V76-M79 CarbonylContact O-C 3.3Å; V76-M79 PolarHBondContact O-N 3.32Å; T77-M79 VanDerWaalsContact C-N 3.27Å; T77-M79 PolarHBondContact O-N 2.96Å; M79-I81 VanDerWaalsContact C-N 3.26Å; M79-I81 PolarHBondContact O-N 3.42Å; M79-P82 VanDerWaalsContact O-CD 3.24Å; M79-P82 WeakPolarHBondContact O-CD 3.29Å; M79-P82 VanDerWaalsContact O-CG 3.3Å; M79-P82 WeakPolarHBondContact O-CG 3.5Å; M79-P82 HydrophobicContact SD-CG 4.26Å; M79-L83 WeakPolarHBondContact O-CD1 3.37Å; M79-L83 WeakPolarHBondContact O-CG 3.3Å; M79-L83 PolarHBondContact O-N 3.01Å; M79-I165 HydrophobicContact CE-CB 4.37Å; M79-I165 HydrophobicContact CE-CD1 4.05Å; M79-I165 HydrophobicContact CE-CG1 3.8Å; M79-I165 HydrophobicContact CE-CG2 3.8Å; M79-I165 HydrophobicContact CG-CB 4.13Å; M79-I165 HydrophobicContact CG-CG1 4Å; M79-I165 HydrophobicContact CG-CG2 3.99Å; M79-I165 HydrophobicContact SD-CG2 4.23Å; M79-S168 WeakPolarHBondContact CB-OG 3.5Å
80L92.5Very high90.9Very high2 Ų246.6 Ų46.61%0.0124%0.242CC..Hα-helixtrans-62.4-33175.2-70.5179.1000112.8V76 T77 A84 T172 W531 L532V76-L80 HydrophobicContact CG1-CD1 4.24Å; V76-L80 HydrophobicContact CG1-CD2 4.45Å; V76-L80 HydrophobicContact CG1-CG 4.14Å; V76-L80 WeakPolarHBondContact O-CG 3.43Å; V76-L80 PolarHBondContact O-N 3.27Å; T77-L80 PolarHBondContact O-N 3.48Å; L80-A84 VanDerWaalsContact O-CB 3.31Å; L80-A84 WeakPolarHBondContact O-CB 3.11Å; L80-A84 PolarHBondContact O-N 3Å; L80-T172 HydrophobicContact CD2-CG2 3.28Å; L80-W531 HydrophobicContact CD1-CB 3.75Å; L80-L532 HydrophobicContact CD1-CB 4.11Å
81I91.2Very high90.6Very high87 Ų8748 Ų4845%0.44625%0.249SC..Hα-helixtrans-63.1-57.6-179.6-59.5171.2000111.7M79 L83 A84 L85 L532M79-I81 VanDerWaalsContact C-N 3.26Å; M79-I81 PolarHBondContact O-N 3.42Å; I81-L83 VanDerWaalsContact C-N 3.31Å; I81-L83 PolarHBondContact O-N 3.13Å; I81-A84 PolarHBondContact O-N 3.1Å; I81-L85 HydrophobicContact CG2-CD1 4.25Å; I81-L85 WeakPolarHBondContact O-CG 3.49Å; I81-L85 PolarHBondContact O-N 3.13Å; I81-L532 HydrophobicContact CG1-CD1 3.88Å
82P92.1Very high90.3Very high52 Ų5248 Ų4834%0.33825%0.247SC..Hα-helixtrans-62.8-36.9176.823.5-32.6000112.1V78 M79 A84 L85 Y86V78-P82 WeakPolarHBondContact O-CD 3.31Å; M79-P82 VanDerWaalsContact O-CD 3.24Å; M79-P82 WeakPolarHBondContact O-CD 3.29Å; M79-P82 VanDerWaalsContact O-CG 3.3Å; M79-P82 WeakPolarHBondContact O-CG 3.5Å; M79-P82 HydrophobicContact SD-CG 4.26Å; P82-A84 VanDerWaalsContact C-N 3.33Å; P82-A84 PolarHBondContact O-N 3.44Å; P82-L85 PolarHBondContact O-N 2.67Å; P82-Y86 VanDerWaalsContact O-CD2 3.25Å; P82-Y86 WeakPolarHBondContact O-CD2 3.37Å; P82-Y86 PolarHBondContact O-N 3.19Å; P82-Y86 VanDerWaalsContact O-N 3.07Å
83L90.5Very high90.2Very high23 Ų2347.7 Ų47.712%0.1225%0.246CC..Hα-helixtrans-60.2-43.5174.9-67.8172.4000111.4M79 I81 L85 Y86 A87 P169 Y173M79-L83 WeakPolarHBondContact O-CD1 3.37Å; M79-L83 WeakPolarHBondContact O-CG 3.3Å; M79-L83 PolarHBondContact O-N 3.01Å; I81-L83 VanDerWaalsContact C-N 3.31Å; I81-L83 PolarHBondContact O-N 3.13Å; L83-L85 PolarHBondContact O-N 3.08Å; L83-Y86 PolarHBondContact O-N 3.3Å; L83-A87 WeakPolarHBondContact O-CA 3.47Å; L83-A87 PolarHBondContact O-N 3.2Å; L83-P169 HydrophobicContact CD1-CB 4.47Å; L83-P169 HydrophobicContact CD1-CG 4.05Å; L83-P169 HydrophobicContact CD2-CG 4.16Å; L83-Y173 WeakPolarHBondContact CA-OH 3.41Å; L83-Y173 HydrophobicContact CB-CE1 4.5Å; L83-Y173 HydrophobicContact CD2-CD2 4.37Å; L83-Y173 HydrophobicContact CD2-CE2 3.53Å; L83-Y173 PolarHBondContact O-OH 3.44Å
84A87.6Confident90Very high7 Ų751.6 Ų51.66%0.05826%0.263CS..Hα-helixtrans-64.8-39.8177.200000112.7L80 I81 P82 Y86 F294 C528L80-A84 VanDerWaalsContact O-CB 3.31Å; L80-A84 WeakPolarHBondContact O-CB 3.11Å; L80-A84 PolarHBondContact O-N 3Å; I81-A84 PolarHBondContact O-N 3.1Å; P82-A84 VanDerWaalsContact C-N 3.33Å; P82-A84 PolarHBondContact O-N 3.44Å; A84-Y86 VanDerWaalsContact C-N 3.34Å; A84-Y86 PolarHBondContact O-N 2.69Å; A84-F294 HydrophobicContact CB-CE2 3.78Å; A84-F294 HydrophobicContact CB-CZ 4.4Å; A84-C528 HydrophobicContact CB-CB 3.76Å
85L88.1Confident89.9Confident79 Ų7950.2 Ų50.241%0.41426%0.256SS..Hα-helixtrans-66.5-33.2179.2-70.8172.9000113.4I81 P82 L83 F294I81-L85 HydrophobicContact CG2-CD1 4.25Å; I81-L85 WeakPolarHBondContact O-CG 3.49Å; I81-L85 PolarHBondContact O-N 3.13Å; P82-L85 PolarHBondContact O-N 2.67Å; L83-L85 PolarHBondContact O-N 3.08Å; L85-F294 HydrophobicContact CD2-CB 4.39Å; L85-F294 HydrophobicContact CD2-CD1 3.53Å; L85-F294 HydrophobicContact CD2-CD2 3.97Å; L85-F294 HydrophobicContact CD2-CE1 3.67Å; L85-F294 HydrophobicContact CD2-CE2 4.11Å; L85-F294 HydrophobicContact CD2-CG 3.69Å; L85-F294 HydrophobicContact CD2-CZ 3.96Å; L85-F294 HydrophobicContact CG-CZ 4.49Å
86Y87.2Confident89.8Confident130 Ų13047 Ų4751%0.5124%0.242SC..Hα-helixtrans-105.66.2-175-69.2-74.4000113.9P82 L83 A84 T88 K89 V90P82-Y86 VanDerWaalsContact O-CD2 3.25Å; P82-Y86 WeakPolarHBondContact O-CD2 3.37Å; P82-Y86 PolarHBondContact O-N 3.19Å; P82-Y86 VanDerWaalsContact O-N 3.07Å; L83-Y86 PolarHBondContact O-N 3.3Å; A84-Y86 VanDerWaalsContact C-N 3.34Å; A84-Y86 PolarHBondContact O-N 2.69Å; Y86-T88 VanDerWaalsContact C-N 3.25Å; Y86-T88 PolarHBondContact O-N 3.29Å; Y86-T88 VanDerWaalsContact O-N 3.07Å; Y86-K89 HydrophobicContact CD1-CD 4.39Å; Y86-K89 PolarHBondContact O-N 3.16Å; Y86-V90 WeakPolarHBondContact O-CG2 3.47Å; Y86-V90 PolarHBondContact O-N 3.44Å
87A81.8Confident89.8Confident2 Ų246.7 Ų46.72%0.01724%0.24CC..THydrogen-bonded Turntrans-50.2-38.9-172.100000114.5L83 K92 Y173 D524L83-A87 WeakPolarHBondContact O-CA 3.47Å; L83-A87 PolarHBondContact O-N 3.2Å; A87-K92 VanDerWaalsContact O-CE 3.23Å; A87-K92 WeakPolarHBondContact O-CE 3.46Å; A87-Y173 HydrophobicContact CB-CE1 4.15Å; A87-D524 HydrophobicContact CB-CB 4.08Å
88T76.9Confident89.9Confident79 Ų7950.7 Ų50.749%0.48526%0.26SS..THydrogen-bonded Turntrans-87.1-15.3-178.758.10000114.1Y86Y86-T88 VanDerWaalsContact C-N 3.25Å; Y86-T88 PolarHBondContact O-N 3.29Å; Y86-T88 VanDerWaalsContact O-N 3.07Å
89K82Confident89.9Confident157 Ų15747.1 Ų47.168%0.68324%0.239SC*.THydrogen-bonded Turntrans-100.4-24.6-170.3-64.8-179.4-179.7175.20113.5Y86Y86-K89 HydrophobicContact CD1-CD 4.39Å; Y86-K89 PolarHBondContact O-N 3.16Å
90V85.9Confident90.1Very high41 Ų4144.3 Ų44.325%0.24823%0.225CC..SBendtrans-95.2161.5-173.7-62.20000113Y86 K92 Y173Y86-V90 WeakPolarHBondContact O-CG2 3.47Å; Y86-V90 PolarHBondContact O-N 3.44Å; V90-K92 PolarHBondContact O-N 2.94Å; V90-Y173 HydrophobicContact CG2-CE2 4Å
91N88.6Confident90.3Very high33 Ų3347.6 Ų47.618%0.17624%0.241CC..  trans-80.198.9162.4-177.8-26.6000108.4V93 K94 C95N91-V93 VanDerWaalsContact C-N 3.27Å; N91-V93 PolarHBondContact O-N 3.47Å; N91-V93 PolarHBondContact OD1-N 3.47Å; N91-V93 VanDerWaalsContact OD1-N 3.14Å; N91-K94 HydrophobicContact CB-CB 4.2Å; N91-K94 HydrophobicContact CB-CD 4.13Å; N91-K94 HydrophobicContact CB-CG 4.2Å; N91-K94 PolarHBondContact O-N 3.08Å; N91-K94 PolarHBondContact OD1-N 2.71Å; N91-C95 PolarHBondContact O-N 2.94Å; N91-C95 VanDerWaalsContact O-N 3.16Å
92K90.1Very high90.6Very high17 Ų1746.1 Ų46.17%0.07423%0.234CC..Hα-helixtrans-50.1-45.1-179-67.7-178.9-177.4-177.60112.8A87 V90 K94 C95 I96 Y173 E180 D524A87-K92 VanDerWaalsContact O-CE 3.23Å; A87-K92 WeakPolarHBondContact O-CE 3.46Å; V90-K92 PolarHBondContact O-N 2.94Å; K92-K94 PolarHBondContact O-N 3.08Å; K92-C95 WeakPolarHBondContact O-CB 3.21Å; K92-C95 PolarHBondContact O-N 3.45Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 3.27Å; K92-I96 VanDerWaalsContact O-N 3.09Å; K92-Y173 HydrophobicContact CB-CD2 4.01Å; K92-Y173 HydrophobicContact CB-CG 4.04Å; K92-Y173 HydrophobicContact CD-CD1 4.27Å; K92-Y173 HydrophobicContact CD-CG 4.38Å; K92-Y173 HydrophobicContact CG-CD1 4.15Å; K92-Y173 HydrophobicContact CG-CD2 4.12Å; K92-Y173 HydrophobicContact CG-CE1 4.45Å; K92-Y173 HydrophobicContact CG-CE2 4.4Å; K92-Y173 HydrophobicContact CG-CG 3.98Å; K92-E180 VanDerWaalsContact NZ-CD 3.28Å; K92-E180 IonicContact NZ-OE1 3.2Å; K92-E180 PolarHBondContact NZ-OE1 3.38Å; K92-E180 IonicContact NZ-OE2 3.21Å; K92-E180 PolarHBondContact NZ-OE2 2.8Å; K92-D524 IonicContact NZ-OD1 2.8Å; K92-D524 PolarHBondContact NZ-OD1 3.39Å; K92-D524 IonicContact NZ-OD2 3.89Å; K92-D524 PolarHBondContact NZ-OD2 3.16Å
93V91.7Very high90.8Very high1 Ų143.6 Ų43.61%0.00622%0.218CC..Hα-helixtrans-66-39.7-176.6-1710000111.9F28 N91 C95 I96 G97 F181 L258 F261F28-V93 HydrophobicContact CD2-CG1 4.42Å; F28-V93 HydrophobicContact CE2-CG1 3.75Å; F28-V93 HydrophobicContact CE2-CG2 3.96Å; F28-V93 HydrophobicContact CZ-CG2 4.39Å; N91-V93 VanDerWaalsContact C-N 3.27Å; N91-V93 PolarHBondContact O-N 3.47Å; N91-V93 PolarHBondContact OD1-N 3.47Å; N91-V93 VanDerWaalsContact OD1-N 3.14Å; V93-C95 PolarHBondContact O-N 3.33Å; V93-I96 WeakPolarHBondContact O-CB 3.41Å; V93-I96 PolarHBondContact O-N 2.86Å; V93-G97 PolarHBondContact O-N 3.3Å; V93-F181 HydrophobicContact CG2-CE2 3.87Å; V93-F181 HydrophobicContact CG2-CZ 3.9Å; V93-L258 HydrophobicContact CG1-CD2 4.45Å; V93-F261 HydrophobicContact CB-CB 4.32Å; V93-F261 HydrophobicContact CG1-CB 3.5Å; V93-F261 VanDerWaalsContact CG1-CB 3.5Å; V93-F261 HydrophobicContact CG1-CG 4.23Å
94K91.7Very high91.2Very high85 Ų8542.5 Ų42.537%0.3721%0.212SC..Hα-helixtrans-64.9-38.6174.9-70.4-175.1178.4-176.10112.5N91 K92 I96 G97 L98N91-K94 HydrophobicContact CB-CB 4.2Å; N91-K94 HydrophobicContact CB-CD 4.13Å; N91-K94 HydrophobicContact CB-CG 4.2Å; N91-K94 PolarHBondContact O-N 3.08Å; N91-K94 PolarHBondContact OD1-N 2.71Å; K92-K94 PolarHBondContact O-N 3.08Å; K94-I96 VanDerWaalsContact C-N 3.28Å; K94-I96 PolarHBondContact O-N 3.25Å; K94-G97 PolarHBondContact O-N 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.22Å; K94-L98 PolarHBondContact O-N 3.09Å
95C94Very high91.6Very high33 Ų3345.9 Ų45.922%0.22323%0.228CC..Hα-helixtrans-60.6-39.5173.7-65.70000111.5N91 K92 V93 G99 P169 Y173N91-C95 PolarHBondContact O-N 2.94Å; N91-C95 VanDerWaalsContact O-N 3.16Å; K92-C95 WeakPolarHBondContact O-CB 3.21Å; K92-C95 PolarHBondContact O-N 3.45Å; V93-C95 PolarHBondContact O-N 3.33Å; C95-G99 PolarHBondContact O-N 3.4Å; C95-P169 HydrophobicContact CB-CB 4.34Å; C95-Y173 HydrophobicContact CB-CD2 4.03Å; C95-Y173 HydrophobicContact CB-CE2 3.97Å
96I95.2Very high92.1Very high1 Ų142.1 Ų42.11%0.00521%0.208CC..Hα-helixtrans-63.2-47.7174.9-59.2167.2000110.8L32 K92 V93 K94 G99 M100 P169 L170 L258L32-I96 HydrophobicContact CD1-CD1 4.03Å; L32-I96 HydrophobicContact CD1-CG2 4.04Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 3.27Å; K92-I96 VanDerWaalsContact O-N 3.09Å; V93-I96 WeakPolarHBondContact O-CB 3.41Å; V93-I96 PolarHBondContact O-N 2.86Å; K94-I96 VanDerWaalsContact C-N 3.28Å; K94-I96 PolarHBondContact O-N 3.25Å; I96-G99 PolarHBondContact O-N 3.03Å; I96-M100 WeakPolarHBondContact O-CG 3.3Å; I96-M100 PolarHBondContact O-N 3.47Å; I96-P169 HydrophobicContact CG1-CB 4.05Å; I96-L170 HydrophobicContact CG2-CB 4.36Å; I96-L170 HydrophobicContact CG2-CD1 3.41Å; I96-L170 VanDerWaalsContact CG2-CD1 3.41Å; I96-L170 HydrophobicContact CG2-CG 4.48Å; I96-L258 HydrophobicContact CG2-CD1 3.94Å
97G95.1Very high92.6Very high0 Ų035.9 Ų35.90%018%0.184CC..Hα-helixtrans-59.6-47.9178.400000113.1V93 K94 G99 M100 M101V93-G97 PolarHBondContact O-N 3.3Å; K94-G97 PolarHBondContact O-N 3.3Å; G97-G99 VanDerWaalsContact C-N 3.34Å; G97-G99 PolarHBondContact O-N 3.29Å; G97-M100 PolarHBondContact O-N 3.07Å; G97-M101 PolarHBondContact O-N 3.23Å; G97-M101 VanDerWaalsContact O-N 3.17Å
98L95.3Very high93.3Very high97 Ų9737.9 Ų37.951%0.50819%0.194SC..Hα-helixtrans-63.1-40.6175.8-70.6173000112.1K94 M100 M101 I102 I259K94-L98 WeakPolarHBondContact O-CG 3.22Å; K94-L98 PolarHBondContact O-N 3.09Å; L98-M100 PolarHBondContact O-N 2.71Å; L98-M101 HydrophobicContact CD2-SD 4.49Å; L98-M101 WeakPolarHBondContact O-CB 3.47Å; L98-M101 PolarHBondContact O-N 3.38Å; L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.34Å; L98-I259 HydrophobicContact CD2-CD1 4.09Å
99G96.9Very high94.3Very high4 Ų436.3 Ų36.34%0.04118%0.182CC..Hα-helixtrans-58.6-46.7175.700000112.2C95 I96 G97 M101 I102 V103 G166C95-G99 PolarHBondContact O-N 3.4Å; I96-G99 PolarHBondContact O-N 3.03Å; G97-G99 VanDerWaalsContact C-N 3.34Å; G97-G99 PolarHBondContact O-N 3.29Å; G99-M101 VanDerWaalsContact C-N 3.29Å; G99-M101 PolarHBondContact O-N 2.87Å; G99-I102 WeakPolarHBondContact O-CB 3.3Å; G99-I102 PolarHBondContact O-N 3.12Å; G99-V103 PolarHBondContact O-N 2.96Å; G99-G166 CarbonylContact C-O 3.58Å; G99-G166 WeakPolarHBondContact CA-O 3.49Å; G99-G166 CarbonylContact O-C 3.53Å; G99-G166 WeakPolarHBondContact O-CA 3.47Å
100M97.2Very high94.8Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-65.8-29178.3-71.1-56.2-57.500113.6N35 Q39 I96 G97 L98 V103 G104 L170 A251 A255N35-M100 HydrophobicContact CB-CE 3.96Å; N35-M100 HydrophobicContact CB-CG 4.03Å; N35-M100 HydrophobicContact CB-SD 4.26Å; Q39-M100 HydrophobicContact CB-CE 4.35Å; Q39-M100 HydrophobicContact CB-SD 4.46Å; I96-M100 WeakPolarHBondContact O-CG 3.3Å; I96-M100 PolarHBondContact O-N 3.47Å; G97-M100 PolarHBondContact O-N 3.07Å; L98-M100 PolarHBondContact O-N 2.71Å; M100-V103 HydrophobicContact CE-CB 4.43Å; M100-V103 HydrophobicContact CE-CG1 4.32Å; M100-V103 PolarHBondContact O-N 3.49Å; M100-V103 HydrophobicContact SD-CG2 4.27Å; M100-G104 PolarHBondContact O-N 3.36Å; M100-L170 HydrophobicContact SD-CD2 3.75Å; M100-A251 HydrophobicContact CE-CB 4.4Å; M100-A255 HydrophobicContact CB-CB 3.71Å
101M96.8Very high95.2Very high71 Ų7128.1 Ų28.135%0.3514%0.144SC..Hα-helixtrans-63.4-44169.9-68.4-176.968.500111.4G97 L98 G99 V103 G104 I105 L252 A255 I259G97-M101 PolarHBondContact O-N 3.23Å; G97-M101 VanDerWaalsContact O-N 3.17Å; L98-M101 HydrophobicContact CD2-SD 4.49Å; L98-M101 WeakPolarHBondContact O-CB 3.47Å; L98-M101 PolarHBondContact O-N 3.38Å; G99-M101 VanDerWaalsContact C-N 3.29Å; G99-M101 PolarHBondContact O-N 2.87Å; M101-V103 VanDerWaalsContact C-N 3.32Å; M101-V103 PolarHBondContact O-N 2.91Å; M101-G104 PolarHBondContact O-N 3.22Å; M101-I105 WeakPolarHBondContact O-CG1 3.18Å; M101-I105 PolarHBondContact O-N 3.04Å; M101-L252 HydrophobicContact CB-CD2 4.37Å; M101-L252 WeakPolarHBondContact O-CD2 3.26Å; M101-A255 HydrophobicContact CG-CB 3.63Å; M101-I259 HydrophobicContact CG-CD1 4.19Å; M101-I259 HydrophobicContact SD-CD1 3.35Å; M101-I259 WeakPolarHBondContact SD-CD1 3.47Å
102I97.4Very high95.5Very high56 Ų5629.6 Ų29.629%0.28715%0.152SC..Hα-helixtrans-64.5-38.9177.6-59.5170.1000110.3L98 G99 G104 I105 G106 F162 I165L98-I102 WeakPolarHBondContact O-CG1 3.45Å; L98-I102 PolarHBondContact O-N 3.34Å; G99-I102 WeakPolarHBondContact O-CB 3.3Å; G99-I102 PolarHBondContact O-N 3.12Å; I102-G104 VanDerWaalsContact C-N 3.33Å; I102-G104 PolarHBondContact O-N 2.61Å; I102-I105 PolarHBondContact O-N 3.24Å; I102-G106 PolarHBondContact O-N 3.41Å; I102-F162 HydrophobicContact CG2-CB 4.36Å; I102-F162 HydrophobicContact CG2-CD1 4.11Å; I102-F162 VanDerWaalsContact CG2-O 3.25Å; I102-F162 WeakPolarHBondContact CG2-O 3.28Å; I102-I165 HydrophobicContact CD1-CG2 4.33Å; I102-I165 HydrophobicContact CG2-CG2 4.47Å
103V97.8Very high95.5Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-57.8-45.9172.1172.10000111.1I42 G99 M100 M101 I105 G106 S107 V163 G166 A167I42-V103 HydrophobicContact CD1-CG1 3.85Å; G99-V103 PolarHBondContact O-N 2.96Å; M100-V103 HydrophobicContact CE-CB 4.43Å; M100-V103 HydrophobicContact CE-CG1 4.32Å; M100-V103 PolarHBondContact O-N 3.49Å; M100-V103 HydrophobicContact SD-CG2 4.27Å; M101-V103 VanDerWaalsContact C-N 3.32Å; M101-V103 PolarHBondContact O-N 2.91Å; V103-I105 PolarHBondContact O-N 2.82Å; V103-G106 PolarHBondContact O-N 3.27Å; V103-S107 WeakPolarHBondContact O-CB 3.32Å; V103-S107 PolarHBondContact O-N 2.65Å; V103-V163 HydrophobicContact CG1-CG1 4.36Å; V103-G166 VanDerWaalsContact CG2-C 3.43Å; V103-A167 HydrophobicContact CG2-CB 4.04Å; V103-A167 VanDerWaalsContact CG2-N 3.33Å
104G97.5Very high95.4Very high0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-58.9-45.8177.700000112.8M100 M101 I102 S107 I108 G248M100-G104 PolarHBondContact O-N 3.36Å; M101-G104 PolarHBondContact O-N 3.22Å; I102-G104 VanDerWaalsContact C-N 3.33Å; I102-G104 PolarHBondContact O-N 2.61Å; G104-S107 PolarHBondContact O-N 2.97Å; G104-I108 WeakPolarHBondContact O-CG1 3.22Å; G104-I108 PolarHBondContact O-N 3.47Å; G104-G248 WeakPolarHBondContact CA-O 3.46Å
105I97.5Very high95.2Very high77 Ų7731.2 Ų31.240%0.39516%0.156SC..Hα-helixtrans-62.1-51175.2-63.3168.9000110.5M101 I102 V103 S107 I108 L109 F162 L252M101-I105 WeakPolarHBondContact O-CG1 3.18Å; M101-I105 PolarHBondContact O-N 3.04Å; I102-I105 PolarHBondContact O-N 3.24Å; V103-I105 PolarHBondContact O-N 2.82Å; I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 PolarHBondContact O-N 3.49Å; I105-I108 PolarHBondContact O-N 3.29Å; I105-L109 HydrophobicContact CG2-CD1 4.22Å; I105-L109 HydrophobicContact CG2-CG 4.39Å; I105-L109 WeakPolarHBondContact O-CG 3.19Å; I105-L109 PolarHBondContact O-N 2.94Å; I105-F162 HydrophobicContact CG2-CD1 4.37Å; I105-L252 HydrophobicContact CG1-CD2 4.17Å
106G97.6Very high95Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-57.3-40.3-179.800000112.8I102 V103 L109I102-G106 PolarHBondContact O-N 3.41Å; V103-G106 PolarHBondContact O-N 3.27Å; G106-L109 PolarHBondContact O-N 2.87Å
107S97.3Very high94.5Very high0 Ų033.4 Ų33.40%017%0.171CC..Hα-helixtrans-63.9-39.6175.7-167.90000112.2V103 G104 I105 V110 F244V103-S107 WeakPolarHBondContact O-CB 3.32Å; V103-S107 PolarHBondContact O-N 2.65Å; G104-S107 PolarHBondContact O-N 2.97Å; I105-S107 VanDerWaalsContact C-N 3.28Å; I105-S107 PolarHBondContact O-N 3.49Å; S107-V110 WeakPolarHBondContact O-CB 3.17Å; S107-V110 WeakPolarHBondContact O-CG2 3.49Å; S107-V110 PolarHBondContact O-N 3.29Å; S107-F244 WeakPolarHBondContact O-CB 3.43Å; S107-F244 PolarHBondContact OG-O 3.32Å
108I97.4Very high93.8Very high44 Ų4435.6 Ų35.623%0.22619%0.193CC..Hα-helixtrans-68.1-37.5177.1-65.6165.4000111G104 I105 V110 I111 F249 L252G104-I108 WeakPolarHBondContact O-CG1 3.22Å; G104-I108 PolarHBondContact O-N 3.47Å; I105-I108 PolarHBondContact O-N 3.29Å; I108-V110 PolarHBondContact O-N 2.88Å; I108-V110 VanDerWaalsContact O-N 3.09Å; I108-I111 WeakPolarHBondContact O-CG2 3.46Å; I108-I111 PolarHBondContact O-N 3.37Å; I108-F249 HydrophobicContact CD1-CD1 4.18Å; I108-F249 HydrophobicContact CD1-CE1 4.11Å; I108-F249 HydrophobicContact CD1-CE2 4.45Å; I108-F249 HydrophobicContact CD1-CG 4.38Å; I108-F249 HydrophobicContact CD1-CZ 4.24Å; I108-L252 HydrophobicContact CD1-CD1 3.93Å
109L96.4Very high93.1Very high45 Ų4536.7 Ų36.724%0.23621%0.206CC..Hα-helixtrans-60.4-21.5-180-67175.3000113.5I105 G106 I111 I112 F162I105-L109 HydrophobicContact CG2-CD1 4.22Å; I105-L109 HydrophobicContact CG2-CG 4.39Å; I105-L109 WeakPolarHBondContact O-CG 3.19Å; I105-L109 PolarHBondContact O-N 2.94Å; G106-L109 PolarHBondContact O-N 2.87Å; L109-I111 PolarHBondContact O-N 3.29Å; L109-I111 VanDerWaalsContact O-N 3.14Å; L109-I112 HydrophobicContact CB-CD1 4.29Å; L109-I112 HydrophobicContact CD2-CD1 3.54Å; L109-I112 WeakPolarHBondContact O-CB 3.35Å; L109-I112 WeakPolarHBondContact O-CG1 3.25Å; L109-I112 PolarHBondContact O-N 2.91Å; L109-I112 VanDerWaalsContact O-N 3.12Å; L109-F162 HydrophobicContact CD1-CD1 4.35Å; L109-F162 HydrophobicContact CD1-CD2 3.95Å; L109-F162 HydrophobicContact CD1-CE2 4.18Å; L109-F162 HydrophobicContact CD1-CG 4.04Å; L109-F162 HydrophobicContact CD1-CZ 4.49Å
110V94.1Very high92.4Very high1 Ų137.5 Ų37.51%0.00621%0.208CC..THydrogen-bonded Turntrans-59.2-22.5177.2177.40000112.7S107 I108 P113 S159 W240 F244S107-V110 WeakPolarHBondContact O-CB 3.17Å; S107-V110 WeakPolarHBondContact O-CG2 3.49Å; S107-V110 PolarHBondContact O-N 3.29Å; I108-V110 PolarHBondContact O-N 2.88Å; I108-V110 VanDerWaalsContact O-N 3.09Å; V110-P113 WeakPolarHBondContact O-CD 3Å; V110-S159 WeakPolarHBondContact CG2-OG 3.46Å; V110-W240 HydrophobicContact CG1-CE3 4.47Å; V110-W240 HydrophobicContact CG1-CH2 4.24Å; V110-W240 HydrophobicContact CG1-CZ3 3.54Å; V110-W240 WeakPolarHBondContact O-CH2 3.27Å; V110-F244 HydrophobicContact CB-CB 4.18Å; V110-F244 HydrophobicContact CB-CD1 4.39Å; V110-F244 HydrophobicContact CB-CG 4.14Å; V110-F244 HydrophobicContact CG1-CB 4.32Å; V110-F244 HydrophobicContact CG1-CD1 4.24Å; V110-F244 HydrophobicContact CG1-CD2 3.78Å; V110-F244 HydrophobicContact CG1-CE1 4.48Å; V110-F244 HydrophobicContact CG1-CE2 4.03Å; V110-F244 HydrophobicContact CG1-CG 3.87Å; V110-F244 HydrophobicContact CG1-CZ 4.36Å; V110-F244 HydrophobicContact CG2-CD1 4.08Å; V110-F244 HydrophobicContact CG2-CE1 4.47Å; V110-F244 HydrophobicContact CG2-CG 4.34Å
111I94.1Very high91.2Very high25 Ų2541 Ų4113%0.12823%0.233CC..THydrogen-bonded Turntrans-76.3-20.3178.4-160.6171.9000113.6I108 L109 E114 Y115 W241 V245I108-I111 WeakPolarHBondContact O-CG2 3.46Å; I108-I111 PolarHBondContact O-N 3.37Å; L109-I111 PolarHBondContact O-N 3.29Å; L109-I111 VanDerWaalsContact O-N 3.14Å; I111-E114 WeakPolarHBondContact O-CB 3.3Å; I111-E114 PolarHBondContact O-N 3.25Å; I111-E114 VanDerWaalsContact O-N 3.1Å; I111-Y115 HydrophobicContact CD1-CD2 4.32Å; I111-Y115 HydrophobicContact CD1-CE2 3.43Å; I111-Y115 VanDerWaalsContact CD1-CE2 3.43Å; I111-Y115 HydrophobicContact CG1-CD2 3.95Å; I111-Y115 HydrophobicContact CG1-CE2 3.54Å; I111-Y115 HydrophobicContact CG2-CE2 4.48Å; I111-W241 HydrophobicContact CD1-CD2 3.88Å; I111-W241 HydrophobicContact CD1-CE3 3.27Å; I111-W241 HydrophobicContact CD1-CH2 4.45Å; I111-W241 HydrophobicContact CD1-CZ3 3.61Å; I111-W241 HydrophobicContact CG1-CB 4.13Å; I111-W241 HydrophobicContact CG1-CD2 4.06Å; I111-W241 HydrophobicContact CG1-CE3 3.9Å; I111-W241 HydrophobicContact CG1-CG 4.18Å; I111-V245 HydrophobicContact CB-CG2 4.05Å; I111-V245 HydrophobicContact CD1-CG2 3.74Å; I111-V245 HydrophobicContact CG1-CG2 4.37Å; I111-V245 HydrophobicContact CG2-CG2 4.45Å
112I93.8Very high89.9Confident64 Ų6438.4 Ų38.433%0.32822%0.221SC..Hα-helixtrans-56-48.6-173.4-62.8171.5000112.2L109 E114 Y115 T116 L155L109-I112 HydrophobicContact CB-CD1 4.29Å; L109-I112 HydrophobicContact CD2-CD1 3.54Å; L109-I112 WeakPolarHBondContact O-CB 3.35Å; L109-I112 WeakPolarHBondContact O-CG1 3.25Å; L109-I112 PolarHBondContact O-N 2.91Å; L109-I112 VanDerWaalsContact O-N 3.12Å; I112-E114 PolarHBondContact O-N 3.48Å; I112-E114 VanDerWaalsContact O-N 3.13Å; I112-Y115 PolarHBondContact O-N 3.45Å; I112-T116 HydrophobicContact CG2-CG2 3.98Å; I112-T116 PolarHBondContact O-N 2.76Å; I112-T116 PolarHBondContact O-OG1 3.17Å; I112-T116 VanDerWaalsContact O-OG1 3.05Å; I112-L155 HydrophobicContact CG2-CD1 4.12Å; I112-L155 HydrophobicContact CG2-CD2 4.27Å
113P91.5Very high88.2Confident0 Ų036.2 Ų36.20%021%0.212CC..Hα-helixtrans-52.6-33.7177.4-26.632.7000115F58 V110 Y115 T116 A117 E152 L155 L156F58-P113 HydrophobicContact CE1-CB 3.98Å; F58-P113 HydrophobicContact CE2-CB 4.14Å; F58-P113 HydrophobicContact CZ-CB 3.46Å; F58-P113 VanDerWaalsContact CZ-CB 3.46Å; V110-P113 WeakPolarHBondContact O-CD 3Å; P113-Y115 VanDerWaalsContact C-N 3.33Å; P113-Y115 PolarHBondContact O-N 3.42Å; P113-T116 VanDerWaalsContact CA-OG1 3.25Å; P113-T116 WeakPolarHBondContact CA-OG1 3.48Å; P113-T116 PolarHBondContact O-OG1 2.7Å; P113-A117 WeakPolarHBondContact O-CB 3.41Å; P113-A117 PolarHBondContact O-N 3.04Å; P113-E152 VanDerWaalsContact CA-OE2 3.28Å; P113-E152 WeakPolarHBondContact CA-OE2 3.24Å; P113-E152 HydrophobicContact CB-CB 4.41Å; P113-L155 HydrophobicContact CG-CB 3.73Å; P113-L156 HydrophobicContact CB-CD2 4.48Å; P113-L156 HydrophobicContact CB-CG 4.37Å; P113-L156 HydrophobicContact CG-CD2 3.87Å; P113-L156 HydrophobicContact CG-CG 3.82Å
114E89.3Confident86.2Confident16 Ų1641.3 Ų41.38%0.07524%0.236CC..Hα-helixtrans-66.4-37.6-179.1177.660.2-169.600111.8R57 I111 I112 Y120 W240 W241R57-E114 IonicContact NE-OE2 2.78Å; R57-E114 PolarHBondContact NE-OE2 2.77Å; I111-E114 WeakPolarHBondContact O-CB 3.3Å; I111-E114 PolarHBondContact O-N 3.25Å; I111-E114 VanDerWaalsContact O-N 3.1Å; I112-E114 PolarHBondContact O-N 3.48Å; I112-E114 VanDerWaalsContact O-N 3.13Å; E114-Y120 WeakPolarHBondContact OE1-CE2 3.43Å; E114-Y120 VanDerWaalsContact OE1-CZ 3.26Å; E114-Y120 PolarHBondContact OE1-OH 3.32Å; E114-Y120 PolarHBondContact OE2-OH 3.39Å; E114-W240 HydrophobicContact CB-CZ2 4.14Å; E114-W241 HydrophobicContact CG-CG 4.41Å
115Y88Confident83.9Confident122 Ų12242.4 Ų42.448%0.47824%0.243SC..Hα-helixtrans-86.2-26.7179.9-70.9-69.3000113.6I111 I112 P113I111-Y115 HydrophobicContact CD1-CD2 4.32Å; I111-Y115 HydrophobicContact CD1-CE2 3.43Å; I111-Y115 VanDerWaalsContact CD1-CE2 3.43Å; I111-Y115 HydrophobicContact CG1-CD2 3.95Å; I111-Y115 HydrophobicContact CG1-CE2 3.54Å; I111-Y115 HydrophobicContact CG2-CE2 4.48Å; I112-Y115 PolarHBondContact O-N 3.45Å; P113-Y115 VanDerWaalsContact C-N 3.33Å; P113-Y115 PolarHBondContact O-N 3.42Å
116T88.8Confident81.6Confident59 Ų5946.7 Ų46.736%0.36226%0.258SS..Hα-helixtrans-81.5-24.7177.346.70000112.5I112 P113 R151 E152 L155I112-T116 HydrophobicContact CG2-CG2 3.98Å; I112-T116 PolarHBondContact O-N 2.76Å; I112-T116 PolarHBondContact O-OG1 3.17Å; I112-T116 VanDerWaalsContact O-OG1 3.05Å; P113-T116 VanDerWaalsContact CA-OG1 3.25Å; P113-T116 WeakPolarHBondContact CA-OG1 3.48Å; P113-T116 PolarHBondContact O-OG1 2.7Å; T116-R151 PolarHBondContact O-NH2 2.66Å; T116-R151 VanDerWaalsContact O-NH2 3.1Å; T116-E152 PolarHBondContact OG1-OE1 3.49Å; T116-E152 PolarHBondContact OG1-OE2 3.16Å; T116-L155 HydrophobicContact CG2-CD1 4.41Å
117A84.4Confident79.8Confident20 Ų2051.1 Ų51.117%0.16528%0.278CS..SBendtrans-71.4145.4172.900000112.2F58 P113 E152F58-A117 HydrophobicContact CD1-CB 4.43Å; F58-A117 HydrophobicContact CE1-CB 3.8Å; P113-A117 WeakPolarHBondContact O-CB 3.41Å; P113-A117 PolarHBondContact O-N 3.04Å; A117-E152 HydrophobicContact CB-CG 4.47Å
118G80.8Confident78.5Confident46 Ų4651.4 Ų51.447%0.47428%0.279SS..  trans-64.3-178.8175.600000113.5R57R57-G118 PolarHBondContact NH1-O 2.88Å; R57-G118 PolarHBondContact NH2-O 2.99Å
119P81.1Confident77.7Confident120 Ų12049.6 Ų49.678%0.77927%0.27SS*.SBendtrans-56.3156.2-179.325.5-34.7000112.3S121P119-S121 PolarHBondContact O-N 2.92Å
120Y80.6Confident76.9Confident22 Ų2248.4 Ų48.49%0.08627%0.266CS..  trans-65.6131.5176.7-80.5-124.3000109.5R57 E114 W216 D218 I237R57-Y120 VanDerWaalsContact NE-CE2 3.32Å; E114-Y120 WeakPolarHBondContact OE1-CE2 3.43Å; E114-Y120 VanDerWaalsContact OE1-CZ 3.26Å; E114-Y120 PolarHBondContact OE1-OH 3.32Å; E114-Y120 PolarHBondContact OE2-OH 3.39Å; Y120-W216 HydrophobicContact CD1-CH2 4.05Å; Y120-W216 AromaticContact CD1-CZ2 3.68Å; Y120-W216 HydrophobicContact CD1-CZ2 3.68Å; Y120-W216 HydrophobicContact CE1-CZ2 4.36Å; Y120-W216 HydrophobicContact CG-CZ2 4.23Å; Y120-D218 HydrophobicContact CD2-CB 3.72Å; Y120-D218 HydrophobicContact CE2-CB 3.68Å; Y120-D218 HydrophobicContact CG-CB 4.22Å; Y120-I237 HydrophobicContact CD1-CB 4.4Å; Y120-I237 HydrophobicContact CD1-CD1 3.94Å; Y120-I237 HydrophobicContact CE1-CB 3.83Å; Y120-I237 HydrophobicContact CE1-CD1 3.93Å; Y120-I237 HydrophobicContact CE1-CG1 4.45Å; Y120-I237 HydrophobicContact CE1-CG2 3.78Å
121S72.5Confident76.2Confident74 Ų7452 Ų5252%0.51729%0.287SS..  trans-122.3104.9176.1-175.40000108.7P119P119-S121 PolarHBondContact O-N 2.92Å
122V70Confident75.5Confident15 Ų1555.9 Ų55.99%0.09131%0.312CS..SBendtrans-117.623.4-176.3-630000112.8W216 M226 I228 R235V122-W216 HydrophobicContact CG1-CH2 4.04Å; V122-M226 HydrophobicContact CG2-CB 3.55Å; V122-M226 HydrophobicContact CG2-CG 3.82Å; V122-M226 HydrophobicContact CG2-SD 3.65Å; V122-I228 HydrophobicContact CB-CD1 4.19Å; V122-I228 HydrophobicContact CG1-CD1 4.28Å; V122-I228 HydrophobicContact CG2-CD1 3.81Å; V122-R235 HydrophobicContact CB-CB 4.37Å; V122-R235 WeakPolarHBondContact O-CD 3.26Å; V122-R235 PolarHBondContact O-NH1 3.29Å
123G61.4Low74.3Confident11 Ų1156.2 Ų56.211%0.11333%0.331CS..  trans100.8129.6-173.100000111.4
124E55.4Low73.1Confident107 Ų10757.1 Ų57.150%0.534%0.341SS..  trans-90.2119.7169.2-75.8179.5160.500107.8K126 K127 D128E124-K126 PolarHBondContact O-N 2.89Å; E124-K127 PolarHBondContact O-N 3.48Å; E124-K127 WeakPolarHBondContact OE2-CD 3.45Å; E124-K127 WeakPolarHBondContact OE2-CE 3.46Å; E124-K127 IonicContact OE2-NZ 2.62Å; E124-K127 PolarHBondContact OE2-NZ 3.29Å; E124-D128 PolarHBondContact O-N 2.91Å
125V49.9Very low71.9Confident23 Ų2362.2 Ų62.214%0.13938%0.375CS..G310 helixtrans-50.9-33-174.81800000113.2K127 D128 F460V125-K127 VanDerWaalsContact C-N 3.3Å; V125-K127 PolarHBondContact O-N 3.35Å; V125-D128 PolarHBondContact O-N 3.39Å; V125-F460 HydrophobicContact CB-CD1 4.01Å; V125-F460 HydrophobicContact CB-CE1 4.15Å; V125-F460 HydrophobicContact CG2-CD1 3.75Å; V125-F460 HydrophobicContact CG2-CE1 4.25Å; V125-F460 HydrophobicContact CG2-CG 4.48Å
126K49.5Very low70.6Confident166 Ų16662 Ų6272%0.72238%0.382SS*.G310 helixtrans-69.2-21.4177.5-86-169.6172.6-173.80114.8E124E124-K126 PolarHBondContact O-N 2.89Å
127K59.6Low69.1Low94 Ų9465.5 Ų65.541%0.40939%0.393SS..G310 helixtrans-98.2-7.6178.4-71.3178.2179.2144.50113E124 V125E124-K127 PolarHBondContact O-N 3.48Å; E124-K127 WeakPolarHBondContact OE2-CD 3.45Å; E124-K127 WeakPolarHBondContact OE2-CE 3.46Å; E124-K127 IonicContact OE2-NZ 2.62Å; E124-K127 PolarHBondContact OE2-NZ 3.29Å; V125-K127 VanDerWaalsContact C-N 3.3Å; V125-K127 PolarHBondContact O-N 3.35Å
128D70.7Confident67.9Low5 Ų570.4 Ų70.43%0.02742%0.42CS..SBendtrans-88.5-4.2-174-80.66.1000113.7E124 V125 N433 P447 C448E124-D128 PolarHBondContact O-N 2.91Å; V125-D128 PolarHBondContact O-N 3.39Å; D128-N433 PolarHBondContact OD2-ND2 3.07Å; D128-P447 HydrophobicContact CB-CG 4.42Å; D128-P447 CarbonylContact O-C 3.45Å; D128-P447 WeakPolarHBondContact O-CB 3.45Å; D128-P447 WeakPolarHBondContact O-CD 3.39Å; D128-C448 WeakPolarHBondContact O-CA 3.35Å; D128-C448 VanDerWaalsContact O-CB 3.27Å; D128-C448 WeakPolarHBondContact O-CB 3.43Å; D128-C448 PolarHBondContact O-N 3.11Å
129V78.6Confident66.9Low7 Ų771.1 Ų71.14%0.04242%0.417CS..SBendtrans-105.2159.2178-67.70000111.9V131 P447 D454V129-V131 PolarHBondContact O-N 3.04Å; V129-P447 HydrophobicContact CG1-CB 4.48Å; V129-D454 HydrophobicContact CG2-CB 3.92Å
130C81.3Confident65.7Low20 Ų2070.3 Ų70.314%0.13542%0.415CS..BIsolated β-bridgetrans-69.5119179.3176.50000111.1C426 C452C130-C426 HydrophobicContact CB-CB 3.77Å; C130-C426 WeakPolarHBondContact CB-SG 3.43Å; C130-C426 WeakPolarHBondContact SG-CB 3.46Å; C130-C426 CovalentContact SG-SG 2.02Å; C130-C426 PolarHBondContact SG-SG 3.32Å; C130-C452 WeakPolarHBondContact CB-O 3.43Å; C130-C452 PolarHBondContact N-O 3.09Å
131V79Confident64.3Low76 Ų7679 Ų7946%0.46146%0.456SS..  trans-119.8118.9171.1-177.10000108.5V129V129-V131 PolarHBondContact O-N 3.04Å
132T78.3Confident63.5Low107 Ų10776.8 Ų76.866%0.65645%0.445SS*.BIsolated β-bridgetrans-77.9127.5176.454.30000110.3N425T132-N425 HydrophobicContact CG2-CB 4.38Å
133G69.6Low62.5Low70 Ų7081.1 Ų81.172%0.72248%0.476SS*.THydrogen-bonded Turntrans80.721177.700000115.6
134G65.6Low62.2Low20 Ų2084.8 Ų84.821%0.20650%0.5CS..PPolyproline II helixtrans-66.9153.3169.900000112.2D136G134-D136 PolarHBondContact O-N 3Å
135P65Low62.1Low122 Ų12284.1 Ų84.179%0.79250%0.5SS*.PPolyproline II helixtrans-65.1132.7174.427-32.7000110.2K137P135-K137 PolarHBondContact O-N 2.93Å
136D60.6Low62.6Low117 Ų11786.3 Ų86.363%0.62651%0.513SS*.PPolyproline II helixtrans-58.7123.3167.8-73-33.4000108.8G134 V138 H427G134-D136 PolarHBondContact O-N 3Å; D136-V138 VanDerWaalsContact C-N 3.29Å; D136-V138 PolarHBondContact O-N 3.33Å; D136-H427 IonicContact OD1-CE1 3.34Å; D136-H427 PolarHBondContact OD1-CE1 3Å; D136-H427 IonicContact OD1-CG 3.78Å; D136-H427 IonicContact OD1-ND1 3Å; D136-H427 PolarHBondContact OD1-ND1 3.47Å
137K57.5Low63.1Low134 Ų13485.3 Ų85.358%0.58351%0.509SS*.  trans-7291.3169.9-81-173.7179.21770108.8P135 D429P135-K137 PolarHBondContact O-N 2.93Å; K137-D429 IonicContact NZ-OD2 3.89Å; K137-D429 PolarHBondContact NZ-OD2 3.33Å
138V58.2Low63.2Low123 Ų12383.2 Ų83.275%0.74551%0.506SS*.  trans-76.1122.8164.9-175.40000107.6D136 S140D136-V138 VanDerWaalsContact C-N 3.29Å; D136-V138 PolarHBondContact O-N 3.33Å; V138-S140 PolarHBondContact O-N 3.29Å
139C59.7Low62.8Low60 Ų6084.4 Ų84.441%0.40552%0.517SS..  trans-62.5107.1169.7-730000109.4E141 C561C139-E141 PolarHBondContact O-N 3.41Å; C139-C561 WeakPolarHBondContact CA-SG 3.43Å; C139-C561 HydrophobicContact CB-CB 3.52Å; C139-C561 WeakPolarHBondContact CB-SG 3.01Å; C139-C561 WeakPolarHBondContact SG-CA 3.4Å; C139-C561 WeakPolarHBondContact SG-CB 3.27Å; C139-C561 CovalentContact SG-SG 2.03Å; C139-C561 PolarHBondContact SG-SG 3.17Å
140S55.9Low62.8Low104 Ų10488.2 Ų88.273%0.72753%0.534SS*.  trans-63.5120.1167.8-63.70000108.2V138 G142V138-S140 PolarHBondContact O-N 3.29Å; S140-G142 PolarHBondContact O-N 2.92Å
141E52.9Low63.2Low203 Ų20391.4 Ų91.495%0.94954%0.543SS*.  trans-65.876.4175.7-70.5-175.7157.100110.6C139C139-E141 PolarHBondContact O-N 3.41Å
142G53.7Low63.7Low29 Ų2988.2 Ų88.230%0.29952%0.523SS..  trans-95.6118.7172.200000110.6S140 S144 D145S140-G142 PolarHBondContact O-N 2.92Å; G142-S144 PolarHBondContact O-N 3.48Å; G142-S144 VanDerWaalsContact O-N 3.13Å; G142-D145 PolarHBondContact O-N 3.35Å
143S50.2Low64.3Low106 Ų10683.9 Ų83.974%0.74150%0.496SS*.Hα-helixtrans-59.3-22.1176.753.40000114.2D145S143-D145 PolarHBondContact O-N 3.5Å
144S54.1Low65.4Low88 Ų8885.5 Ų85.562%0.61549%0.488SS*.Hα-helixtrans-63.1-37.2178.4-4.90000113.1G142G142-S144 PolarHBondContact O-N 3.48Å; G142-S144 VanDerWaalsContact O-N 3.13Å
145D55Low66.8Low93 Ų9386.5 Ų86.550%0.49749%0.488SS..Hα-helixtrans-76.9-32.8-172.4-65.9-23000111G142 S143 F147 S148 A149 V562G142-D145 PolarHBondContact O-N 3.35Å; S143-D145 PolarHBondContact O-N 3.5Å; D145-F147 PolarHBondContact O-N 3.16Å; D145-S148 PolarHBondContact O-N 3.35Å; D145-A149 PolarHBondContact O-N 2.92Å; D145-V562 HydrophobicContact CB-CG2 3.42Å; D145-V562 VanDerWaalsContact CB-CG2 3.42Å
146T59.2Low68.2Low68 Ų6880.7 Ų80.742%0.41745%0.45SS..Hα-helixtrans-62.8-41.3178-42.30000112.8S148 H150 V562T146-S148 VanDerWaalsContact C-N 3.32Å; T146-S148 PolarHBondContact O-N 3.46Å; T146-H150 PolarHBondContact O-N 3.39Å; T146-H150 PolarHBondContact O-ND1 2.85Å; T146-V562 HydrophobicContact CG2-CG1 4.4Å
147F61.2Low69.9Low145 Ų14576.9 Ų76.964%0.63643%0.43SS*.Hα-helixtrans-65.9-36.9178.1-172.5-102.1000111.9D145 H150 R151D145-F147 PolarHBondContact O-N 3.16Å; F147-H150 PolarHBondContact O-N 3.13Å; F147-R151 WeakPolarHBondContact O-CB 3.48Å; F147-R151 PolarHBondContact O-N 3.44Å
148S61Low71.8Confident50 Ų5074.9 Ų74.935%0.3543%0.425SS..Hα-helixtrans-64.3-43.2-179.1-162.50000112.3D145 T146 H150 R151D145-S148 PolarHBondContact O-N 3.35Å; T146-S148 VanDerWaalsContact C-N 3.32Å; T146-S148 PolarHBondContact O-N 3.46Å; S148-H150 PolarHBondContact O-N 2.82Å; S148-R151 WeakPolarHBondContact O-CB 3.44Å; S148-R151 PolarHBondContact O-N 3.42Å
149A62.2Low73.6Confident30 Ų3069 Ų6925%0.24839%0.39CS..Hα-helixtrans-66-36.1178.500000113.1D145 V562D145-A149 PolarHBondContact O-N 2.92Å; A149-V562 HydrophobicContact CB-CB 4.48Å; A149-V562 HydrophobicContact CB-CG1 3.38Å
150H78.7Confident75.4Confident87 Ų8766.3 Ų66.340%0.40337%0.371SS..Hα-helixtrans-77.8-24.5178.1-68.581.4000112.7T146 F147 S148 E152 L153 L154T146-H150 PolarHBondContact O-N 3.39Å; T146-H150 PolarHBondContact O-ND1 2.85Å; F147-H150 PolarHBondContact O-N 3.13Å; S148-H150 PolarHBondContact O-N 2.82Å; H150-E152 PolarHBondContact O-N 3.49Å; H150-L153 PolarHBondContact O-N 3.04Å; H150-L154 VanDerWaalsContact O-CG 3.28Å; H150-L154 WeakPolarHBondContact O-CG 3.31Å; H150-L154 PolarHBondContact O-N 2.96Å
151R88.8Confident77.3Confident87 Ų8761.7 Ų61.733%0.32834%0.339SS..Hα-helixtrans-58.9-47.5179.9-176.3-176.868.9-156.63112.3T116 F147 S148 L154 L155T116-R151 PolarHBondContact O-NH2 2.66Å; T116-R151 VanDerWaalsContact O-NH2 3.1Å; F147-R151 WeakPolarHBondContact O-CB 3.48Å; F147-R151 PolarHBondContact O-N 3.44Å; S148-R151 WeakPolarHBondContact O-CB 3.44Å; S148-R151 PolarHBondContact O-N 3.42Å; R151-L154 PolarHBondContact O-N 3.48Å; R151-L155 HydrophobicContact CG-CD1 4.32Å; R151-L155 WeakPolarHBondContact O-CG 3.44Å; R151-L155 PolarHBondContact O-N 2.95Å
152E90Very high79.4Confident9 Ų955.9 Ų55.94%0.04231%0.311CS..Hα-helixtrans-68.2-38.1-176.9-51.6-50.2154.900111.6F58 P113 T116 A117 H150 L155 L156F58-E152 HydrophobicContact CD1-CB 3.53Å; F58-E152 HydrophobicContact CD1-CG 3.77Å; F58-E152 HydrophobicContact CE1-CB 3.79Å; F58-E152 HydrophobicContact CE1-CG 3.92Å; F58-E152 HydrophobicContact CG-CB 4.12Å; P113-E152 VanDerWaalsContact CA-OE2 3.28Å; P113-E152 WeakPolarHBondContact CA-OE2 3.24Å; P113-E152 HydrophobicContact CB-CB 4.41Å; T116-E152 PolarHBondContact OG1-OE1 3.49Å; T116-E152 PolarHBondContact OG1-OE2 3.16Å; A117-E152 HydrophobicContact CB-CG 4.47Å; H150-E152 PolarHBondContact O-N 3.49Å; E152-L155 PolarHBondContact O-N 3.2Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 2.91Å
153L91.5Very high81.5Confident17 Ų1754.5 Ų54.59%0.08930%0.297CS..Hα-helixtrans-60.8-46.4170.7-178.860.2000111L60 Q64 H150 L155 L156 L157L60-L153 HydrophobicContact CD1-CD1 4.1Å; L60-L153 HydrophobicContact CD2-CB 4.38Å; Q64-L153 HydrophobicContact CB-CD2 4.33Å; Q64-L153 HydrophobicContact CG-CD2 4.13Å; H150-L153 PolarHBondContact O-N 3.04Å; L153-L155 VanDerWaalsContact C-N 3.31Å; L153-L155 PolarHBondContact O-N 3.24Å; L153-L156 WeakPolarHBondContact O-CB 3.31Å; L153-L156 PolarHBondContact O-N 3.36Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L153-L157 HydrophobicContact CD1-CD2 4.4Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 4.15Å; L153-L157 HydrophobicContact CG-CG 4.34Å; L153-L157 VanDerWaalsContact O-CG 3.23Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 3.07Å
154L93.2Very high83.7Confident103 Ų10349.4 Ų49.454%0.53926%0.261SS..Hα-helixtrans-60-39.2178.4-73169.2000112.9H150 R151 L157 L158H150-L154 VanDerWaalsContact O-CG 3.28Å; H150-L154 WeakPolarHBondContact O-CG 3.31Å; H150-L154 PolarHBondContact O-N 2.96Å; R151-L154 PolarHBondContact O-N 3.48Å; L154-L157 PolarHBondContact O-N 2.7Å; L154-L158 WeakPolarHBondContact O-CB 3.44Å; L154-L158 PolarHBondContact O-N 3.03Å
155L94.6Very high85.8Confident42 Ų4247.7 Ų47.722%0.2225%0.245CC..Hα-helixtrans-66-41.1175.5-71.9170.2000111.8I112 P113 T116 R151 E152 L153 L158 S159I112-L155 HydrophobicContact CG2-CD1 4.12Å; I112-L155 HydrophobicContact CG2-CD2 4.27Å; P113-L155 HydrophobicContact CG-CB 3.73Å; T116-L155 HydrophobicContact CG2-CD1 4.41Å; R151-L155 HydrophobicContact CG-CD1 4.32Å; R151-L155 WeakPolarHBondContact O-CG 3.44Å; R151-L155 PolarHBondContact O-N 2.95Å; E152-L155 PolarHBondContact O-N 3.2Å; L153-L155 VanDerWaalsContact C-N 3.31Å; L153-L155 PolarHBondContact O-N 3.24Å; L155-L158 PolarHBondContact O-N 2.81Å; L155-S159 PolarHBondContact O-N 3.46Å
156L94.9Very high87.8Confident0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-60.7-45.3171.9-72.9170.4000111.4I54 F58 F68 P113 E152 L153 L158 S159 Q160 W240I54-L156 HydrophobicContact CG2-CD1 3.71Å; F58-L156 HydrophobicContact CD2-CD1 3.98Å; F58-L156 HydrophobicContact CE2-CD1 4.07Å; F68-L156 HydrophobicContact CD2-CB 3.66Å; F68-L156 HydrophobicContact CE2-CB 3.72Å; F68-L156 HydrophobicContact CE2-CD2 3.92Å; F68-L156 HydrophobicContact CE2-CG 4.34Å; F68-L156 HydrophobicContact CZ-CD2 4.2Å; P113-L156 HydrophobicContact CB-CD2 4.48Å; P113-L156 HydrophobicContact CB-CG 4.37Å; P113-L156 HydrophobicContact CG-CD2 3.87Å; P113-L156 HydrophobicContact CG-CG 3.82Å; E152-L156 WeakPolarHBondContact O-CG 3.37Å; E152-L156 PolarHBondContact O-N 2.91Å; L153-L156 WeakPolarHBondContact O-CB 3.31Å; L153-L156 PolarHBondContact O-N 3.36Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 3.36Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 PolarHBondContact O-OG 3.26Å; L156-Q160 PolarHBondContact O-N 3.06Å; L156-W240 HydrophobicContact CD2-CH2 4.17Å; L156-W240 HydrophobicContact CD2-CZ3 4.36Å
157L96.1Very high89.5Confident36 Ų3640.2 Ų40.219%0.18820%0.202CC..Hα-helixtrans-63.2-39.6177.4-62174.4000111.9I67 F68 T71 L153 L154 S159 Q160 A161I67-L157 HydrophobicContact CG2-CD2 3.98Å; F68-L157 HydrophobicContact CB-CD2 4.4Å; T71-L157 HydrophobicContact CG2-CB 4.31Å; T71-L157 HydrophobicContact CG2-CD2 4.3Å; T71-L157 WeakPolarHBondContact CG2-O 3.5Å; T71-L157 WeakPolarHBondContact OG1-CD2 3.43Å; L153-L157 HydrophobicContact CD1-CD2 4.4Å; L153-L157 HydrophobicContact CD1-CG 4.29Å; L153-L157 HydrophobicContact CG-CD1 4.15Å; L153-L157 HydrophobicContact CG-CG 4.34Å; L153-L157 VanDerWaalsContact O-CG 3.23Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 3.07Å; L154-L157 PolarHBondContact O-N 2.7Å; L157-S159 PolarHBondContact O-N 2.62Å; L157-Q160 PolarHBondContact O-N 3.18Å; L157-A161 PolarHBondContact O-N 3.34Å
158L96.3Very high91Very high92 Ų9233.5 Ų33.548%0.48217%0.174SC..Hα-helixtrans-61.5-43.5176.1-176.463.6000111.3L154 L155 L156 Q160 A161 F162L154-L158 WeakPolarHBondContact O-CB 3.44Å; L154-L158 PolarHBondContact O-N 3.03Å; L155-L158 PolarHBondContact O-N 2.81Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 3.36Å; L158-Q160 VanDerWaalsContact C-N 3.34Å; L158-Q160 PolarHBondContact O-N 2.82Å; L158-A161 VanDerWaalsContact O-CB 3.32Å; L158-A161 WeakPolarHBondContact O-CB 3.41Å; L158-A161 PolarHBondContact O-N 3.39Å; L158-F162 HydrophobicContact CD1-CD2 4.4Å; L158-F162 HydrophobicContact CD1-CE2 4.01Å; L158-F162 HydrophobicContact CG-CE2 4.31Å; L158-F162 WeakPolarHBondContact O-CD2 3.47Å; L158-F162 PolarHBondContact O-N 3.28Å
159S96.7Very high92.6Very high1 Ų131.6 Ų31.61%0.00716%0.16CC..Hα-helixtrans-59.9-43.5176.373.90000112.1V110 L155 L156 L157 A161 F162 V163V110-S159 WeakPolarHBondContact CG2-OG 3.46Å; L155-S159 PolarHBondContact O-N 3.46Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 PolarHBondContact O-OG 3.26Å; L157-S159 PolarHBondContact O-N 2.62Å; S159-A161 VanDerWaalsContact C-N 3.29Å; S159-A161 PolarHBondContact O-N 3.05Å; S159-F162 PolarHBondContact O-N 3.35Å; S159-V163 WeakPolarHBondContact O-CG2 3.4Å; S159-V163 PolarHBondContact O-N 3.39Å; S159-V163 VanDerWaalsContact O-N 3.12Å
160Q96.7Very high94.1Very high2 Ų230.2 Ų30.21%0.00915%0.148CC..Hα-helixtrans-67.3-29.7177.3-67.3-63.6-18.700112.7F68 T71 L156 L157 L158 V163 G164F68-Q160 HydrophobicContact CD2-CG 3.57Å; F68-Q160 HydrophobicContact CE2-CG 3.31Å; F68-Q160 VanDerWaalsContact CE2-NE2 3.35Å; F68-Q160 HydrophobicContact CZ-CG 4.11Å; F68-Q160 VanDerWaalsContact CZ-NE2 3.26Å; T71-Q160 HydrophobicContact CG2-CB 4.05Å; L156-Q160 PolarHBondContact O-N 3.06Å; L157-Q160 PolarHBondContact O-N 3.18Å; L158-Q160 VanDerWaalsContact C-N 3.34Å; L158-Q160 PolarHBondContact O-N 2.82Å; Q160-V163 PolarHBondContact O-N 2.89Å; Q160-G164 PolarHBondContact O-N 3.3Å
161A97Very high94.5Very high8 Ų827.2 Ų27.27%0.06613%0.134CC..Hα-helixtrans-61.4-46.7173.200000111.9F75 L157 L158 S159 G164 I165F75-A161 HydrophobicContact CD1-CB 4.01Å; F75-A161 HydrophobicContact CD2-CB 3.43Å; F75-A161 VanDerWaalsContact CD2-CB 3.43Å; F75-A161 HydrophobicContact CE1-CB 3.88Å; F75-A161 HydrophobicContact CE2-CB 3.28Å; F75-A161 HydrophobicContact CG-CB 3.8Å; F75-A161 HydrophobicContact CZ-CB 3.51Å; L157-A161 PolarHBondContact O-N 3.34Å; L158-A161 VanDerWaalsContact O-CB 3.32Å; L158-A161 WeakPolarHBondContact O-CB 3.41Å; L158-A161 PolarHBondContact O-N 3.39Å; S159-A161 VanDerWaalsContact C-N 3.29Å; S159-A161 PolarHBondContact O-N 3.05Å; A161-G164 PolarHBondContact O-N 2.9Å; A161-I165 VanDerWaalsContact O-CG1 3.3Å; A161-I165 WeakPolarHBondContact O-CG1 3.4Å; A161-I165 PolarHBondContact O-N 3.39Å
162F97Very high94.5Very high80 Ų8023.2 Ų23.235%0.35112%0.12SC..Hα-helixtrans-61.8-47.7175.3-83.7-104.1000111.2I102 I105 L109 L158 S159 G164 I165 G166I102-F162 HydrophobicContact CG2-CB 4.36Å; I102-F162 HydrophobicContact CG2-CD1 4.11Å; I102-F162 VanDerWaalsContact CG2-O 3.25Å; I102-F162 WeakPolarHBondContact CG2-O 3.28Å; I105-F162 HydrophobicContact CG2-CD1 4.37Å; L109-F162 HydrophobicContact CD1-CD1 4.35Å; L109-F162 HydrophobicContact CD1-CD2 3.95Å; L109-F162 HydrophobicContact CD1-CE2 4.18Å; L109-F162 HydrophobicContact CD1-CG 4.04Å; L109-F162 HydrophobicContact CD1-CZ 4.49Å; L158-F162 HydrophobicContact CD1-CD2 4.4Å; L158-F162 HydrophobicContact CD1-CE2 4.01Å; L158-F162 HydrophobicContact CG-CE2 4.31Å; L158-F162 WeakPolarHBondContact O-CD2 3.47Å; L158-F162 PolarHBondContact O-N 3.28Å; S159-F162 PolarHBondContact O-N 3.35Å; F162-G164 VanDerWaalsContact C-N 3.31Å; F162-G164 PolarHBondContact O-N 3.37Å; F162-I165 PolarHBondContact O-N 3.27Å; F162-G166 PolarHBondContact O-N 2.96Å
163V97.6Very high94.6Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-59.1-43.5178.3-179.30000111I42 V43 Y72 V103 S159 Q160 G166 A167I42-V163 HydrophobicContact CG2-CG1 4.36Å; V43-V163 HydrophobicContact CG2-CG1 3.77Å; Y72-V163 HydrophobicContact CD2-CB 4.23Å; Y72-V163 HydrophobicContact CD2-CG1 3.73Å; Y72-V163 HydrophobicContact CE2-CG1 3.91Å; V103-V163 HydrophobicContact CG1-CG1 4.36Å; S159-V163 WeakPolarHBondContact O-CG2 3.4Å; S159-V163 PolarHBondContact O-N 3.39Å; S159-V163 VanDerWaalsContact O-N 3.12Å; Q160-V163 PolarHBondContact O-N 2.89Å; V163-G166 PolarHBondContact O-N 2.94Å; V163-A167 WeakPolarHBondContact O-CB 3.41Å; V163-A167 PolarHBondContact O-N 3.28Å
164G96.8Very high94.5Very high0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-64.2-43.6179.100000113.5Y72 V76 Q160 A161 F162 G166 S168Y72-G164 WeakPolarHBondContact O-CA 3.43Å; V76-G164 VanDerWaalsContact CG2-O 3.24Å; V76-G164 WeakPolarHBondContact CG2-O 3.43Å; Q160-G164 PolarHBondContact O-N 3.3Å; A161-G164 PolarHBondContact O-N 2.9Å; F162-G164 VanDerWaalsContact C-N 3.31Å; F162-G164 PolarHBondContact O-N 3.37Å; G164-G166 PolarHBondContact O-N 3Å; G164-S168 PolarHBondContact O-OG 2.89Å
165I96.9Very high94.2Very high52 Ų5217.8 Ų17.827%0.2679%0.091SC..Hα-helixtrans-60.2-49.3175.6-70.1170000110.5F75 M79 I102 A161 F162F75-I165 HydrophobicContact CB-CG1 4.15Å; F75-I165 HydrophobicContact CD1-CD1 4.02Å; F75-I165 HydrophobicContact CD1-CG1 4.01Å; F75-I165 HydrophobicContact CG-CG1 4.47Å; M79-I165 HydrophobicContact CE-CB 4.37Å; M79-I165 HydrophobicContact CE-CD1 4.05Å; M79-I165 HydrophobicContact CE-CG1 3.8Å; M79-I165 HydrophobicContact CE-CG2 3.8Å; M79-I165 HydrophobicContact CG-CB 4.13Å; M79-I165 HydrophobicContact CG-CG1 4Å; M79-I165 HydrophobicContact CG-CG2 3.99Å; M79-I165 HydrophobicContact SD-CG2 4.23Å; I102-I165 HydrophobicContact CD1-CG2 4.33Å; I102-I165 HydrophobicContact CG2-CG2 4.47Å; A161-I165 VanDerWaalsContact O-CG1 3.3Å; A161-I165 WeakPolarHBondContact O-CG1 3.4Å; A161-I165 PolarHBondContact O-N 3.39Å; F162-I165 PolarHBondContact O-N 3.27Å
166G96.6Very high93.8Very high1 Ų116.1 Ų16.11%0.018%0.083CC..Hα-helixtrans-69.6-34.8-175.700000114.4G99 V103 F162 V163 G164 S168 P169G99-G166 CarbonylContact C-O 3.58Å; G99-G166 WeakPolarHBondContact CA-O 3.49Å; G99-G166 CarbonylContact O-C 3.53Å; G99-G166 WeakPolarHBondContact O-CA 3.47Å; V103-G166 VanDerWaalsContact CG2-C 3.43Å; F162-G166 PolarHBondContact O-N 2.96Å; V163-G166 PolarHBondContact O-N 2.94Å; G164-G166 PolarHBondContact O-N 3Å; G166-S168 VanDerWaalsContact C-N 3.31Å; G166-S168 PolarHBondContact O-N 3.49Å; G166-P169 VanDerWaalsContact O-CD 3.24Å; G166-P169 WeakPolarHBondContact O-CD 3.11Å
167A95.6Very high93.4Very high2 Ų216.2 Ų16.22%0.0178%0.083CC..Hα-helixtrans-72.3-21.9-175.200000114.7Q39 Y72 V76 V103 V163 L170Q39-A167 HydrophobicContact CG-CB 4.3Å; Q39-A167 VanDerWaalsContact NE2-CB 3.28Å; Q39-A167 PolarHBondContact OE1-O 2.69Å; Y72-A167 HydrophobicContact CE2-CB 3.38Å; Y72-A167 WeakPolarHBondContact OH-CB 3.29Å; V76-A167 HydrophobicContact CG2-CB 4.48Å; V103-A167 HydrophobicContact CG2-CB 4.04Å; V103-A167 VanDerWaalsContact CG2-N 3.33Å; V163-A167 WeakPolarHBondContact O-CB 3.41Å; V163-A167 PolarHBondContact O-N 3.28Å; A167-L170 PolarHBondContact O-N 2.74Å
168S93.7Very high93Very high5 Ų514.6 Ų14.64%0.0358%0.075CC..Hα-helixtrans-57.3-44.8-169.7-61.40000114.6V76 M79 G164 G166 L170 T172V76-S168 VanDerWaalsContact CA-OG 3.28Å; V76-S168 WeakPolarHBondContact CA-OG 3.27Å; V76-S168 PolarHBondContact O-OG 3.18Å; M79-S168 WeakPolarHBondContact CB-OG 3.5Å; G164-S168 PolarHBondContact O-OG 2.89Å; G166-S168 VanDerWaalsContact C-N 3.31Å; G166-S168 PolarHBondContact O-N 3.49Å; S168-L170 VanDerWaalsContact C-N 3.31Å; S168-L170 PolarHBondContact O-N 3.23Å; S168-T172 VanDerWaalsContact O-CG2 3.3Å; S168-T172 WeakPolarHBondContact O-CG2 3.28Å; S168-T172 PolarHBondContact O-OG1 3.37Å
169P93.2Very high92.3Very high9 Ų910.7 Ų10.76%0.0586%0.055CC..Hα-helixtrans-69.1-25-177.4-19.834.5000113.9L83 C95 I96 G166 T172 Y173 G174L83-P169 HydrophobicContact CD1-CB 4.47Å; L83-P169 HydrophobicContact CD1-CG 4.05Å; L83-P169 HydrophobicContact CD2-CG 4.16Å; C95-P169 HydrophobicContact CB-CB 4.34Å; I96-P169 HydrophobicContact CG1-CB 4.05Å; G166-P169 VanDerWaalsContact O-CD 3.24Å; G166-P169 WeakPolarHBondContact O-CD 3.11Å; P169-T172 VanDerWaalsContact CA-OG1 3.26Å; P169-T172 WeakPolarHBondContact CA-OG1 3.34Å; P169-T172 PolarHBondContact O-OG1 2.82Å; P169-Y173 HydrophobicContact CB-CD2 4.12Å; P169-Y173 WeakPolarHBondContact O-CA 3.47Å; P169-Y173 WeakPolarHBondContact O-CB 3.19Å; P169-Y173 PolarHBondContact O-N 3.09Å; P169-G174 PolarHBondContact O-N 3.43Å
170L93.8Very high91.7Very high1 Ų113.1 Ų13.11%0.0057%0.066CC..Hα-helixtrans-67.3-51.8-168.5-175.164.6000112.5L32 N35 A36 Q39 I96 M100 A167 S168 G174 Y194L32-L170 HydrophobicContact CD1-CD1 3.63Å; L32-L170 HydrophobicContact CG-CD1 4.49Å; N35-L170 HydrophobicContact CB-CD1 4.36Å; N35-L170 HydrophobicContact CB-CD2 4.5Å; A36-L170 HydrophobicContact CB-CD2 4.1Å; Q39-L170 HydrophobicContact CB-CD2 3.9Å; Q39-L170 VanDerWaalsContact OE1-CB 3.28Å; I96-L170 HydrophobicContact CG2-CB 4.36Å; I96-L170 HydrophobicContact CG2-CD1 3.41Å; I96-L170 VanDerWaalsContact CG2-CD1 3.41Å; I96-L170 HydrophobicContact CG2-CG 4.48Å; M100-L170 HydrophobicContact SD-CD2 3.75Å; A167-L170 PolarHBondContact O-N 2.74Å; S168-L170 VanDerWaalsContact C-N 3.31Å; S168-L170 PolarHBondContact O-N 3.23Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 3.35Å; L170-Y194 WeakPolarHBondContact CG-OH 3.47Å; L170-Y194 PolarHBondContact O-OH 3.09Å; L170-Y194 VanDerWaalsContact O-OH 3.14Å
171F87.8Confident91.2Very high24 Ų2413.2 Ų13.211%0.1057%0.066CC..Hα-helixtrans-85.5-9.7179-72.9-79.7000113.8A36 Q39 I175 Y194 S198 W531A36-F171 HydrophobicContact CB-CZ 4.17Å; Q39-F171 HydrophobicContact CG-CE2 4.38Å; F171-I175 WeakPolarHBondContact O-CD1 3.45Å; F171-I175 WeakPolarHBondContact O-CG1 3.14Å; F171-Y194 AromaticContact CD1-CE1 3.78Å; F171-Y194 HydrophobicContact CD1-CE1 3.78Å; F171-Y194 AromaticContact CE1-CE1 3.77Å; F171-Y194 HydrophobicContact CE1-CE1 3.77Å; F171-S198 VanDerWaalsContact CZ-OG 3.25Å; F171-S198 WeakPolarHBondContact CZ-OG 3.42Å; F171-W531 HydrophobicContact CB-CZ2 4.14Å
172T89.3Confident90.6Very high4 Ų413 Ų133%0.0256%0.064CC..Hα-helixtrans-90.4-67175.552.30000110.3L80 S168 P169 T176L80-T172 HydrophobicContact CD2-CG2 3.28Å; S168-T172 VanDerWaalsContact O-CG2 3.3Å; S168-T172 WeakPolarHBondContact O-CG2 3.28Å; S168-T172 PolarHBondContact O-OG1 3.37Å; P169-T172 VanDerWaalsContact CA-OG1 3.26Å; P169-T172 WeakPolarHBondContact CA-OG1 3.34Å; P169-T172 PolarHBondContact O-OG1 2.82Å; T172-T176 PolarHBondContact O-OG1 3.48Å
173Y90.6Very high89.7Confident2 Ų29.6 Ų9.61%0.0085%0.05CC..Hα-helixtrans-75.5-30178.2-66.9-21.1000113.1L83 A87 V90 K92 C95 P169 I175 T176 C177L83-Y173 WeakPolarHBondContact CA-OH 3.41Å; L83-Y173 HydrophobicContact CB-CE1 4.5Å; L83-Y173 HydrophobicContact CD2-CD2 4.37Å; L83-Y173 HydrophobicContact CD2-CE2 3.53Å; L83-Y173 PolarHBondContact O-OH 3.44Å; A87-Y173 HydrophobicContact CB-CE1 4.15Å; V90-Y173 HydrophobicContact CG2-CE2 4Å; K92-Y173 HydrophobicContact CB-CD2 4.01Å; K92-Y173 HydrophobicContact CB-CG 4.04Å; K92-Y173 HydrophobicContact CD-CD1 4.27Å; K92-Y173 HydrophobicContact CD-CG 4.38Å; K92-Y173 HydrophobicContact CG-CD1 4.15Å; K92-Y173 HydrophobicContact CG-CD2 4.12Å; K92-Y173 HydrophobicContact CG-CE1 4.45Å; K92-Y173 HydrophobicContact CG-CE2 4.4Å; K92-Y173 HydrophobicContact CG-CG 3.98Å; C95-Y173 HydrophobicContact CB-CD2 4.03Å; C95-Y173 HydrophobicContact CB-CE2 3.97Å; P169-Y173 HydrophobicContact CB-CD2 4.12Å; P169-Y173 WeakPolarHBondContact O-CA 3.47Å; P169-Y173 WeakPolarHBondContact O-CB 3.19Å; P169-Y173 PolarHBondContact O-N 3.09Å; Y173-I175 PolarHBondContact O-N 3.36Å; Y173-T176 WeakPolarHBondContact CA-OG1 3.43Å; Y173-T176 PolarHBondContact O-N 2.74Å; Y173-T176 PolarHBondContact O-OG1 2.87Å; Y173-C177 WeakPolarHBondContact O-CB 3.37Å; Y173-C177 PolarHBondContact O-N 3Å; Y173-C177 PolarHBondContact O-SG 2.77Å
174G91.1Very high88.5Confident0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-63.3-44.1179.400000112P169 L170 T176 C177 L178P169-G174 PolarHBondContact O-N 3.43Å; L170-G174 WeakPolarHBondContact O-CA 3.48Å; L170-G174 PolarHBondContact O-N 3.35Å; G174-T176 VanDerWaalsContact C-N 3.32Å; G174-T176 PolarHBondContact O-N 2.87Å; G174-C177 PolarHBondContact O-N 2.97Å; G174-L178 VanDerWaalsContact O-CG 3.32Å; G174-L178 WeakPolarHBondContact O-CG 3.22Å; G174-L178 PolarHBondContact O-N 2.93Å
175I86.4Confident87.4Confident13 Ų1317.3 Ų17.37%0.0678%0.084CC..Hα-helixtrans-61-43.3176.2-65.7-178.8000110.7F171 Y173 L178 D179 L191 Y194 M195 L515F171-I175 WeakPolarHBondContact O-CD1 3.45Å; F171-I175 WeakPolarHBondContact O-CG1 3.14Å; Y173-I175 PolarHBondContact O-N 3.36Å; I175-L178 PolarHBondContact O-N 2.7Å; I175-D179 PolarHBondContact O-N 2.91Å; I175-L191 HydrophobicContact CB-CD1 4.38Å; I175-L191 HydrophobicContact CD1-CD1 4.28Å; I175-L191 HydrophobicContact CG1-CD1 3.96Å; I175-L191 HydrophobicContact CG2-CD1 3.87Å; I175-Y194 HydrophobicContact CG1-CD1 4.35Å; I175-Y194 HydrophobicContact CG1-CE1 3.96Å; I175-M195 HydrophobicContact CD1-CE 3.54Å; I175-M195 HydrophobicContact CG1-CE 4.23Å; I175-L515 HydrophobicContact CG2-CD1 4.16Å
176T85.2Confident86.5Confident7 Ų719.2 Ų19.24%0.0439%0.088CC..Hα-helixtrans-76.6-33.7-177.462.80000112.5T172 Y173 G174 L178 D179 E180 D524T172-T176 PolarHBondContact O-OG1 3.48Å; Y173-T176 WeakPolarHBondContact CA-OG1 3.43Å; Y173-T176 PolarHBondContact O-N 2.74Å; Y173-T176 PolarHBondContact O-OG1 2.87Å; G174-T176 VanDerWaalsContact C-N 3.32Å; G174-T176 PolarHBondContact O-N 2.87Å; T176-L178 VanDerWaalsContact C-N 3.3Å; T176-L178 PolarHBondContact O-N 3.44Å; T176-D179 CarbonylContact O-C 3.57Å; T176-D179 PolarHBondContact O-N 3.4Å; T176-E180 VanDerWaalsContact O-CB 3.3Å; T176-E180 WeakPolarHBondContact O-CB 3.31Å; T176-E180 VanDerWaalsContact O-CG 3.3Å; T176-E180 WeakPolarHBondContact O-CG 3.36Å; T176-E180 PolarHBondContact O-N 3.4Å; T176-D524 WeakPolarHBondContact CB-OD1 3.23Å; T176-D524 WeakPolarHBondContact CG2-OD1 3.34Å; T176-D524 PolarHBondContact OG1-OD1 3.29Å
177C87.7Confident85.6Confident1 Ų120 Ų201%0.0079%0.092CC..Hα-helixtrans-58.7-40168.6-770000111.9F28 Y173 G174 D179 E180 F181F28-C177 HydrophobicContact CE1-CB 4.33Å; F28-C177 HydrophobicContact CZ-CB 3.92Å; Y173-C177 WeakPolarHBondContact O-CB 3.37Å; Y173-C177 PolarHBondContact O-N 3Å; Y173-C177 PolarHBondContact O-SG 2.77Å; G174-C177 PolarHBondContact O-N 2.97Å; C177-D179 VanDerWaalsContact C-N 3.33Å; C177-D179 PolarHBondContact O-N 3.04Å; C177-E180 PolarHBondContact O-N 3.32Å; C177-E180 VanDerWaalsContact O-N 3.17Å; C177-F181 HydrophobicContact CB-CD2 4.17Å; C177-F181 HydrophobicContact CB-CE2 3.8Å; C177-F181 HydrophobicContact CB-CZ 4.36Å; C177-F181 WeakPolarHBondContact O-CB 3.45Å; C177-F181 VanDerWaalsContact O-CD2 3.22Å; C177-F181 WeakPolarHBondContact O-CD2 3.5Å; C177-F181 WeakPolarHBondContact O-CG 3.45Å; C177-F181 PolarHBondContact O-N 2.99Å
178L87.7Confident84.6Confident3 Ų320.4 Ų20.42%0.01610%0.097CC..Hα-helixtrans-65.2-37.3177.6-71.8176000112.8F25 F28 M29 L32 G174 I175 T176 Y194F25-L178 HydrophobicContact CE2-CD2 4.21Å; F25-L178 HydrophobicContact CZ-CD2 4.12Å; F28-L178 HydrophobicContact CE1-CD2 4.09Å; M29-L178 HydrophobicContact SD-CD1 4.02Å; M29-L178 HydrophobicContact SD-CD2 3.26Å; M29-L178 WeakPolarHBondContact SD-CD2 3.49Å; M29-L178 HydrophobicContact SD-CG 4.29Å; L32-L178 HydrophobicContact CD2-CD1 4.13Å; L32-L178 HydrophobicContact CD2-CD2 3.93Å; L32-L178 HydrophobicContact CD2-CG 3.84Å; G174-L178 VanDerWaalsContact O-CG 3.32Å; G174-L178 WeakPolarHBondContact O-CG 3.22Å; G174-L178 PolarHBondContact O-N 2.93Å; I175-L178 PolarHBondContact O-N 2.7Å; T176-L178 VanDerWaalsContact C-N 3.3Å; T176-L178 PolarHBondContact O-N 3.44Å; L178-Y194 HydrophobicContact CD1-CD1 4.15Å; L178-Y194 HydrophobicContact CD1-CD2 3.96Å; L178-Y194 HydrophobicContact CD1-CG 3.66Å
179D81.7Confident84Confident10 Ų1025.7 Ų25.75%0.05312%0.116CC..Hα-helixtrans-76.5-26.4172.2-171.656.8000112.3I175 T176 C177 H184 T187 K272 H520 R523I175-D179 PolarHBondContact O-N 2.91Å; T176-D179 CarbonylContact O-C 3.57Å; T176-D179 PolarHBondContact O-N 3.4Å; C177-D179 VanDerWaalsContact C-N 3.33Å; C177-D179 PolarHBondContact O-N 3.04Å; D179-H184 IonicContact OD1-CE1 2.69Å; D179-H184 PolarHBondContact OD1-CE1 3.21Å; D179-H184 VanDerWaalsContact OD1-CE1 3.29Å; D179-H184 IonicContact OD1-ND1 3.01Å; D179-H184 PolarHBondContact OD1-ND1 3.46Å; D179-H184 IonicContact OD2-CE1 3Å; D179-T187 HydrophobicContact CB-CG2 3.9Å; D179-T187 WeakPolarHBondContact OD1-CG2 3.34Å; D179-T187 PolarHBondContact OD1-OG1 2.94Å; D179-K272 WeakPolarHBondContact O-CE 3.37Å; D179-K272 PolarHBondContact O-NZ 2.93Å; D179-H520 IonicContact OD2-CD2 2.76Å; D179-H520 IonicContact OD2-NE2 2.91Å; D179-R523 IonicContact OD1-NH1 3.73Å; D179-R523 IonicContact OD2-CZ 2.96Å; D179-R523 IonicContact OD2-NH1 3.51Å; D179-R523 PolarHBondContact OD2-NH1 3.15Å
180E83.7Confident83.6Confident52 Ų5225.6 Ų25.624%0.24312%0.115CC..Hα-helixtrans-74.6-33.8177.2-81.9-177.8178.600113.6K92 T176 C177 T268 K272K92-E180 VanDerWaalsContact NZ-CD 3.28Å; K92-E180 IonicContact NZ-OE1 3.2Å; K92-E180 PolarHBondContact NZ-OE1 3.38Å; K92-E180 IonicContact NZ-OE2 3.21Å; K92-E180 PolarHBondContact NZ-OE2 2.8Å; T176-E180 VanDerWaalsContact O-CB 3.3Å; T176-E180 WeakPolarHBondContact O-CB 3.31Å; T176-E180 VanDerWaalsContact O-CG 3.3Å; T176-E180 WeakPolarHBondContact O-CG 3.36Å; T176-E180 PolarHBondContact O-N 3.4Å; C177-E180 PolarHBondContact O-N 3.32Å; C177-E180 VanDerWaalsContact O-N 3.17Å; E180-T268 WeakPolarHBondContact O-CG2 3.4Å; E180-K272 VanDerWaalsContact CA-NZ 3.26Å; E180-K272 WeakPolarHBondContact O-CE 3.15Å; E180-K272 PolarHBondContact O-NZ 3.1Å
181F86.2Confident83.2Confident4 Ų425.9 Ų25.92%0.01812%0.117CC..Hα-helixtrans-100.5-9.3-171.6-58.8-28.6000115.3F25 F28 V93 C177 L265 T268F25-F181 HydrophobicContact CD2-CB 3.82Å; F25-F181 HydrophobicContact CE2-CB 3.99Å; F28-F181 AromaticContact CD1-CD2 3.91Å; F28-F181 HydrophobicContact CD1-CD2 3.91Å; F28-F181 HydrophobicContact CD1-CE2 4.38Å; F28-F181 AromaticContact CE1-CD2 3.52Å; F28-F181 HydrophobicContact CE1-CD2 3.52Å; F28-F181 AromaticContact CE1-CE2 3.82Å; F28-F181 HydrophobicContact CE1-CE2 3.82Å; F28-F181 HydrophobicContact CE2-CE2 4.08Å; F28-F181 AromaticContact CZ-CD2 3.88Å; F28-F181 HydrophobicContact CZ-CD2 3.88Å; F28-F181 AromaticContact CZ-CE2 3.65Å; F28-F181 HydrophobicContact CZ-CE2 3.65Å; V93-F181 HydrophobicContact CG2-CE2 3.87Å; V93-F181 HydrophobicContact CG2-CZ 3.9Å; C177-F181 HydrophobicContact CB-CD2 4.17Å; C177-F181 HydrophobicContact CB-CE2 3.8Å; C177-F181 HydrophobicContact CB-CZ 4.36Å; C177-F181 WeakPolarHBondContact O-CB 3.45Å; C177-F181 VanDerWaalsContact O-CD2 3.22Å; C177-F181 WeakPolarHBondContact O-CD2 3.5Å; C177-F181 WeakPolarHBondContact O-CG 3.45Å; C177-F181 PolarHBondContact O-N 2.99Å; F181-L265 HydrophobicContact CB-CD1 3.9Å; F181-L265 HydrophobicContact CB-CG 4.43Å; F181-L265 HydrophobicContact CD1-CG 4.35Å; F181-L265 HydrophobicContact CD2-CD1 3.54Å; F181-L265 HydrophobicContact CD2-CG 3.82Å; F181-L265 HydrophobicContact CE2-CD1 4.2Å; F181-L265 HydrophobicContact CE2-CG 4.1Å; F181-L265 HydrophobicContact CG-CD1 3.81Å; F181-L265 HydrophobicContact CG-CG 3.96Å; F181-L265 HydrophobicContact CZ-CG 4.49Å; F181-T268 HydrophobicContact CD1-CG2 4.44Å
182D84.4Confident83Confident4 Ų425.1 Ų25.12%0.02111%0.114CC..SBendtrans-129.4168.4174.7-159.513.7000112.4F25 R186 N190 K272F25-D182 HydrophobicContact CD2-CB 4.27Å; F25-D182 HydrophobicContact CE1-CB 4.21Å; F25-D182 HydrophobicContact CE2-CB 3.74Å; F25-D182 HydrophobicContact CZ-CB 3.71Å; D182-R186 IonicContact OD1-CZ 3.38Å; D182-R186 VanDerWaalsContact OD1-CZ 3.27Å; D182-R186 IonicContact OD1-NE 3.99Å; D182-R186 PolarHBondContact OD1-NE 3.32Å; D182-R186 IonicContact OD1-NH2 3.34Å; D182-R186 PolarHBondContact OD1-NH2 2.88Å; D182-R186 VanDerWaalsContact OD2-CB 3.23Å; D182-R186 WeakPolarHBondContact OD2-CB 3.49Å; D182-R186 IonicContact OD2-CZ 3.82Å; D182-R186 IonicContact OD2-NE 3.85Å; D182-R186 PolarHBondContact OD2-NE 3.46Å; D182-N190 PolarHBondContact OD2-ND2 3.49Å; D182-K272 WeakPolarHBondContact O-CE 3.38Å
183S77.9Confident83Confident8 Ų828.8 Ų28.86%0.05613%0.134CC..  trans-67.6144.6177.7175.50000112.4K185 R186 T187 R271 D275S183-K185 PolarHBondContact O-N 3.44Å; S183-K185 VanDerWaalsContact O-N 3.13Å; S183-K185 PolarHBondContact OG-N 2.66Å; S183-R186 PolarHBondContact O-N 2.94Å; S183-T187 PolarHBondContact O-N 3.41Å; S183-T187 VanDerWaalsContact O-N 3.08Å; S183-T187 PolarHBondContact O-OG1 3.34Å; S183-R271 VanDerWaalsContact CB-O 3.25Å; S183-R271 WeakPolarHBondContact CB-O 3.43Å; S183-D275 PolarHBondContact OG-OD1 3.26Å
184H72Confident83Confident26 Ų2628.7 Ų28.712%0.1213%0.133CC..Hα-helixtrans-53-33.2174.1-72.9-26.1000114.6D179 R186 T187 D275 H277 H520 R523D179-H184 IonicContact OD1-CE1 2.69Å; D179-H184 PolarHBondContact OD1-CE1 3.21Å; D179-H184 VanDerWaalsContact OD1-CE1 3.29Å; D179-H184 IonicContact OD1-ND1 3.01Å; D179-H184 PolarHBondContact OD1-ND1 3.46Å; D179-H184 IonicContact OD2-CE1 3Å; H184-R186 PolarHBondContact O-N 3.35Å; H184-T187 WeakPolarHBondContact CA-OG1 3.47Å; H184-T187 PolarHBondContact O-N 3.26Å; H184-D275 HydrophobicContact CB-CB 4.31Å; H184-D275 VanDerWaalsContact CD2-CB 3.48Å; H184-D275 WeakPolarHBondContact CD2-CB 3.35Å; H184-D275 IonicContact CD2-OD2 2.89Å; H184-D275 PolarHBondContact CD2-OD2 3.46Å; H184-D275 IonicContact CG-OD2 2.96Å; H184-D275 PolarHBondContact N-OD1 3.37Å; H184-D275 PolarHBondContact N-OD2 2.9Å; H184-D275 VanDerWaalsContact N-OD2 3.11Å; H184-D275 IonicContact ND1-OD2 2.63Å; H184-D275 IonicContact NE2-OD2 2.63Å; H184-H277 AromaticContact NE2-CE1 3.96Å; H184-H520 AromaticContact CE1-CD2 3.46Å; H184-H520 PolarHBondContact CE1-CD2 2.61Å; H184-H520 VanDerWaalsContact CE1-CD2 3.46Å; H184-H520 AromaticContact NE2-CD2 3.59Å; H184-R523 PolarHBondContact CE1-NH1 3.32Å
185K74Confident82.8Confident136 Ų13629.7 Ų29.759%0.59114%0.138SC*.Hα-helixtrans-61.9-24.4176.4-65.2-175.7-179.6-179.40112.8S183S183-K185 PolarHBondContact O-N 3.44Å; S183-K185 VanDerWaalsContact O-N 3.13Å; S183-K185 PolarHBondContact OG-N 2.66Å
186R79Confident82.9Confident91 Ų9130.3 Ų30.334%0.34314%0.141SC..Hα-helixtrans-107.8-16-178.7-68.4-170.6-68.1-99.31.8113.4D182 S183 H184 G188 R189 N190D182-R186 IonicContact OD1-CZ 3.38Å; D182-R186 VanDerWaalsContact OD1-CZ 3.27Å; D182-R186 IonicContact OD1-NE 3.99Å; D182-R186 PolarHBondContact OD1-NE 3.32Å; D182-R186 IonicContact OD1-NH2 3.34Å; D182-R186 PolarHBondContact OD1-NH2 2.88Å; D182-R186 VanDerWaalsContact OD2-CB 3.23Å; D182-R186 WeakPolarHBondContact OD2-CB 3.49Å; D182-R186 IonicContact OD2-CZ 3.82Å; D182-R186 IonicContact OD2-NE 3.85Å; D182-R186 PolarHBondContact OD2-NE 3.46Å; S183-R186 PolarHBondContact O-N 2.94Å; H184-R186 PolarHBondContact O-N 3.35Å; R186-G188 VanDerWaalsContact C-N 3.29Å; R186-G188 PolarHBondContact O-N 3.15Å; R186-R189 VanDerWaalsContact CD-NH2 3.31Å; R186-R189 WeakPolarHBondContact O-CB 2.94Å; R186-R189 PolarHBondContact O-N 3.35Å; R186-N190 PolarHBondContact O-N 3.37Å
187T77Confident83.3Confident18 Ų1830.9 Ų30.911%0.1115%0.146CC..Hα-helixtrans-48.4-48.5179.2-59.10000112.1D179 S183 H184 R189 N190 L191D179-T187 HydrophobicContact CB-CG2 3.9Å; D179-T187 WeakPolarHBondContact OD1-CG2 3.34Å; D179-T187 PolarHBondContact OD1-OG1 2.94Å; S183-T187 PolarHBondContact O-N 3.41Å; S183-T187 VanDerWaalsContact O-N 3.08Å; S183-T187 PolarHBondContact O-OG1 3.34Å; H184-T187 WeakPolarHBondContact CA-OG1 3.47Å; H184-T187 PolarHBondContact O-N 3.26Å; T187-R189 VanDerWaalsContact C-N 3.3Å; T187-R189 PolarHBondContact O-N 2.85Å; T187-N190 PolarHBondContact O-N 3.14Å; T187-L191 WeakPolarHBondContact O-CB 3.16Å; T187-L191 PolarHBondContact O-N 2.98Å
188G74.7Confident83.5Confident10 Ų1031.4 Ų31.410%0.10315%0.15CC..Hα-helixtrans-60-36.7-179.900000113.8R186 A192R186-G188 VanDerWaalsContact C-N 3.29Å; R186-G188 PolarHBondContact O-N 3.15Å; G188-A192 WeakPolarHBondContact O-CB 3.12Å; G188-A192 PolarHBondContact O-N 3Å; G188-A192 VanDerWaalsContact O-N 3.12Å
189R81.6Confident83.5Confident116 Ų11632.4 Ų32.444%0.43816%0.156SC..Hα-helixtrans-71.5-44.9175.1-178.8-176.265.41805.2111.2R186 T187 L191 A192 L193R186-R189 VanDerWaalsContact CD-NH2 3.31Å; R186-R189 WeakPolarHBondContact O-CB 2.94Å; R186-R189 PolarHBondContact O-N 3.35Å; T187-R189 VanDerWaalsContact C-N 3.3Å; T187-R189 PolarHBondContact O-N 2.85Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-A192 PolarHBondContact O-N 3.48Å; R189-L193 HydrophobicContact CG-CD1 4.34Å; R189-L193 WeakPolarHBondContact O-CG 3.44Å; R189-L193 PolarHBondContact O-N 3.03Å
190N84.2Confident83.9Confident7 Ų733.9 Ų33.94%0.03717%0.166CC..Hα-helixtrans-66.3-40.6-177.6-61.3-13.4000110.7F25 M29 D182 R186 T187 L193 Y194F25-N190 HydrophobicContact CZ-CB 4.46Å; F25-N190 VanDerWaalsContact CZ-ND2 3.33Å; F25-N190 WeakPolarHBondContact CZ-ND2 3.36Å; M29-N190 WeakPolarHBondContact CE-O 3.28Å; D182-N190 PolarHBondContact OD2-ND2 3.49Å; R186-N190 PolarHBondContact O-N 3.37Å; T187-N190 PolarHBondContact O-N 3.14Å; N190-L193 PolarHBondContact O-N 3.17Å; N190-Y194 WeakPolarHBondContact O-CB 3.44Å; N190-Y194 PolarHBondContact O-N 3.02Å
191L84.5Confident84.3Confident8 Ų831.4 Ų31.44%0.04215%0.154CC..Hα-helixtrans-63.3-41.4174-172.361.5000111.6I175 T187 R189 L193 Y194 M195 Q511 L515I175-L191 HydrophobicContact CB-CD1 4.38Å; I175-L191 HydrophobicContact CD1-CD1 4.28Å; I175-L191 HydrophobicContact CG1-CD1 3.96Å; I175-L191 HydrophobicContact CG2-CD1 3.87Å; T187-L191 WeakPolarHBondContact O-CB 3.16Å; T187-L191 PolarHBondContact O-N 2.98Å; R189-L191 VanDerWaalsContact C-N 3.34Å; L191-L193 PolarHBondContact O-N 3.2Å; L191-Y194 HydrophobicContact CD1-CD1 4.3Å; L191-Y194 WeakPolarHBondContact O-CB 3.06Å; L191-Y194 PolarHBondContact O-N 3.14Å; L191-M195 HydrophobicContact CD1-CE 3.85Å; L191-M195 HydrophobicContact CD1-CG 4.48Å; L191-M195 HydrophobicContact CG-CG 4.47Å; L191-M195 WeakPolarHBondContact O-CB 3.46Å; L191-M195 VanDerWaalsContact O-CG 3.23Å; L191-M195 WeakPolarHBondContact O-CG 3.23Å; L191-M195 PolarHBondContact O-N 3.08Å; L191-Q511 HydrophobicContact CD2-CB 4.31Å; L191-L515 HydrophobicContact CD2-CD1 4.22Å
192A84.1Confident84.6Confident7 Ų732 Ų326%0.05816%0.158CC..Hα-helixtrans-61.5-44.1174.800000112G188 R189 Y194 M195 I196G188-A192 WeakPolarHBondContact O-CB 3.12Å; G188-A192 PolarHBondContact O-N 3Å; G188-A192 VanDerWaalsContact O-N 3.12Å; R189-A192 PolarHBondContact O-N 3.48Å; A192-Y194 VanDerWaalsContact C-N 3.33Å; A192-Y194 PolarHBondContact O-N 3.45Å; A192-M195 PolarHBondContact O-N 3.27Å; A192-I196 WeakPolarHBondContact O-CB 3.41Å; A192-I196 WeakPolarHBondContact O-CD1 3.37Å; A192-I196 WeakPolarHBondContact O-CG1 3.45Å; A192-I196 PolarHBondContact O-N 3.26Å
193L88.9Confident84.8Confident82 Ų8232.7 Ų32.743%0.42917%0.165SC..Hα-helixtrans-62.1-41.3175.5-71.7172.3000112M29 R189 N190 L191 I196 A197M29-L193 HydrophobicContact CE-CB 3.75Å; R189-L193 HydrophobicContact CG-CD1 4.34Å; R189-L193 WeakPolarHBondContact O-CG 3.44Å; R189-L193 PolarHBondContact O-N 3.03Å; N190-L193 PolarHBondContact O-N 3.17Å; L191-L193 PolarHBondContact O-N 3.2Å; L193-I196 PolarHBondContact O-N 3.16Å; L193-A197 PolarHBondContact O-N 3.49Å
194Y90.7Very high85.5Confident0 Ų037.1 Ų37.10%019%0.187CC..Hα-helixtrans-62.1-44.5175.9-179.7-111.6000112L32 A36 L170 F171 I175 L178 N190 L191 A192 A197 S198L32-Y194 HydrophobicContact CD2-CD2 4.38Å; L32-Y194 HydrophobicContact CD2-CE2 4.08Å; L32-Y194 HydrophobicContact CG-CD2 4.41Å; L32-Y194 HydrophobicContact CG-CE2 3.83Å; A36-Y194 HydrophobicContact CB-CD2 4.16Å; A36-Y194 HydrophobicContact CB-CE2 3.4Å; A36-Y194 VanDerWaalsContact CB-CE2 3.4Å; L170-Y194 WeakPolarHBondContact CG-OH 3.47Å; L170-Y194 PolarHBondContact O-OH 3.09Å; L170-Y194 VanDerWaalsContact O-OH 3.14Å; F171-Y194 AromaticContact CD1-CE1 3.78Å; F171-Y194 HydrophobicContact CD1-CE1 3.78Å; F171-Y194 AromaticContact CE1-CE1 3.77Å; F171-Y194 HydrophobicContact CE1-CE1 3.77Å; I175-Y194 HydrophobicContact CG1-CD1 4.35Å; I175-Y194 HydrophobicContact CG1-CE1 3.96Å; L178-Y194 HydrophobicContact CD1-CD1 4.15Å; L178-Y194 HydrophobicContact CD1-CD2 3.96Å; L178-Y194 HydrophobicContact CD1-CG 3.66Å; N190-Y194 WeakPolarHBondContact O-CB 3.44Å; N190-Y194 PolarHBondContact O-N 3.02Å; L191-Y194 HydrophobicContact CD1-CD1 4.3Å; L191-Y194 WeakPolarHBondContact O-CB 3.06Å; L191-Y194 PolarHBondContact O-N 3.14Å; A192-Y194 VanDerWaalsContact C-N 3.33Å; A192-Y194 PolarHBondContact O-N 3.45Å; Y194-A197 PolarHBondContact O-N 3.31Å; Y194-S198 PolarHBondContact O-N 3.27Å
195M86.5Confident86.5Confident21 Ų2136.2 Ų36.210%0.10318%0.184CC..Hα-helixtrans-68.6-36.4177.7-68.5-68.3167.100112.3I175 L191 A192 S198 T199I175-M195 HydrophobicContact CD1-CE 3.54Å; I175-M195 HydrophobicContact CG1-CE 4.23Å; L191-M195 HydrophobicContact CD1-CE 3.85Å; L191-M195 HydrophobicContact CD1-CG 4.48Å; L191-M195 HydrophobicContact CG-CG 4.47Å; L191-M195 WeakPolarHBondContact O-CB 3.46Å; L191-M195 VanDerWaalsContact O-CG 3.23Å; L191-M195 WeakPolarHBondContact O-CG 3.23Å; L191-M195 PolarHBondContact O-N 3.08Å; A192-M195 PolarHBondContact O-N 3.27Å; M195-S198 WeakPolarHBondContact O-CB 3.49Å; M195-S198 PolarHBondContact O-N 3.22Å; M195-T199 WeakPolarHBondContact O-CB 3.32Å; M195-T199 PolarHBondContact O-N 3.35Å; M195-T199 PolarHBondContact O-OG1 3.22Å
196I89.8Confident87.4Confident25 Ų2530.2 Ų30.213%0.12816%0.158CC..Hα-helixtrans-61.1-47.6171.8-71.6163.1000109.9A192 L193 S198 T199 V200 I356 Y360A192-I196 WeakPolarHBondContact O-CB 3.41Å; A192-I196 WeakPolarHBondContact O-CD1 3.37Å; A192-I196 WeakPolarHBondContact O-CG1 3.45Å; A192-I196 PolarHBondContact O-N 3.26Å; L193-I196 PolarHBondContact O-N 3.16Å; I196-S198 VanDerWaalsContact C-N 3.32Å; I196-S198 PolarHBondContact O-N 3.11Å; I196-T199 WeakPolarHBondContact O-CA 3.49Å; I196-T199 WeakPolarHBondContact O-CB 3.42Å; I196-T199 PolarHBondContact O-N 3.35Å; I196-V200 HydrophobicContact CG2-CG2 4.48Å; I196-V200 WeakPolarHBondContact O-CG2 3.34Å; I196-V200 PolarHBondContact O-N 3.12Å; I196-I356 HydrophobicContact CG2-CG1 4.46Å; I196-I356 HydrophobicContact CG2-CG2 3.98Å; I196-Y360 HydrophobicContact CD1-CD2 4.05Å
197A92.5Very high88Confident19 Ų1928.5 Ų28.516%0.15716%0.157CC..Hα-helixtrans-60-42.5177.700000112.1M37 L193 Y194 T199 V200 G201M37-A197 WeakPolarHBondContact CA-O 3.41Å; M37-A197 VanDerWaalsContact CB-O 3.28Å; M37-A197 WeakPolarHBondContact CB-O 3.46Å; L193-A197 PolarHBondContact O-N 3.49Å; Y194-A197 PolarHBondContact O-N 3.31Å; A197-T199 VanDerWaalsContact C-N 3.29Å; A197-T199 PolarHBondContact O-N 3.31Å; A197-V200 PolarHBondContact O-N 2.97Å; A197-G201 PolarHBondContact O-N 3.5Å
198S91.4Very high88.7Confident13 Ų1329.1 Ų29.19%0.09117%0.168CC..Hα-helixtrans-58.7-39.5172.3178.20000112.5F171 Y194 M195 I196 G201 P202F171-S198 VanDerWaalsContact CZ-OG 3.25Å; F171-S198 WeakPolarHBondContact CZ-OG 3.42Å; Y194-S198 PolarHBondContact O-N 3.27Å; M195-S198 WeakPolarHBondContact O-CB 3.49Å; M195-S198 PolarHBondContact O-N 3.22Å; I196-S198 VanDerWaalsContact C-N 3.32Å; I196-S198 PolarHBondContact O-N 3.11Å; S198-G201 PolarHBondContact O-N 3.03Å; S198-P202 WeakPolarHBondContact O-CD 3.48Å
199T87.7Confident89.4Confident23 Ų2328.9 Ų28.914%0.14116%0.164CC..Hα-helixtrans-72.7-30.4-180-54.90000112.9M195 I196 A197 G201 P202 V352 I356 F504M195-T199 WeakPolarHBondContact O-CB 3.32Å; M195-T199 PolarHBondContact O-N 3.35Å; M195-T199 PolarHBondContact O-OG1 3.22Å; I196-T199 WeakPolarHBondContact O-CA 3.49Å; I196-T199 WeakPolarHBondContact O-CB 3.42Å; I196-T199 PolarHBondContact O-N 3.35Å; A197-T199 VanDerWaalsContact C-N 3.29Å; A197-T199 PolarHBondContact O-N 3.31Å; T199-G201 PolarHBondContact O-N 2.91Å; T199-P202 WeakPolarHBondContact O-CD 3.48Å; T199-V352 HydrophobicContact CG2-CG1 4.13Å; T199-V352 VanDerWaalsContact O-CG1 3.22Å; T199-V352 WeakPolarHBondContact O-CG1 3.38Å; T199-I356 HydrophobicContact CG2-CG1 4.33Å; T199-F504 HydrophobicContact CG2-CE1 4.39Å
200V91.8Very high89.7Confident42 Ų4223.3 Ų23.326%0.25514%0.143SC..Hα-helixtrans-63.8-31.8173.4171.90000111.4M37 I196 A197 A203 L204 I356M37-V200 HydrophobicContact CG-CB 4.4Å; M37-V200 HydrophobicContact CG-CG1 4.29Å; M37-V200 HydrophobicContact SD-CB 4.45Å; M37-V200 HydrophobicContact SD-CG1 3.86Å; I196-V200 HydrophobicContact CG2-CG2 4.48Å; I196-V200 WeakPolarHBondContact O-CG2 3.34Å; I196-V200 PolarHBondContact O-N 3.12Å; A197-V200 PolarHBondContact O-N 2.97Å; V200-A203 VanDerWaalsContact O-CB 3.27Å; V200-A203 WeakPolarHBondContact O-CB 3.46Å; V200-A203 PolarHBondContact O-N 3.43Å; V200-A203 VanDerWaalsContact O-N 3.1Å; V200-L204 HydrophobicContact CG1-CD1 4.12Å; V200-L204 HydrophobicContact CG1-CG 4.23Å; V200-L204 PolarHBondContact O-N 3.43Å; V200-L204 VanDerWaalsContact O-N 3.1Å; V200-I356 HydrophobicContact CG2-CD1 3.69Å; V200-I356 HydrophobicContact CG2-CG1 4.21Å
201G92.1Very high90Very high0 Ų028.1 Ų28.10%016%0.164CC..Hα-helixtrans-52.7-60.2177.800000113.4M37 A41 A197 S198 T199 A203 L204 A205M37-G201 WeakPolarHBondContact O-CA 3.43Å; A41-G201 VanDerWaalsContact CA-C 3.47Å; A41-G201 WeakPolarHBondContact CA-O 3.37Å; A41-G201 VanDerWaalsContact CB-O 3.31Å; A41-G201 WeakPolarHBondContact CB-O 3.33Å; A197-G201 PolarHBondContact O-N 3.5Å; S198-G201 PolarHBondContact O-N 3.03Å; T199-G201 PolarHBondContact O-N 2.91Å; G201-A203 PolarHBondContact O-N 2.94Å; G201-L204 PolarHBondContact O-N 2.88Å; G201-L204 VanDerWaalsContact O-N 3.14Å; G201-A205 PolarHBondContact O-N 3.39Å; G201-A205 VanDerWaalsContact O-N 3.08Å
202P90.9Very high90.3Very high15 Ų1530.9 Ų30.910%0.09718%0.178CC..Hα-helixtrans-51.8-37.9172.6-30.135.7000113.8N44 S198 T199 L204 A205 F206N44-P202 HydrophobicContact CB-CG 3.87Å; S198-P202 WeakPolarHBondContact O-CD 3.48Å; T199-P202 WeakPolarHBondContact O-CD 3.48Å; P202-L204 PolarHBondContact O-N 3.24Å; P202-A205 PolarHBondContact O-N 3.17Å; P202-F206 HydrophobicContact CB-CD2 4.12Å; P202-F206 HydrophobicContact CB-CE2 4.05Å; P202-F206 WeakPolarHBondContact O-CB 3.26Å; P202-F206 WeakPolarHBondContact O-CD2 3.33Å; P202-F206 PolarHBondContact O-N 3.39Å
203A89.8Confident90.5Very high19 Ų1930.8 Ų30.816%0.15718%0.176CC..Hα-helixtrans-57.7-52175.600000112V200 G201 A205 F206 V207 V352V200-A203 VanDerWaalsContact O-CB 3.27Å; V200-A203 WeakPolarHBondContact O-CB 3.46Å; V200-A203 PolarHBondContact O-N 3.43Å; V200-A203 VanDerWaalsContact O-N 3.1Å; G201-A203 PolarHBondContact O-N 2.94Å; A203-A205 PolarHBondContact O-N 3.23Å; A203-F206 PolarHBondContact O-N 3.29Å; A203-V207 WeakPolarHBondContact O-CB 3.37Å; A203-V207 WeakPolarHBondContact O-CG2 3.48Å; A203-V207 PolarHBondContact O-N 3.12Å; A203-V352 HydrophobicContact CB-CB 3.61Å; A203-V352 HydrophobicContact CB-CG1 3.13Å; A203-V352 HydrophobicContact CB-CG2 3.92Å
204L91.9Very high90.5Very high102 Ų10231.7 Ų31.753%0.53417%0.174SC..Hα-helixtrans-61.4-37.4-178.2-65.2176.1000110.6M37 V200 G201 P202 G208M37-L204 HydrophobicContact CE-CD1 4.28Å; M37-L204 HydrophobicContact CG-CD1 4.4Å; M37-L204 HydrophobicContact SD-CD1 3.81Å; V200-L204 HydrophobicContact CG1-CD1 4.12Å; V200-L204 HydrophobicContact CG1-CG 4.23Å; V200-L204 PolarHBondContact O-N 3.43Å; V200-L204 VanDerWaalsContact O-N 3.1Å; G201-L204 PolarHBondContact O-N 2.88Å; G201-L204 VanDerWaalsContact O-N 3.14Å; P202-L204 PolarHBondContact O-N 3.24Å; L204-G208 WeakPolarHBondContact O-CA 3.44Å; L204-G208 PolarHBondContact O-N 3.19Å
205A93.9Very high90.5Very high6 Ų635.9 Ų35.95%0.0520%0.196CC..Hα-helixtrans-69.1-51.6174.900000112.8A41 L46 G201 P202 A203 V207 C209A41-A205 HydrophobicContact CB-CB 4.15Å; A41-A205 WeakPolarHBondContact O-CB 3.48Å; L46-A205 HydrophobicContact CD2-CB 4.03Å; L46-A205 HydrophobicContact CG-CB 3.95Å; G201-A205 PolarHBondContact O-N 3.39Å; G201-A205 VanDerWaalsContact O-N 3.08Å; P202-A205 PolarHBondContact O-N 3.17Å; A203-A205 PolarHBondContact O-N 3.23Å; A205-V207 VanDerWaalsContact C-N 3.33Å; A205-V207 PolarHBondContact O-N 3.43Å; A205-C209 WeakPolarHBondContact O-CA 3.4Å; A205-C209 WeakPolarHBondContact O-CB 3.43Å; A205-C209 PolarHBondContact O-N 2.89Å
206F92.4Very high90.6Very high11 Ų1136 Ų365%0.04820%0.195CC..Hα-helixtrans-58.9-43178.8-80.8-64.4000112.3V49 P202 A203 G210 I328 P329 T347 V352V49-F206 HydrophobicContact CG2-CB 4.45Å; V49-F206 HydrophobicContact CG2-CD1 3.2Å; V49-F206 HydrophobicContact CG2-CE1 3.52Å; V49-F206 HydrophobicContact CG2-CG 4.03Å; P202-F206 HydrophobicContact CB-CD2 4.12Å; P202-F206 HydrophobicContact CB-CE2 4.05Å; P202-F206 WeakPolarHBondContact O-CB 3.26Å; P202-F206 WeakPolarHBondContact O-CD2 3.33Å; P202-F206 PolarHBondContact O-N 3.39Å; A203-F206 PolarHBondContact O-N 3.29Å; F206-G210 VanDerWaalsContact O-CA 3.29Å; F206-G210 WeakPolarHBondContact O-CA 3.49Å; F206-G210 PolarHBondContact O-N 3.02Å; F206-I328 HydrophobicContact CE1-CG2 4.46Å; F206-I328 HydrophobicContact CZ-CG2 4.35Å; F206-P329 HydrophobicContact CD1-CG 4.47Å; F206-P329 HydrophobicContact CE1-CG 3.76Å; F206-T347 HydrophobicContact CD1-CG2 3.88Å; F206-T347 HydrophobicContact CD2-CG2 4.22Å; F206-T347 HydrophobicContact CE1-CG2 3.71Å; F206-T347 HydrophobicContact CE2-CG2 4.05Å; F206-T347 HydrophobicContact CG-CG2 4.19Å; F206-T347 HydrophobicContact CZ-CG2 3.81Å; F206-V352 HydrophobicContact CD2-CG2 4.47Å
207V92.1Very high90.4Very high54 Ų5434.8 Ų34.833%0.32719%0.189SC..Hα-helixtrans-75.5-55.2179.9177.70000110.8A203 A205 G210 F211 L345A203-V207 WeakPolarHBondContact O-CB 3.37Å; A203-V207 WeakPolarHBondContact O-CG2 3.48Å; A203-V207 PolarHBondContact O-N 3.12Å; A205-V207 VanDerWaalsContact C-N 3.33Å; A205-V207 PolarHBondContact O-N 3.43Å; V207-G210 PolarHBondContact O-N 2.95Å; V207-F211 HydrophobicContact CG1-CD2 4.13Å; V207-F211 HydrophobicContact CG1-CE2 3.76Å; V207-F211 WeakPolarHBondContact O-CD2 3.1Å; V207-F211 PolarHBondContact O-N 3.47Å; V207-F211 VanDerWaalsContact O-N 3.1Å; V207-L345 HydrophobicContact CG1-CD2 4.28Å
208G91.3Very high90Very high32 Ų3234.7 Ų34.733%0.3319%0.186SC..Hα-helixtrans-62.6-49.5-17700000112.4L204 F211 M212L204-G208 WeakPolarHBondContact O-CA 3.44Å; L204-G208 PolarHBondContact O-N 3.19Å; G208-F211 PolarHBondContact O-N 3.21Å; G208-M212 WeakPolarHBondContact O-CG 3.43Å; G208-M212 PolarHBondContact O-N 3.41Å; G208-M212 VanDerWaalsContact O-N 3.13Å
209C88.7Confident89.6Confident4 Ų442.1 Ų42.13%0.02721%0.212CC..Hα-helixtrans-71.3-31.6176.3-165.80000111.7L46 V49 A205 F211 M212 L213L46-C209 HydrophobicContact CD2-CB 3.66Å; V49-C209 HydrophobicContact CB-CB 4.49Å; V49-C209 HydrophobicContact CG1-CB 3.84Å; V49-C209 VanDerWaalsContact CG1-SG 3.54Å; A205-C209 WeakPolarHBondContact O-CA 3.4Å; A205-C209 WeakPolarHBondContact O-CB 3.43Å; A205-C209 PolarHBondContact O-N 2.89Å; C209-F211 PolarHBondContact O-N 2.98Å; C209-M212 CarbonylContact O-C 3.57Å; C209-M212 PolarHBondContact O-N 2.96Å; C209-L213 WeakPolarHBondContact O-CB 3.36Å; C209-L213 WeakPolarHBondContact O-CG 3.4Å; C209-L213 PolarHBondContact O-N 2.95Å
210G88.4Confident89.3Confident0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-57.3-35.7171.400000113.3F206 V207F206-G210 VanDerWaalsContact O-CA 3.29Å; F206-G210 WeakPolarHBondContact O-CA 3.49Å; F206-G210 PolarHBondContact O-N 3.02Å; V207-G210 PolarHBondContact O-N 2.95Å
211F90.9Very high88.9Confident107 Ų10749.1 Ų49.147%0.46924%0.236SC..Hα-helixtrans-72.1-43.9169.7-74.8-68.4000112.8V207 G208 C209 L213 R214 L345V207-F211 HydrophobicContact CG1-CD2 4.13Å; V207-F211 HydrophobicContact CG1-CE2 3.76Å; V207-F211 WeakPolarHBondContact O-CD2 3.1Å; V207-F211 PolarHBondContact O-N 3.47Å; V207-F211 VanDerWaalsContact O-N 3.1Å; G208-F211 PolarHBondContact O-N 3.21Å; C209-F211 PolarHBondContact O-N 2.98Å; F211-L213 PolarHBondContact O-N 3.46Å; F211-R214 WeakPolarHBondContact O-CB 3.02Å; F211-R214 PolarHBondContact O-N 3.13Å; F211-L345 HydrophobicContact CD2-CD2 4.04Å; F211-L345 HydrophobicContact CE2-CD2 3.84Å; F211-L345 HydrophobicContact CG-CD2 4.46Å; F211-L345 HydrophobicContact CZ-CD2 4.09Å
212M90.2Very high88.4Confident67 Ų6751.1 Ų51.133%0.3325%0.25SS..Hα-helixtrans-63-32178.3-62.7-61.6134.500112.4G208 C209 R214 L215 M239 I242G208-M212 WeakPolarHBondContact O-CG 3.43Å; G208-M212 PolarHBondContact O-N 3.41Å; G208-M212 VanDerWaalsContact O-N 3.13Å; C209-M212 CarbonylContact O-C 3.57Å; C209-M212 PolarHBondContact O-N 2.96Å; M212-R214 PolarHBondContact O-N 3.34Å; M212-R214 VanDerWaalsContact O-N 3.16Å; M212-L215 WeakPolarHBondContact O-CB 3.49Å; M212-L215 PolarHBondContact O-N 3.47Å; M212-L215 HydrophobicContact SD-CD1 4.02Å; M212-M239 PolarHBondContact O-N 2.94Å; M212-I242 HydrophobicContact CB-CG2 3.91Å; M212-I242 HydrophobicContact CG-CG2 3.73Å; M212-I242 HydrophobicContact SD-CG2 4.14Å
213L89.1Confident88Confident5 Ų552.4 Ų52.43%0.02626%0.258CS..THydrogen-bonded Turntrans-68.2-6.7174.5-75.5-170.8000113.9V49 S53 C209 F211 F236 W240V49-L213 HydrophobicContact CG1-CD1 3.3Å; V49-L213 HydrophobicContact CG1-CG 3.99Å; V49-L213 WeakPolarHBondContact O-CD1 3.32Å; S53-L213 WeakPolarHBondContact OG-CD2 3.33Å; C209-L213 WeakPolarHBondContact O-CB 3.36Å; C209-L213 WeakPolarHBondContact O-CG 3.4Å; C209-L213 PolarHBondContact O-N 2.95Å; F211-L213 PolarHBondContact O-N 3.46Å; L213-F236 WeakPolarHBondContact O-CE1 3.36Å; L213-W240 HydrophobicContact CD2-CB 4.02Å
214R88.1Confident87.5Confident100 Ų10054.8 Ų54.838%0.37728%0.279SS..THydrogen-bonded Turntrans-89.3-10.8169.6-62.6178.7171.5-179-3.4112.8F211 M212 F236 N342 L345F211-R214 WeakPolarHBondContact O-CB 3.02Å; F211-R214 PolarHBondContact O-N 3.13Å; M212-R214 PolarHBondContact O-N 3.34Å; M212-R214 VanDerWaalsContact O-N 3.16Å; R214-F236 WeakPolarHBondContact O-CZ 3.31Å; R214-N342 PolarHBondContact NH2-OD1 2.95Å; R214-L345 VanDerWaalsContact NH2-CD1 3.26Å
215L90.3Very high86.7Confident88 Ų8856 Ų5646%0.46128%0.281SS..SBendtrans-92.4143.1173.7-55.9176.3000109.2M212 F236 G238 M239M212-L215 WeakPolarHBondContact O-CB 3.49Å; M212-L215 PolarHBondContact O-N 3.47Å; M212-L215 HydrophobicContact SD-CD1 4.02Å; L215-F236 VanDerWaalsContact C-CZ 3.5Å; L215-G238 CarbonylContact O-C 3.42Å; L215-G238 VanDerWaalsContact O-CA 3.27Å; L215-G238 WeakPolarHBondContact O-CA 3.46Å; L215-M239 HydrophobicContact CB-CG 3.96Å; L215-M239 HydrophobicContact CB-SD 3.61Å; L215-M239 HydrophobicContact CD1-SD 4.15Å; L215-M239 PolarHBondContact O-N 3.12Å; L215-M239 VanDerWaalsContact O-N 3.09Å
216W89.1Confident85.7Confident23 Ų2357 Ų579%0.08729%0.285CS..BIsolated β-bridgetrans-67.7133.2-175.7-179.7-117.2000111.1Y120 V122 D218 T221 P223 M226 I228 F236 M239Y120-W216 HydrophobicContact CD1-CH2 4.05Å; Y120-W216 AromaticContact CD1-CZ2 3.68Å; Y120-W216 HydrophobicContact CD1-CZ2 3.68Å; Y120-W216 HydrophobicContact CE1-CZ2 4.36Å; Y120-W216 HydrophobicContact CG-CZ2 4.23Å; V122-W216 HydrophobicContact CG1-CH2 4.04Å; W216-D218 VanDerWaalsContact C-N 3.34Å; W216-D218 PolarHBondContact O-N 3.47Å; W216-T221 VanDerWaalsContact CD1-O 3.23Å; W216-T221 PolarHBondContact NE1-OG1 3.03Å; W216-P223 HydrophobicContact CB-CB 4.37Å; W216-P223 HydrophobicContact CB-CG 4.12Å; W216-P223 HydrophobicContact CD2-CB 3.97Å; W216-P223 HydrophobicContact CE3-CB 4.13Å; W216-P223 HydrophobicContact CG-CB 4.05Å; W216-P223 HydrophobicContact CG-CG 4.2Å; W216-M226 VanDerWaalsContact CE2-CE 3.44Å; W216-M226 HydrophobicContact CH2-CE 4.15Å; W216-M226 HydrophobicContact CH2-SD 4.38Å; W216-M226 HydrophobicContact CZ2-CE 3.17Å; W216-M226 HydrophobicContact CZ2-SD 3.75Å; W216-I228 HydrophobicContact CH2-CD1 3.56Å; W216-I228 HydrophobicContact CZ3-CD1 3.53Å; W216-F236 HydrophobicContact CB-CE2 4.37Å; W216-F236 HydrophobicContact CB-CZ 4.27Å; W216-F236 AromaticContact CE3-CD2 3.78Å; W216-F236 HydrophobicContact CE3-CD2 3.78Å; W216-F236 AromaticContact CE3-CE2 3.72Å; W216-F236 HydrophobicContact CE3-CE2 3.72Å; W216-F236 HydrophobicContact CE3-CG 4.26Å; W216-F236 HydrophobicContact CE3-CZ 4.15Å; W216-F236 HydrophobicContact CZ3-CD2 4.11Å; W216-F236 HydrophobicContact CZ3-CE2 4.5Å; W216-F236 HydrophobicContact CZ3-CG 4.35Å; W216-M239 WeakPolarHBondContact O-CG 3.36Å
217G85.2Confident84.9Confident0 Ų056.7 Ų56.70%029%0.285CS..SBendtrans-60.7-38.1-171.800000114.6I237G217-I237 PolarHBondContact N-O 3.15Å
218D84.9Confident84.3Confident18 Ų1854.3 Ų54.310%0.09627%0.27CS..  trans-93.5108.9179.2-1757.5000111.1Y120 W216 R220 T221Y120-D218 HydrophobicContact CD2-CB 3.72Å; Y120-D218 HydrophobicContact CE2-CB 3.68Å; Y120-D218 HydrophobicContact CG-CB 4.22Å; W216-D218 VanDerWaalsContact C-N 3.34Å; W216-D218 PolarHBondContact O-N 3.47Å; D218-R220 PolarHBondContact O-N 3.48Å; D218-R220 VanDerWaalsContact OD1-CB 3.3Å; D218-R220 WeakPolarHBondContact OD1-CB 3.36Å; D218-R220 PolarHBondContact OD1-N 3.37Å; D218-T221 WeakPolarHBondContact CB-OG1 3.3Å; D218-T221 VanDerWaalsContact CG-OG1 3.24Å; D218-T221 VanDerWaalsContact O-O 3.09Å; D218-T221 WeakPolarHBondContact OD2-CG2 3.09Å; D218-T221 PolarHBondContact OD2-OG1 3.02Å
219W82.4Confident83.6Confident168 Ų16857.7 Ų57.764%0.63628%0.281SS*.THydrogen-bonded Turntrans-69-13.5177.569-84.4000113.5
220R82.8Confident83.4Confident168 Ų16861.7 Ų61.763%0.63430%0.302SS*.THydrogen-bonded Turntrans-88.8-22.1-176.7-58.4178.1178.2168.41.3113.6D218D218-R220 PolarHBondContact O-N 3.48Å; D218-R220 VanDerWaalsContact OD1-CB 3.3Å; D218-R220 WeakPolarHBondContact OD1-CB 3.36Å; D218-R220 PolarHBondContact OD1-N 3.37Å
221T82Confident83.2Confident44 Ų4463.5 Ų63.527%0.2732%0.315SS..SBendtrans-119.5144.2-176.6540000110.4W216 D218 M226W216-T221 VanDerWaalsContact CD1-O 3.23Å; W216-T221 PolarHBondContact NE1-OG1 3.03Å; D218-T221 WeakPolarHBondContact CB-OG1 3.3Å; D218-T221 VanDerWaalsContact CG-OG1 3.24Å; D218-T221 VanDerWaalsContact O-O 3.09Å; D218-T221 WeakPolarHBondContact OD2-CG2 3.09Å; D218-T221 PolarHBondContact OD2-OG1 3.02Å; T221-M226 WeakPolarHBondContact OG1-CE 3.28Å
222S82.6Confident82.8Confident43 Ų4361.5 Ų61.530%0.30132%0.318SS..  trans-84.5138173.275.60000110.2A224 E225S222-A224 PolarHBondContact O-N 3.22Å; S222-E225 WeakPolarHBondContact CB-OE1 3.47Å; S222-E225 WeakPolarHBondContact O-CB 3.36Å; S222-E225 PolarHBondContact O-N 3.4Å; S222-E225 VanDerWaalsContact O-N 3.12Å; S222-E225 WeakPolarHBondContact OG-CG 3.28Å; S222-E225 PolarHBondContact OG-N 3.31Å; S222-E225 PolarHBondContact OG-OE1 3.18Å
223P82.4Confident82.4Confident41 Ų4158.9 Ų58.927%0.26631%0.305SS..G310 helixtrans-60.5-28.4176.323.6-33.2000112W216 E225 M226 G227 I228W216-P223 HydrophobicContact CB-CB 4.37Å; W216-P223 HydrophobicContact CB-CG 4.12Å; W216-P223 HydrophobicContact CD2-CB 3.97Å; W216-P223 HydrophobicContact CE3-CB 4.13Å; W216-P223 HydrophobicContact CG-CB 4.05Å; W216-P223 HydrophobicContact CG-CG 4.2Å; P223-E225 PolarHBondContact O-N 3.12Å; P223-M226 CarbonylContact O-C 3.55Å; P223-M226 PolarHBondContact O-N 3.33Å; P223-M226 VanDerWaalsContact O-N 3.15Å; P223-G227 PolarHBondContact O-N 3.47Å; P223-I228 CarbonylContact C-O 3.46Å; P223-I228 HydrophobicContact CB-CB 4.1Å; P223-I228 HydrophobicContact CB-CG2 4.26Å; P223-I228 WeakPolarHBondContact O-CB 3.22Å; P223-I228 PolarHBondContact O-N 3.37Å
224A79.1Confident82.1Confident70 Ų7059.6 Ų59.658%0.57931%0.31SS*.G310 helixtrans-64.3-36.4176.600000112.7S222 M226 G227S222-A224 PolarHBondContact O-N 3.22Å; A224-M226 PolarHBondContact O-N 3.29Å; A224-G227 PolarHBondContact O-N 2.87Å
225E74.5Confident81.9Confident126 Ų12655.9 Ų55.959%0.58930%0.296SS*.G310 helixtrans-62-28.4174.5-77.6157.1-132.800112.4S222 P223 G227S222-E225 WeakPolarHBondContact CB-OE1 3.47Å; S222-E225 WeakPolarHBondContact O-CB 3.36Å; S222-E225 PolarHBondContact O-N 3.4Å; S222-E225 VanDerWaalsContact O-N 3.12Å; S222-E225 WeakPolarHBondContact OG-CG 3.28Å; S222-E225 PolarHBondContact OG-N 3.31Å; S222-E225 PolarHBondContact OG-OE1 3.18Å; P223-E225 PolarHBondContact O-N 3.12Å; E225-G227 VanDerWaalsContact C-N 3.34Å
226M73.5Confident81.8Confident28 Ų2852.4 Ų52.414%0.13828%0.278CS..G310 helixtrans-92.86.8176.1-75.2175.3-78.700113.3V122 W216 T221 P223 A224 I228V122-M226 HydrophobicContact CG2-CB 3.55Å; V122-M226 HydrophobicContact CG2-CG 3.82Å; V122-M226 HydrophobicContact CG2-SD 3.65Å; W216-M226 VanDerWaalsContact CE2-CE 3.44Å; W216-M226 HydrophobicContact CH2-CE 4.15Å; W216-M226 HydrophobicContact CH2-SD 4.38Å; W216-M226 HydrophobicContact CZ2-CE 3.17Å; W216-M226 HydrophobicContact CZ2-SD 3.75Å; T221-M226 WeakPolarHBondContact OG1-CE 3.28Å; P223-M226 CarbonylContact O-C 3.55Å; P223-M226 PolarHBondContact O-N 3.33Å; P223-M226 VanDerWaalsContact O-N 3.15Å; A224-M226 PolarHBondContact O-N 3.29Å; M226-I228 HydrophobicContact CB-CD1 4.48Å; M226-I228 PolarHBondContact O-N 3.47Å
227G74.5Confident81.8Confident4 Ų451.8 Ų51.84%0.04128%0.276CS..THydrogen-bonded Turntrans63.739.2-178.800000113P223 A224 E225 R235 G461 K478P223-G227 PolarHBondContact O-N 3.47Å; A224-G227 PolarHBondContact O-N 2.87Å; E225-G227 VanDerWaalsContact C-N 3.34Å; G227-R235 PolarHBondContact O-NH2 3.49Å; G227-G461 VanDerWaalsContact CA-CA 3.4Å; G227-K478 WeakPolarHBondContact O-CE 3.32Å; G227-K478 PolarHBondContact O-NZ 2.92Å
228I79.9Confident82Confident4 Ų451.8 Ų51.82%0.02128%0.276CS..  trans-109.9118.7174-66176000108.4V122 W216 P223 M226 D233 R235 F236V122-I228 HydrophobicContact CB-CD1 4.19Å; V122-I228 HydrophobicContact CG1-CD1 4.28Å; V122-I228 HydrophobicContact CG2-CD1 3.81Å; W216-I228 HydrophobicContact CH2-CD1 3.56Å; W216-I228 HydrophobicContact CZ3-CD1 3.53Å; P223-I228 CarbonylContact C-O 3.46Å; P223-I228 HydrophobicContact CB-CB 4.1Å; P223-I228 HydrophobicContact CB-CG2 4.26Å; P223-I228 WeakPolarHBondContact O-CB 3.22Å; P223-I228 PolarHBondContact O-N 3.37Å; M226-I228 HydrophobicContact CB-CD1 4.48Å; M226-I228 PolarHBondContact O-N 3.47Å; I228-D233 HydrophobicContact CG2-CB 3.9Å; I228-R235 HydrophobicContact CD1-CB 4.28Å; I228-F236 HydrophobicContact CG2-CD2 3.74Å
229D77.3Confident82.3Confident103 Ų10352.2 Ų52.255%0.55128%0.278SS*.  trans-86.7-38.3-171.4-52.1-58.2000112.5K478D229-K478 IonicContact OD2-NZ 2.57Å; D229-K478 PolarHBondContact OD2-NZ 2.64Å
230N83.5Confident82.8Confident89 Ų8944.2 Ų44.248%0.47625%0.247SC..SBendtrans-154.3174.7-175.265.127.4000111.9A232 D233 F236N230-A232 PolarHBondContact O-N 3.17Å; N230-A232 WeakPolarHBondContact OD1-CA 3.29Å; N230-A232 WeakPolarHBondContact OD1-CB 3.5Å; N230-A232 PolarHBondContact OD1-N 3.41Å; N230-D233 WeakPolarHBondContact O-CB 3.5Å; N230-D233 PolarHBondContact O-N 3.49Å; N230-D233 PolarHBondContact OD1-N 2.57Å; N230-D233 VanDerWaalsContact OD1-N 3.14Å; N230-F236 WeakPolarHBondContact O-CD2 3.4Å
231S84.5Confident83.3Confident37 Ų3737.5 Ų37.526%0.25922%0.222SC..THydrogen-bonded Turntrans-74.6-2.4177.954.80000114.9
232A83.4Confident83.8Confident65 Ų6537.7 Ų37.754%0.53722%0.221SC..THydrogen-bonded Turntrans-85.9-15.5170.900000112.1N230N230-A232 PolarHBondContact O-N 3.17Å; N230-A232 WeakPolarHBondContact OD1-CA 3.29Å; N230-A232 WeakPolarHBondContact OD1-CB 3.5Å; N230-A232 PolarHBondContact OD1-N 3.41Å
233D82.4Confident84.3Confident13 Ų1336.2 Ų36.27%0.0721%0.213CC..SBendtrans-57.4126.1172.4-170.3-39.8000109.2I228 N230 R235 F236 K478I228-D233 HydrophobicContact CG2-CB 3.9Å; N230-D233 WeakPolarHBondContact O-CB 3.5Å; N230-D233 PolarHBondContact O-N 3.49Å; N230-D233 PolarHBondContact OD1-N 2.57Å; N230-D233 VanDerWaalsContact OD1-N 3.14Å; D233-R235 PolarHBondContact O-N 3.45Å; D233-R235 VanDerWaalsContact O-N 3.11Å; D233-R235 WeakPolarHBondContact OD1-CB 3.44Å; D233-R235 PolarHBondContact OD1-N 2.79Å; D233-R235 IonicContact OD1-NE 2.7Å; D233-R235 PolarHBondContact OD1-NE 3.35Å; D233-R235 IonicContact OD1-NH2 3.44Å; D233-R235 IonicContact OD2-CZ 2.91Å; D233-R235 IonicContact OD2-NE 3.39Å; D233-R235 IonicContact OD2-NH2 2.67Å; D233-R235 PolarHBondContact OD2-NH2 2.93Å; D233-F236 HydrophobicContact CB-CB 4.46Å; D233-F236 WeakPolarHBondContact O-CB 3.29Å; D233-F236 PolarHBondContact O-N 3.28Å; D233-K478 WeakPolarHBondContact OD2-CE 3.33Å; D233-K478 IonicContact OD2-NZ 2.64Å; D233-K478 PolarHBondContact OD2-NZ 3.2Å
234P80.8Confident85Confident20 Ų2034.3 Ų34.313%0.1320%0.2CC..THydrogen-bonded Turntrans-60.7-23-178.718.4-28.7000113.6K56 F236 F432 P434 Y480K56-P234 VanDerWaalsContact CE-O 3.3Å; K56-P234 WeakPolarHBondContact CE-O 3.25Å; K56-P234 PolarHBondContact NZ-O 3.08Å; P234-F236 VanDerWaalsContact C-N 3.25Å; P234-F236 PolarHBondContact O-N 2.91Å; P234-F432 HydrophobicContact CB-CE1 4.12Å; P234-F432 HydrophobicContact CG-CE1 4.3Å; P234-P434 HydrophobicContact CB-CG 4.45Å; P234-P434 HydrophobicContact CG-CG 3.36Å; P234-Y480 HydrophobicContact CB-CE2 3.71Å; P234-Y480 HydrophobicContact CG-CD2 4.37Å; P234-Y480 HydrophobicContact CG-CE2 3.67Å
235R84.1Confident85.8Confident22 Ų2232.2 Ų32.28%0.08318%0.18CC..THydrogen-bonded Turntrans-80.3-8.2176-57.7173.5-63.8158.69.9112.6V122 G227 I228 D233 I237 F432 N433V122-R235 HydrophobicContact CB-CB 4.37Å; V122-R235 WeakPolarHBondContact O-CD 3.26Å; V122-R235 PolarHBondContact O-NH1 3.29Å; G227-R235 PolarHBondContact O-NH2 3.49Å; I228-R235 HydrophobicContact CD1-CB 4.28Å; D233-R235 PolarHBondContact O-N 3.45Å; D233-R235 VanDerWaalsContact O-N 3.11Å; D233-R235 WeakPolarHBondContact OD1-CB 3.44Å; D233-R235 PolarHBondContact OD1-N 2.79Å; D233-R235 IonicContact OD1-NE 2.7Å; D233-R235 PolarHBondContact OD1-NE 3.35Å; D233-R235 IonicContact OD1-NH2 3.44Å; D233-R235 IonicContact OD2-CZ 2.91Å; D233-R235 IonicContact OD2-NE 3.39Å; D233-R235 IonicContact OD2-NH2 2.67Å; D233-R235 PolarHBondContact OD2-NH2 2.93Å; R235-I237 PolarHBondContact O-N 3.44Å; R235-F432 VanDerWaalsContact CD-O 3.22Å; R235-F432 WeakPolarHBondContact CD-O 3.3Å; R235-F432 WeakPolarHBondContact CG-O 3.38Å; R235-N433 PolarHBondContact NE-OD1 3.43Å; R235-N433 PolarHBondContact NH1-ND2 3.19Å; R235-N433 PolarHBondContact NH1-OD1 3.31Å
236F87.9Confident86.8Confident15 Ų1530.3 Ų30.37%0.06618%0.177CC..  trans-63.5128.1-179.9-166-84.8000111.5K56 L213 R214 L215 W216 I228 N230 D233 P234K56-F236 PolarHBondContact NZ-O 3.34Å; L213-F236 WeakPolarHBondContact O-CE1 3.36Å; R214-F236 WeakPolarHBondContact O-CZ 3.31Å; L215-F236 VanDerWaalsContact C-CZ 3.5Å; W216-F236 HydrophobicContact CB-CE2 4.37Å; W216-F236 HydrophobicContact CB-CZ 4.27Å; W216-F236 AromaticContact CE3-CD2 3.78Å; W216-F236 HydrophobicContact CE3-CD2 3.78Å; W216-F236 AromaticContact CE3-CE2 3.72Å; W216-F236 HydrophobicContact CE3-CE2 3.72Å; W216-F236 HydrophobicContact CE3-CG 4.26Å; W216-F236 HydrophobicContact CE3-CZ 4.15Å; W216-F236 HydrophobicContact CZ3-CD2 4.11Å; W216-F236 HydrophobicContact CZ3-CE2 4.5Å; W216-F236 HydrophobicContact CZ3-CG 4.35Å; I228-F236 HydrophobicContact CG2-CD2 3.74Å; N230-F236 WeakPolarHBondContact O-CD2 3.4Å; D233-F236 HydrophobicContact CB-CB 4.46Å; D233-F236 WeakPolarHBondContact O-CB 3.29Å; D233-F236 PolarHBondContact O-N 3.28Å; P234-F236 VanDerWaalsContact C-N 3.25Å; P234-F236 PolarHBondContact O-N 2.91Å
237I89.6Confident87.8Confident9 Ų930 Ų305%0.04618%0.178CC..  trans-115.6115.2173.5-58.1175.4000107K56 R57 Y120 G217 R235K56-I237 HydrophobicContact CB-CD1 3.97Å; K56-I237 HydrophobicContact CB-CG1 3.79Å; K56-I237 HydrophobicContact CD-CG1 4.31Å; R57-I237 HydrophobicContact CB-CD1 4.25Å; R57-I237 HydrophobicContact CB-CG2 4.33Å; Y120-I237 HydrophobicContact CD1-CB 4.4Å; Y120-I237 HydrophobicContact CD1-CD1 3.94Å; Y120-I237 HydrophobicContact CE1-CB 3.83Å; Y120-I237 HydrophobicContact CE1-CD1 3.93Å; Y120-I237 HydrophobicContact CE1-CG1 4.45Å; Y120-I237 HydrophobicContact CE1-CG2 3.78Å; G217-I237 PolarHBondContact N-O 3.15Å; R235-I237 PolarHBondContact O-N 3.44Å
238G88.9Confident88.9Confident1 Ų129.9 Ų29.91%0.0118%0.176CC..BIsolated β-bridgetrans-82168-177.500000113.7L215 W240L215-G238 CarbonylContact O-C 3.42Å; L215-G238 VanDerWaalsContact O-CA 3.27Å; L215-G238 WeakPolarHBondContact O-CA 3.46Å; G238-W240 PolarHBondContact O-N 2.93Å
239M91.7Very high89.7Confident26 Ų2634.6 Ų34.613%0.12820%0.197CC..  trans-69.972175.7-61.7-17691.200112.5M212 L215 W216 W241 I242M212-M239 PolarHBondContact O-N 2.94Å; L215-M239 HydrophobicContact CB-CG 3.96Å; L215-M239 HydrophobicContact CB-SD 3.61Å; L215-M239 HydrophobicContact CD1-SD 4.15Å; L215-M239 PolarHBondContact O-N 3.12Å; L215-M239 VanDerWaalsContact O-N 3.09Å; W216-M239 WeakPolarHBondContact O-CG 3.36Å; M239-W241 HydrophobicContact CE-CH2 4.24Å; M239-W241 HydrophobicContact CE-CZ2 3.77Å; M239-I242 HydrophobicContact CB-CG2 4.46Å; M239-I242 HydrophobicContact CE-CD1 4.39Å
240W92.8Very high90.7Very high0 Ų032.7 Ų32.70%019%0.188CC..  trans-70.3-31.7-174.663.9-89000113.5I54 F58 V110 E114 L156 L213 G238 F244I54-W240 HydrophobicContact CD1-CE3 3.84Å; I54-W240 HydrophobicContact CD1-CZ3 3.86Å; I54-W240 HydrophobicContact CG1-CD2 3.93Å; I54-W240 HydrophobicContact CG1-CE3 3.72Å; I54-W240 HydrophobicContact CG1-CH2 4.35Å; I54-W240 HydrophobicContact CG1-CZ3 3.91Å; F58-W240 HydrophobicContact CE2-CH2 4.18Å; F58-W240 AromaticContact CE2-CZ2 3.81Å; F58-W240 HydrophobicContact CE2-CZ2 3.81Å; F58-W240 HydrophobicContact CZ-CH2 4.5Å; F58-W240 AromaticContact CZ-CZ2 3.97Å; F58-W240 HydrophobicContact CZ-CZ2 3.97Å; V110-W240 HydrophobicContact CG1-CE3 4.47Å; V110-W240 HydrophobicContact CG1-CH2 4.24Å; V110-W240 HydrophobicContact CG1-CZ3 3.54Å; V110-W240 WeakPolarHBondContact O-CH2 3.27Å; E114-W240 HydrophobicContact CB-CZ2 4.14Å; L156-W240 HydrophobicContact CD2-CH2 4.17Å; L156-W240 HydrophobicContact CD2-CZ3 4.36Å; L213-W240 HydrophobicContact CD2-CB 4.02Å; G238-W240 PolarHBondContact O-N 2.93Å; W240-F244 HydrophobicContact CE3-CE2 4.27Å; W240-F244 WeakPolarHBondContact O-CD2 3.39Å
241W93.3Very high91.2Very high28 Ų2828.4 Ų28.411%0.10617%0.166CC..SBendtrans-77.3-25.3-173.555-98.2000114.5I111 E114 M239 G243 F244 V245I111-W241 HydrophobicContact CD1-CD2 3.88Å; I111-W241 HydrophobicContact CD1-CE3 3.27Å; I111-W241 HydrophobicContact CD1-CH2 4.45Å; I111-W241 HydrophobicContact CD1-CZ3 3.61Å; I111-W241 HydrophobicContact CG1-CB 4.13Å; I111-W241 HydrophobicContact CG1-CD2 4.06Å; I111-W241 HydrophobicContact CG1-CE3 3.9Å; I111-W241 HydrophobicContact CG1-CG 4.18Å; E114-W241 HydrophobicContact CG-CG 4.41Å; M239-W241 HydrophobicContact CE-CH2 4.24Å; M239-W241 HydrophobicContact CE-CZ2 3.77Å; W241-G243 VanDerWaalsContact C-N 3.32Å; W241-G243 PolarHBondContact O-N 3.37Å; W241-F244 WeakPolarHBondContact O-CB 2.94Å; W241-F244 PolarHBondContact O-N 3.41Å; W241-F244 VanDerWaalsContact O-N 3.14Å; W241-V245 HydrophobicContact CE3-CG2 4.3Å; W241-V245 PolarHBondContact O-N 2.83Å
242I93Very high91.8Very high47 Ų4729 Ų2924%0.24117%0.166CC..Hα-helixtrans-64.2-37.1-169.2-156.1169.6000112.5M212 M239 F244 V245 V246M212-I242 HydrophobicContact CB-CG2 3.91Å; M212-I242 HydrophobicContact CG-CG2 3.73Å; M212-I242 HydrophobicContact SD-CG2 4.14Å; M239-I242 HydrophobicContact CB-CG2 4.46Å; M239-I242 HydrophobicContact CE-CD1 4.39Å; I242-F244 VanDerWaalsContact C-N 3.29Å; I242-F244 PolarHBondContact O-N 2.9Å; I242-V245 PolarHBondContact O-N 2.95Å; I242-V246 WeakPolarHBondContact O-CG2 3.31Å; I242-V246 PolarHBondContact O-N 2.81Å; I242-V246 VanDerWaalsContact O-N 3.08Å
243G93.6Very high92.4Very high13 Ų1333.5 Ų33.513%0.13417%0.173CC..Hα-helixtrans-62-38.5178.200000112L46 W241 C247L46-G243 WeakPolarHBondContact CD1-O 3.5Å; W241-G243 VanDerWaalsContact C-N 3.32Å; W241-G243 PolarHBondContact O-N 3.37Å; G243-C247 WeakPolarHBondContact O-CB 3.11Å; G243-C247 PolarHBondContact O-N 3.21Å; G243-C247 PolarHBondContact O-SG 3.26Å
244F95.9Very high92.9Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-68-39.9179.6-69.5-80.8000111.9I42 L46 V47 S50 S107 V110 W240 W241 I242 G248I42-F244 HydrophobicContact CG2-CD1 4.3Å; I42-F244 HydrophobicContact CG2-CE1 4.44Å; L46-F244 VanDerWaalsContact C-CZ 3.44Å; L46-F244 HydrophobicContact CB-CD1 4.01Å; L46-F244 HydrophobicContact CB-CD2 4.33Å; L46-F244 HydrophobicContact CB-CE1 3.54Å; L46-F244 HydrophobicContact CB-CE2 3.91Å; L46-F244 HydrophobicContact CB-CG 4.39Å; L46-F244 HydrophobicContact CB-CZ 3.5Å; L46-F244 HydrophobicContact CD1-CD1 3.98Å; L46-F244 HydrophobicContact CD1-CE1 4.36Å; L46-F244 HydrophobicContact CD1-CG 4.1Å; V47-F244 HydrophobicContact CG2-CE1 4Å; V47-F244 HydrophobicContact CG2-CZ 4.1Å; S50-F244 WeakPolarHBondContact OG-CE2 3.41Å; S107-F244 WeakPolarHBondContact O-CB 3.43Å; S107-F244 PolarHBondContact OG-O 3.32Å; V110-F244 HydrophobicContact CB-CB 4.18Å; V110-F244 HydrophobicContact CB-CD1 4.39Å; V110-F244 HydrophobicContact CB-CG 4.14Å; V110-F244 HydrophobicContact CG1-CB 4.32Å; V110-F244 HydrophobicContact CG1-CD1 4.24Å; V110-F244 HydrophobicContact CG1-CD2 3.78Å; V110-F244 HydrophobicContact CG1-CE1 4.48Å; V110-F244 HydrophobicContact CG1-CE2 4.03Å; V110-F244 HydrophobicContact CG1-CG 3.87Å; V110-F244 HydrophobicContact CG1-CZ 4.36Å; V110-F244 HydrophobicContact CG2-CD1 4.08Å; V110-F244 HydrophobicContact CG2-CE1 4.47Å; V110-F244 HydrophobicContact CG2-CG 4.34Å; W240-F244 HydrophobicContact CE3-CE2 4.27Å; W240-F244 WeakPolarHBondContact O-CD2 3.39Å; W241-F244 WeakPolarHBondContact O-CB 2.94Å; W241-F244 PolarHBondContact O-N 3.41Å; W241-F244 VanDerWaalsContact O-N 3.14Å; I242-F244 VanDerWaalsContact C-N 3.29Å; I242-F244 PolarHBondContact O-N 2.9Å; F244-G248 WeakPolarHBondContact O-CA 3.34Å; F244-G248 PolarHBondContact O-N 3.23Å
245V95.9Very high93.5Very high26 Ų2633.5 Ų33.516%0.15817%0.173CC..Hα-helixtrans-65.6-49.3177.3176.70000110.9I111 W241 I242 G248 F249I111-V245 HydrophobicContact CB-CG2 4.05Å; I111-V245 HydrophobicContact CD1-CG2 3.74Å; I111-V245 HydrophobicContact CG1-CG2 4.37Å; I111-V245 HydrophobicContact CG2-CG2 4.45Å; W241-V245 HydrophobicContact CE3-CG2 4.3Å; W241-V245 PolarHBondContact O-N 2.83Å; I242-V245 PolarHBondContact O-N 2.95Å; V245-G248 PolarHBondContact O-N 3.35Å; V245-F249 HydrophobicContact CG1-CD2 3.81Å; V245-F249 HydrophobicContact CG1-CE2 3.54Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.43Å; V245-F249 PolarHBondContact O-N 2.83Å
246V95.4Very high93.9Very high86 Ų8638.1 Ų38.152%0.52119%0.194SC..Hα-helixtrans-60.5-50.2179.5173.60000110.7I242 G248 F249 V250I242-V246 WeakPolarHBondContact O-CG2 3.31Å; I242-V246 PolarHBondContact O-N 2.81Å; I242-V246 VanDerWaalsContact O-N 3.08Å; V246-G248 VanDerWaalsContact C-N 3.27Å; V246-G248 PolarHBondContact O-N 3.43Å; V246-F249 PolarHBondContact O-N 2.99Å; V246-V250 VanDerWaalsContact O-CG2 3.31Å; V246-V250 WeakPolarHBondContact O-CG2 3.34Å; V246-V250 PolarHBondContact O-N 3.41Å; V246-V250 VanDerWaalsContact O-N 3.1Å
247C96.2Very high94Very high23 Ų2339 Ų3916%0.15520%0.202CC..Hα-helixtrans-64.3-33.8178.5-65.90000112.3I42 L46 G243 V250 A251I42-C247 HydrophobicContact CD1-CB 3.94Å; I42-C247 HydrophobicContact CG1-CB 3.6Å; L46-C247 HydrophobicContact CD1-CB 4.25Å; G243-C247 WeakPolarHBondContact O-CB 3.11Å; G243-C247 PolarHBondContact O-N 3.21Å; G243-C247 PolarHBondContact O-SG 3.26Å; C247-V250 PolarHBondContact O-N 2.96Å; C247-A251 VanDerWaalsContact O-CB 3.31Å; C247-A251 WeakPolarHBondContact O-CB 3.41Å; C247-A251 PolarHBondContact O-N 3.25Å
248G97Very high94Very high0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-63.2-46.9177.400000112.7G104 F244 V245 V246 A251 L252G104-G248 WeakPolarHBondContact CA-O 3.46Å; F244-G248 WeakPolarHBondContact O-CA 3.34Å; F244-G248 PolarHBondContact O-N 3.23Å; V245-G248 PolarHBondContact O-N 3.35Å; V246-G248 VanDerWaalsContact C-N 3.27Å; V246-G248 PolarHBondContact O-N 3.43Å; G248-A251 PolarHBondContact O-N 3.47Å; G248-L252 WeakPolarHBondContact O-CG 3.45Å; G248-L252 PolarHBondContact O-N 3.31Å; G248-L252 VanDerWaalsContact O-N 3.12Å
249F97.3Very high94.1Very high104 Ų10439.4 Ų39.446%0.45620%0.203SC..Hα-helixtrans-62.7-44.8173.8-77-65.5000112I108 V245 V246 A251 L252 F253I108-F249 HydrophobicContact CD1-CD1 4.18Å; I108-F249 HydrophobicContact CD1-CE1 4.11Å; I108-F249 HydrophobicContact CD1-CE2 4.45Å; I108-F249 HydrophobicContact CD1-CG 4.38Å; I108-F249 HydrophobicContact CD1-CZ 4.24Å; V245-F249 HydrophobicContact CG1-CD2 3.81Å; V245-F249 HydrophobicContact CG1-CE2 3.54Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.43Å; V245-F249 PolarHBondContact O-N 2.83Å; V246-F249 PolarHBondContact O-N 2.99Å; F249-A251 VanDerWaalsContact C-N 3.31Å; F249-A251 PolarHBondContact O-N 2.86Å; F249-L252 HydrophobicContact CD1-CD1 4.5Å; F249-L252 WeakPolarHBondContact O-CB 3.13Å; F249-L252 PolarHBondContact O-N 3.44Å; F249-F253 WeakPolarHBondContact O-CD2 3.45Å; F249-F253 PolarHBondContact O-N 3.33Å
250V96.6Very high94Very high62 Ų6238.8 Ų38.838%0.37620%0.2SC..Hα-helixtrans-61.4-41.4178.41800000111L38 V246 C247 L252 F253 T254L38-V250 HydrophobicContact CD1-CG1 3.76Å; L38-V250 HydrophobicContact CD2-CB 4.02Å; L38-V250 HydrophobicContact CD2-CG1 3.68Å; L38-V250 HydrophobicContact CG-CG1 4.35Å; V246-V250 VanDerWaalsContact O-CG2 3.31Å; V246-V250 WeakPolarHBondContact O-CG2 3.34Å; V246-V250 PolarHBondContact O-N 3.41Å; V246-V250 VanDerWaalsContact O-N 3.1Å; C247-V250 PolarHBondContact O-N 2.96Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.91Å; V250-F253 PolarHBondContact O-N 2.88Å; V250-F253 VanDerWaalsContact O-N 3.17Å; V250-T254 HydrophobicContact CG1-CG2 4.18Å; V250-T254 WeakPolarHBondContact O-CG2 3.17Å; V250-T254 PolarHBondContact O-N 2.88Å; V250-T254 PolarHBondContact O-OG1 3.35Å
251A96Very high93.7Very high0 Ų038.9 Ų38.90%020%0.201CC..Hα-helixtrans-60.8-39.7176.100000112.7M100 C247 G248 F249 F253 T254 A255M100-A251 HydrophobicContact CE-CB 4.4Å; C247-A251 VanDerWaalsContact O-CB 3.31Å; C247-A251 WeakPolarHBondContact O-CB 3.41Å; C247-A251 PolarHBondContact O-N 3.25Å; G248-A251 PolarHBondContact O-N 3.47Å; F249-A251 VanDerWaalsContact C-N 3.31Å; F249-A251 PolarHBondContact O-N 2.86Å; A251-F253 VanDerWaalsContact C-N 3.34Å; A251-F253 PolarHBondContact O-N 3.43Å; A251-T254 PolarHBondContact O-N 2.93Å; A251-T254 PolarHBondContact O-OG1 3.04Å; A251-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.47Å
252L96Very high93.2Very high50 Ų5037.7 Ų37.726%0.26220%0.197SC..Hα-helixtrans-60.9-42.8174.3-69.6171.9000111.7M101 I105 I108 G248 F249 V250M101-L252 HydrophobicContact CB-CD2 4.37Å; M101-L252 WeakPolarHBondContact O-CD2 3.26Å; I105-L252 HydrophobicContact CG1-CD2 4.17Å; I108-L252 HydrophobicContact CD1-CD1 3.93Å; G248-L252 WeakPolarHBondContact O-CG 3.45Å; G248-L252 PolarHBondContact O-N 3.31Å; G248-L252 VanDerWaalsContact O-N 3.12Å; F249-L252 HydrophobicContact CD1-CD1 4.5Å; F249-L252 WeakPolarHBondContact O-CB 3.13Å; F249-L252 PolarHBondContact O-N 3.44Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.91Å
253F95.1Very high92.7Very high159 Ų15939.6 Ų39.670%0.69720%0.203SC*.Hα-helixtrans-68.8-42.5178.1-73.2-67.9000112.6F249 V250 A251 A255 P257F249-F253 WeakPolarHBondContact O-CD2 3.45Å; F249-F253 PolarHBondContact O-N 3.33Å; V250-F253 PolarHBondContact O-N 2.88Å; V250-F253 VanDerWaalsContact O-N 3.17Å; A251-F253 VanDerWaalsContact C-N 3.34Å; A251-F253 PolarHBondContact O-N 3.43Å; F253-A255 VanDerWaalsContact C-N 3.33Å; F253-A255 PolarHBondContact O-N 2.89Å; F253-P257 WeakPolarHBondContact O-CD 3.48Å
254T93.7Very high92Very high33 Ų3342.5 Ų42.520%0.20221%0.21CC..Hα-helixtrans-76.8-18.4-17959.30000113.9N35 L38 V250 A251 P257N35-T254 PolarHBondContact ND2-O 3.13Å; N35-T254 PolarHBondContact OD1-OG1 3.4Å; L38-T254 HydrophobicContact CD1-CG2 3.79Å; L38-T254 WeakPolarHBondContact CD1-OG1 3.43Å; V250-T254 HydrophobicContact CG1-CG2 4.18Å; V250-T254 WeakPolarHBondContact O-CG2 3.17Å; V250-T254 PolarHBondContact O-N 2.88Å; V250-T254 PolarHBondContact O-OG1 3.35Å; A251-T254 PolarHBondContact O-N 2.93Å; A251-T254 PolarHBondContact O-OG1 3.04Å; T254-P257 WeakPolarHBondContact O-CD 3.31Å
255A94.2Very high91.5Very high0 Ų042.5 Ų42.50%021%0.21CC..Hα-helixtrans-73-32.4174.800000112.6M100 M101 A251 F253 L258 I259M100-A255 HydrophobicContact CB-CB 3.71Å; M101-A255 HydrophobicContact CG-CB 3.63Å; A251-A255 WeakPolarHBondContact O-CB 3.49Å; A251-A255 PolarHBondContact O-N 3.47Å; F253-A255 VanDerWaalsContact C-N 3.33Å; F253-A255 PolarHBondContact O-N 2.89Å; A255-L258 WeakPolarHBondContact O-CB 3.08Å; A255-L258 PolarHBondContact O-N 3.48Å; A255-L258 VanDerWaalsContact O-N 3.11Å; A255-I259 PolarHBondContact O-N 3.4Å
256F91.6Very high90.6Very high118 Ų11846.4 Ų46.452%0.51823%0.225SC..Hα-helixtrans-59-45.3-174.6-176.4-101.4000113.8L258 I259 M260F256-L258 VanDerWaalsContact C-N 3.31Å; F256-L258 PolarHBondContact O-N 3.5Å; F256-I259 PolarHBondContact O-N 2.88Å; F256-M260 HydrophobicContact CD1-CE 3.95Å; F256-M260 HydrophobicContact CE1-CE 3.13Å; F256-M260 HydrophobicContact CE1-SD 4.33Å; F256-M260 HydrophobicContact CE2-CE 4.11Å; F256-M260 HydrophobicContact CZ-CE 3.23Å
257P90.2Very high89.9Confident35 Ų3545.3 Ų45.323%0.22722%0.216CC..Hα-helixtrans-59.5-36.9174.2-26.135.2000113.9I31 F253 T254 I259 M260 F261I31-P257 HydrophobicContact CD1-CB 3.93Å; I31-P257 HydrophobicContact CG2-CB 4.25Å; F253-P257 WeakPolarHBondContact O-CD 3.48Å; T254-P257 WeakPolarHBondContact O-CD 3.31Å; P257-I259 VanDerWaalsContact C-N 3.27Å; P257-I259 PolarHBondContact O-N 3.39Å; P257-M260 WeakPolarHBondContact O-CB 3.16Å; P257-M260 PolarHBondContact O-N 2.81Å; P257-M260 VanDerWaalsContact O-N 3.12Å; P257-F261 WeakPolarHBondContact O-CD2 3.22Å
258L90.4Very high89.1Confident0 Ų044.9 Ų44.90%021%0.213CC..Hα-helixtrans-61.4-34.8-178.2-72.8175.1000112.5I31 N35 V93 I96 A255 F256 M260 F261I31-L258 HydrophobicContact CB-CD2 4.49Å; I31-L258 HydrophobicContact CG2-CD1 4.5Å; I31-L258 HydrophobicContact CG2-CD2 3.68Å; I31-L258 HydrophobicContact CG2-CG 3.71Å; N35-L258 HydrophobicContact CB-CD1 4.21Å; N35-L258 VanDerWaalsContact ND2-CD1 3.34Å; N35-L258 WeakPolarHBondContact ND2-CD1 3.43Å; V93-L258 HydrophobicContact CG1-CD2 4.45Å; I96-L258 HydrophobicContact CG2-CD1 3.94Å; A255-L258 WeakPolarHBondContact O-CB 3.08Å; A255-L258 PolarHBondContact O-N 3.48Å; A255-L258 VanDerWaalsContact O-N 3.11Å; F256-L258 VanDerWaalsContact C-N 3.31Å; F256-L258 PolarHBondContact O-N 3.5Å; L258-M260 PolarHBondContact O-N 2.86Å; L258-F261 HydrophobicContact CD2-CD2 4.43Å; L258-F261 PolarHBondContact O-N 3.24Å
259I90.9Very high88.1Confident17 Ų1748.6 Ų48.69%0.08724%0.236CC..Hα-helixtrans-68.7-24.9-179.5-58.1170.9000111.6F11 L98 M101 A255 F256 P257F11-I259 HydrophobicContact CE1-CG2 3.93Å; F11-I259 HydrophobicContact CZ-CB 4.41Å; F11-I259 HydrophobicContact CZ-CG2 3.59Å; L98-I259 HydrophobicContact CD2-CD1 4.09Å; M101-I259 HydrophobicContact CG-CD1 4.19Å; M101-I259 HydrophobicContact SD-CD1 3.35Å; M101-I259 WeakPolarHBondContact SD-CD1 3.47Å; A255-I259 PolarHBondContact O-N 3.4Å; F256-I259 PolarHBondContact O-N 2.88Å; P257-I259 VanDerWaalsContact C-N 3.27Å; P257-I259 PolarHBondContact O-N 3.39Å
260M88.5Confident87.4Confident14 Ų1448.6 Ų48.67%0.06924%0.244CC..THydrogen-bonded Turntrans-84.7-11.9179.7-65.1-174178.100113.9F9 G10 F11 F256 P257 L258F9-M260 HydrophobicContact CD1-CB 4.26Å; F9-M260 HydrophobicContact CD2-CB 4.17Å; F9-M260 WeakPolarHBondContact CD2-O 3.35Å; F9-M260 HydrophobicContact CE1-CB 3.7Å; F9-M260 HydrophobicContact CE1-CG 4.38Å; F9-M260 HydrophobicContact CE1-SD 3.73Å; F9-M260 HydrophobicContact CE2-CB 3.6Å; F9-M260 HydrophobicContact CG-CB 4.47Å; F9-M260 HydrophobicContact CZ-CB 3.34Å; F9-M260 HydrophobicContact CZ-CG 4.23Å; F9-M260 HydrophobicContact CZ-SD 3.93Å; G10-M260 PolarHBondContact N-O 2.67Å; F11-M260 HydrophobicContact CD2-CE 3.87Å; F11-M260 HydrophobicContact CD2-CG 4.02Å; F11-M260 HydrophobicContact CE2-CE 3.74Å; F11-M260 HydrophobicContact CE2-CG 3.84Å; F256-M260 HydrophobicContact CD1-CE 3.95Å; F256-M260 HydrophobicContact CE1-CE 3.13Å; F256-M260 HydrophobicContact CE1-SD 4.33Å; F256-M260 HydrophobicContact CE2-CE 4.11Å; F256-M260 HydrophobicContact CZ-CE 3.23Å; P257-M260 WeakPolarHBondContact O-CB 3.16Å; P257-M260 PolarHBondContact O-N 2.81Å; P257-M260 VanDerWaalsContact O-N 3.12Å; L258-M260 PolarHBondContact O-N 2.86Å
261F87.3Confident86.6Confident1 Ų148.2 Ų48.20%0.00424%0.236CC..SBendtrans-68.9144.5-179.4-86.3-90.9000112.6F9 L22 F28 I31 V93 P257 L258 L265F9-F261 HydrophobicContact CD2-CD1 4.29Å; F9-F261 HydrophobicContact CD2-CD2 4.37Å; F9-F261 HydrophobicContact CD2-CG 4.21Å; F9-F261 HydrophobicContact CE2-CD1 4.41Å; F9-F261 AromaticContact CE2-CD2 3.75Å; F9-F261 HydrophobicContact CE2-CD2 3.75Å; F9-F261 HydrophobicContact CE2-CE1 4.49Å; F9-F261 AromaticContact CE2-CE2 3.84Å; F9-F261 HydrophobicContact CE2-CE2 3.84Å; F9-F261 HydrophobicContact CE2-CG 4.05Å; F9-F261 HydrophobicContact CE2-CZ 4.21Å; L22-F261 WeakPolarHBondContact O-CE1 3.14Å; L22-F261 WeakPolarHBondContact O-CZ 3.22Å; F28-F261 HydrophobicContact CB-CD1 4.22Å; F28-F261 HydrophobicContact CB-CE1 3.56Å; F28-F261 HydrophobicContact CB-CZ 4.05Å; F28-F261 AromaticContact CD2-CD1 3.88Å; F28-F261 HydrophobicContact CD2-CD1 3.88Å; F28-F261 AromaticContact CD2-CE1 3.95Å; F28-F261 HydrophobicContact CD2-CE1 3.95Å; F28-F261 HydrophobicContact CD2-CG 4.22Å; F28-F261 HydrophobicContact CD2-CZ 4.37Å; F28-F261 HydrophobicContact CG-CE1 4.25Å; I31-F261 HydrophobicContact CD1-CE2 3.75Å; I31-F261 HydrophobicContact CD1-CZ 3.89Å; V93-F261 HydrophobicContact CB-CB 4.32Å; V93-F261 HydrophobicContact CG1-CB 3.5Å; V93-F261 VanDerWaalsContact CG1-CB 3.5Å; V93-F261 HydrophobicContact CG1-CG 4.23Å; P257-F261 WeakPolarHBondContact O-CD2 3.22Å; L258-F261 HydrophobicContact CD2-CD2 4.43Å; L258-F261 PolarHBondContact O-N 3.24Å; F261-L265 HydrophobicContact CD1-CD2 3.82Å; F261-L265 HydrophobicContact CE1-CD2 4.26Å
262P82.8Confident85.8Confident4 Ų450.5 Ų50.53%0.02625%0.246CC..  trans-73166.9177.332.4-37.2000112.9T7 R264 L265T7-P262 WeakPolarHBondContact O-CB 3.35Å; T7-P262 WeakPolarHBondContact O-CG 3.47Å; T7-P262 WeakPolarHBondContact OG1-CA 3.37Å; T7-P262 WeakPolarHBondContact OG1-CB 3.37Å; P262-R264 VanDerWaalsContact C-N 3.31Å; P262-R264 WeakPolarHBondContact CG-O 3.46Å; P262-R264 PolarHBondContact O-N 2.78Å; P262-L265 HydrophobicContact CG-CD2 4.24Å
263K82.1Confident84.7Confident87 Ų8751.7 Ų51.738%0.37826%0.263SS..SBendtrans-66.7-33.4178.8-172.1179.9-179.8-1760112.3
264R80Confident83.6Confident74 Ų7450.2 Ų50.228%0.27926%0.262SS..SBendtrans-129.7138.8172.8-67.3-171.9179.1164.24.4109.1D5 P262D5-R264 HydrophobicContact CB-CG 4.41Å; D5-R264 IonicContact OD2-CZ 2.63Å; D5-R264 IonicContact OD2-NE 3.54Å; D5-R264 IonicContact OD2-NH1 3.29Å; D5-R264 PolarHBondContact OD2-NH1 3.47Å; D5-R264 IonicContact OD2-NH2 3.98Å; D5-R264 PolarHBondContact OD2-NH2 3.42Å; P262-R264 VanDerWaalsContact C-N 3.31Å; P262-R264 WeakPolarHBondContact CG-O 3.46Å; P262-R264 PolarHBondContact O-N 2.78Å
265L83.6Confident82.6Confident0 Ų049.3 Ų49.30%026%0.256CS..  trans-80.3157.7175.2-60.3-179000110.4S23 F25 F28 F181 F261 P262 T268S23-L265 WeakPolarHBondContact O-CD2 3.37Å; F25-L265 HydrophobicContact CB-CD1 4.4Å; F25-L265 HydrophobicContact CD2-CD1 4.2Å; F28-L265 HydrophobicContact CB-CD1 3.73Å; F28-L265 HydrophobicContact CB-CD2 4.37Å; F28-L265 HydrophobicContact CD1-CD1 3.87Å; F28-L265 HydrophobicContact CG-CD1 3.78Å; F181-L265 HydrophobicContact CB-CD1 3.9Å; F181-L265 HydrophobicContact CB-CG 4.43Å; F181-L265 HydrophobicContact CD1-CG 4.35Å; F181-L265 HydrophobicContact CD2-CD1 3.54Å; F181-L265 HydrophobicContact CD2-CG 3.82Å; F181-L265 HydrophobicContact CE2-CD1 4.2Å; F181-L265 HydrophobicContact CE2-CG 4.1Å; F181-L265 HydrophobicContact CG-CD1 3.81Å; F181-L265 HydrophobicContact CG-CG 3.96Å; F181-L265 HydrophobicContact CZ-CG 4.49Å; F261-L265 HydrophobicContact CD1-CD2 3.82Å; F261-L265 HydrophobicContact CE1-CD2 4.26Å; P262-L265 HydrophobicContact CG-CD2 4.24Å; L265-T268 WeakPolarHBondContact O-CB 3.28Å; L265-T268 PolarHBondContact O-N 3.46Å; L265-T268 PolarHBondContact O-OG1 3.29Å
266K77.9Confident81.1Confident107 Ų10753.9 Ų53.947%0.46528%0.284SS..THydrogen-bonded Turntrans-59142.5174.4-167.2-177.9173.9-176.30111.3T268 R271K266-T268 PolarHBondContact O-N 3.34Å; K266-R271 PolarHBondContact O-NH1 3.34Å
267D79.9Confident79.9Confident63 Ų6353.9 Ų53.934%0.33729%0.285SS..THydrogen-bonded Turntrans65.815.2177.8-46.5-43.3000114.9T269 V270 R271D267-T269 VanDerWaalsContact C-N 3.3Å; D267-T269 PolarHBondContact O-N 3.02Å; D267-V270 PolarHBondContact O-N 3.07Å; D267-R271 WeakPolarHBondContact O-CG 3.38Å; D267-R271 PolarHBondContact O-N 3.14Å
268T79.8Confident78.4Confident15 Ų1557 Ų579%0.09229%0.292CS..Hα-helixtrans-61-40.5-179.7-61.80000111.5E180 F181 L265 K266 R271 K272E180-T268 WeakPolarHBondContact O-CG2 3.4Å; F181-T268 HydrophobicContact CD1-CG2 4.44Å; L265-T268 WeakPolarHBondContact O-CB 3.28Å; L265-T268 PolarHBondContact O-N 3.46Å; L265-T268 PolarHBondContact O-OG1 3.29Å; K266-T268 PolarHBondContact O-N 3.34Å; T268-R271 PolarHBondContact O-N 3.1Å; T268-K272 PolarHBondContact O-N 2.9Å
269T77.3Confident77.5Confident77 Ų7757.2 Ų57.247%0.47229%0.294SS..Hα-helixtrans-60.9-45.2177.847.80000111.9D267 K272 A273D267-T269 VanDerWaalsContact C-N 3.3Å; D267-T269 PolarHBondContact O-N 3.02Å; T269-K272 PolarHBondContact O-N 3.25Å; T269-A273 PolarHBondContact O-N 3.33Å
270V80.7Confident76.4Confident104 Ų10456.8 Ų56.863%0.6329%0.292SS*.Hα-helixtrans-63.1-43.8178-178.10000110.9D267 K272 A273D267-V270 PolarHBondContact O-N 3.07Å; V270-K272 PolarHBondContact O-N 3.08Å; V270-A273 PolarHBondContact O-N 3.49Å
271R80Confident75.3Confident55 Ų5558.5 Ų58.521%0.20831%0.308CS..Hα-helixtrans-63.6-30179.1-69.6-178.6-169.7120.912.7112.8S183 K266 D267 T268S183-R271 VanDerWaalsContact CB-O 3.25Å; S183-R271 WeakPolarHBondContact CB-O 3.43Å; K266-R271 PolarHBondContact O-NH1 3.34Å; D267-R271 WeakPolarHBondContact O-CG 3.38Å; D267-R271 PolarHBondContact O-N 3.14Å; T268-R271 PolarHBondContact O-N 3.1Å
272K78.9Confident74.6Confident48 Ų4860.9 Ų60.921%0.20933%0.325CS..Hα-helixtrans-93.8-6.9-176.3-72.5-159.5155.2-166.50115.9D179 E180 D182 T268 T269 V270 N274 D275 H520D179-K272 WeakPolarHBondContact O-CE 3.37Å; D179-K272 PolarHBondContact O-NZ 2.93Å; E180-K272 VanDerWaalsContact CA-NZ 3.26Å; E180-K272 WeakPolarHBondContact O-CE 3.15Å; E180-K272 PolarHBondContact O-NZ 3.1Å; D182-K272 WeakPolarHBondContact O-CE 3.38Å; T268-K272 PolarHBondContact O-N 2.9Å; T269-K272 PolarHBondContact O-N 3.25Å; V270-K272 PolarHBondContact O-N 3.08Å; K272-N274 PolarHBondContact O-N 2.87Å; K272-N274 VanDerWaalsContact O-N 3.1Å; K272-D275 PolarHBondContact O-N 3.48Å; K272-H520 PolarHBondContact NZ-NE2 2.78Å
273A74.3Confident74.2Confident75 Ų7560.7 Ų60.762%0.6232%0.324SS*.THydrogen-bonded Turntrans-58-29-174.100000114.5T269 V270T269-A273 PolarHBondContact O-N 3.33Å; V270-A273 PolarHBondContact O-N 3.49Å
274N71.7Confident73.7Confident128 Ų12858.5 Ų58.568%0.68432%0.316SS*.THydrogen-bonded Turntrans-105.313.1-172.3-72.2-31.7000114.9K272K272-N274 PolarHBondContact O-N 2.87Å; K272-N274 VanDerWaalsContact O-N 3.1Å
275D72.5Confident73.4Confident14 Ų1460.6 Ų60.68%0.07533%0.327CS..  trans-76.8130.9-174.6-78-7.6000111.7S183 H184 K272S183-D275 PolarHBondContact OG-OD1 3.26Å; H184-D275 HydrophobicContact CB-CB 4.31Å; H184-D275 VanDerWaalsContact CD2-CB 3.48Å; H184-D275 WeakPolarHBondContact CD2-CB 3.35Å; H184-D275 IonicContact CD2-OD2 2.89Å; H184-D275 PolarHBondContact CD2-OD2 3.46Å; H184-D275 IonicContact CG-OD2 2.96Å; H184-D275 PolarHBondContact N-OD1 3.37Å; H184-D275 PolarHBondContact N-OD2 2.9Å; H184-D275 VanDerWaalsContact N-OD2 3.11Å; H184-D275 IonicContact ND1-OD2 2.63Å; H184-D275 IonicContact NE2-OD2 2.63Å; K272-D275 PolarHBondContact O-N 3.48Å
276V63Low72.9Confident95 Ų9565 Ų6558%0.57635%0.351SS*.  trans-99127.2177.1-178.90000109.4
277H66.1Low72.8Confident118 Ų11861.2 Ų61.255%0.54633%0.334SS..  trans-96.9111.5-177.5-56.5-57.6000111.3H184H184-H277 AromaticContact NE2-CE1 3.96Å
278R59.1Low72.2Confident100 Ų10061 Ų6138%0.37734%0.338SS..  trans-120133.2166.4-77-175161.7-161.1-5.3109.1E602 S606R278-E602 IonicContact NH1-OE2 3.91Å; R278-S606 PolarHBondContact NH2-OG 3.44Å
279T71.5Confident71.7Confident6 Ų668 Ų684%0.03738%0.375CS..  trans-148161.2-172.4520000109.7A281 N519 S603T279-A281 PolarHBondContact O-N 2.92Å; T279-N519 VanDerWaalsContact CG2-CA 3.44Å; T279-N519 HydrophobicContact CG2-CB 3.98Å; T279-S603 VanDerWaalsContact O-CB 3.29Å; T279-S603 WeakPolarHBondContact O-CB 3.05Å; T279-S603 PolarHBondContact O-N 3.4Å; T279-S603 PolarHBondContact O-OG 2.82Å
280D67.1Low71.5Confident7 Ų768.5 Ų68.54%0.03737%0.371CS..BIsolated β-bridgetrans-61131.3166.8-176.4-67.7000109.5S282 L283 D284 N304 V517 Y600D280-S282 PolarHBondContact O-N 2.9Å; D280-S282 VanDerWaalsContact O-N 3.1Å; D280-S282 WeakPolarHBondContact OD1-CB 3.29Å; D280-S282 PolarHBondContact OD1-N 3.29Å; D280-S282 PolarHBondContact OD1-OG 3.22Å; D280-L283 HydrophobicContact CB-CB 4.38Å; D280-L283 HydrophobicContact CB-CD1 4.09Å; D280-L283 HydrophobicContact CB-CG 4.33Å; D280-L283 PolarHBondContact O-N 3.37Å; D280-D284 PolarHBondContact O-N 3.28Å; D280-N304 VanDerWaalsContact CG-ND2 3.29Å; D280-N304 PolarHBondContact OD1-ND2 2.87Å; D280-N304 PolarHBondContact OD2-ND2 3.34Å; D280-V517 HydrophobicContact CB-CG1 3.87Å; D280-V517 VanDerWaalsContact CB-O 3.31Å; D280-V517 WeakPolarHBondContact CB-O 3.35Å; D280-V517 PolarHBondContact N-O 3.35Å; D280-Y600 HydrophobicContact CB-CE2 4.2Å
281A65.8Low71.1Confident50 Ų5072.5 Ų72.541%0.41338%0.38SS..G310 helixtrans-54.5-34.5-173.300000113.4T279 L283T279-A281 PolarHBondContact O-N 2.92Å; A281-L283 VanDerWaalsContact C-N 3.29Å; A281-L283 PolarHBondContact O-N 2.84Å
282S72.5Confident71.2Confident52 Ų5276.7 Ų76.736%0.36440%0.397SS..G310 helixtrans-77.1-16.3-178.469.20000113.8D280 N304D280-S282 PolarHBondContact O-N 2.9Å; D280-S282 VanDerWaalsContact O-N 3.1Å; D280-S282 WeakPolarHBondContact OD1-CB 3.29Å; D280-S282 PolarHBondContact OD1-N 3.29Å; D280-S282 PolarHBondContact OD1-OG 3.22Å; S282-N304 PolarHBondContact OG-ND2 3.48Å
283L74Confident71.3Confident0 Ų076.8 Ų76.80%040%0.398CS..G310 helixtrans-101.21.3-178.1-65.6176.6000113.4D280 A281 K285 M300 L301 N304 C307 V517 V518 N519D280-L283 HydrophobicContact CB-CB 4.38Å; D280-L283 HydrophobicContact CB-CD1 4.09Å; D280-L283 HydrophobicContact CB-CG 4.33Å; D280-L283 PolarHBondContact O-N 3.37Å; A281-L283 VanDerWaalsContact C-N 3.29Å; A281-L283 PolarHBondContact O-N 2.84Å; L283-K285 PolarHBondContact O-N 3.28Å; L283-M300 HydrophobicContact CB-CE 4.49Å; L283-M300 HydrophobicContact CD2-CE 3.65Å; L283-M300 HydrophobicContact CD2-CG 3.87Å; L283-M300 HydrophobicContact CD2-SD 4.08Å; L283-L301 HydrophobicContact CD2-CD2 3.98Å; L283-N304 HydrophobicContact CD2-CB 4.13Å; L283-N304 HydrophobicContact CG-CB 4.42Å; L283-C307 HydrophobicContact CD1-CB 4.47Å; L283-V517 HydrophobicContact CD1-CG1 3.92Å; L283-V517 WeakPolarHBondContact CD1-O 3.3Å; L283-V518 HydrophobicContact CD1-CB 4.5Å; L283-V518 HydrophobicContact CD1-CG2 3.98Å; L283-N519 WeakPolarHBondContact O-CB 3.41Å
284D71.2Confident71.7Confident40 Ų4075.3 Ų75.321%0.21438%0.378CS..  trans-91.339.8178.8-160.829.3000112.9D280 N519 K605D280-D284 PolarHBondContact O-N 3.28Å; D284-N519 PolarHBondContact OD1-ND2 2.8Å; D284-K605 IonicContact OD1-NZ 3.27Å; D284-K605 WeakPolarHBondContact OD2-CD 3.27Å; D284-K605 WeakPolarHBondContact OD2-CE 3.02Å; D284-K605 IonicContact OD2-NZ 3.63Å; D284-K605 PolarHBondContact OD2-NZ 2.9Å
285K73.8Confident72.4Confident119 Ų11975.8 Ų75.852%0.51737%0.374SS..  trans-103.3135178.1-66.1-176.3179.9-179.30110.4L283 F287 M300 H522L283-K285 PolarHBondContact O-N 3.28Å; K285-F287 HydrophobicContact CB-CE1 4.49Å; K285-F287 HydrophobicContact CB-CE2 4.06Å; K285-F287 HydrophobicContact CB-CZ 3.95Å; K285-F287 HydrophobicContact CD-CZ 4.25Å; K285-M300 HydrophobicContact CB-SD 4.04Å; K285-M300 HydrophobicContact CD-SD 4.36Å; K285-M300 HydrophobicContact CG-SD 4.44Å; K285-H522 PolarHBondContact O-NE2 2.9Å
286D73Confident73.2Confident92 Ų9278.9 Ų78.949%0.49239%0.387SS..  trans-94.9131.8176-152.9-5.8000110.5S288 K521D286-S288 PolarHBondContact OD1-OG 2.94Å; D286-K521 VanDerWaalsContact CG-NZ 3.28Å; D286-K521 IonicContact OD1-NZ 3.41Å; D286-K521 PolarHBondContact OD1-NZ 3.37Å; D286-K521 IonicContact OD2-NZ 3.19Å; D286-K521 PolarHBondContact OD2-NZ 3.45Å
287F77Confident74.2Confident28 Ų2874.4 Ų74.412%0.12336%0.36CS..  trans-123.810.4-178.7-62.7-64.9000113K285 D289 H290 E293 K296 I297 M300K285-F287 HydrophobicContact CB-CE1 4.49Å; K285-F287 HydrophobicContact CB-CE2 4.06Å; K285-F287 HydrophobicContact CB-CZ 3.95Å; K285-F287 HydrophobicContact CD-CZ 4.25Å; F287-D289 PolarHBondContact O-N 3.28Å; F287-H290 AromaticContact CD1-CD2 3.76Å; F287-H290 PolarHBondContact O-N 3.45Å; F287-E293 HydrophobicContact CB-CG 4.05Å; F287-K296 HydrophobicContact CD1-CB 4.15Å; F287-K296 HydrophobicContact CD1-CD 3.94Å; F287-K296 HydrophobicContact CD2-CB 4.45Å; F287-K296 HydrophobicContact CE1-CB 4.19Å; F287-K296 HydrophobicContact CE1-CD 4.16Å; F287-K296 HydrophobicContact CE2-CB 4.47Å; F287-K296 HydrophobicContact CG-CB 4.28Å; F287-K296 HydrophobicContact CZ-CB 4.34Å; F287-I297 HydrophobicContact CD2-CG1 3.68Å; F287-I297 HydrophobicContact CE2-CG1 4.37Å; F287-M300 HydrophobicContact CE2-CB 4.3Å; F287-M300 HydrophobicContact CE2-CE 4.09Å; F287-M300 HydrophobicContact CE2-SD 3.6Å; F287-M300 HydrophobicContact CZ-SD 4.08Å
288S66.9Low75.3Confident58 Ų5870.4 Ų70.441%0.40634%0.342SS..THydrogen-bonded Turntrans-55-22.7-171.5-59.70000115.3D286D286-S288 PolarHBondContact OD1-OG 2.94Å
289D68.8Low76.8Confident163 Ų16372.1 Ų72.187%0.87235%0.353SS*.THydrogen-bonded Turntrans-97.15.6-178.6-66.9-27.3000114.2F287F287-D289 PolarHBondContact O-N 3.28Å
290H73.2Confident77.6Confident86 Ų8672.8 Ų72.840%0.39836%0.355SS..  trans-98.9131.3-175.6-69.4-54.4000113.8F287 Y292 E293 K296F287-H290 AromaticContact CD1-CD2 3.76Å; F287-H290 PolarHBondContact O-N 3.45Å; H290-Y292 PolarHBondContact O-N 2.9Å; H290-E293 VanDerWaalsContact O-CB 3.29Å; H290-E293 WeakPolarHBondContact O-CB 3.3Å; H290-E293 PolarHBondContact O-N 2.86Å; H290-K296 HydrophobicContact CB-CD 4.23Å; H290-K296 PolarHBondContact CD2-NZ 3.49Å; H290-K296 VanDerWaalsContact CD2-NZ 3.33Å; H290-K296 PolarHBondContact CE1-NZ 3.44Å; H290-K296 VanDerWaalsContact CE1-NZ 3.26Å; H290-K296 VanDerWaalsContact CG-NZ 3.27Å; H290-K296 PolarHBondContact ND1-NZ 3.31Å; H290-K296 PolarHBondContact NE2-NZ 3.38Å
291K73.2Confident78.7Confident189 Ų18972.4 Ų72.482%0.82235%0.354SS*.THydrogen-bonded Turntrans-53.1-29.5173.3-169.3177.2-178.5-179.20114.1
292Y81Confident79.9Confident143 Ų14375.4 Ų75.456%0.56136%0.358SS*.THydrogen-bonded Turntrans-11337.4177.1-53.9-69.6000111.9H290 F294 F295 K296H290-Y292 PolarHBondContact O-N 2.9Å; Y292-F294 VanDerWaalsContact C-N 3.28Å; Y292-F294 PolarHBondContact O-N 3.17Å; Y292-F295 HydrophobicContact CD1-CD2 4.47Å; Y292-F295 PolarHBondContact O-N 3.21Å; Y292-K296 PolarHBondContact O-N 2.91Å
293E81.5Confident80.8Confident49 Ų4980.6 Ų80.623%0.22937%0.374CS..Hα-helixtrans-46.4-52178176.7176.9-161.300111.4F287 H290 F295 K296 I297F287-E293 HydrophobicContact CB-CG 4.05Å; H290-E293 VanDerWaalsContact O-CB 3.29Å; H290-E293 WeakPolarHBondContact O-CB 3.3Å; H290-E293 PolarHBondContact O-N 2.86Å; E293-F295 PolarHBondContact O-N 3.4Å; E293-K296 PolarHBondContact O-N 3.43Å; E293-I297 HydrophobicContact CG-CD1 3.6Å; E293-I297 HydrophobicContact CG-CG1 4.42Å; E293-I297 VanDerWaalsContact O-CG1 3.28Å; E293-I297 WeakPolarHBondContact O-CG1 3.1Å; E293-I297 PolarHBondContact O-N 3.12Å
294F83.5Confident81.6Confident45 Ų4581.1 Ų81.120%0.19738%0.376CS..Hα-helixtrans-53.4-55.6179.6176.7-101.8000113.2A84 L85 Y292 K296 I297 I298 H525A84-F294 HydrophobicContact CB-CE2 3.78Å; A84-F294 HydrophobicContact CB-CZ 4.4Å; L85-F294 HydrophobicContact CD2-CB 4.39Å; L85-F294 HydrophobicContact CD2-CD1 3.53Å; L85-F294 HydrophobicContact CD2-CD2 3.97Å; L85-F294 HydrophobicContact CD2-CE1 3.67Å; L85-F294 HydrophobicContact CD2-CE2 4.11Å; L85-F294 HydrophobicContact CD2-CG 3.69Å; L85-F294 HydrophobicContact CD2-CZ 3.96Å; L85-F294 HydrophobicContact CG-CZ 4.49Å; Y292-F294 VanDerWaalsContact C-N 3.28Å; Y292-F294 PolarHBondContact O-N 3.17Å; F294-K296 VanDerWaalsContact C-N 3.31Å; F294-K296 PolarHBondContact O-N 2.95Å; F294-I297 PolarHBondContact O-N 3.2Å; F294-I298 HydrophobicContact CD1-CG1 4.46Å; F294-I298 HydrophobicContact CD2-CG1 4.34Å; F294-I298 HydrophobicContact CE1-CG1 4.08Å; F294-I298 HydrophobicContact CE2-CD1 4.14Å; F294-I298 HydrophobicContact CE2-CG1 3.94Å; F294-I298 HydrophobicContact CZ-CD1 4.19Å; F294-I298 HydrophobicContact CZ-CG1 3.8Å; F294-I298 WeakPolarHBondContact O-CG1 3.49Å; F294-I298 PolarHBondContact O-N 3.17Å; F294-H525 AromaticContact CD2-CD2 3.85Å
295F86.9Confident82.6Confident137 Ų13786.4 Ų86.460%0.60140%0.397SS*.Hα-helixtrans-65.1-35.6-177.4-71.4-73.5000112.3Y292 E293 F299Y292-F295 HydrophobicContact CD1-CD2 4.47Å; Y292-F295 PolarHBondContact O-N 3.21Å; E293-F295 PolarHBondContact O-N 3.4Å; F295-F299 VanDerWaalsContact O-CB 3.26Å; F295-F299 WeakPolarHBondContact O-CB 3.31Å; F295-F299 PolarHBondContact O-N 2.95Å
296K87.3Confident83.5Confident80 Ų8080.8 Ų80.835%0.34837%0.373SS..Hα-helixtrans-64.8-42.3175-74.2-174.3176.2-173.40111.7F287 H290 Y292 E293 F294 M300F287-K296 HydrophobicContact CD1-CB 4.15Å; F287-K296 HydrophobicContact CD1-CD 3.94Å; F287-K296 HydrophobicContact CD2-CB 4.45Å; F287-K296 HydrophobicContact CE1-CB 4.19Å; F287-K296 HydrophobicContact CE1-CD 4.16Å; F287-K296 HydrophobicContact CE2-CB 4.47Å; F287-K296 HydrophobicContact CG-CB 4.28Å; F287-K296 HydrophobicContact CZ-CB 4.34Å; H290-K296 HydrophobicContact CB-CD 4.23Å; H290-K296 PolarHBondContact CD2-NZ 3.49Å; H290-K296 VanDerWaalsContact CD2-NZ 3.33Å; H290-K296 PolarHBondContact CE1-NZ 3.44Å; H290-K296 VanDerWaalsContact CE1-NZ 3.26Å; H290-K296 VanDerWaalsContact CG-NZ 3.27Å; H290-K296 PolarHBondContact ND1-NZ 3.31Å; H290-K296 PolarHBondContact NE2-NZ 3.38Å; Y292-K296 PolarHBondContact O-N 2.91Å; E293-K296 PolarHBondContact O-N 3.43Å; F294-K296 VanDerWaalsContact C-N 3.31Å; F294-K296 PolarHBondContact O-N 2.95Å; K296-M300 VanDerWaalsContact O-CB 3.32Å; K296-M300 WeakPolarHBondContact O-CB 3.33Å; K296-M300 PolarHBondContact O-N 3.17Å
297I85.7Confident84.4Confident0 Ų076.5 Ų76.50%035%0.35CS..Hα-helixtrans-63.2-49.8176.8-66164.3000110.3F287 E293 F294 F299 M300 L301 H522 H525F287-I297 HydrophobicContact CD2-CG1 3.68Å; F287-I297 HydrophobicContact CE2-CG1 4.37Å; E293-I297 HydrophobicContact CG-CD1 3.6Å; E293-I297 HydrophobicContact CG-CG1 4.42Å; E293-I297 VanDerWaalsContact O-CG1 3.28Å; E293-I297 WeakPolarHBondContact O-CG1 3.1Å; E293-I297 PolarHBondContact O-N 3.12Å; F294-I297 PolarHBondContact O-N 3.2Å; I297-F299 VanDerWaalsContact C-N 3.33Å; I297-F299 PolarHBondContact O-N 3.47Å; I297-M300 WeakPolarHBondContact O-CB 3.28Å; I297-M300 PolarHBondContact O-N 3.05Å; I297-M300 VanDerWaalsContact O-N 3.15Å; I297-L301 HydrophobicContact CG2-CD1 4.14Å; I297-L301 HydrophobicContact CG2-CG 4.4Å; I297-L301 WeakPolarHBondContact O-CG 3.33Å; I297-L301 PolarHBondContact O-N 3.21Å; I297-H522 WeakPolarHBondContact CD1-ND1 3.1Å; I297-H522 HydrophobicContact CG2-CB 4.23Å; I297-H525 HydrophobicContact CG2-CB 3.7Å
298I88.5Confident85.2Confident35 Ų3576.1 Ų76.118%0.17935%0.349CS..Hα-helixtrans-60.5-43.7179.6-63.7-64.8000111.2F294 M300 L301 F302 F529F294-I298 HydrophobicContact CD1-CG1 4.46Å; F294-I298 HydrophobicContact CD2-CG1 4.34Å; F294-I298 HydrophobicContact CE1-CG1 4.08Å; F294-I298 HydrophobicContact CE2-CD1 4.14Å; F294-I298 HydrophobicContact CE2-CG1 3.94Å; F294-I298 HydrophobicContact CZ-CD1 4.19Å; F294-I298 HydrophobicContact CZ-CG1 3.8Å; F294-I298 WeakPolarHBondContact O-CG1 3.49Å; F294-I298 PolarHBondContact O-N 3.17Å; I298-M300 VanDerWaalsContact C-N 3.32Å; I298-M300 PolarHBondContact O-N 3.35Å; I298-L301 HydrophobicContact CD1-CD1 4.49Å; I298-L301 PolarHBondContact O-N 2.71Å; I298-F302 WeakPolarHBondContact O-CB 3.35Å; I298-F302 PolarHBondContact O-N 3.14Å; I298-F529 HydrophobicContact CD1-CB 4.04Å; I298-F529 HydrophobicContact CD1-CD2 3.81Å; I298-F529 HydrophobicContact CD1-CG 4.12Å; I298-F529 HydrophobicContact CG2-CD2 4.07Å; I298-F529 HydrophobicContact CG2-CE2 3.79Å; I298-F529 HydrophobicContact CG2-CZ 4.49Å
299F90.1Very high86.6Confident136 Ų13674.2 Ų74.260%0.59634%0.336SS*.Hα-helixtrans-64.2-37.3176.6-172.7-99.5000112.4F295 I297 F302 K303F295-F299 VanDerWaalsContact O-CB 3.26Å; F295-F299 WeakPolarHBondContact O-CB 3.31Å; F295-F299 PolarHBondContact O-N 2.95Å; I297-F299 VanDerWaalsContact C-N 3.33Å; I297-F299 PolarHBondContact O-N 3.47Å; F299-F302 PolarHBondContact O-N 3.3Å; F299-K303 HydrophobicContact CE1-CD 4.36Å; F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.09Å
300M89.4Confident87.8Confident19 Ų1966.6 Ų66.69%0.09430%0.295CS..Hα-helixtrans-63.7-45.2174-178.5-171.968.500111.6L283 K285 F287 K296 I297 I298 F302 K303 N304L283-M300 HydrophobicContact CB-CE 4.49Å; L283-M300 HydrophobicContact CD2-CE 3.65Å; L283-M300 HydrophobicContact CD2-CG 3.87Å; L283-M300 HydrophobicContact CD2-SD 4.08Å; K285-M300 HydrophobicContact CB-SD 4.04Å; K285-M300 HydrophobicContact CD-SD 4.36Å; K285-M300 HydrophobicContact CG-SD 4.44Å; F287-M300 HydrophobicContact CE2-CB 4.3Å; F287-M300 HydrophobicContact CE2-CE 4.09Å; F287-M300 HydrophobicContact CE2-SD 3.6Å; F287-M300 HydrophobicContact CZ-SD 4.08Å; K296-M300 VanDerWaalsContact O-CB 3.32Å; K296-M300 WeakPolarHBondContact O-CB 3.33Å; K296-M300 PolarHBondContact O-N 3.17Å; I297-M300 WeakPolarHBondContact O-CB 3.28Å; I297-M300 PolarHBondContact O-N 3.05Å; I297-M300 VanDerWaalsContact O-N 3.15Å; I298-M300 VanDerWaalsContact C-N 3.32Å; I298-M300 PolarHBondContact O-N 3.35Å; M300-F302 VanDerWaalsContact C-N 3.35Å; M300-K303 PolarHBondContact O-N 3.41Å; M300-N304 PolarHBondContact O-N 3.37Å
301L90.2Very high88.8Confident0 Ų062.5 Ų62.50%028%0.276CS..Hα-helixtrans-61-44176.4-68.6174000111.5L283 I297 I298 K303 N304 V518 F526 F529L283-L301 HydrophobicContact CD2-CD2 3.98Å; I297-L301 HydrophobicContact CG2-CD1 4.14Å; I297-L301 HydrophobicContact CG2-CG 4.4Å; I297-L301 WeakPolarHBondContact O-CG 3.33Å; I297-L301 PolarHBondContact O-N 3.21Å; I298-L301 HydrophobicContact CD1-CD1 4.49Å; I298-L301 PolarHBondContact O-N 2.71Å; L301-K303 PolarHBondContact O-N 3.01Å; L301-N304 PolarHBondContact O-N 2.84Å; L301-V518 HydrophobicContact CD2-CG1 4.29Å; L301-V518 HydrophobicContact CD2-CG2 4.39Å; L301-F526 HydrophobicContact CD1-CB 4.3Å; L301-F526 HydrophobicContact CD2-CB 4.27Å; L301-F526 HydrophobicContact CD2-CD2 4.12Å; L301-F529 HydrophobicContact CB-CD1 4.2Å; L301-F529 HydrophobicContact CB-CE1 4.24Å; L301-F529 HydrophobicContact CD1-CB 4.28Å; L301-F529 HydrophobicContact CD1-CD1 4.24Å; L301-F529 HydrophobicContact CD1-CG 4.42Å
302F91.3Very high89.8Confident113 Ų11356.3 Ų56.350%0.49625%0.251SS..Hα-helixtrans-65.4-36.1178.4-173.8-98.7000113I298 F299 M300 M308 F529 W533I298-F302 WeakPolarHBondContact O-CB 3.35Å; I298-F302 PolarHBondContact O-N 3.14Å; F299-F302 PolarHBondContact O-N 3.3Å; M300-F302 VanDerWaalsContact C-N 3.35Å; F302-M308 HydrophobicContact CD2-CE 3.86Å; F302-M308 HydrophobicContact CD2-SD 3.95Å; F302-M308 HydrophobicContact CE2-CE 4Å; F302-M308 WeakPolarHBondContact O-CG 3.12Å; F302-F529 HydrophobicContact CB-CZ 4.44Å; F302-F529 HydrophobicContact CD2-CZ 4.36Å; F302-W533 HydrophobicContact CD2-CZ2 4.38Å; F302-W533 HydrophobicContact CE2-CH2 4.41Å; F302-W533 HydrophobicContact CE2-CZ2 4.08Å
303K91.1Very high90.5Very high161 Ų16149.7 Ų49.770%0.723%0.226SC*.Hα-helixtrans-76.2-23.1180-168175.1179.5177.70113.1F299 M300 L301 K305F299-K303 HydrophobicContact CE1-CD 4.36Å; F299-K303 WeakPolarHBondContact O-CB 3.41Å; F299-K303 PolarHBondContact O-N 3.09Å; M300-K303 PolarHBondContact O-N 3.41Å; L301-K303 PolarHBondContact O-N 3.01Å; K303-K305 PolarHBondContact O-N 3.46Å
304N90.6Very high91.1Very high10 Ų1048.6 Ų48.65%0.05322%0.22CC..  trans-75.4117.5178.6179.4-53.3000110.8D280 S282 L283 M300 L301 T306 C307 M308D280-N304 VanDerWaalsContact CG-ND2 3.29Å; D280-N304 PolarHBondContact OD1-ND2 2.87Å; D280-N304 PolarHBondContact OD2-ND2 3.34Å; S282-N304 PolarHBondContact OG-ND2 3.48Å; L283-N304 HydrophobicContact CD2-CB 4.13Å; L283-N304 HydrophobicContact CG-CB 4.42Å; M300-N304 PolarHBondContact O-N 3.37Å; L301-N304 PolarHBondContact O-N 2.84Å; N304-T306 WeakPolarHBondContact OD1-CA 3.19Å; N304-T306 WeakPolarHBondContact OD1-CB 3.44Å; N304-T306 PolarHBondContact OD1-N 3.4Å; N304-C307 HydrophobicContact CB-CB 3.83Å; N304-C307 PolarHBondContact O-N 3.22Å; N304-C307 WeakPolarHBondContact OD1-CB 3.29Å; N304-C307 PolarHBondContact OD1-N 2.93Å; N304-M308 PolarHBondContact O-N 3.44Å
305K92.5Very high91.6Very high151 Ų15146.7 Ų46.766%0.65721%0.213SC*.Hα-helixtrans-62.8-44.4-177.6-63.7-177.2-179.7-178.70113.1K303 M308 C309 C599K303-K305 PolarHBondContact O-N 3.46Å; K305-M308 PolarHBondContact O-N 3.44Å; K305-C309 WeakPolarHBondContact O-CB 3.33Å; K305-C309 PolarHBondContact O-N 3.39Å; K305-C309 PolarHBondContact O-SG 3.22Å; K305-C599 HydrophobicContact CB-CB 4.09Å
306T91.9Very high92Very high2 Ų241.9 Ų41.91%0.01219%0.193CC..Hα-helixtrans-61.3-48.9179.2-51.40000111N304 C309 V310 F373 V517 A596 C599 Y600N304-T306 WeakPolarHBondContact OD1-CA 3.19Å; N304-T306 WeakPolarHBondContact OD1-CB 3.44Å; N304-T306 PolarHBondContact OD1-N 3.4Å; T306-C309 PolarHBondContact O-N 3.34Å; T306-V310 WeakPolarHBondContact O-CG2 3.26Å; T306-V310 PolarHBondContact O-N 2.86Å; T306-F373 HydrophobicContact CG2-CE1 3.77Å; T306-F373 HydrophobicContact CG2-CZ 3.82Å; T306-V517 HydrophobicContact CG2-CG1 4.36Å; T306-A596 HydrophobicContact CG2-CB 4.32Å; T306-C599 PolarHBondContact OG1-O 3.3Å; T306-Y600 HydrophobicContact CG2-CD2 4.02Å; T306-Y600 HydrophobicContact CG2-CG 4.49Å; T306-Y600 WeakPolarHBondContact OG1-CA 3.47Å; T306-Y600 PolarHBondContact OG1-N 3.2Å
307C91.7Very high92.3Very high1 Ų139.4 Ų39.41%0.00718%0.182CC..Hα-helixtrans-57.7-51.1178.5179.20000111L283 N304 C309 V310 I311 F526L283-C307 HydrophobicContact CD1-CB 4.47Å; N304-C307 HydrophobicContact CB-CB 3.83Å; N304-C307 PolarHBondContact O-N 3.22Å; N304-C307 WeakPolarHBondContact OD1-CB 3.29Å; N304-C307 PolarHBondContact OD1-N 2.93Å; C307-C309 PolarHBondContact O-N 2.85Å; C307-V310 PolarHBondContact O-N 3.02Å; C307-I311 WeakPolarHBondContact O-CG1 3.18Å; C307-I311 PolarHBondContact O-N 3.3Å; C307-F526 VanDerWaalsContact SG-CE2 3.57Å
308M94.4Very high92.7Very high21 Ų2140.3 Ų40.310%0.10319%0.19CC..Hα-helixtrans-64.9-39.1179.1-73.4-53.9-63.300113F302 N304 K305 V310 I311 L312 F529 W533F302-M308 HydrophobicContact CD2-CE 3.86Å; F302-M308 HydrophobicContact CD2-SD 3.95Å; F302-M308 HydrophobicContact CE2-CE 4Å; F302-M308 WeakPolarHBondContact O-CG 3.12Å; N304-M308 PolarHBondContact O-N 3.44Å; K305-M308 PolarHBondContact O-N 3.44Å; M308-V310 VanDerWaalsContact C-N 3.34Å; M308-V310 PolarHBondContact O-N 3.1Å; M308-I311 PolarHBondContact O-N 3.34Å; M308-I311 HydrophobicContact SD-CD1 4.45Å; M308-L312 VanDerWaalsContact O-CB 3.29Å; M308-L312 WeakPolarHBondContact O-CB 3.32Å; M308-L312 WeakPolarHBondContact O-CG 3.48Å; M308-L312 PolarHBondContact O-N 3.5Å; M308-F529 HydrophobicContact SD-CE1 3.91Å; M308-F529 HydrophobicContact SD-CZ 4.35Å; M308-W533 HydrophobicContact CE-CH2 4.3Å; M308-W533 HydrophobicContact CE-CZ2 4.13Å
309C95.2Very high93Very high18 Ų1840.2 Ų40.212%0.12219%0.189CC..Hα-helixtrans-62.2-41.6175.7-68.90000112K305 T306 C307 M313 L592 A596K305-C309 WeakPolarHBondContact O-CB 3.33Å; K305-C309 PolarHBondContact O-N 3.39Å; K305-C309 PolarHBondContact O-SG 3.22Å; T306-C309 PolarHBondContact O-N 3.34Å; C307-C309 PolarHBondContact O-N 2.85Å; C309-M313 WeakPolarHBondContact O-CB 3.35Å; C309-M313 PolarHBondContact O-N 3.5Å; C309-L592 WeakPolarHBondContact CB-O 3.42Å; C309-A596 HydrophobicContact CB-CB 3.72Å
310V94.1Very high93.2Very high2 Ų233.8 Ų33.81%0.01216%0.161CC..Hα-helixtrans-67.5-40.1177.2171.90000111.7T306 C307 M308 Q314 F373 A596T306-V310 WeakPolarHBondContact O-CG2 3.26Å; T306-V310 PolarHBondContact O-N 2.86Å; C307-V310 PolarHBondContact O-N 3.02Å; M308-V310 VanDerWaalsContact C-N 3.34Å; M308-V310 PolarHBondContact O-N 3.1Å; V310-Q314 WeakPolarHBondContact O-CB 3.3Å; V310-Q314 WeakPolarHBondContact O-CG 3.32Å; V310-Q314 PolarHBondContact O-N 3.05Å; V310-Q314 VanDerWaalsContact O-N 3.08Å; V310-Q314 PolarHBondContact O-NE2 2.98Å; V310-F373 HydrophobicContact CG2-CZ 3.91Å; V310-A596 HydrophobicContact CG2-CB 3.87Å
311I94.3Very high93.3Very high0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-65.8-49.4175.2-69.5170.4000110.3C307 M308 M313 Q314 T315 F526 F529 W533C307-I311 WeakPolarHBondContact O-CG1 3.18Å; C307-I311 PolarHBondContact O-N 3.3Å; M308-I311 PolarHBondContact O-N 3.34Å; M308-I311 HydrophobicContact SD-CD1 4.45Å; I311-M313 VanDerWaalsContact C-N 3.31Å; I311-M313 PolarHBondContact O-N 3.33Å; I311-Q314 PolarHBondContact O-N 3.1Å; I311-T315 PolarHBondContact O-N 3.3Å; I311-T315 PolarHBondContact O-OG1 2.99Å; I311-F526 HydrophobicContact CD1-CD2 4.28Å; I311-F526 HydrophobicContact CD1-CE2 3.88Å; I311-F526 HydrophobicContact CG1-CE2 3.98Å; I311-F529 HydrophobicContact CD1-CD1 3.61Å; I311-F529 HydrophobicContact CD1-CE1 3.82Å; I311-W533 HydrophobicContact CG2-CB 3.62Å; I311-W533 HydrophobicContact CG2-CG 3.92Å
312L95.3Very high93.4Very high60 Ų6035.8 Ų35.831%0.31417%0.171SC..Hα-helixtrans-60.2-40.2179.8-72.7171.7000112M308 T315 I316 W533 L592M308-L312 VanDerWaalsContact O-CB 3.29Å; M308-L312 WeakPolarHBondContact O-CB 3.32Å; M308-L312 WeakPolarHBondContact O-CG 3.48Å; M308-L312 PolarHBondContact O-N 3.5Å; L312-T315 WeakPolarHBondContact O-CB 3.09Å; L312-T315 PolarHBondContact O-N 3.3Å; L312-I316 PolarHBondContact O-N 3.17Å; L312-I316 VanDerWaalsContact O-N 3.1Å; L312-W533 HydrophobicContact CD2-CE3 4.28Å; L312-W533 HydrophobicContact CD2-CZ3 4.17Å; L312-L592 HydrophobicContact CB-CD1 3.9Å; L312-L592 HydrophobicContact CB-CD2 4.43Å
313M94.8Very high93.5Very high4 Ų430.4 Ų30.42%0.0215%0.148CC..Hα-helixtrans-65-46175.2-177.3-86.7-55.400111.7C309 I311 T315 I316 E317 L510 L592 L593C309-M313 WeakPolarHBondContact O-CB 3.35Å; C309-M313 PolarHBondContact O-N 3.5Å; I311-M313 VanDerWaalsContact C-N 3.31Å; I311-M313 PolarHBondContact O-N 3.33Å; M313-T315 PolarHBondContact O-N 2.87Å; M313-I316 WeakPolarHBondContact O-CG1 3.4Å; M313-I316 PolarHBondContact O-N 3.36Å; M313-E317 WeakPolarHBondContact O-CB 3.22Å; M313-E317 PolarHBondContact O-N 3Å; M313-E317 HydrophobicContact SD-CB 4.41Å; M313-L510 HydrophobicContact CE-CD1 3.44Å; M313-L510 VanDerWaalsContact CE-CD1 3.44Å; M313-L510 HydrophobicContact CE-CD2 3.32Å; M313-L510 HydrophobicContact CE-CG 3.99Å; M313-L510 HydrophobicContact SD-CD2 4.09Å; M313-L592 HydrophobicContact CB-CB 3.92Å; M313-L592 HydrophobicContact CB-CD1 4.14Å; M313-L593 HydrophobicContact CB-CG 4.49Å; M313-L593 HydrophobicContact CE-CD1 3.77Å; M313-L593 HydrophobicContact CE-CD2 3.39Å; M313-L593 HydrophobicContact CE-CG 3.65Å; M313-L593 HydrophobicContact CG-CD1 4.21Å; M313-L593 HydrophobicContact CG-CG 3.92Å; M313-L593 HydrophobicContact SD-CD1 4.14Å; M313-L593 HydrophobicContact SD-CG 4.3Å
314Q93.6Very high93.6Very high25 Ų2523.6 Ų23.612%0.11712%0.117CC..Hα-helixtrans-60.8-33.9175.5-76.6176.5103.300112V310 I311 A318 L510 M534V310-Q314 WeakPolarHBondContact O-CB 3.3Å; V310-Q314 WeakPolarHBondContact O-CG 3.32Å; V310-Q314 PolarHBondContact O-N 3.05Å; V310-Q314 VanDerWaalsContact O-N 3.08Å; V310-Q314 PolarHBondContact O-NE2 2.98Å; I311-Q314 PolarHBondContact O-N 3.1Å; Q314-A318 WeakPolarHBondContact O-CB 3.21Å; Q314-A318 PolarHBondContact O-N 3.48Å; Q314-L510 HydrophobicContact CG-CD2 3.73Å; Q314-L510 HydrophobicContact CG-CG 4.33Å; Q314-M534 HydrophobicContact CB-CG 4.09Å; Q314-M534 HydrophobicContact CB-SD 3.7Å
315T95.5Very high93.6Very high6 Ų625.8 Ų25.84%0.03713%0.129CC..Hα-helixtrans-64.1-49.4176.2-63.70000112.5I311 L312 M313 E317 A318 M319 L537 G538I311-T315 PolarHBondContact O-N 3.3Å; I311-T315 PolarHBondContact O-OG1 2.99Å; L312-T315 WeakPolarHBondContact O-CB 3.09Å; L312-T315 PolarHBondContact O-N 3.3Å; M313-T315 PolarHBondContact O-N 2.87Å; T315-E317 VanDerWaalsContact C-N 3.33Å; T315-E317 PolarHBondContact O-N 2.93Å; T315-A318 PolarHBondContact O-N 3.3Å; T315-M319 PolarHBondContact O-N 2.96Å; T315-L537 HydrophobicContact CG2-CB 3.5Å; T315-L537 VanDerWaalsContact CG2-CB 3.5Å; T315-G538 VanDerWaalsContact O-CA 3.25Å; T315-G538 WeakPolarHBondContact O-CA 3.3Å
316I95.2Very high93.6Very high35 Ų3519 Ų1918%0.17910%0.1CC..Hα-helixtrans-68.8-34178.761176000111.8L312 M313 M319 L320 V585 T588 G589 L592L312-I316 PolarHBondContact O-N 3.17Å; L312-I316 VanDerWaalsContact O-N 3.1Å; M313-I316 WeakPolarHBondContact O-CG1 3.4Å; M313-I316 PolarHBondContact O-N 3.36Å; I316-M319 WeakPolarHBondContact O-CB 3.36Å; I316-M319 PolarHBondContact O-N 2.82Å; I316-L320 PolarHBondContact O-N 2.99Å; I316-V585 HydrophobicContact CB-CG1 4.22Å; I316-V585 HydrophobicContact CG1-CG1 4.33Å; I316-V585 VanDerWaalsContact O-CG1 3.28Å; I316-V585 WeakPolarHBondContact O-CG1 3.43Å; I316-T588 HydrophobicContact CD1-CG2 3.83Å; I316-G589 VanDerWaalsContact CD1-N 3.33Å; I316-L592 HydrophobicContact CD1-CD1 3.83Å
317E93.5Very high93.8Very high28 Ų2818.9 Ų18.913%0.13110%0.099CC..Hα-helixtrans-66.5-41.2173.6-173.972.7-166.200110.5M313 T315 M319 L320 M321 K586M313-E317 WeakPolarHBondContact O-CB 3.22Å; M313-E317 PolarHBondContact O-N 3Å; M313-E317 HydrophobicContact SD-CB 4.41Å; T315-E317 VanDerWaalsContact C-N 3.33Å; T315-E317 PolarHBondContact O-N 2.93Å; E317-M319 VanDerWaalsContact C-N 3.29Å; E317-M319 PolarHBondContact O-N 3.47Å; E317-L320 PolarHBondContact O-N 3.23Å; E317-M321 HydrophobicContact CG-CE 4.28Å; E317-M321 WeakPolarHBondContact O-CG 3.46Å; E317-M321 PolarHBondContact O-N 3.23Å; E317-M321 WeakPolarHBondContact OE1-CE 3.36Å; E317-K586 IonicContact OE1-NZ 3.73Å; E317-K586 PolarHBondContact OE1-NZ 3.39Å; E317-K586 IonicContact OE2-NZ 3.73Å; E317-K586 PolarHBondContact OE2-NZ 3.45Å
318A93.5Very high93.8Very high19 Ų1919.8 Ų19.816%0.15710%0.104CC..Hα-helixtrans-63.1-33.8175.200000112.5Q314 T315 N322 M534Q314-A318 WeakPolarHBondContact O-CB 3.21Å; Q314-A318 PolarHBondContact O-N 3.48Å; T315-A318 PolarHBondContact O-N 3.3Å; A318-N322 VanDerWaalsContact O-CB 3.31Å; A318-N322 WeakPolarHBondContact O-CB 3.47Å; A318-N322 PolarHBondContact O-N 2.96Å; A318-M534 HydrophobicContact CB-CB 4.23Å; A318-M534 HydrophobicContact CB-CG 4.39Å
319M94.8Very high93.7Very high34 Ų3418.8 Ų18.817%0.16710%0.099CC..Hα-helixtrans-58.9-49.5172.6-17017552.700111.6T315 I316 E317 G323 G538 G542 F581 V585T315-M319 PolarHBondContact O-N 2.96Å; I316-M319 WeakPolarHBondContact O-CB 3.36Å; I316-M319 PolarHBondContact O-N 2.82Å; E317-M319 VanDerWaalsContact C-N 3.29Å; E317-M319 PolarHBondContact O-N 3.47Å; M319-G323 PolarHBondContact O-N 2.9Å; M319-G538 VanDerWaalsContact CA-O 3.28Å; M319-G538 WeakPolarHBondContact CA-O 3.29Å; M319-G542 WeakPolarHBondContact O-CA 3.33Å; M319-F581 HydrophobicContact CE-CE1 4.1Å; M319-F581 HydrophobicContact CE-CE2 4.24Å; M319-F581 HydrophobicContact CE-CZ 3.45Å; M319-F581 VanDerWaalsContact CE-CZ 3.45Å; M319-F581 HydrophobicContact CG-CZ 4.09Å; M319-F581 HydrophobicContact SD-CZ 3.83Å; M319-V585 HydrophobicContact CE-CG2 3.86Å
320L94.5Very high93.6Very high0 Ų018.4 Ų18.40%010%0.095CC..Hα-helixtrans-64.3-47.6178.5179.869.2000111.6I316 E317 G323 Y324 F546 F581 T582 V585I316-L320 PolarHBondContact O-N 2.99Å; E317-L320 PolarHBondContact O-N 3.23Å; L320-G323 PolarHBondContact O-N 2.9Å; L320-Y324 HydrophobicContact CD1-CD2 3.97Å; L320-Y324 HydrophobicContact CD1-CE2 3.37Å; L320-Y324 HydrophobicContact CD2-CE2 4.1Å; L320-Y324 HydrophobicContact CG-CD2 3.85Å; L320-Y324 HydrophobicContact CG-CE2 3.54Å; L320-Y324 VanDerWaalsContact O-CD2 3.3Å; L320-Y324 WeakPolarHBondContact O-CD2 3.07Å; L320-Y324 PolarHBondContact O-N 3.33Å; L320-F546 HydrophobicContact CD1-CZ 4.18Å; L320-F581 HydrophobicContact CD1-CD1 3.98Å; L320-F581 HydrophobicContact CD1-CE1 4.26Å; L320-T582 HydrophobicContact CD1-CG2 4.21Å; L320-T582 HydrophobicContact CD2-CG2 4.03Å; L320-V585 HydrophobicContact CB-CG1 4.01Å; L320-V585 HydrophobicContact CD2-CB 4.48Å; L320-V585 HydrophobicContact CD2-CG1 4.15Å
321M91.7Very high93.5Very high46 Ų4618.5 Ų18.523%0.22710%0.096CC..Hα-helixtrans-63.2-43.9-179.1-69.8-59.9-171.800112.6E317 Y324 I325 I503E317-M321 HydrophobicContact CG-CE 4.28Å; E317-M321 WeakPolarHBondContact O-CG 3.46Å; E317-M321 PolarHBondContact O-N 3.23Å; E317-M321 WeakPolarHBondContact OE1-CE 3.36Å; M321-Y324 PolarHBondContact O-N 3.42Å; M321-I325 HydrophobicContact CB-CD1 4.47Å; M321-I325 WeakPolarHBondContact O-CB 3.46Å; M321-I325 VanDerWaalsContact O-CG1 3.22Å; M321-I325 WeakPolarHBondContact O-CG1 3.36Å; M321-I325 PolarHBondContact O-N 3.4Å; M321-I503 HydrophobicContact CE-CB 3.99Å; M321-I503 HydrophobicContact CE-CD1 4.1Å; M321-I503 HydrophobicContact CE-CG1 3.91Å; M321-I503 HydrophobicContact CE-CG2 3.08Å; M321-I503 HydrophobicContact SD-CD1 4.3Å; M321-I503 HydrophobicContact SD-CG2 3.87Å
322N92.2Very high93.5Very high16 Ų1618.6 Ų18.69%0.08610%0.096CC..Hα-helixtrans-66.1-44.6-178.7-151.346.5000110.3D73 A318 Y324 I325 T326 S539D73-N322 PolarHBondContact OD2-ND2 2.82Å; D73-N322 VanDerWaalsContact OD2-ND2 3.12Å; A318-N322 VanDerWaalsContact O-CB 3.31Å; A318-N322 WeakPolarHBondContact O-CB 3.47Å; A318-N322 PolarHBondContact O-N 2.96Å; N322-Y324 VanDerWaalsContact C-N 3.33Å; N322-Y324 PolarHBondContact O-N 3.29Å; N322-I325 PolarHBondContact O-N 3.49Å; N322-T326 VanDerWaalsContact O-CB 3.29Å; N322-T326 WeakPolarHBondContact O-CB 3.41Å; N322-T326 PolarHBondContact O-N 3.27Å; N322-T326 PolarHBondContact O-OG1 2.94Å; N322-S539 WeakPolarHBondContact ND2-CB 3.36Å; N322-S539 PolarHBondContact ND2-O 3.29Å
323G92.9Very high93.2Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-55.8-45.4174.800000112.9M319 L320 F327 F546M319-G323 PolarHBondContact O-N 2.9Å; L320-G323 PolarHBondContact O-N 2.9Å; G323-F327 PolarHBondContact O-N 3.06Å; G323-F546 VanDerWaalsContact CA-CD1 3.47Å; G323-F546 VanDerWaalsContact CA-CG 3.44Å; G323-F546 WeakPolarHBondContact O-CD1 3.45Å
324Y92.4Very high93Very high17 Ų1718.7 Ų18.77%0.06710%0.097CC..Hα-helixtrans-64.4-57.9174-75.8-46.9000112.5L320 M321 N322 T326 F327 I328 L394 F546 F578 T582L320-Y324 HydrophobicContact CD1-CD2 3.97Å; L320-Y324 HydrophobicContact CD1-CE2 3.37Å; L320-Y324 HydrophobicContact CD2-CE2 4.1Å; L320-Y324 HydrophobicContact CG-CD2 3.85Å; L320-Y324 HydrophobicContact CG-CE2 3.54Å; L320-Y324 VanDerWaalsContact O-CD2 3.3Å; L320-Y324 WeakPolarHBondContact O-CD2 3.07Å; L320-Y324 PolarHBondContact O-N 3.33Å; M321-Y324 PolarHBondContact O-N 3.42Å; N322-Y324 VanDerWaalsContact C-N 3.33Å; N322-Y324 PolarHBondContact O-N 3.29Å; Y324-T326 PolarHBondContact O-N 3.27Å; Y324-T326 VanDerWaalsContact O-N 3.16Å; Y324-F327 PolarHBondContact O-N 3.26Å; Y324-F327 VanDerWaalsContact O-N 3.09Å; Y324-I328 WeakPolarHBondContact O-CA 2.98Å; Y324-I328 VanDerWaalsContact O-CB 3.25Å; Y324-I328 WeakPolarHBondContact O-CB 3.37Å; Y324-I328 PolarHBondContact O-N 3.17Å; Y324-L394 HydrophobicContact CE1-CD1 4.02Å; Y324-L394 VanDerWaalsContact OH-CD1 3.25Å; Y324-L394 WeakPolarHBondContact OH-CD1 3.42Å; Y324-F546 HydrophobicContact CD1-CE1 4.03Å; Y324-F546 HydrophobicContact CE1-CE1 4.27Å; Y324-F546 HydrophobicContact CG-CE1 4.47Å; Y324-F578 HydrophobicContact CD1-CD1 4.46Å; Y324-F578 HydrophobicContact CE1-CD1 4.08Å; Y324-T582 PolarHBondContact OH-OG1 3.13Å
325I91.3Very high93Very high57 Ų5717.6 Ų17.629%0.2929%0.092SC..Hα-helixtrans-53-43.5-175.9-70.8167.3000110.2N44 S48 M321 N322N44-I325 HydrophobicContact CB-CG2 3.93Å; N44-I325 WeakPolarHBondContact O-CG2 3.31Å; S48-I325 WeakPolarHBondContact CB-O 3.44Å; S48-I325 PolarHBondContact OG-O 3.26Å; M321-I325 HydrophobicContact CB-CD1 4.47Å; M321-I325 WeakPolarHBondContact O-CB 3.46Å; M321-I325 VanDerWaalsContact O-CG1 3.22Å; M321-I325 WeakPolarHBondContact O-CG1 3.36Å; M321-I325 PolarHBondContact O-N 3.4Å; N322-I325 PolarHBondContact O-N 3.49Å
326T93.8Very high92.7Very high7 Ų717.6 Ų17.64%0.0439%0.092CC..Hα-helixtrans-61.2-50.8178.4-59.60000112S48 I51 A69 N322 Y324 A543S48-T326 PolarHBondContact OG-O 3.28Å; I51-T326 HydrophobicContact CD1-CG2 3.31Å; I51-T326 WeakPolarHBondContact CD1-O 3.23Å; A69-T326 HydrophobicContact CB-CG2 3.65Å; N322-T326 VanDerWaalsContact O-CB 3.29Å; N322-T326 WeakPolarHBondContact O-CB 3.41Å; N322-T326 PolarHBondContact O-N 3.27Å; N322-T326 PolarHBondContact O-OG1 2.94Å; Y324-T326 PolarHBondContact O-N 3.27Å; Y324-T326 VanDerWaalsContact O-N 3.16Å; T326-A543 HydrophobicContact CG2-CB 4.47Å
327F94.6Very high92.3Very high1 Ų119 Ų190%0.00411%0.114CC..Hα-helixtrans-106.36.4-168.5-67-74.3000115.9I51 S62 G323 Y324 K330 L331 A543 F546 I550I51-F327 HydrophobicContact CD1-CD1 4.15Å; I51-F327 HydrophobicContact CD1-CE1 4.03Å; I51-F327 HydrophobicContact CG2-CD1 4.31Å; I51-F327 HydrophobicContact CG2-CE1 4.08Å; S62-F327 WeakPolarHBondContact O-CZ 3.29Å; G323-F327 PolarHBondContact O-N 3.06Å; Y324-F327 PolarHBondContact O-N 3.26Å; Y324-F327 VanDerWaalsContact O-N 3.09Å; F327-K330 HydrophobicContact CD1-CD 4.09Å; F327-K330 PolarHBondContact O-N 3.38Å; F327-L331 WeakPolarHBondContact O-CB 3.45Å; F327-L331 PolarHBondContact O-N 2.83Å; F327-A543 WeakPolarHBondContact CE2-O 3.45Å; F327-F546 HydrophobicContact CD2-CB 3.71Å; F327-F546 HydrophobicContact CE2-CB 3.97Å; F327-I550 HydrophobicContact CB-CD1 3.83Å; F327-I550 HydrophobicContact CD1-CD1 3.53Å; F327-I550 HydrophobicContact CD2-CD1 4.13Å; F327-I550 HydrophobicContact CE1-CD1 4.08Å; F327-I550 HydrophobicContact CG-CD1 3.55Å
328I92.5Very high92Very high19 Ų1919.2 Ų19.210%0.09712%0.115CC..Hα-helixtrans-58.3-43.4-172.4-146.4151.6000114.1F206 Y324 K330 L331 L332 T347 F496F206-I328 HydrophobicContact CE1-CG2 4.46Å; F206-I328 HydrophobicContact CZ-CG2 4.35Å; Y324-I328 WeakPolarHBondContact O-CA 2.98Å; Y324-I328 VanDerWaalsContact O-CB 3.25Å; Y324-I328 WeakPolarHBondContact O-CB 3.37Å; Y324-I328 PolarHBondContact O-N 3.17Å; I328-K330 PolarHBondContact O-N 2.62Å; I328-L331 PolarHBondContact O-N 3.34Å; I328-L332 WeakPolarHBondContact O-CG 3.06Å; I328-L332 PolarHBondContact O-N 3.31Å; I328-T347 HydrophobicContact CG2-CG2 3.29Å; I328-F496 HydrophobicContact CD1-CE2 3.81Å; I328-F496 HydrophobicContact CD1-CZ 3.42Å; I328-F496 VanDerWaalsContact CD1-CZ 3.42Å; I328-F496 HydrophobicContact CG1-CE2 4.43Å; I328-F496 HydrophobicContact CG1-CZ 3.96Å
329P92.5Very high91.7Very high1 Ų119.5 Ų19.51%0.00612%0.115CC..Hα-helixtrans-66.7-44.1180-18.635.8000110.1S48 F206 L331 L332 E333 A343S48-P329 WeakPolarHBondContact OG-CD 3.46Å; F206-P329 HydrophobicContact CD1-CG 4.47Å; F206-P329 HydrophobicContact CE1-CG 3.76Å; P329-L331 VanDerWaalsContact C-N 3.28Å; P329-L331 PolarHBondContact O-N 2.91Å; P329-L332 CarbonylContact O-C 3.51Å; P329-L332 WeakPolarHBondContact O-CB 3.41Å; P329-L332 PolarHBondContact O-N 2.76Å; P329-E333 WeakPolarHBondContact O-CG 3.39Å; P329-E333 PolarHBondContact O-N 2.9Å; P329-A343 HydrophobicContact CB-CB 4.22Å; P329-A343 WeakPolarHBondContact O-CB 3.36Å
330K92.3Very high91.4Very high9 Ų918.5 Ų18.54%0.03911%0.112CC..Hα-helixtrans-59.7-37.4176.1-174.6176.1-176.81760112.7I51 E55 S62 F327 I328 E333 T334 Y569I51-K330 HydrophobicContact CG2-CD 4.41Å; E55-K330 IonicContact OE1-NZ 2.66Å; E55-K330 PolarHBondContact OE1-NZ 3.49Å; E55-K330 WeakPolarHBondContact OE2-CE 3.44Å; E55-K330 IonicContact OE2-NZ 2.66Å; E55-K330 PolarHBondContact OE2-NZ 3.28Å; S62-K330 PolarHBondContact OG-NZ 3.48Å; F327-K330 HydrophobicContact CD1-CD 4.09Å; F327-K330 PolarHBondContact O-N 3.38Å; I328-K330 PolarHBondContact O-N 2.62Å; K330-E333 WeakPolarHBondContact O-CB 3.48Å; K330-E333 PolarHBondContact O-N 2.96Å; K330-T334 PolarHBondContact O-N 2.88Å; K330-T334 PolarHBondContact O-OG1 3.43Å; K330-Y569 WeakPolarHBondContact CE-OH 3.28Å; K330-Y569 PolarHBondContact NZ-OH 3.37Å
331L92.6Very high91.1Very high5 Ų518.7 Ų18.73%0.02611%0.114CC..Hα-helixtrans-65.6-40.7175.4-173.564.1000110.9F327 I328 P329 T334 L335 L394 L574 F578F327-L331 WeakPolarHBondContact O-CB 3.45Å; F327-L331 PolarHBondContact O-N 2.83Å; I328-L331 PolarHBondContact O-N 3.34Å; P329-L331 VanDerWaalsContact C-N 3.28Å; P329-L331 PolarHBondContact O-N 2.91Å; L331-T334 PolarHBondContact O-N 2.91Å; L331-L335 HydrophobicContact CD1-CD1 3.78Å; L331-L335 HydrophobicContact CD1-CG 3.92Å; L331-L335 HydrophobicContact CD2-CD1 4.36Å; L331-L335 HydrophobicContact CG-CD1 3.75Å; L331-L335 HydrophobicContact CG-CG 4.19Å; L331-L335 WeakPolarHBondContact O-CB 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.38Å; L331-L335 PolarHBondContact O-N 3.41Å; L331-L394 HydrophobicContact CD2-CD2 3.8Å; L331-L574 HydrophobicContact CD1-CD2 3.83Å; L331-L574 HydrophobicContact CD1-CG 4.14Å; L331-F578 HydrophobicContact CD1-CD1 4.46Å; L331-F578 HydrophobicContact CD1-CE1 4.29Å; L331-F578 HydrophobicContact CD1-CZ 4.42Å; L331-F578 HydrophobicContact CD2-CD1 3.94Å; L331-F578 HydrophobicContact CD2-CE1 4.01Å
332L93Very high91Very high2 Ų219.4 Ų19.41%0.0112%0.119CC..Hα-helixtrans-68.3-37173.6-60.6-175000112.5I328 P329 T334 L336 F338 A343 I346 T347 F492I328-L332 WeakPolarHBondContact O-CG 3.06Å; I328-L332 PolarHBondContact O-N 3.31Å; P329-L332 CarbonylContact O-C 3.51Å; P329-L332 WeakPolarHBondContact O-CB 3.41Å; P329-L332 PolarHBondContact O-N 2.76Å; L332-T334 VanDerWaalsContact C-N 3.25Å; L332-T334 PolarHBondContact O-N 3.33Å; L332-L336 HydrophobicContact CD2-CD1 4.11Å; L332-L336 WeakPolarHBondContact O-CA 3.33Å; L332-L336 WeakPolarHBondContact O-CB 3.34Å; L332-L336 PolarHBondContact O-N 3.05Å; L332-F338 HydrophobicContact CB-CD2 4.24Å; L332-A343 HydrophobicContact CB-CB 3.99Å; L332-I346 HydrophobicContact CD1-CG2 4.27Å; L332-T347 WeakPolarHBondContact CD1-OG1 3.24Å; L332-F492 HydrophobicContact CD2-CD1 4.26Å; L332-F492 HydrophobicContact CD2-CE1 3.28Å; L332-F492 HydrophobicContact CD2-CE2 4.41Å; L332-F492 HydrophobicContact CD2-CZ 3.38Å
333E90.8Very high91Very high37 Ų3718.6 Ų18.617%0.17312%0.115CC..Hα-helixtrans-57.1-42.6171.5-66.6178.3-136.200110.2S52 P329 K330 G337 F338 S340 A343S52-E333 WeakPolarHBondContact CB-OE1 3.21Å; S52-E333 PolarHBondContact OG-OE1 3.48Å; S52-E333 PolarHBondContact OG-OE2 3.22Å; P329-E333 WeakPolarHBondContact O-CG 3.39Å; P329-E333 PolarHBondContact O-N 2.9Å; K330-E333 WeakPolarHBondContact O-CB 3.48Å; K330-E333 PolarHBondContact O-N 2.96Å; E333-G337 WeakPolarHBondContact O-CA 3.34Å; E333-G337 PolarHBondContact O-N 2.73Å; E333-G337 VanDerWaalsContact O-N 3.09Å; E333-F338 WeakPolarHBondContact CA-O 3.37Å; E333-F338 WeakPolarHBondContact CG-O 3.02Å; E333-S340 VanDerWaalsContact OE1-CA 3.3Å; E333-S340 WeakPolarHBondContact OE1-CA 3.08Å; E333-S340 VanDerWaalsContact OE1-CB 3.26Å; E333-S340 WeakPolarHBondContact OE1-CB 3.3Å; E333-S340 PolarHBondContact OE1-OG 2.97Å; E333-A343 HydrophobicContact CG-CB 3.81Å
334T90.1Very high91Very high29 Ų2918.6 Ų18.618%0.17812%0.115CC..Hα-helixtrans-79.8-43.4-176-54.40000113.8K330 L331 L332 Y569 A571 L574K330-T334 PolarHBondContact O-N 2.88Å; K330-T334 PolarHBondContact O-OG1 3.43Å; L331-T334 PolarHBondContact O-N 2.91Å; L332-T334 VanDerWaalsContact C-N 3.25Å; L332-T334 PolarHBondContact O-N 3.33Å; T334-Y569 HydrophobicContact CG2-CD2 4.37Å; T334-Y569 HydrophobicContact CG2-CG 4.33Å; T334-A571 HydrophobicContact CG2-CB 4.39Å; T334-L574 HydrophobicContact CG2-CD2 3.67Å
335L92.5Very high91Very high2 Ų219.3 Ų19.31%0.0112%0.119CC..Hα-helixtrans-80.2-35.8-176.2-66.3-179.1000112.7L331 L394 R397 C398 F492 A571L331-L335 HydrophobicContact CD1-CD1 3.78Å; L331-L335 HydrophobicContact CD1-CG 3.92Å; L331-L335 HydrophobicContact CD2-CD1 4.36Å; L331-L335 HydrophobicContact CG-CD1 3.75Å; L331-L335 HydrophobicContact CG-CG 4.19Å; L331-L335 WeakPolarHBondContact O-CB 3.25Å; L331-L335 WeakPolarHBondContact O-CG 3.38Å; L331-L335 PolarHBondContact O-N 3.41Å; L335-L394 HydrophobicContact CD1-CD2 4.49Å; L335-R397 HydrophobicContact CD2-CB 4.49Å; L335-R397 WeakPolarHBondContact O-CA 3.34Å; L335-C398 PolarHBondContact O-N 3.5Å; L335-F492 HydrophobicContact CD1-CE2 4.18Å; L335-A571 HydrophobicContact CD2-CB 4.22Å; L335-A571 WeakPolarHBondContact CD2-O 3.22Å
336L90.4Very high91Very high6 Ų618.7 Ų18.73%0.03112%0.116CC..Hα-helixtrans-114.6-3.6-171.9-57.8179.2000114L332 F338 C398 I489 F492L332-L336 HydrophobicContact CD2-CD1 4.11Å; L332-L336 WeakPolarHBondContact O-CA 3.33Å; L332-L336 WeakPolarHBondContact O-CB 3.34Å; L332-L336 PolarHBondContact O-N 3.05Å; L336-F338 HydrophobicContact CB-CD2 3.96Å; L336-F338 HydrophobicContact CB-CE1 4.45Å; L336-F338 HydrophobicContact CB-CE2 3.84Å; L336-F338 HydrophobicContact CB-CG 4.31Å; L336-F338 HydrophobicContact CB-CZ 4.11Å; L336-F338 HydrophobicContact CD1-CD2 4.19Å; L336-F338 HydrophobicContact CD1-CE2 3.48Å; L336-F338 VanDerWaalsContact CD1-CE2 3.48Å; L336-F338 HydrophobicContact CD1-CZ 4.01Å; L336-F338 HydrophobicContact CG-CE2 4.33Å; L336-F338 PolarHBondContact O-N 3.28Å; L336-C398 WeakPolarHBondContact CA-SG 3.24Å; L336-C398 PolarHBondContact O-SG 3.44Å; L336-I489 HydrophobicContact CB-CG1 4.44Å; L336-I489 HydrophobicContact CD2-CG1 4.15Å; L336-F492 HydrophobicContact CD1-CB 4.32Å; L336-F492 HydrophobicContact CD1-CD1 3.72Å; L336-F492 HydrophobicContact CD1-CD2 4.45Å; L336-F492 HydrophobicContact CD1-CE1 4.17Å; L336-F492 HydrophobicContact CD1-CG 3.9Å; L336-F492 HydrophobicContact CD2-CB 4.23Å; L336-F492 HydrophobicContact CD2-CD2 4.41Å; L336-F492 HydrophobicContact CD2-CG 4.27Å
337G86.7Confident90.9Very high63 Ų6318.4 Ų18.465%0.64911%0.114SC*.  trans68.620.3178.600000114.1E333E333-G337 WeakPolarHBondContact O-CA 3.34Å; E333-G337 PolarHBondContact O-N 2.73Å; E333-G337 VanDerWaalsContact O-N 3.09Å
338F87.5Confident90.7Very high34 Ų3418.5 Ų18.515%0.14912%0.115CC..  trans-70.7149.8177.1-66.8-32.2000111.8L332 E333 L336 N342 A343 I346 I489L332-F338 HydrophobicContact CB-CD2 4.24Å; E333-F338 WeakPolarHBondContact CA-O 3.37Å; E333-F338 WeakPolarHBondContact CG-O 3.02Å; L336-F338 HydrophobicContact CB-CD2 3.96Å; L336-F338 HydrophobicContact CB-CE1 4.45Å; L336-F338 HydrophobicContact CB-CE2 3.84Å; L336-F338 HydrophobicContact CB-CG 4.31Å; L336-F338 HydrophobicContact CB-CZ 4.11Å; L336-F338 HydrophobicContact CD1-CD2 4.19Å; L336-F338 HydrophobicContact CD1-CE2 3.48Å; L336-F338 VanDerWaalsContact CD1-CE2 3.48Å; L336-F338 HydrophobicContact CD1-CZ 4.01Å; L336-F338 HydrophobicContact CG-CE2 4.33Å; L336-F338 PolarHBondContact O-N 3.28Å; F338-N342 HydrophobicContact CB-CB 4.3Å; F338-A343 HydrophobicContact CB-CB 4.12Å; F338-I346 HydrophobicContact CD1-CD1 4.49Å; F338-I346 HydrophobicContact CD2-CD1 3.64Å; F338-I346 HydrophobicContact CE1-CD1 4.14Å; F338-I346 HydrophobicContact CE2-CD1 3.22Å; F338-I346 HydrophobicContact CG-CD1 4.27Å; F338-I346 HydrophobicContact CZ-CD1 3.5Å; F338-I346 VanDerWaalsContact CZ-CD1 3.5Å; F338-I489 HydrophobicContact CE1-CD1 3.71Å; F338-I489 HydrophobicContact CE1-CG1 4.16Å; F338-I489 HydrophobicContact CZ-CD1 3.95Å; F338-I489 HydrophobicContact CZ-CG1 3.9Å; F338-I489 HydrophobicContact CZ-CG2 3.79Å
339S86.9Confident90.6Very high24 Ų2419.7 Ų19.717%0.16813%0.132CC..  trans-67.3155.4165.269.50000110.4G341 N342 A343S339-G341 VanDerWaalsContact C-N 3.31Å; S339-G341 PolarHBondContact O-N 2.98Å; S339-N342 PolarHBondContact O-N 3.3Å; S339-N342 PolarHBondContact OG-N 2.81Å; S339-N342 PolarHBondContact OG-ND2 2.94Å; S339-A343 PolarHBondContact O-N 3.35Å
340S87.6Confident90.5Very high14 Ų1420.6 Ų20.610%0.09814%0.138CC..Hα-helixtrans-54.5-44.9-176.8-163.60000113.1E333 N342 A343 S344E333-S340 VanDerWaalsContact OE1-CA 3.3Å; E333-S340 WeakPolarHBondContact OE1-CA 3.08Å; E333-S340 VanDerWaalsContact OE1-CB 3.26Å; E333-S340 WeakPolarHBondContact OE1-CB 3.3Å; E333-S340 PolarHBondContact OE1-OG 2.97Å; S340-N342 PolarHBondContact O-N 3.38Å; S340-A343 PolarHBondContact O-N 2.98Å; S340-S344 PolarHBondContact O-N 3.05Å; S340-S344 PolarHBondContact O-OG 2.8Å; S340-S344 VanDerWaalsContact O-OG 3.1Å
341G88.5Confident90.4Very high4 Ų421.1 Ų21.14%0.04114%0.142CC..Hα-helixtrans-62.3-41.5174.900000113.4S339 S344 L345S339-G341 VanDerWaalsContact C-N 3.31Å; S339-G341 PolarHBondContact O-N 2.98Å; G341-S344 PolarHBondContact O-N 2.91Å; G341-L345 WeakPolarHBondContact O-CB 3.42Å; G341-L345 VanDerWaalsContact O-CG 3.23Å; G341-L345 WeakPolarHBondContact O-CG 3.24Å; G341-L345 PolarHBondContact O-N 3.4Å
342N90.4Very high90.1Very high60 Ų6021.1 Ų21.132%0.32114%0.142SC..Hα-helixtrans-69.2-40.3178.4-73.9-7.6000112.1R214 F338 S339 S340 S344 L345 I346R214-N342 PolarHBondContact NH2-OD1 2.95Å; F338-N342 HydrophobicContact CB-CB 4.3Å; S339-N342 PolarHBondContact O-N 3.3Å; S339-N342 PolarHBondContact OG-N 2.81Å; S339-N342 PolarHBondContact OG-ND2 2.94Å; S340-N342 PolarHBondContact O-N 3.38Å; N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.3Å; N342-L345 PolarHBondContact O-N 3.32Å; N342-I346 WeakPolarHBondContact O-CB 3.44Å; N342-I346 WeakPolarHBondContact O-CG1 3.42Å; N342-I346 PolarHBondContact O-N 3.01Å
343A92.2Very high90Very high0 Ų024.2 Ų24.20%016%0.162CC..Hα-helixtrans-60.1-43.717500000111.6P329 L332 E333 F338 S339 S340 T347P329-A343 HydrophobicContact CB-CB 4.22Å; P329-A343 WeakPolarHBondContact O-CB 3.36Å; L332-A343 HydrophobicContact CB-CB 3.99Å; E333-A343 HydrophobicContact CG-CB 3.81Å; F338-A343 HydrophobicContact CB-CB 4.12Å; S339-A343 PolarHBondContact O-N 3.35Å; S340-A343 PolarHBondContact O-N 2.98Å; A343-T347 WeakPolarHBondContact O-CB 3.5Å; A343-T347 PolarHBondContact O-N 3.23Å; A343-T347 PolarHBondContact O-OG1 3.13Å
344S92.8Very high90.2Very high0 Ų023.5 Ų23.50%016%0.16CC..Hα-helixtrans-64.7-44.3174.5-59.60000112.6V49 S340 G341 N342 I346 T347 G348V49-S344 WeakPolarHBondContact CG1-OG 3.44Å; S340-S344 PolarHBondContact O-N 3.05Å; S340-S344 PolarHBondContact O-OG 2.8Å; S340-S344 VanDerWaalsContact O-OG 3.1Å; G341-S344 PolarHBondContact O-N 2.91Å; N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.3Å; S344-I346 PolarHBondContact O-N 2.92Å; S344-T347 PolarHBondContact O-N 3.07Å; S344-G348 PolarHBondContact O-N 3.06Å
345L92.6Very high90.2Very high31 Ų3122.1 Ų22.116%0.16215%0.152CC..Hα-helixtrans-62.8-42.2178.4-73.8169.1000112.2V207 F211 R214 G341 N342 G348 G349V207-L345 HydrophobicContact CG1-CD2 4.28Å; F211-L345 HydrophobicContact CD2-CD2 4.04Å; F211-L345 HydrophobicContact CE2-CD2 3.84Å; F211-L345 HydrophobicContact CG-CD2 4.46Å; F211-L345 HydrophobicContact CZ-CD2 4.09Å; R214-L345 VanDerWaalsContact NH2-CD1 3.26Å; G341-L345 WeakPolarHBondContact O-CB 3.42Å; G341-L345 VanDerWaalsContact O-CG 3.23Å; G341-L345 WeakPolarHBondContact O-CG 3.24Å; G341-L345 PolarHBondContact O-N 3.4Å; N342-L345 PolarHBondContact O-N 3.32Å; L345-G348 PolarHBondContact O-N 3.32Å; L345-G349 PolarHBondContact O-N 3.28Å
346I91.6Very high90.2Very high44 Ų4424.5 Ų24.523%0.22616%0.164CC..Hα-helixtrans-67-43.6176.8-70.2169.1000110.3L332 F338 N342 S344 G348 G349 V350L332-I346 HydrophobicContact CD1-CG2 4.27Å; F338-I346 HydrophobicContact CD1-CD1 4.49Å; F338-I346 HydrophobicContact CD2-CD1 3.64Å; F338-I346 HydrophobicContact CE1-CD1 4.14Å; F338-I346 HydrophobicContact CE2-CD1 3.22Å; F338-I346 HydrophobicContact CG-CD1 4.27Å; F338-I346 HydrophobicContact CZ-CD1 3.5Å; F338-I346 VanDerWaalsContact CZ-CD1 3.5Å; N342-I346 WeakPolarHBondContact O-CB 3.44Å; N342-I346 WeakPolarHBondContact O-CG1 3.42Å; N342-I346 PolarHBondContact O-N 3.01Å; S344-I346 PolarHBondContact O-N 2.92Å; I346-G348 PolarHBondContact O-N 3.1Å; I346-G349 PolarHBondContact O-N 3.22Å; I346-V350 HydrophobicContact CG2-CG2 4.16Å; I346-V350 VanDerWaalsContact O-CB 3.22Å; I346-V350 WeakPolarHBondContact O-CB 3.44Å; I346-V350 VanDerWaalsContact O-CG2 3.28Å; I346-V350 WeakPolarHBondContact O-CG2 3.46Å; I346-V350 PolarHBondContact O-N 3.48Å
347T91.6Very high90.3Very high2 Ų228.2 Ų28.21%0.01219%0.187CC..Hα-helixtrans-56.6-52.6174.9-60.40000110.9F206 I328 L332 A343 S344 V350 V351F206-T347 HydrophobicContact CD1-CG2 3.88Å; F206-T347 HydrophobicContact CD2-CG2 4.22Å; F206-T347 HydrophobicContact CE1-CG2 3.71Å; F206-T347 HydrophobicContact CE2-CG2 4.05Å; F206-T347 HydrophobicContact CG-CG2 4.19Å; F206-T347 HydrophobicContact CZ-CG2 3.81Å; I328-T347 HydrophobicContact CG2-CG2 3.29Å; L332-T347 WeakPolarHBondContact CD1-OG1 3.24Å; A343-T347 WeakPolarHBondContact O-CB 3.5Å; A343-T347 PolarHBondContact O-N 3.23Å; A343-T347 PolarHBondContact O-OG1 3.13Å; S344-T347 PolarHBondContact O-N 3.07Å; T347-V350 PolarHBondContact O-N 3.4Å; T347-V351 HydrophobicContact CG2-CG2 4.16Å; T347-V351 VanDerWaalsContact O-CB 3.29Å; T347-V351 WeakPolarHBondContact O-CB 3.45Å; T347-V351 WeakPolarHBondContact O-CG2 3.4Å; T347-V351 PolarHBondContact O-N 3.48Å
348G90.3Very high90.7Very high2 Ų225.2 Ų25.22%0.02116%0.156CC..Hα-helixtrans-64.2-40.4179.900000113.3S344 L345 I346 V352 P353S344-G348 PolarHBondContact O-N 3.06Å; L345-G348 PolarHBondContact O-N 3.32Å; I346-G348 PolarHBondContact O-N 3.1Å; G348-V352 WeakPolarHBondContact O-CB 3.31Å; G348-P353 WeakPolarHBondContact O-CD 3.39Å
349G89.8Confident90.8Very high44 Ų4423.8 Ų23.845%0.45415%0.15SC..Hα-helixtrans-74.4-25.7-179.100000114.2L345 I346 P353L345-G349 PolarHBondContact O-N 3.28Å; I346-G349 PolarHBondContact O-N 3.22Å; G349-P353 WeakPolarHBondContact O-CD 3.45Å; G349-P353 WeakPolarHBondContact O-CG 3.44Å
350V90.4Very high91Very high21 Ų2128.9 Ų28.913%0.12717%0.166CC..Hα-helixtrans-99.3-59.1-178.4174.50000111.7I346 T347 V352 V354 I493 F496 I497I346-V350 HydrophobicContact CG2-CG2 4.16Å; I346-V350 VanDerWaalsContact O-CB 3.22Å; I346-V350 WeakPolarHBondContact O-CB 3.44Å; I346-V350 VanDerWaalsContact O-CG2 3.28Å; I346-V350 WeakPolarHBondContact O-CG2 3.46Å; I346-V350 PolarHBondContact O-N 3.48Å; T347-V350 PolarHBondContact O-N 3.4Å; V350-V352 VanDerWaalsContact C-N 3.32Å; V350-V352 PolarHBondContact O-N 2.95Å; V350-V354 WeakPolarHBondContact O-CB 3.47Å; V350-V354 WeakPolarHBondContact O-CG2 3.21Å; V350-I493 HydrophobicContact CG2-CG2 4.19Å; V350-F496 HydrophobicContact CG1-CD1 3.99Å; V350-F496 HydrophobicContact CG1-CE1 4.43Å; V350-I497 HydrophobicContact CG1-CD1 4.25Å; V350-I497 HydrophobicContact CG1-CG1 3.41Å; V350-I497 VanDerWaalsContact CG1-CG1 3.41Å
351V89.3Confident91.2Very high20 Ų2031.2 Ų31.212%0.12118%0.177CC..Hα-helixtrans-66.1-39.5-169.4-178.50000110.8T347 G355 F496 F504T347-V351 HydrophobicContact CG2-CG2 4.16Å; T347-V351 VanDerWaalsContact O-CB 3.29Å; T347-V351 WeakPolarHBondContact O-CB 3.45Å; T347-V351 WeakPolarHBondContact O-CG2 3.4Å; T347-V351 PolarHBondContact O-N 3.48Å; V351-G355 PolarHBondContact O-N 3.48Å; V351-F496 HydrophobicContact CG2-CD1 4.34Å; V351-F496 HydrophobicContact CG2-CE1 3.28Å; V351-F496 HydrophobicContact CG2-CZ 3.43Å; V351-F496 VanDerWaalsContact CG2-CZ 3.43Å; V351-F504 HydrophobicContact CG1-CE2 3.68Å; V351-F504 HydrophobicContact CG1-CZ 4.17Å
352V87.3Confident91.3Very high5 Ų531 Ų313%0.0318%0.175CC..Hα-helixtrans-79.7-46.5-167.4-172.60000113.5T199 A203 F206 G348 V350 V354 G355 I356T199-V352 HydrophobicContact CG2-CG1 4.13Å; T199-V352 VanDerWaalsContact O-CG1 3.22Å; T199-V352 WeakPolarHBondContact O-CG1 3.38Å; A203-V352 HydrophobicContact CB-CB 3.61Å; A203-V352 HydrophobicContact CB-CG1 3.13Å; A203-V352 HydrophobicContact CB-CG2 3.92Å; F206-V352 HydrophobicContact CD2-CG2 4.47Å; G348-V352 WeakPolarHBondContact O-CB 3.31Å; V350-V352 VanDerWaalsContact C-N 3.32Å; V350-V352 PolarHBondContact O-N 2.95Å; V352-V354 VanDerWaalsContact C-N 3.25Å; V352-V354 PolarHBondContact O-N 3.05Å; V352-G355 PolarHBondContact O-N 2.96Å; V352-G355 VanDerWaalsContact O-N 3.09Å; V352-I356 HydrophobicContact CG1-CD1 4.11Å; V352-I356 HydrophobicContact CG1-CG1 4.42Å; V352-I356 WeakPolarHBondContact O-CG1 3.31Å; V352-I356 PolarHBondContact O-N 3.39Å
353P91.3Very high91.1Very high66 Ų6628.3 Ų28.343%0.42916%0.161SC..Hα-helixtrans-57.7-41.3172.2-27.137.5000112.1G348 G349 I356 V357G348-P353 WeakPolarHBondContact O-CD 3.39Å; G349-P353 WeakPolarHBondContact O-CD 3.45Å; G349-P353 WeakPolarHBondContact O-CG 3.44Å; P353-I356 PolarHBondContact O-N 3.35Å; P353-V357 WeakPolarHBondContact O-CG2 3.43Å; P353-V357 PolarHBondContact O-N 3.1Å
354V93.8Very high90.9Very high23 Ų2335.1 Ų35.114%0.13919%0.187CC..Hα-helixtrans-61.2-45.4174.4174.80000110.6V350 V352 I356 V357 A358 I497 F501V350-V354 WeakPolarHBondContact O-CB 3.47Å; V350-V354 WeakPolarHBondContact O-CG2 3.21Å; V352-V354 VanDerWaalsContact C-N 3.25Å; V352-V354 PolarHBondContact O-N 3.05Å; V354-I356 PolarHBondContact O-N 3.34Å; V354-V357 PolarHBondContact O-N 3.36Å; V354-A358 WeakPolarHBondContact O-CB 3.25Å; V354-A358 PolarHBondContact O-N 3.08Å; V354-I497 HydrophobicContact CG2-CG1 4.37Å; V354-I497 HydrophobicContact CG2-CG2 3.9Å; V354-F501 HydrophobicContact CG1-CB 3.75Å; V354-F501 HydrophobicContact CG1-CD2 4.41Å
355G91.4Very high90.7Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-60.7-40.217800000113.5V351 V352 S359 F504V351-G355 PolarHBondContact O-N 3.48Å; V352-G355 PolarHBondContact O-N 2.96Å; V352-G355 VanDerWaalsContact O-N 3.09Å; G355-S359 WeakPolarHBondContact O-CB 3.38Å; G355-S359 PolarHBondContact O-N 2.86Å; G355-S359 PolarHBondContact O-OG 3.18Å; G355-F504 VanDerWaalsContact CA-CD2 3.49Å; G355-F504 VanDerWaalsContact CA-CG 3.43Å
356I91.6Very high90.3Very high52 Ų5235.1 Ų35.127%0.26719%0.187SC..Hα-helixtrans-64.6-51.9176-67.2165.4000110.6I196 T199 V200 V352 P353 V354 S359 Y360I196-I356 HydrophobicContact CG2-CG1 4.46Å; I196-I356 HydrophobicContact CG2-CG2 3.98Å; T199-I356 HydrophobicContact CG2-CG1 4.33Å; V200-I356 HydrophobicContact CG2-CD1 3.69Å; V200-I356 HydrophobicContact CG2-CG1 4.21Å; V352-I356 HydrophobicContact CG1-CD1 4.11Å; V352-I356 HydrophobicContact CG1-CG1 4.42Å; V352-I356 WeakPolarHBondContact O-CG1 3.31Å; V352-I356 PolarHBondContact O-N 3.39Å; P353-I356 PolarHBondContact O-N 3.35Å; V354-I356 PolarHBondContact O-N 3.34Å; I356-S359 PolarHBondContact O-N 3.4Å; I356-Y360 WeakPolarHBondContact O-CB 3.5Å; I356-Y360 PolarHBondContact O-N 3Å
357V93.4Very high89.9Confident83 Ų8336.1 Ų36.150%0.50319%0.19SC..Hα-helixtrans-63.4-47.9-178.6173.50000110.6P353 V354 Y360 I361P353-V357 WeakPolarHBondContact O-CG2 3.43Å; P353-V357 PolarHBondContact O-N 3.1Å; V354-V357 PolarHBondContact O-N 3.36Å; V357-Y360 PolarHBondContact O-N 3.46Å; V357-I361 HydrophobicContact CG1-CD1 3.84Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.44Å; V357-I361 PolarHBondContact O-N 3.04Å
358A93.7Very high89.6Confident0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-63.6-43.8179.500000111.8V354 Y360 I361 G362 F501 F504 I505V354-A358 WeakPolarHBondContact O-CB 3.25Å; V354-A358 PolarHBondContact O-N 3.08Å; A358-Y360 PolarHBondContact O-N 3.05Å; A358-I361 PolarHBondContact O-N 3.23Å; A358-G362 PolarHBondContact O-N 3.25Å; A358-F501 HydrophobicContact CB-CD2 3.71Å; A358-F501 HydrophobicContact CB-CE2 4.01Å; A358-F501 HydrophobicContact CB-CG 4.31Å; A358-F504 HydrophobicContact CB-CB 3.72Å; A358-I505 HydrophobicContact CB-CB 4.21Å; A358-I505 WeakPolarHBondContact O-CA 3.05Å
359S90.4Very high89.2Confident4 Ų444.1 Ų44.13%0.02823%0.229CC..Hα-helixtrans-65.5-37.3177.1-61.70000112.2G355 I356 G362 G363 P508G355-S359 WeakPolarHBondContact O-CB 3.38Å; G355-S359 PolarHBondContact O-N 2.86Å; G355-S359 PolarHBondContact O-OG 3.18Å; I356-S359 PolarHBondContact O-N 3.4Å; S359-G362 PolarHBondContact O-N 2.93Å; S359-G363 PolarHBondContact O-N 3.01Å; S359-P508 WeakPolarHBondContact O-CG 3.15Å
360Y90.6Very high88.3Confident131 Ų13145 Ų4551%0.51422%0.222SC..Hα-helixtrans-62.8-47.7174.1-178.7-96.7000111.6I196 I356 V357 A358 G363 R364I196-Y360 HydrophobicContact CD1-CD2 4.05Å; I356-Y360 WeakPolarHBondContact O-CB 3.5Å; I356-Y360 PolarHBondContact O-N 3Å; V357-Y360 PolarHBondContact O-N 3.46Å; A358-Y360 PolarHBondContact O-N 3.05Å; Y360-G363 PolarHBondContact O-N 3.18Å; Y360-R364 HydrophobicContact CD1-CG 4.45Å; Y360-R364 HydrophobicContact CE1-CG 4.07Å; Y360-R364 WeakPolarHBondContact O-CG 2.97Å; Y360-R364 PolarHBondContact O-N 3.36Å
361I92.6Very high87.3Confident63 Ų6349 Ų4932%0.32324%0.243SC..Hα-helixtrans-61.3-46.9176.3-66.4167.4000110.3V357 A358 G363 R364 I365 F501 I505V357-I361 HydrophobicContact CG1-CD1 3.84Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.44Å; V357-I361 PolarHBondContact O-N 3.04Å; A358-I361 PolarHBondContact O-N 3.23Å; I361-G363 VanDerWaalsContact C-N 3.32Å; I361-G363 PolarHBondContact O-N 3.22Å; I361-R364 WeakPolarHBondContact O-CB 3.48Å; I361-R364 PolarHBondContact O-N 2.98Å; I361-I365 HydrophobicContact CG2-CD1 3.7Å; I361-I365 HydrophobicContact CG2-CG1 4.32Å; I361-I365 WeakPolarHBondContact O-CG1 3.37Å; I361-I365 PolarHBondContact O-N 3Å; I361-F501 HydrophobicContact CD1-CE2 4.23Å; I361-F501 HydrophobicContact CD1-CZ 4.47Å; I361-I505 HydrophobicContact CG2-CD1 3.91Å; I361-I505 HydrophobicContact CG2-CG1 4.42Å
362G90Very high86.9Confident0 Ų056 Ų560%027%0.267CS..Hα-helixtrans-58.3-41176.100000112.8A358 S359 R364 I365 S366 I505 V509A358-G362 PolarHBondContact O-N 3.25Å; S359-G362 PolarHBondContact O-N 2.93Å; G362-R364 VanDerWaalsContact C-N 3.33Å; G362-R364 PolarHBondContact O-N 3.34Å; G362-I365 PolarHBondContact O-N 3Å; G362-S366 WeakPolarHBondContact O-CB 3.4Å; G362-S366 PolarHBondContact O-N 2.77Å; G362-I505 WeakPolarHBondContact CA-O 3.45Å; G362-V509 VanDerWaalsContact O-CG2 3.27Å; G362-V509 WeakPolarHBondContact O-CG2 3.48Å
363G85.8Confident86.9Confident3 Ų356.3 Ų56.33%0.03127%0.268CS..Hα-helixtrans-68.2-26.4174.600000114.3S359 Y360 I361 S366S359-G363 PolarHBondContact O-N 3.01Å; Y360-G363 PolarHBondContact O-N 3.18Å; I361-G363 VanDerWaalsContact C-N 3.32Å; I361-G363 PolarHBondContact O-N 3.22Å; G363-S366 PolarHBondContact O-OG 3.46Å
364R88.4Confident86.9Confident143 Ų14357.3 Ų57.354%0.5427%0.265SS..Hα-helixtrans-76.7-42.8170.6-68.8-70.7-65.3-174.50.3111.1Y360 I361 G362 S366 K367Y360-R364 HydrophobicContact CD1-CG 4.45Å; Y360-R364 HydrophobicContact CE1-CG 4.07Å; Y360-R364 WeakPolarHBondContact O-CG 2.97Å; Y360-R364 PolarHBondContact O-N 3.36Å; I361-R364 WeakPolarHBondContact O-CB 3.48Å; I361-R364 PolarHBondContact O-N 2.98Å; G362-R364 VanDerWaalsContact C-N 3.33Å; G362-R364 PolarHBondContact O-N 3.34Å; R364-S366 VanDerWaalsContact C-N 3.3Å; R364-S366 PolarHBondContact O-N 3.4Å; R364-K367 WeakPolarHBondContact O-CB 3.28Å; R364-K367 PolarHBondContact O-N 3.37Å
365I89.7Confident86.8Confident31 Ų3158.6 Ų58.616%0.15927%0.274CS..Hα-helixtrans-63.3-36.3177.6-69.8171.7000111.1I361 G362 K367 L368 F369 F379 I505 V509I361-I365 HydrophobicContact CG2-CD1 3.7Å; I361-I365 HydrophobicContact CG2-CG1 4.32Å; I361-I365 WeakPolarHBondContact O-CG1 3.37Å; I361-I365 PolarHBondContact O-N 3Å; G362-I365 PolarHBondContact O-N 3Å; I365-K367 PolarHBondContact O-N 3.05Å; I365-K367 VanDerWaalsContact O-N 3.08Å; I365-L368 WeakPolarHBondContact O-CA 3.45Å; I365-L368 VanDerWaalsContact O-CB 3.28Å; I365-L368 WeakPolarHBondContact O-CB 3.02Å; I365-L368 PolarHBondContact O-N 3.18Å; I365-F369 HydrophobicContact CG2-CD2 3.86Å; I365-F369 HydrophobicContact CG2-CE2 3.34Å; I365-F369 HydrophobicContact CG2-CZ 4.19Å; I365-F369 PolarHBondContact O-N 3.48Å; I365-F379 HydrophobicContact CD1-CE2 4.16Å; I365-F379 HydrophobicContact CD1-CZ 3.87Å; I365-F379 HydrophobicContact CG2-CE2 4.17Å; I365-F379 HydrophobicContact CG2-CZ 4.13Å; I365-I505 HydrophobicContact CD1-CD1 4.07Å; I365-V509 HydrophobicContact CG2-CG2 4.28Å
366S84.2Confident86.9Confident1 Ų158.6 Ų58.61%0.00727%0.274CS..Hα-helixtrans-61-21179.372.40000114.5G362 G363 R364 F369 E370 S512 R516G362-S366 WeakPolarHBondContact O-CB 3.4Å; G362-S366 PolarHBondContact O-N 2.77Å; G363-S366 PolarHBondContact O-OG 3.46Å; R364-S366 VanDerWaalsContact C-N 3.3Å; R364-S366 PolarHBondContact O-N 3.4Å; S366-F369 CarbonylContact O-C 3.56Å; S366-E370 PolarHBondContact O-N 3.18Å; S366-S512 VanDerWaalsContact CB-OG 3.31Å; S366-S512 WeakPolarHBondContact CB-OG 3.44Å; S366-R516 PolarHBondContact O-NH1 3.01Å
367K81.8Confident87Confident64 Ų6456.1 Ų56.128%0.27826%0.261SS..Hα-helixtrans-73.8-34.3171.2-61.7-173.2174.6-1660112.5R364 I365 F369 E370R364-K367 WeakPolarHBondContact O-CB 3.28Å; R364-K367 PolarHBondContact O-N 3.37Å; I365-K367 PolarHBondContact O-N 3.05Å; I365-K367 VanDerWaalsContact O-N 3.08Å; K367-F369 PolarHBondContact O-N 2.64Å; K367-E370 WeakPolarHBondContact O-CB 3.31Å; K367-E370 PolarHBondContact O-N 2.66Å; K367-E370 VanDerWaalsContact O-N 3.1Å
368L85Confident87.1Confident135 Ų13557.2 Ų57.271%0.70726%0.257SS*.Hα-helixtrans-64.5-28.3174.8-57.1174.5000110.9I365I365-L368 WeakPolarHBondContact O-CA 3.45Å; I365-L368 VanDerWaalsContact O-CB 3.28Å; I365-L368 WeakPolarHBondContact O-CB 3.02Å; I365-L368 PolarHBondContact O-N 3.18Å
369F82.5Confident87.2Confident37 Ų3759 Ų5916%0.16227%0.265CS..THydrogen-bonded Turntrans-95.415.7175.4-56-51.2000113.9I365 S366 K367 N371 R372 P375 F379 V509 R516I365-F369 HydrophobicContact CG2-CD2 3.86Å; I365-F369 HydrophobicContact CG2-CE2 3.34Å; I365-F369 HydrophobicContact CG2-CZ 4.19Å; I365-F369 PolarHBondContact O-N 3.48Å; S366-F369 CarbonylContact O-C 3.56Å; K367-F369 PolarHBondContact O-N 2.64Å; F369-N371 PolarHBondContact O-N 3Å; F369-R372 PolarHBondContact O-N 3.03Å; F369-P375 HydrophobicContact CD1-CB 3.85Å; F369-P375 HydrophobicContact CE1-CB 3.75Å; F369-F379 HydrophobicContact CE2-CB 4.03Å; F369-F379 HydrophobicContact CE2-CD1 4.46Å; F369-F379 HydrophobicContact CE2-CD2 4.17Å; F369-F379 AromaticContact CE2-CG 3.97Å; F369-F379 HydrophobicContact CE2-CG 3.97Å; F369-F379 HydrophobicContact CZ-CB 4.07Å; F369-F379 HydrophobicContact CZ-CD2 4.2Å; F369-F379 HydrophobicContact CZ-CG 4.25Å; F369-V509 HydrophobicContact CD2-CG1 4.19Å; F369-R516 PolarHBondContact O-NH1 2Å
370E71.4Confident87.4Confident64 Ų6459.3 Ų59.330%0.29927%0.267SS..THydrogen-bonded Turntrans-51.3-30.6-170.4-174163.1-177.500114.3S366 K367 R516S366-E370 PolarHBondContact O-N 3.18Å; K367-E370 WeakPolarHBondContact O-CB 3.31Å; K367-E370 PolarHBondContact O-N 2.66Å; K367-E370 VanDerWaalsContact O-N 3.1Å; E370-R516 VanDerWaalsContact CA-NH1 3.34Å; E370-R516 PolarHBondContact O-NE 2.96Å
371N68.1Low87.7Confident104 Ų10454.4 Ų54.456%0.55625%0.249SC*.THydrogen-bonded Turntrans-121.913.5-178.6-63.5-44.4000114.3F369F369-N371 PolarHBondContact O-N 3Å
372R81.6Confident87.9Confident168 Ų16855.3 Ų55.363%0.63426%0.257SS*.  trans-133.595-172.2-54.5-172.5-175.5-174.11.6111.1F369 P375F369-R372 PolarHBondContact O-N 3.03Å; R372-P375 HydrophobicContact CB-CB 4.47Å; R372-P375 HydrophobicContact CB-CG 3.76Å
373F87.2Confident88.3Confident10 Ų1056.8 Ų56.84%0.04426%0.264CS..Hα-helixtrans-65.2-48.2179.2-177.6-100000112.3T306 V310 S376 M377 V517 Y600T306-F373 HydrophobicContact CG2-CE1 3.77Å; T306-F373 HydrophobicContact CG2-CZ 3.82Å; V310-F373 HydrophobicContact CG2-CZ 3.91Å; F373-S376 WeakPolarHBondContact O-CB 3.25Å; F373-S376 PolarHBondContact O-N 3.38Å; F373-M377 HydrophobicContact CD1-CG 4.05Å; F373-M377 HydrophobicContact CD2-CE 3.91Å; F373-M377 HydrophobicContact CE1-CE 4.4Å; F373-M377 HydrophobicContact CE1-CG 3.63Å; F373-M377 HydrophobicContact CE1-SD 3.97Å; F373-M377 HydrophobicContact CE2-CE 3.48Å; F373-M377 VanDerWaalsContact CE2-CE 3.48Å; F373-M377 HydrophobicContact CE2-CG 4.42Å; F373-M377 HydrophobicContact CE2-SD 3.9Å; F373-M377 HydrophobicContact CZ-CE 3.76Å; F373-M377 HydrophobicContact CZ-CG 3.84Å; F373-M377 HydrophobicContact CZ-SD 3.51Å; F373-M377 VanDerWaalsContact CZ-SD 3.51Å; F373-M377 PolarHBondContact O-N 2.93Å; F373-V517 HydrophobicContact CD2-CG2 3.67Å; F373-V517 HydrophobicContact CE2-CG2 3.27Å; F373-V517 HydrophobicContact CZ-CG2 3.95Å; F373-Y600 HydrophobicContact CB-CD1 3.79Å; F373-Y600 HydrophobicContact CB-CE1 3.47Å; F373-Y600 VanDerWaalsContact CB-CE1 3.47Å; F373-Y600 HydrophobicContact CB-CE2 4.29Å; F373-Y600 HydrophobicContact CB-CG 4.3Å; F373-Y600 AromaticContact CD1-CD1 3.69Å; F373-Y600 HydrophobicContact CD1-CD1 3.69Å; F373-Y600 AromaticContact CD1-CD2 3.84Å; F373-Y600 HydrophobicContact CD1-CD2 3.84Å; F373-Y600 HydrophobicContact CD1-CE1 4.22Å; F373-Y600 HydrophobicContact CD1-CE2 4.34Å; F373-Y600 AromaticContact CD1-CG 3.46Å; F373-Y600 HydrophobicContact CD1-CG 3.46Å; F373-Y600 VanDerWaalsContact CD1-CG 3.46Å; F373-Y600 HydrophobicContact CE1-CD2 4.22Å; F373-Y600 HydrophobicContact CE1-CG 4.03Å; F373-Y600 HydrophobicContact CG-CD1 4.05Å; F373-Y600 HydrophobicContact CG-CD2 4.16Å; F373-Y600 HydrophobicContact CG-CE1 4.09Å; F373-Y600 HydrophobicContact CG-CE2 4.19Å; F373-Y600 HydrophobicContact CG-CG 4.06Å
374K91.4Very high88.8Confident88 Ų8857.3 Ų57.338%0.38327%0.269SS..Hα-helixtrans-60.2-48.9-174.9-58.7-176.6-179.1-1750113.7S376 M377 Y378 A597 Y600K374-S376 VanDerWaalsContact C-N 3.26Å; K374-S376 PolarHBondContact O-N 3.37Å; K374-M377 PolarHBondContact O-N 2.8Å; K374-M377 VanDerWaalsContact O-N 3.13Å; K374-Y378 HydrophobicContact CB-CE2 4.26Å; K374-Y378 WeakPolarHBondContact O-CD2 3.39Å; K374-Y378 PolarHBondContact O-N 3.47Å; K374-Y378 VanDerWaalsContact O-N 3.13Å; K374-A597 WeakPolarHBondContact CE-O 3.4Å; K374-Y600 HydrophobicContact CG-CD1 4.46Å
375P92.4Very high89.2Confident49 Ų4956.1 Ų56.132%0.31827%0.272SS..Hα-helixtrans-59-35176.2-26.837.7000114F369 R372 Y378 F379F369-P375 HydrophobicContact CD1-CB 3.85Å; F369-P375 HydrophobicContact CE1-CB 3.75Å; R372-P375 HydrophobicContact CB-CB 4.47Å; R372-P375 HydrophobicContact CB-CG 3.76Å; P375-Y378 PolarHBondContact O-N 2.88Å; P375-F379 WeakPolarHBondContact O-CB 3.38Å; P375-F379 PolarHBondContact O-N 3.32Å
376S92.1Very high89.5Confident0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-62.8-43.2175.3-179.20000111.6F373 K374 F379 V380 V509 S513F373-S376 WeakPolarHBondContact O-CB 3.25Å; F373-S376 PolarHBondContact O-N 3.38Å; K374-S376 VanDerWaalsContact C-N 3.26Å; K374-S376 PolarHBondContact O-N 3.37Å; S376-F379 WeakPolarHBondContact O-CB 3.25Å; S376-F379 PolarHBondContact O-N 3.32Å; S376-V380 WeakPolarHBondContact O-CG2 3.48Å; S376-V380 PolarHBondContact O-N 3.46Å; S376-V380 VanDerWaalsContact O-N 3.08Å; S376-V509 WeakPolarHBondContact OG-CG1 3.36Å; S376-S513 WeakPolarHBondContact CB-OG 3.41Å; S376-S513 PolarHBondContact OG-OG 3.19Å
377M94.6Very high90.1Very high0 Ų059 Ų590%029%0.286CS..Hα-helixtrans-63.7-44.8176.9-57.6-56.510500111.6F373 K374 F379 V380 I381 L593 A597F373-M377 HydrophobicContact CD1-CG 4.05Å; F373-M377 HydrophobicContact CD2-CE 3.91Å; F373-M377 HydrophobicContact CE1-CE 4.4Å; F373-M377 HydrophobicContact CE1-CG 3.63Å; F373-M377 HydrophobicContact CE1-SD 3.97Å; F373-M377 HydrophobicContact CE2-CE 3.48Å; F373-M377 VanDerWaalsContact CE2-CE 3.48Å; F373-M377 HydrophobicContact CE2-CG 4.42Å; F373-M377 HydrophobicContact CE2-SD 3.9Å; F373-M377 HydrophobicContact CZ-CE 3.76Å; F373-M377 HydrophobicContact CZ-CG 3.84Å; F373-M377 HydrophobicContact CZ-SD 3.51Å; F373-M377 VanDerWaalsContact CZ-SD 3.51Å; F373-M377 PolarHBondContact O-N 2.93Å; K374-M377 PolarHBondContact O-N 2.8Å; K374-M377 VanDerWaalsContact O-N 3.13Å; M377-F379 VanDerWaalsContact C-N 3.32Å; M377-F379 PolarHBondContact O-N 3.41Å; M377-V380 PolarHBondContact O-N 3.06Å; M377-I381 VanDerWaalsContact O-CG1 3.31Å; M377-I381 WeakPolarHBondContact O-CG1 3.29Å; M377-I381 PolarHBondContact O-N 3.04Å; M377-L593 HydrophobicContact CG-CD2 4.48Å; M377-L593 HydrophobicContact SD-CD2 3.44Å; M377-L593 WeakPolarHBondContact SD-CD2 3.48Å; M377-A597 HydrophobicContact CB-CB 3.94Å; M377-A597 HydrophobicContact CG-CB 4.14Å
378Y95Very high90.8Very high107 Ų10756.9 Ų56.942%0.4228%0.28SS..Hα-helixtrans-62.1-39.1176.6-66.7-56.8000112.6K374 P375 V380 I381 V382 F594K374-Y378 HydrophobicContact CB-CE2 4.26Å; K374-Y378 WeakPolarHBondContact O-CD2 3.39Å; K374-Y378 PolarHBondContact O-N 3.47Å; K374-Y378 VanDerWaalsContact O-N 3.13Å; P375-Y378 PolarHBondContact O-N 2.88Å; Y378-V380 VanDerWaalsContact C-N 3.35Å; Y378-V380 PolarHBondContact O-N 3.02Å; Y378-I381 HydrophobicContact CD1-CD1 4.27Å; Y378-I381 PolarHBondContact O-N 3.02Å; Y378-V382 WeakPolarHBondContact O-CG2 3.48Å; Y378-V382 PolarHBondContact O-N 3.06Å; Y378-F594 HydrophobicContact CE1-CD2 4.17Å; Y378-F594 HydrophobicContact CE1-CE2 4.36Å
379F95.4Very high91.3Very high38 Ų3852.6 Ų52.617%0.16727%0.269CS..Hα-helixtrans-58.1-47173.8176.8-89.1000111.5I365 F369 P375 S376 M377 I381 V382 F383 I505 V509I365-F379 HydrophobicContact CD1-CE2 4.16Å; I365-F379 HydrophobicContact CD1-CZ 3.87Å; I365-F379 HydrophobicContact CG2-CE2 4.17Å; I365-F379 HydrophobicContact CG2-CZ 4.13Å; F369-F379 HydrophobicContact CE2-CB 4.03Å; F369-F379 HydrophobicContact CE2-CD1 4.46Å; F369-F379 HydrophobicContact CE2-CD2 4.17Å; F369-F379 AromaticContact CE2-CG 3.97Å; F369-F379 HydrophobicContact CE2-CG 3.97Å; F369-F379 HydrophobicContact CZ-CB 4.07Å; F369-F379 HydrophobicContact CZ-CD2 4.2Å; F369-F379 HydrophobicContact CZ-CG 4.25Å; P375-F379 WeakPolarHBondContact O-CB 3.38Å; P375-F379 PolarHBondContact O-N 3.32Å; S376-F379 WeakPolarHBondContact O-CB 3.25Å; S376-F379 PolarHBondContact O-N 3.32Å; M377-F379 VanDerWaalsContact C-N 3.32Å; M377-F379 PolarHBondContact O-N 3.41Å; F379-I381 VanDerWaalsContact C-N 3.35Å; F379-I381 PolarHBondContact O-N 2.85Å; F379-V382 PolarHBondContact O-N 3.28Å; F379-F383 HydrophobicContact CD1-CD2 4.21Å; F379-F383 HydrophobicContact CD2-CD2 4.22Å; F379-F383 HydrophobicContact CD2-CE2 4.06Å; F379-F383 AromaticContact CE1-CD2 3.8Å; F379-F383 HydrophobicContact CE1-CD2 3.8Å; F379-F383 HydrophobicContact CE1-CE2 4.02Å; F379-F383 AromaticContact CE2-CD2 3.84Å; F379-F383 HydrophobicContact CE2-CD2 3.84Å; F379-F383 AromaticContact CE2-CE2 3.35Å; F379-F383 HydrophobicContact CE2-CE2 3.35Å; F379-F383 HydrophobicContact CE2-CZ 4.36Å; F379-F383 HydrophobicContact CG-CD2 4.39Å; F379-F383 AromaticContact CZ-CD2 3.6Å; F379-F383 HydrophobicContact CZ-CD2 3.6Å; F379-F383 AromaticContact CZ-CE2 3.31Å; F379-F383 HydrophobicContact CZ-CE2 3.31Å; F379-F383 HydrophobicContact CZ-CZ 4.16Å; F379-F383 WeakPolarHBondContact O-CD2 3.25Å; F379-F383 PolarHBondContact O-N 2.82Å; F379-F383 VanDerWaalsContact O-N 3.16Å; F379-I505 HydrophobicContact CZ-CD1 4.15Å; F379-I505 HydrophobicContact CZ-CG1 4.28Å; F379-V509 HydrophobicContact CD1-CG1 4.12Å; F379-V509 HydrophobicContact CD1-CG2 4.44Å; F379-V509 HydrophobicContact CE1-CG2 4.1Å
380V95.6Very high92Very high10 Ų1051.7 Ų51.76%0.06127%0.267CS..Hα-helixtrans-64.8-38.4177.9178.40000111.5S376 M377 Y378 F383 G384 T506 V509 L510 L593S376-V380 WeakPolarHBondContact O-CG2 3.48Å; S376-V380 PolarHBondContact O-N 3.46Å; S376-V380 VanDerWaalsContact O-N 3.08Å; M377-V380 PolarHBondContact O-N 3.06Å; Y378-V380 VanDerWaalsContact C-N 3.35Å; Y378-V380 PolarHBondContact O-N 3.02Å; V380-F383 PolarHBondContact O-N 3.22Å; V380-G384 PolarHBondContact O-N 2.92Å; V380-T506 HydrophobicContact CB-CG2 4.46Å; V380-T506 HydrophobicContact CG1-CG2 4.22Å; V380-T506 HydrophobicContact CG2-CG2 4.39Å; V380-V509 HydrophobicContact CG2-CG1 4.21Å; V380-L510 HydrophobicContact CG2-CB 4.5Å; V380-L593 HydrophobicContact CB-CD1 3.96Å; V380-L593 HydrophobicContact CG1-CD1 3.46Å; V380-L593 VanDerWaalsContact CG1-CD1 3.46Å
381I97Very high93.1Very high28 Ų2848.7 Ų48.714%0.14425%0.253CS..Hα-helixtrans-60.9-47.1176-67.9165.9000111M377 Y378 F379 F383 G384 I385 L593 F594M377-I381 VanDerWaalsContact O-CG1 3.31Å; M377-I381 WeakPolarHBondContact O-CG1 3.29Å; M377-I381 PolarHBondContact O-N 3.04Å; Y378-I381 HydrophobicContact CD1-CD1 4.27Å; Y378-I381 PolarHBondContact O-N 3.02Å; F379-I381 VanDerWaalsContact C-N 3.35Å; F379-I381 PolarHBondContact O-N 2.85Å; I381-F383 PolarHBondContact O-N 3.09Å; I381-G384 WeakPolarHBondContact O-CA 3.49Å; I381-G384 PolarHBondContact O-N 3.36Å; I381-G384 VanDerWaalsContact O-N 3.13Å; I381-I385 HydrophobicContact CG2-CD1 4.1Å; I381-I385 WeakPolarHBondContact O-CG1 3.28Å; I381-I385 PolarHBondContact O-N 3.33Å; I381-L593 HydrophobicContact CD1-CB 3.84Å; I381-L593 HydrophobicContact CG1-CB 3.69Å; I381-L593 HydrophobicContact CG1-CD1 4.1Å; I381-F594 HydrophobicContact CD1-CB 4.19Å
382V97.4Very high94.4Very high81 Ų8145.5 Ų45.549%0.49124%0.239SC..Hα-helixtrans-59.9-49.1179.91710000111Y378 F379 G384 I385 M386Y378-V382 WeakPolarHBondContact O-CG2 3.48Å; Y378-V382 PolarHBondContact O-N 3.06Å; F379-V382 PolarHBondContact O-N 3.28Å; V382-G384 VanDerWaalsContact C-N 3.27Å; V382-G384 PolarHBondContact O-N 2.88Å; V382-I385 PolarHBondContact O-N 3.49Å; V382-M386 HydrophobicContact CG1-SD 4.4Å; V382-M386 WeakPolarHBondContact O-CG 3.42Å; V382-M386 PolarHBondContact O-N 2.83Å
383F96.9Very high95Very high32 Ų3237.5 Ų37.514%0.1421%0.209CC..Hα-helixtrans-67.3-28.3176.4-86-83.5000112.8F379 V380 I381 M386 A387 F501 C502 I505 T506F379-F383 HydrophobicContact CD1-CD2 4.21Å; F379-F383 HydrophobicContact CD2-CD2 4.22Å; F379-F383 HydrophobicContact CD2-CE2 4.06Å; F379-F383 AromaticContact CE1-CD2 3.8Å; F379-F383 HydrophobicContact CE1-CD2 3.8Å; F379-F383 HydrophobicContact CE1-CE2 4.02Å; F379-F383 AromaticContact CE2-CD2 3.84Å; F379-F383 HydrophobicContact CE2-CD2 3.84Å; F379-F383 AromaticContact CE2-CE2 3.35Å; F379-F383 HydrophobicContact CE2-CE2 3.35Å; F379-F383 HydrophobicContact CE2-CZ 4.36Å; F379-F383 HydrophobicContact CG-CD2 4.39Å; F379-F383 AromaticContact CZ-CD2 3.6Å; F379-F383 HydrophobicContact CZ-CD2 3.6Å; F379-F383 AromaticContact CZ-CE2 3.31Å; F379-F383 HydrophobicContact CZ-CE2 3.31Å; F379-F383 HydrophobicContact CZ-CZ 4.16Å; F379-F383 WeakPolarHBondContact O-CD2 3.25Å; F379-F383 PolarHBondContact O-N 2.82Å; F379-F383 VanDerWaalsContact O-N 3.16Å; V380-F383 PolarHBondContact O-N 3.22Å; I381-F383 PolarHBondContact O-N 3.09Å; F383-M386 HydrophobicContact CD1-SD 4.33Å; F383-M386 HydrophobicContact CE1-SD 4.42Å; F383-M386 PolarHBondContact O-N 3.25Å; F383-A387 VanDerWaalsContact O-CB 3.31Å; F383-A387 WeakPolarHBondContact O-CB 3.22Å; F383-A387 PolarHBondContact O-N 3.16Å; F383-F501 HydrophobicContact CE1-CD1 4.41Å; F383-F501 HydrophobicContact CE1-CE1 4.07Å; F383-C502 HydrophobicContact CD1-CB 4.11Å; F383-I505 HydrophobicContact CD1-CG2 3.59Å; F383-I505 HydrophobicContact CD2-CG2 4.48Å; F383-I505 HydrophobicContact CE1-CD1 4.25Å; F383-I505 HydrophobicContact CE1-CG2 3.78Å; F383-I505 HydrophobicContact CG-CG2 3.95Å; F383-I505 HydrophobicContact CZ-CD1 4.01Å; F383-I505 HydrophobicContact CZ-CG2 4.33Å; F383-T506 HydrophobicContact CB-CG2 3.45Å; F383-T506 VanDerWaalsContact CB-CG2 3.45Å; F383-T506 HydrophobicContact CG-CG2 4.2Å
384G96.4Very high95.3Very high14 Ų1437.2 Ų37.214%0.14421%0.208CC..Hα-helixtrans-64.3-41.6171.700000112.9V380 I381 V382 A387 A388V380-G384 PolarHBondContact O-N 2.92Å; I381-G384 WeakPolarHBondContact O-CA 3.49Å; I381-G384 PolarHBondContact O-N 3.36Å; I381-G384 VanDerWaalsContact O-N 3.13Å; V382-G384 VanDerWaalsContact C-N 3.27Å; V382-G384 PolarHBondContact O-N 2.88Å; G384-A387 PolarHBondContact O-N 3.12Å; G384-A388 PolarHBondContact O-N 3.04Å
385I96.9Very high95.4Very high118 Ų11835 Ų3561%0.60520%0.2SC*.Hα-helixtrans-66.1-44174.4-64.9165.5000110.3I381 V382 A387 A388 G389I381-I385 HydrophobicContact CG2-CD1 4.1Å; I381-I385 WeakPolarHBondContact O-CG1 3.28Å; I381-I385 PolarHBondContact O-N 3.33Å; V382-I385 PolarHBondContact O-N 3.49Å; I385-A387 VanDerWaalsContact C-N 3.34Å; I385-A387 PolarHBondContact O-N 3.21Å; I385-A388 WeakPolarHBondContact O-CB 3.41Å; I385-A388 PolarHBondContact O-N 3.4Å; I385-G389 PolarHBondContact O-N 2.73Å
386M97Very high95.5Very high92 Ų9234.3 Ų34.345%0.45319%0.193SC..Hα-helixtrans-60.7-42.8175.2-68.117764.700111.8V382 F383 A388 G389 C390V382-M386 HydrophobicContact CG1-SD 4.4Å; V382-M386 WeakPolarHBondContact O-CG 3.42Å; V382-M386 PolarHBondContact O-N 2.83Å; F383-M386 HydrophobicContact CD1-SD 4.33Å; F383-M386 HydrophobicContact CE1-SD 4.42Å; F383-M386 PolarHBondContact O-N 3.25Å; M386-A388 VanDerWaalsContact C-N 3.34Å; M386-A388 PolarHBondContact O-N 2.79Å; M386-G389 PolarHBondContact O-N 3.45Å; M386-C390 PolarHBondContact O-N 2.99Å; M386-C390 PolarHBondContact O-SG 3.02Å
387A96.4Very high95.4Very high0 Ų038.4 Ų38.40%021%0.209CC..Hα-helixtrans-61.5-41175.200000111.8F383 G384 I385 G389 C390 S391 L499 C502F383-A387 VanDerWaalsContact O-CB 3.31Å; F383-A387 WeakPolarHBondContact O-CB 3.22Å; F383-A387 PolarHBondContact O-N 3.16Å; G384-A387 PolarHBondContact O-N 3.12Å; I385-A387 VanDerWaalsContact C-N 3.34Å; I385-A387 PolarHBondContact O-N 3.21Å; A387-G389 VanDerWaalsContact C-N 3.3Å; A387-G389 PolarHBondContact O-N 2.85Å; A387-C390 PolarHBondContact O-N 3.25Å; A387-S391 PolarHBondContact O-N 3.04Å; A387-L499 HydrophobicContact CB-CD1 4.09Å; A387-L499 VanDerWaalsContact O-CD1 3.26Å; A387-L499 WeakPolarHBondContact O-CD1 3.15Å; A387-C502 HydrophobicContact CB-CB 3.82Å
388A96.5Very high95.2Very high19 Ų1939.2 Ų39.216%0.15721%0.214CC..Hα-helixtrans-63.7-34.1175.200000112.8G384 I385 M386 S391 K586G384-A388 PolarHBondContact O-N 3.04Å; I385-A388 WeakPolarHBondContact O-CB 3.41Å; I385-A388 PolarHBondContact O-N 3.4Å; M386-A388 VanDerWaalsContact C-N 3.34Å; M386-A388 PolarHBondContact O-N 2.79Å; A388-S391 PolarHBondContact O-OG 3.1Å; A388-K586 HydrophobicContact CB-CB 3.92Å; A388-K586 HydrophobicContact CB-CG 4.21Å
389G96Very high94.7Very high45 Ų4540 Ų4046%0.46422%0.221SC..Hα-helixtrans-70-42.8171.400000112.5I385 M386 A387 S391 S392I385-G389 PolarHBondContact O-N 2.73Å; M386-G389 PolarHBondContact O-N 3.45Å; A387-G389 VanDerWaalsContact C-N 3.3Å; A387-G389 PolarHBondContact O-N 2.85Å; G389-S391 VanDerWaalsContact C-N 3.27Å; G389-S391 PolarHBondContact O-N 3.4Å; G389-S392 WeakPolarHBondContact O-CB 3.12Å; G389-S392 PolarHBondContact O-N 3.46Å; G389-S392 PolarHBondContact O-OG 3.34Å
390C96.2Very high93.8Very high19 Ų1941.7 Ų41.713%0.12824%0.238CC..Hα-helixtrans-69.2-23.7-179-63.80000113.2M386 A387 S392 C393 A498 L499M386-C390 PolarHBondContact O-N 2.99Å; M386-C390 PolarHBondContact O-SG 3.02Å; A387-C390 PolarHBondContact O-N 3.25Å; C390-S392 PolarHBondContact O-N 3.36Å; C390-S392 VanDerWaalsContact O-N 3.09Å; C390-C393 WeakPolarHBondContact O-CB 3.4Å; C390-C393 PolarHBondContact O-N 3.21Å; C390-C393 VanDerWaalsContact O-N 3.1Å; C390-C393 PolarHBondContact O-SG 3.2Å; C390-A498 HydrophobicContact CB-CB 4.42Å; C390-L499 HydrophobicContact CB-CB 3.81Å; C390-L499 HydrophobicContact CB-CD1 4.34Å
391S95.2Very high93.3Very high0 Ų043.2 Ų43.20%025%0.246CC..G310 helixtrans-64.5-11.4176.271.90000113.5A387 A388 G389 C393 L394 F579A387-S391 PolarHBondContact O-N 3.04Å; A388-S391 PolarHBondContact O-OG 3.1Å; G389-S391 VanDerWaalsContact C-N 3.27Å; G389-S391 PolarHBondContact O-N 3.4Å; S391-C393 PolarHBondContact O-N 3.34Å; S391-L394 WeakPolarHBondContact O-CB 3.3Å; S391-L394 VanDerWaalsContact O-CG 3.31Å; S391-L394 WeakPolarHBondContact O-CG 3.32Å; S391-L394 PolarHBondContact O-N 3.47Å; S391-F579 WeakPolarHBondContact O-CD2 3.29Å; S391-F579 WeakPolarHBondContact OG-CD2 3.09Å; S391-F579 WeakPolarHBondContact OG-CE2 3.22Å
392S95.3Very high92.9Very high38 Ų3844.1 Ų44.127%0.26625%0.251SS..G310 helixtrans-56.8-16.4168.158.60000113.2G389 C390 L394 L395 M495G389-S392 WeakPolarHBondContact O-CB 3.12Å; G389-S392 PolarHBondContact O-N 3.46Å; G389-S392 PolarHBondContact O-OG 3.34Å; C390-S392 PolarHBondContact O-N 3.36Å; C390-S392 VanDerWaalsContact O-N 3.09Å; S392-L394 PolarHBondContact O-N 2.6Å; S392-L394 VanDerWaalsContact O-N 3.14Å; S392-L395 WeakPolarHBondContact O-CB 3.45Å; S392-L395 PolarHBondContact O-N 3.48Å; S392-M495 WeakPolarHBondContact OG-CE 3.08Å
393C94.3Very high92.4Very high0 Ų040.4 Ų40.40%023%0.228CC..G310 helixtrans-51.4-33.316871.20000112.6C390 S391 L395 I396 F492 M495C390-C393 WeakPolarHBondContact O-CB 3.4Å; C390-C393 PolarHBondContact O-N 3.21Å; C390-C393 VanDerWaalsContact O-N 3.1Å; C390-C393 PolarHBondContact O-SG 3.2Å; S391-C393 PolarHBondContact O-N 3.34Å; C393-L395 PolarHBondContact O-N 2.99Å; C393-I396 VanDerWaalsContact O-CB 3.3Å; C393-I396 WeakPolarHBondContact O-CB 3.31Å; C393-I396 PolarHBondContact O-N 2.93Å; C393-F492 HydrophobicContact CB-CD2 4.39Å; C393-F492 HydrophobicContact CB-CE2 4.48Å; C393-F492 WeakPolarHBondContact O-CD2 3.24Å; C393-F492 WeakPolarHBondContact O-CE2 3.28Å; C393-M495 HydrophobicContact CB-CB 3.48Å; C393-M495 VanDerWaalsContact CB-CB 3.48Å
394L93.4Very high92Very high4 Ų439.8 Ų39.82%0.02123%0.225CC..G310 helixtrans-68.3-15.9-179.4-60.9173.3000113.7Y324 L331 L335 S391 S392 I396 G575 F578Y324-L394 HydrophobicContact CE1-CD1 4.02Å; Y324-L394 VanDerWaalsContact OH-CD1 3.25Å; Y324-L394 WeakPolarHBondContact OH-CD1 3.42Å; L331-L394 HydrophobicContact CD2-CD2 3.8Å; L335-L394 HydrophobicContact CD1-CD2 4.49Å; S391-L394 WeakPolarHBondContact O-CB 3.3Å; S391-L394 VanDerWaalsContact O-CG 3.31Å; S391-L394 WeakPolarHBondContact O-CG 3.32Å; S391-L394 PolarHBondContact O-N 3.47Å; S392-L394 PolarHBondContact O-N 2.6Å; S392-L394 VanDerWaalsContact O-N 3.14Å; L394-I396 VanDerWaalsContact C-N 3.35Å; L394-G575 WeakPolarHBondContact O-CA 3.42Å; L394-F578 HydrophobicContact CD1-CB 3.95Å
395L94.6Very high91.3Very high41 Ų4142.3 Ų42.322%0.21525%0.251CS..G310 helixtrans-83.6-17.6174.3-54.8-179.2000111.9S392 C393 R397 W576 F579S392-L395 WeakPolarHBondContact O-CB 3.45Å; S392-L395 PolarHBondContact O-N 3.48Å; C393-L395 PolarHBondContact O-N 2.99Å; L395-R397 PolarHBondContact O-NH1 3.49Å; L395-W576 HydrophobicContact CD1-CE3 4.29Å; L395-W576 HydrophobicContact CD1-CH2 3.84Å; L395-W576 HydrophobicContact CD1-CZ2 4.31Å; L395-W576 HydrophobicContact CD1-CZ3 3.83Å; L395-W576 HydrophobicContact CD2-CD2 3.53Å; L395-W576 HydrophobicContact CD2-CE3 3.53Å; L395-W576 HydrophobicContact CD2-CG 4Å; L395-W576 HydrophobicContact CD2-CH2 4.33Å; L395-W576 HydrophobicContact CD2-CZ2 4.33Å; L395-W576 HydrophobicContact CD2-CZ3 3.95Å; L395-F579 HydrophobicContact CD1-CD1 3.96Å; L395-F579 HydrophobicContact CD1-CD2 4.48Å; L395-F579 HydrophobicContact CD1-CE1 3.95Å; L395-F579 HydrophobicContact CD1-CG 4.2Å; L395-F579 HydrophobicContact CD1-CZ 4.2Å; L395-F579 HydrophobicContact CD2-CB 3.75Å; L395-F579 HydrophobicContact CD2-CD1 4.02Å; L395-F579 HydrophobicContact CD2-CG 3.93Å; L395-F579 HydrophobicContact CG-CB 4.29Å; L395-F579 HydrophobicContact CG-CD1 4.26Å; L395-F579 HydrophobicContact CG-CD2 4.41Å; L395-F579 HydrophobicContact CG-CG 4.07Å
396I93.2Very high90.7Very high35 Ų3538.1 Ų38.118%0.17923%0.231CC..  trans-79.3121.1177.7-53.5174.8000108.2C393 L394 Q488 Q491 F492C393-I396 VanDerWaalsContact O-CB 3.3Å; C393-I396 WeakPolarHBondContact O-CB 3.31Å; C393-I396 PolarHBondContact O-N 2.93Å; L394-I396 VanDerWaalsContact C-N 3.35Å; I396-Q488 HydrophobicContact CG2-CB 3.82Å; I396-Q488 HydrophobicContact CG2-CG 4.45Å; I396-Q488 VanDerWaalsContact CG2-O 3.29Å; I396-Q488 WeakPolarHBondContact CG2-O 3.14Å; I396-Q491 HydrophobicContact CD1-CB 3.87Å; I396-Q491 HydrophobicContact CG2-CB 4.49Å; I396-F492 HydrophobicContact CB-CB 4.37Å; I396-F492 HydrophobicContact CB-CD2 4.38Å; I396-F492 HydrophobicContact CG2-CB 4.17Å
397R90.7Very high90.3Very high86 Ų8635.6 Ų35.633%0.32522%0.219SC..  trans-142.3158.1-177.659.3-179.3178.9-88.53.9110.6L335 L395 S572L335-R397 HydrophobicContact CD2-CB 4.49Å; L335-R397 WeakPolarHBondContact O-CA 3.34Å; L395-R397 PolarHBondContact O-NH1 3.49Å; R397-S572 VanDerWaalsContact CZ-CB 3.5Å; R397-S572 PolarHBondContact NH2-OG 2.89Å; R397-S572 VanDerWaalsContact NH2-OG 3.09Å
398C89.7Confident89.8Confident16 Ų1636.2 Ų36.211%0.10822%0.223CC..PPolyproline II helixtrans-64.6160.4165.7-56.30000110.8L335 L336 S400 C485L335-C398 PolarHBondContact O-N 3.5Å; L336-C398 WeakPolarHBondContact CA-SG 3.24Å; L336-C398 PolarHBondContact O-SG 3.44Å; C398-S400 PolarHBondContact O-N 3.28Å; C398-C485 WeakPolarHBondContact CA-SG 3.27Å; C398-C485 HydrophobicContact CB-CB 3.73Å; C398-C485 WeakPolarHBondContact CB-SG 3.33Å; C398-C485 WeakPolarHBondContact SG-CB 3.26Å; C398-C485 CovalentContact SG-SG 2Å; C398-C485 PolarHBondContact SG-SG 3.14Å
399E84Confident89.2Confident123 Ų12338.7 Ų38.758%0.57524%0.237SC*.PPolyproline II helixtrans-54.2132.2165.7-171.4171.6-169.300109.5L401E399-L401 PolarHBondContact O-N 3.24Å
400S78.1Confident88.3Confident75 Ų7539.2 Ų39.252%0.52423%0.234SC..PPolyproline II helixtrans-65.7130.4-177.949.10000110.1C398 N402C398-S400 PolarHBondContact O-N 3.28Å; S400-N402 PolarHBondContact O-N 2.91Å
401L84.4Confident87.6Confident42 Ų4242.8 Ų42.822%0.2226%0.259CS..PPolyproline II helixtrans-59.6130.8172.4-69.7162.5000109.9E399 V403 N407 Y480 C481 A483 F568E399-L401 PolarHBondContact O-N 3.24Å; L401-V403 HydrophobicContact CB-CG2 4.32Å; L401-V403 PolarHBondContact O-N 3.02Å; L401-N407 PolarHBondContact O-ND2 3.48Å; L401-Y480 HydrophobicContact CD1-CD1 3.72Å; L401-Y480 HydrophobicContact CD1-CE1 4.37Å; L401-Y480 HydrophobicContact CD1-CG 3.93Å; L401-C481 WeakPolarHBondContact CD2-O 3.18Å; L401-A483 HydrophobicContact CD2-CB 4.43Å; L401-F568 HydrophobicContact CB-CE2 4.21Å; L401-F568 HydrophobicContact CB-CZ 4.31Å; L401-F568 HydrophobicContact CD1-CE2 4.46Å
402N87.9Confident87Confident46 Ų4646 Ų4625%0.24628%0.276CS..  trans-83.6108.4173.7-68.2-34000108.9S400 V408 Y416 L442 T443S400-N402 PolarHBondContact O-N 2.91Å; N402-V408 HydrophobicContact CB-CG2 3.74Å; N402-Y416 PolarHBondContact ND2-OH 3.49Å; N402-L442 HydrophobicContact CB-CD2 3.85Å; N402-T443 PolarHBondContact O-N 3.36Å
403V88Confident86.3Confident4 Ų444.4 Ų44.42%0.02427%0.265CS..BIsolated β-bridgetrans-109118.9-177.3-174.80000109.6L401 G405 V406 N407 T443 L445 F568L401-V403 HydrophobicContact CB-CG2 4.32Å; L401-V403 PolarHBondContact O-N 3.02Å; V403-G405 PolarHBondContact O-N 3.08Å; V403-V406 HydrophobicContact CB-CB 4.06Å; V403-V406 HydrophobicContact CB-CG2 4.38Å; V403-V406 HydrophobicContact CG1-CB 3.94Å; V403-V406 HydrophobicContact CG1-CG2 3.7Å; V403-V406 PolarHBondContact O-N 3.5Å; V403-N407 WeakPolarHBondContact CA-OD1 3.26Å; V403-N407 PolarHBondContact N-OD1 2.69Å; V403-N407 PolarHBondContact O-N 3.34Å; V403-N407 PolarHBondContact O-OD1 3.17Å; V403-N407 VanDerWaalsContact O-OD1 3.11Å; V403-T443 CarbonylContact C-O 3.58Å; V403-T443 VanDerWaalsContact CA-O 3.26Å; V403-T443 WeakPolarHBondContact CA-O 3.43Å; V403-L445 HydrophobicContact CG1-CD2 4.01Å; V403-L445 HydrophobicContact CG1-CG 4.35Å; V403-F568 HydrophobicContact CG2-CD1 4.47Å; V403-F568 HydrophobicContact CG2-CD2 4.21Å; V403-F568 HydrophobicContact CG2-CE1 4.09Å; V403-F568 HydrophobicContact CG2-CE2 3.81Å; V403-F568 HydrophobicContact CG2-CZ 3.74Å
404Y87.2Confident85.5Confident19 Ų1949 Ų498%0.07530%0.295CS..THydrogen-bonded Turntrans-57.2131.6177.6-179.5-91000111V406 L413 A418 L419 E420 T443 F444Y404-V406 PolarHBondContact O-N 3.46Å; Y404-L413 HydrophobicContact CD2-CD2 3.42Å; Y404-L413 VanDerWaalsContact CD2-CD2 3.42Å; Y404-L413 HydrophobicContact CE2-CD1 3.85Å; Y404-L413 HydrophobicContact CE2-CD2 3.47Å; Y404-L413 VanDerWaalsContact CE2-CD2 3.47Å; Y404-L413 HydrophobicContact CE2-CG 4.3Å; Y404-A418 HydrophobicContact CD2-CB 4.11Å; Y404-A418 HydrophobicContact CE2-CB 4.05Å; Y404-L419 PolarHBondContact OH-O 3.16Å; Y404-E420 VanDerWaalsContact OH-C 3.31Å; Y404-E420 WeakPolarHBondContact OH-CA 3.5Å; Y404-E420 PolarHBondContact OH-O 3.32Å; Y404-T443 PolarHBondContact N-O 3.16Å; Y404-F444 VanDerWaalsContact CB-CD1 3.49Å; Y404-F444 AromaticContact CD1-CD1 3.87Å; Y404-F444 HydrophobicContact CD1-CD1 3.87Å; Y404-F444 HydrophobicContact CD1-CE1 4.01Å; Y404-F444 HydrophobicContact CD2-CD1 4.41Å; Y404-F444 AromaticContact CD2-CE1 3.8Å; Y404-F444 HydrophobicContact CD2-CE1 3.8Å; Y404-F444 AromaticContact CG-CD1 3.67Å; Y404-F444 HydrophobicContact CG-CD1 3.67Å; Y404-F444 AromaticContact CG-CE1 3.51Å; Y404-F444 HydrophobicContact CG-CE1 3.51Å
405G82.5Confident84.7Confident66 Ų6658.8 Ų58.868%0.6833%0.331SS*.THydrogen-bonded Turntrans73.43.8179.500000115.5V403V403-G405 PolarHBondContact O-N 3.08Å
406V85.5Confident83.6Confident31 Ų3159.7 Ų59.719%0.18833%0.332CS..THydrogen-bonded Turntrans-120.9-61.2-177.9-177.80000112.4V403 Y404 L445 M555 Y556 F568V403-V406 HydrophobicContact CB-CB 4.06Å; V403-V406 HydrophobicContact CB-CG2 4.38Å; V403-V406 HydrophobicContact CG1-CB 3.94Å; V403-V406 HydrophobicContact CG1-CG2 3.7Å; V403-V406 PolarHBondContact O-N 3.5Å; Y404-V406 PolarHBondContact O-N 3.46Å; V406-L445 HydrophobicContact CG2-CD1 4.1Å; V406-L445 HydrophobicContact CG2-CD2 4.1Å; V406-L445 HydrophobicContact CG2-CG 4.32Å; V406-M555 HydrophobicContact CG1-CB 3.75Å; V406-M555 HydrophobicContact CG1-CE 4.46Å; V406-Y556 HydrophobicContact CG2-CD2 4.15Å; V406-Y556 HydrophobicContact CG2-CG 4.36Å; V406-F568 HydrophobicContact CG1-CD1 3.76Å; V406-F568 HydrophobicContact CG1-CE1 4.39Å
407N87.2Confident82.3Confident39 Ų3958.9 Ų58.921%0.20933%0.332CS..THydrogen-bonded Turntrans-122.1-4.6-176.172-24000114.1L401 V403 P409 M555 F568L401-N407 PolarHBondContact O-ND2 3.48Å; V403-N407 WeakPolarHBondContact CA-OD1 3.26Å; V403-N407 PolarHBondContact N-OD1 2.69Å; V403-N407 PolarHBondContact O-N 3.34Å; V403-N407 PolarHBondContact O-OD1 3.17Å; V403-N407 VanDerWaalsContact O-OD1 3.11Å; N407-P409 WeakPolarHBondContact O-CD 3.46Å; N407-M555 HydrophobicContact CB-CE 3.38Å; N407-M555 HydrophobicContact CB-SD 4.23Å; N407-F568 HydrophobicContact CB-CE1 4.42Å
408V86.2Confident81.4Confident12 Ų1255 Ų557%0.07332%0.319CS..SBendtrans-95.7112.8171.6-176.60000108.1N402 D412 L413 Y416 L442N402-V408 HydrophobicContact CB-CG2 3.74Å; V408-D412 HydrophobicContact CG1-CB 4.21Å; V408-L413 HydrophobicContact CG1-CD2 3.96Å; V408-Y416 HydrophobicContact CG1-CD2 3.92Å; V408-Y416 HydrophobicContact CG1-CE2 3.79Å; V408-L442 HydrophobicContact CG2-CD2 3.96Å
409P83.5Confident80.4Confident72 Ų7259.7 Ų59.747%0.46834%0.342SS..  trans-62149174.9-2032.3000111.3N407 S411 D412 L413N407-P409 WeakPolarHBondContact O-CD 3.46Å; P409-S411 PolarHBondContact O-N 3.46Å; P409-S411 VanDerWaalsContact O-N 3.11Å; P409-D412 PolarHBondContact O-N 2.93Å; P409-L413 PolarHBondContact O-N 3.4Å
410S78.6Confident79.6Confident56 Ų5659.4 Ų59.439%0.39234%0.341SS..G310 helixtrans-53.3-34.8179-600000113.9D412 L413 E420S410-D412 PolarHBondContact O-N 3.29Å; S410-L413 WeakPolarHBondContact O-CB 3.3Å; S410-L413 PolarHBondContact O-N 3.34Å; S410-E420 VanDerWaalsContact CB-CD 3.42Å; S410-E420 WeakPolarHBondContact CB-OE1 3.43Å; S410-E420 PolarHBondContact OG-OE1 3.04Å
411S80.9Confident79.5Confident93 Ų9360 Ų6065%0.6534%0.341SS*.G310 helixtrans-60.3-2817859.90000113.9P409 P414P409-S411 PolarHBondContact O-N 3.46Å; P409-S411 VanDerWaalsContact O-N 3.11Å; S411-P414 WeakPolarHBondContact O-CD 3.19Å
412D81.7Confident79.3Confident67 Ų6759.4 Ų59.436%0.35834%0.341SS..G310 helixtrans-97.3-12.6-174.8-69.13.7000111.8V408 P409 S410 P414 R415 Y416V408-D412 HydrophobicContact CG1-CB 4.21Å; P409-D412 PolarHBondContact O-N 2.93Å; S410-D412 PolarHBondContact O-N 3.29Å; D412-P414 VanDerWaalsContact C-N 3.33Å; D412-R415 WeakPolarHBondContact O-CB 3.35Å; D412-R415 PolarHBondContact O-N 3.39Å; D412-Y416 HydrophobicContact CB-CE2 4.29Å; D412-Y416 WeakPolarHBondContact O-CD2 3.2Å
413L80.2Confident79Confident6 Ų658.2 Ų58.23%0.03134%0.336CS..G310 helixtrans-52.6-41.4177.1-67.5173.7000113.7Y404 V408 P409 S410 R415 Y416 G417 A418 E420Y404-L413 HydrophobicContact CD2-CD2 3.42Å; Y404-L413 VanDerWaalsContact CD2-CD2 3.42Å; Y404-L413 HydrophobicContact CE2-CD1 3.85Å; Y404-L413 HydrophobicContact CE2-CD2 3.47Å; Y404-L413 VanDerWaalsContact CE2-CD2 3.47Å; Y404-L413 HydrophobicContact CE2-CG 4.3Å; V408-L413 HydrophobicContact CG1-CD2 3.96Å; P409-L413 PolarHBondContact O-N 3.4Å; S410-L413 WeakPolarHBondContact O-CB 3.3Å; S410-L413 PolarHBondContact O-N 3.34Å; L413-R415 PolarHBondContact O-N 2.99Å; L413-Y416 CarbonylContact O-C 3.59Å; L413-Y416 PolarHBondContact O-N 3.34Å; L413-G417 PolarHBondContact O-N 2.98Å; L413-G417 VanDerWaalsContact O-N 3.12Å; L413-A418 CarbonylContact C-O 3.56Å; L413-A418 HydrophobicContact CB-CB 4.36Å; L413-A418 HydrophobicContact CD2-CB 4.09Å; L413-A418 PolarHBondContact O-N 2.83Å; L413-A418 VanDerWaalsContact O-N 3.09Å; L413-E420 HydrophobicContact CD1-CB 3.96Å; L413-E420 HydrophobicContact CD1-CG 4.14Å
414P77.7Confident78.5Confident97 Ų9764.8 Ų64.863%0.6337%0.367SS*.G310 helixtrans-60-30.9176.6-24.235.2000113.1S411 D412 Y416 G417S411-P414 WeakPolarHBondContact O-CD 3.19Å; D412-P414 VanDerWaalsContact C-N 3.33Å; P414-Y416 PolarHBondContact O-N 3.37Å; P414-G417 PolarHBondContact O-N 3.38Å; P414-G417 VanDerWaalsContact O-N 3.07Å
415R76.7Confident78.3Confident209 Ų20969.7 Ų69.779%0.78939%0.394SS*.G310 helixtrans-65.2-29.2177.4-168.3179.7179.9-179.1-0.4112.2D412 L413D412-R415 WeakPolarHBondContact O-CB 3.35Å; D412-R415 PolarHBondContact O-N 3.39Å; L413-R415 PolarHBondContact O-N 2.99Å
416Y72.1Confident78.1Confident59 Ų5967.2 Ų67.223%0.23137%0.366CS..G310 helixtrans-96.21.1176.3-60.2-76.3000112.5N402 V408 D412 L413 P414 A418 S440 L442N402-Y416 PolarHBondContact ND2-OH 3.49Å; V408-Y416 HydrophobicContact CG1-CD2 3.92Å; V408-Y416 HydrophobicContact CG1-CE2 3.79Å; D412-Y416 HydrophobicContact CB-CE2 4.29Å; D412-Y416 WeakPolarHBondContact O-CD2 3.2Å; L413-Y416 CarbonylContact O-C 3.59Å; L413-Y416 PolarHBondContact O-N 3.34Å; P414-Y416 PolarHBondContact O-N 3.37Å; Y416-A418 PolarHBondContact O-N 3.03Å; Y416-S440 WeakPolarHBondContact CD1-O 3.37Å; Y416-S440 WeakPolarHBondContact O-CB 3.37Å; Y416-L442 HydrophobicContact CD1-CD2 3.97Å; Y416-L442 HydrophobicContact CD1-CG 4.17Å; Y416-L442 HydrophobicContact CD2-CD2 4.07Å; Y416-L442 HydrophobicContact CE1-CD2 4.49Å; Y416-L442 HydrophobicContact CG-CD1 4.06Å; Y416-L442 HydrophobicContact CG-CD2 3.75Å; Y416-L442 HydrophobicContact CG-CG 3.93Å
417G66.7Low77.8Confident18 Ų1870.1 Ų70.119%0.18638%0.377CS..THydrogen-bonded Turntrans7018.3-178.300000114.5L413 P414 K472L413-G417 PolarHBondContact O-N 2.98Å; L413-G417 VanDerWaalsContact O-N 3.12Å; P414-G417 PolarHBondContact O-N 3.38Å; P414-G417 VanDerWaalsContact O-N 3.07Å; G417-K472 WeakPolarHBondContact O-CE 3.31Å
418A70.3Confident77.4Confident6 Ų669.9 Ų69.95%0.0538%0.378CS..  trans-91.1149.5172.800000110.9Y404 L413 Y416 L442Y404-A418 HydrophobicContact CD2-CB 4.11Å; Y404-A418 HydrophobicContact CE2-CB 4.05Å; L413-A418 CarbonylContact C-O 3.56Å; L413-A418 HydrophobicContact CB-CB 4.36Å; L413-A418 HydrophobicContact CD2-CB 4.09Å; L413-A418 PolarHBondContact O-N 2.83Å; L413-A418 VanDerWaalsContact O-N 3.09Å; Y416-A418 PolarHBondContact O-N 3.03Å; A418-L442 HydrophobicContact CB-CD1 3.64Å
419L70.2Confident76.8Confident113 Ų11370.9 Ų70.959%0.59238%0.383SS*.  trans-102.3135.5176.1-71.6158.3000108.5Y404 T421 C422Y404-L419 PolarHBondContact OH-O 3.16Å; L419-T421 VanDerWaalsContact C-N 3.28Å; L419-T421 PolarHBondContact O-N 3.34Å; L419-C422 HydrophobicContact CB-CB 4.06Å; L419-C422 PolarHBondContact O-SG 2.77Å
420E67.1Low76.3Confident118 Ų11869.2 Ų69.255%0.55137%0.373SS*.THydrogen-bonded Turntrans-64.4-30.2-176-170.9172.3-16900113.7Y404 S410 L413Y404-E420 VanDerWaalsContact OH-C 3.31Å; Y404-E420 WeakPolarHBondContact OH-CA 3.5Å; Y404-E420 PolarHBondContact OH-O 3.32Å; S410-E420 VanDerWaalsContact CB-CD 3.42Å; S410-E420 WeakPolarHBondContact CB-OE1 3.43Å; S410-E420 PolarHBondContact OG-OE1 3.04Å; L413-E420 HydrophobicContact CD1-CB 3.96Å; L413-E420 HydrophobicContact CD1-CG 4.14Å
421T74.9Confident76.1Confident86 Ų8667.8 Ų67.853%0.52836%0.36SS..THydrogen-bonded Turntrans-109.113.5-172.756.20000113.7L419 S423 E424L419-T421 VanDerWaalsContact C-N 3.28Å; L419-T421 PolarHBondContact O-N 3.34Å; T421-S423 VanDerWaalsContact C-N 3.31Å; T421-S423 PolarHBondContact O-N 3.49Å; T421-E424 WeakPolarHBondContact CB-OE2 3.35Å; T421-E424 VanDerWaalsContact CG2-OE2 3.25Å; T421-E424 WeakPolarHBondContact CG2-OE2 3.38Å; T421-E424 PolarHBondContact O-N 3.12Å
422C80Confident76.1Confident31 Ų3164 Ų6421%0.20933%0.332CS..THydrogen-bonded Turntrans-66.4-28.4-174.755.60000114.4L419 C470L419-C422 HydrophobicContact CB-CB 4.06Å; L419-C422 PolarHBondContact O-SG 2.77Å; C422-C470 HydrophobicContact CB-CB 3.92Å; C422-C470 WeakPolarHBondContact CB-SG 3.45Å; C422-C470 WeakPolarHBondContact SG-CA 3.34Å; C422-C470 WeakPolarHBondContact SG-CB 3.42Å; C422-C470 CovalentContact SG-SG 2.01Å; C422-C470 PolarHBondContact SG-SG 3.34Å
423S82.2Confident76.1Confident20 Ų2061.1 Ų61.114%0.1432%0.317CS..THydrogen-bonded Turntrans-109.54.9-179.767.60000113.1T421 N425 C426T421-S423 VanDerWaalsContact C-N 3.31Å; T421-S423 PolarHBondContact O-N 3.49Å; S423-N425 VanDerWaalsContact C-N 3.29Å; S423-N425 PolarHBondContact O-N 2.69Å; S423-C426 VanDerWaalsContact O-CB 3.24Å; S423-C426 WeakPolarHBondContact O-CB 3.42Å; S423-C426 PolarHBondContact O-N 3.32Å
424E77.8Confident76.5Confident143 Ų14360.9 Ų60.967%0.66832%0.315SS*.THydrogen-bonded Turntrans-65.9-33.1-173.2-168.7176.2-171.900112.2T421 C426T421-E424 WeakPolarHBondContact CB-OE2 3.35Å; T421-E424 VanDerWaalsContact CG2-OE2 3.25Å; T421-E424 WeakPolarHBondContact CG2-OE2 3.38Å; T421-E424 PolarHBondContact O-N 3.12Å; E424-C426 PolarHBondContact O-N 2.88Å
425N81.6Confident77Confident121 Ų12156.2 Ų56.265%0.64729%0.285SS*.THydrogen-bonded Turntrans-833175.4-64.9-34.4000113.5T132 S423T132-N425 HydrophobicContact CG2-CB 4.38Å; S423-N425 VanDerWaalsContact C-N 3.29Å; S423-N425 PolarHBondContact O-N 2.69Å
426C79.4Confident77.7Confident14 Ų1446.9 Ų46.910%0.09525%0.252CS..BIsolated β-bridgetrans-97.9118.3178.3-510000108.9C130 S423 E424 C428C130-C426 HydrophobicContact CB-CB 3.77Å; C130-C426 WeakPolarHBondContact CB-SG 3.43Å; C130-C426 WeakPolarHBondContact SG-CB 3.46Å; C130-C426 CovalentContact SG-SG 2.02Å; C130-C426 PolarHBondContact SG-SG 3.32Å; S423-C426 VanDerWaalsContact O-CB 3.24Å; S423-C426 WeakPolarHBondContact O-CB 3.42Å; S423-C426 PolarHBondContact O-N 3.32Å; E424-C426 PolarHBondContact O-N 2.88Å; C426-C428 WeakPolarHBondContact CB-SG 3.48Å; C426-C428 PolarHBondContact O-N 3.3Å
427H79.7Confident78.6Confident92 Ų9244.1 Ų44.143%0.42624%0.241SC..  trans-78.965.2174.7-63.4-90.4000110.4D136D136-H427 IonicContact OD1-CE1 3.34Å; D136-H427 PolarHBondContact OD1-CE1 3Å; D136-H427 IonicContact OD1-CG 3.78Å; D136-H427 IonicContact OD1-ND1 3Å; D136-H427 PolarHBondContact OD1-ND1 3.47Å
428C78.7Confident79.3Confident34 Ų3448.1 Ų48.123%0.2326%0.255CS..  trans-68.4132.9-173.5-59.70000111.9C426 C448C426-C428 WeakPolarHBondContact CB-SG 3.48Å; C426-C428 PolarHBondContact O-N 3.3Å; C428-C448 WeakPolarHBondContact CA-SG 3.43Å; C428-C448 HydrophobicContact CB-CB 3.81Å; C428-C448 WeakPolarHBondContact CB-SG 3.44Å; C428-C448 WeakPolarHBondContact SG-CB 3.29Å; C428-C448 PolarHBondContact SG-O 2.84Å; C428-C448 VanDerWaalsContact SG-O 3.4Å; C428-C448 CovalentContact SG-SG 2.03Å; C428-C448 PolarHBondContact SG-SG 3.29Å
429D74Confident79.9Confident34 Ų3454 Ų5418%0.18229%0.286CS..  trans-70159.8172.6-150.6-22.7000110.8K137 F431K137-D429 IonicContact NZ-OD2 3.89Å; K137-D429 PolarHBondContact NZ-OD2 3.33Å; D429-F431 HydrophobicContact CB-CD2 3.66Å; D429-F431 HydrophobicContact CB-CE2 4.3Å; D429-F431 HydrophobicContact CB-CG 4.49Å; D429-F431 VanDerWaalsContact CG-CD2 3.4Å; D429-F431 PolarHBondContact O-N 3.31Å; D429-F431 VanDerWaalsContact OD2-CD2 3.24Å; D429-F431 WeakPolarHBondContact OD2-CD2 3.39Å; D429-F431 WeakPolarHBondContact OD2-CE2 3.36Å
430S72.9Confident80.5Confident37 Ų3749.6 Ų49.626%0.25926%0.264SS..SBendtrans-68.21.7176.1-64.20000113F432 Q558 K559S430-F432 PolarHBondContact O-N 3.38Å; S430-Q558 VanDerWaalsContact O-CG 3.22Å; S430-Q558 WeakPolarHBondContact O-CG 3.25Å; S430-Q558 PolarHBondContact O-NE2 3.14Å; S430-K559 WeakPolarHBondContact CB-O 3.22Å; S430-K559 PolarHBondContact OG-O 3.41Å
431F72.8Confident81.4Confident25 Ų2551 Ų5111%0.1127%0.269CS..  trans-63127-178.4-73.9-62.6000111.7D429D429-F431 HydrophobicContact CB-CD2 3.66Å; D429-F431 HydrophobicContact CB-CE2 4.3Å; D429-F431 HydrophobicContact CB-CG 4.49Å; D429-F431 VanDerWaalsContact CG-CD2 3.4Å; D429-F431 PolarHBondContact O-N 3.31Å; D429-F431 VanDerWaalsContact OD2-CD2 3.24Å; D429-F431 WeakPolarHBondContact OD2-CD2 3.39Å; D429-F431 WeakPolarHBondContact OD2-CE2 3.36Å
432F80.5Confident82Confident13 Ų1347 Ų476%0.05724%0.244CC..  trans-91.6107.6179.5-173.5-103.3000110.3P234 R235 S430 P434 L445 Y480 Q567P234-F432 HydrophobicContact CB-CE1 4.12Å; P234-F432 HydrophobicContact CG-CE1 4.3Å; R235-F432 VanDerWaalsContact CD-O 3.22Å; R235-F432 WeakPolarHBondContact CD-O 3.3Å; R235-F432 WeakPolarHBondContact CG-O 3.38Å; S430-F432 PolarHBondContact O-N 3.38Å; F432-P434 HydrophobicContact CD1-CG 4.4Å; F432-P434 HydrophobicContact CE1-CB 4.39Å; F432-P434 HydrophobicContact CE1-CG 3.68Å; F432-P434 HydrophobicContact CE2-CB 4.45Å; F432-P434 HydrophobicContact CZ-CB 3.99Å; F432-P434 HydrophobicContact CZ-CG 3.77Å; F432-L445 HydrophobicContact CD2-CD2 3.99Å; F432-L445 HydrophobicContact CE2-CD2 3.72Å; F432-Y480 VanDerWaalsContact CE1-OH 3.26Å; F432-Y480 WeakPolarHBondContact CE1-OH 3.38Å; F432-Y480 AromaticContact CZ-CE1 3.91Å; F432-Y480 HydrophobicContact CZ-CE1 3.91Å; F432-Y480 AromaticContact CZ-CZ 3.86Å; F432-Y480 WeakPolarHBondContact CZ-OH 3.47Å; F432-Q567 HydrophobicContact CB-CG 3.86Å; F432-Q567 HydrophobicContact CD1-CB 4.2Å; F432-Q567 HydrophobicContact CD1-CG 4.09Å; F432-Q567 HydrophobicContact CD2-CB 3.76Å; F432-Q567 HydrophobicContact CD2-CG 3.96Å; F432-Q567 HydrophobicContact CE1-CB 4.33Å; F432-Q567 HydrophobicContact CE2-CB 3.91Å; F432-Q567 HydrophobicContact CG-CB 3.92Å; F432-Q567 HydrophobicContact CG-CG 3.69Å; F432-Q567 HydrophobicContact CZ-CB 4.2Å
433N83.7Confident82.5Confident7 Ų745.6 Ų45.64%0.03723%0.234CC..  trans-140.373.5178.3-177.811.9000109D128 R235 L445 S446D128-N433 PolarHBondContact OD2-ND2 3.07Å; R235-N433 PolarHBondContact NE-OD1 3.43Å; R235-N433 PolarHBondContact NH1-ND2 3.19Å; R235-N433 PolarHBondContact NH1-OD1 3.31Å; N433-L445 CarbonylContact C-O 3.54Å; N433-L445 VanDerWaalsContact C-O 3.22Å; N433-L445 PolarHBondContact N-O 3.28Å; N433-S446 VanDerWaalsContact O-CA 3.29Å; N433-S446 WeakPolarHBondContact O-CA 3.21Å
434P87.8Confident82.8Confident1 Ų144.6 Ų44.61%0.00623%0.228CC..  trans-64.2142.4-164.325.6-34000111.9P234 F432 T443 F444 G479 Y480P234-P434 HydrophobicContact CB-CG 4.45Å; P234-P434 HydrophobicContact CG-CG 3.36Å; F432-P434 HydrophobicContact CD1-CG 4.4Å; F432-P434 HydrophobicContact CE1-CB 4.39Å; F432-P434 HydrophobicContact CE1-CG 3.68Å; F432-P434 HydrophobicContact CE2-CB 4.45Å; F432-P434 HydrophobicContact CZ-CB 3.99Å; F432-P434 HydrophobicContact CZ-CG 3.77Å; P434-T443 HydrophobicContact CB-CG2 4.01Å; P434-F444 WeakPolarHBondContact CA-O 3.28Å; P434-G479 CarbonylContact C-O 3.34Å; P434-G479 WeakPolarHBondContact O-CA 3.06Å; P434-G479 PolarHBondContact O-N 3.43Å; P434-Y480 HydrophobicContact CB-CD1 4.18Å; P434-Y480 HydrophobicContact CB-CE1 4.01Å; P434-Y480 HydrophobicContact CG-CD1 4.42Å; P434-Y480 HydrophobicContact CG-CE1 4.04Å; P434-Y480 HydrophobicContact CG-CE2 4.37Å
435V89Confident83.3Confident0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-133.7141.8179.4-62.80000110T443 F444 P447 A450 W465 V476 K477 G479V435-T443 CarbonylContact O-C 3.22Å; V435-T443 WeakPolarHBondContact O-CA 3.3Å; V435-F444 HydrophobicContact CG2-CB 3.85Å; V435-F444 HydrophobicContact CG2-CD2 4.47Å; V435-F444 PolarHBondContact N-O 3.48Å; V435-F444 PolarHBondContact O-N 3.45Å; V435-P447 HydrophobicContact CG1-CG 3.89Å; V435-A450 HydrophobicContact CG2-CB 4.05Å; V435-W465 HydrophobicContact CG1-CE3 3.91Å; V435-W465 HydrophobicContact CG1-CH2 4.2Å; V435-W465 HydrophobicContact CG1-CZ3 3.58Å; V435-V476 HydrophobicContact CB-CG1 3.55Å; V435-V476 HydrophobicContact CG2-CG1 3.51Å; V435-K477 CarbonylContact C-O 3.37Å; V435-K477 VanDerWaalsContact CA-O 3.25Å; V435-K477 WeakPolarHBondContact CA-O 3.36Å; V435-G479 CarbonylContact C-O 3.07Å; V435-G479 VanDerWaalsContact C-O 3.3Å; V435-G479 WeakPolarHBondContact CA-O 3.35Å
436C90.6Very high83.5Confident13 Ų1332.6 Ų32.69%0.08817%0.168CC..EExtended strand (participates in β ladder)trans-108.4130.8-178.5176.20000111.4V476 K477 G479 C481C436-V476 VanDerWaalsContact C-CG1 3.5Å; C436-V476 CarbonylContact O-C 3.6Å; C436-V476 WeakPolarHBondContact O-CA 3.27Å; C436-V476 VanDerWaalsContact O-CG1 3.29Å; C436-V476 WeakPolarHBondContact O-CG1 3.13Å; C436-K477 PolarHBondContact N-O 3.19Å; C436-K477 PolarHBondContact O-N 3.39Å; C436-G479 PolarHBondContact N-O 3.18Å; C436-G479 VanDerWaalsContact N-O 3.15Å; C436-C481 HydrophobicContact CB-CB 3.99Å; C436-C481 WeakPolarHBondContact CB-SG 3.44Å; C436-C481 WeakPolarHBondContact SG-CA 3.44Å; C436-C481 WeakPolarHBondContact SG-CB 3.24Å; C436-C481 CovalentContact SG-SG 2.03Å; C436-C481 PolarHBondContact SG-SG 2.84Å
437S89.9Confident83.9Confident1 Ų131.9 Ų31.91%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-85.3115.2164.8168.50000109.3D439 S440 K441 L442 S471S437-D439 VanDerWaalsContact C-N 3.28Å; S437-D439 PolarHBondContact O-N 3.09Å; S437-S440 WeakPolarHBondContact CB-OG 3.41Å; S437-S440 PolarHBondContact OG-N 3.41Å; S437-S440 PolarHBondContact OG-OG 3.15Å; S437-K441 VanDerWaalsContact O-CA 3.28Å; S437-K441 WeakPolarHBondContact O-CA 3.19Å; S437-K441 PolarHBondContact O-N 3.44Å; S437-L442 PolarHBondContact N-O 3.04Å; S437-S471 WeakPolarHBondContact CB-OG 3.35Å; S437-S471 PolarHBondContact OG-OG 3.32Å
438E83Confident84.2Confident102 Ų10227.6 Ų27.648%0.47714%0.143SC..THydrogen-bonded Turntrans-62.3-36.2-177.1-67.9-161.4131.200112.6K477E438-K477 HydrophobicContact CG-CD 4.08Å; E438-K477 HydrophobicContact CG-CG 4.31Å; E438-K477 WeakPolarHBondContact OE1-CD 3.32Å; E438-K477 WeakPolarHBondContact OE1-CE 3.37Å; E438-K477 IonicContact OE1-NZ 3.35Å; E438-K477 PolarHBondContact OE1-NZ 3.4Å; E438-K477 WeakPolarHBondContact OE2-CE 3.39Å; E438-K477 IonicContact OE2-NZ 2.94Å; E438-K477 PolarHBondContact OE2-NZ 3.09Å
439D81.7Confident84.6Confident130 Ų13027.7 Ų27.770%0.69514%0.141SC*.THydrogen-bonded Turntrans-75-43.2-175.3-68.3-34000112.5S437 T474S437-D439 VanDerWaalsContact C-N 3.28Å; S437-D439 PolarHBondContact O-N 3.09Å; D439-T474 HydrophobicContact CB-CG2 4.37Å; D439-T474 WeakPolarHBondContact OD2-CB 3.34Å; D439-T474 WeakPolarHBondContact OD2-CG2 3.14Å
440S82.5Confident85.2Confident20 Ų2026.1 Ų26.114%0.1413%0.132CC..THydrogen-bonded Turntrans-86.2-17-179.765.10000113.2Y416 S437 L442Y416-S440 WeakPolarHBondContact CD1-O 3.37Å; Y416-S440 WeakPolarHBondContact O-CB 3.37Å; S437-S440 WeakPolarHBondContact CB-OG 3.41Å; S437-S440 PolarHBondContact OG-N 3.41Å; S437-S440 PolarHBondContact OG-OG 3.15Å; S440-L442 PolarHBondContact O-N 2.91Å; S440-L442 VanDerWaalsContact O-N 3.16Å; S440-L442 WeakPolarHBondContact OG-CB 3.26Å; S440-L442 PolarHBondContact OG-N 3.28Å
441K86.1Confident85.9Confident148 Ų14824.8 Ų24.864%0.64313%0.125SC*.  trans52.324.8-166.1-60-173176-173.90113.4S437 C481S437-K441 VanDerWaalsContact O-CA 3.28Å; S437-K441 WeakPolarHBondContact O-CA 3.19Å; S437-K441 PolarHBondContact O-N 3.44Å; K441-C481 PolarHBondContact O-SG 3.42Å
442L88.4Confident86.6Confident0 Ų023.6 Ų23.60%012%0.119CC..  trans-89133.3171.8-70176.6000110.3N402 V408 Y416 A418 S437 S440 F444 C481N402-L442 HydrophobicContact CB-CD2 3.85Å; V408-L442 HydrophobicContact CG2-CD2 3.96Å; Y416-L442 HydrophobicContact CD1-CD2 3.97Å; Y416-L442 HydrophobicContact CD1-CG 4.17Å; Y416-L442 HydrophobicContact CD2-CD2 4.07Å; Y416-L442 HydrophobicContact CE1-CD2 4.49Å; Y416-L442 HydrophobicContact CG-CD1 4.06Å; Y416-L442 HydrophobicContact CG-CD2 3.75Å; Y416-L442 HydrophobicContact CG-CG 3.93Å; A418-L442 HydrophobicContact CB-CD1 3.64Å; S437-L442 PolarHBondContact N-O 3.04Å; S440-L442 PolarHBondContact O-N 2.91Å; S440-L442 VanDerWaalsContact O-N 3.16Å; S440-L442 WeakPolarHBondContact OG-CB 3.26Å; S440-L442 PolarHBondContact OG-N 3.28Å; L442-F444 HydrophobicContact CB-CE2 4.21Å; L442-F444 HydrophobicContact CB-CZ 4.31Å; L442-C481 VanDerWaalsContact C-SG 3.54Å; L442-C481 PolarHBondContact O-SG 3.28Å
443T90.1Very high86.6Confident2 Ų224.8 Ų24.81%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-92.4136167.7-55.80000109.6N402 V403 Y404 P434 V435 Y480 C481N402-T443 PolarHBondContact O-N 3.36Å; V403-T443 CarbonylContact C-O 3.58Å; V403-T443 VanDerWaalsContact CA-O 3.26Å; V403-T443 WeakPolarHBondContact CA-O 3.43Å; Y404-T443 PolarHBondContact N-O 3.16Å; P434-T443 HydrophobicContact CB-CG2 4.01Å; V435-T443 CarbonylContact O-C 3.22Å; V435-T443 WeakPolarHBondContact O-CA 3.3Å; T443-Y480 HydrophobicContact CG2-CD1 3.92Å; T443-C481 PolarHBondContact OG1-N 3.26Å; T443-C481 PolarHBondContact OG1-SG 3.07Å; T443-C481 VanDerWaalsContact OG1-SG 3.42Å
444F89.3Confident86Confident0 Ų029.6 Ų29.60%016%0.157CC..EExtended strand (participates in β ladder)trans-107.7151.2171.7-58.2-91.7000109.8Y404 P434 V435 L442 S446 H449 A450 C470Y404-F444 VanDerWaalsContact CB-CD1 3.49Å; Y404-F444 AromaticContact CD1-CD1 3.87Å; Y404-F444 HydrophobicContact CD1-CD1 3.87Å; Y404-F444 HydrophobicContact CD1-CE1 4.01Å; Y404-F444 HydrophobicContact CD2-CD1 4.41Å; Y404-F444 AromaticContact CD2-CE1 3.8Å; Y404-F444 HydrophobicContact CD2-CE1 3.8Å; Y404-F444 AromaticContact CG-CD1 3.67Å; Y404-F444 HydrophobicContact CG-CD1 3.67Å; Y404-F444 AromaticContact CG-CE1 3.51Å; Y404-F444 HydrophobicContact CG-CE1 3.51Å; P434-F444 WeakPolarHBondContact CA-O 3.28Å; V435-F444 HydrophobicContact CG2-CB 3.85Å; V435-F444 HydrophobicContact CG2-CD2 4.47Å; V435-F444 PolarHBondContact N-O 3.48Å; V435-F444 PolarHBondContact O-N 3.45Å; L442-F444 HydrophobicContact CB-CE2 4.21Å; L442-F444 HydrophobicContact CB-CZ 4.31Å; F444-S446 VanDerWaalsContact C-N 3.33Å; F444-S446 PolarHBondContact O-N 3.37Å; F444-H449 HydrophobicContact CB-CB 4.48Å; F444-H449 WeakPolarHBondContact CD1-O 3.49Å; F444-A450 HydrophobicContact CB-CB 3.88Å; F444-A450 HydrophobicContact CD1-CB 4.06Å; F444-A450 HydrophobicContact CD2-CB 3.81Å; F444-A450 HydrophobicContact CE2-CB 4.37Å; F444-A450 HydrophobicContact CG-CB 3.63Å; F444-C470 HydrophobicContact CD1-CB 4.33Å; F444-C470 HydrophobicContact CE1-CB 3.48Å; F444-C470 VanDerWaalsContact CE1-CB 3.48Å; F444-C470 HydrophobicContact CZ-CB 3.8Å
445L87.5Confident85Confident9 Ų932.3 Ų32.35%0.04717%0.17CC..SBendtrans-66.8-32.8-177-67171.5000113.5V403 V406 F432 N433 H449 Y556V403-L445 HydrophobicContact CG1-CD2 4.01Å; V403-L445 HydrophobicContact CG1-CG 4.35Å; V406-L445 HydrophobicContact CG2-CD1 4.1Å; V406-L445 HydrophobicContact CG2-CD2 4.1Å; V406-L445 HydrophobicContact CG2-CG 4.32Å; F432-L445 HydrophobicContact CD2-CD2 3.99Å; F432-L445 HydrophobicContact CE2-CD2 3.72Å; N433-L445 CarbonylContact C-O 3.54Å; N433-L445 VanDerWaalsContact C-O 3.22Å; N433-L445 PolarHBondContact N-O 3.28Å; L445-H449 HydrophobicContact CB-CB 4.35Å; L445-Y556 HydrophobicContact CD1-CD1 4.42Å; L445-Y556 HydrophobicContact CD1-CD2 3.95Å; L445-Y556 HydrophobicContact CD1-CE1 4.05Å; L445-Y556 HydrophobicContact CD1-CE2 3.53Å; L445-Y556 HydrophobicContact CD1-CG 4.37Å; L445-Y556 HydrophobicContact CD2-CD1 4.02Å; L445-Y556 HydrophobicContact CD2-CE1 4.16Å; L445-Y556 HydrophobicContact CD2-CG 4.26Å
446S86.2Confident83.6Confident2 Ų239 Ų391%0.01421%0.214CC..SBendtrans-153.3165.9174.876.40000110.8N433 F444 C448 H449 A450N433-S446 VanDerWaalsContact O-CA 3.29Å; N433-S446 WeakPolarHBondContact O-CA 3.21Å; F444-S446 VanDerWaalsContact C-N 3.33Å; F444-S446 PolarHBondContact O-N 3.37Å; S446-C448 PolarHBondContact O-N 3.33Å; S446-C448 PolarHBondContact OG-N 3.41Å; S446-H449 PolarHBondContact O-N 3.02Å; S446-H449 PolarHBondContact OG-N 3.5Å; S446-H449 PolarHBondContact OG-ND1 3.1Å; S446-A450 PolarHBondContact O-N 3.43Å; S446-A450 VanDerWaalsContact O-N 3.08Å
447P86.5Confident81.9Confident0 Ų041.7 Ų41.70%024%0.244CC..THydrogen-bonded Turntrans-55.9-32.8172-19.328.7000112.6D128 V129 V435 A450 G451 C452 W465D128-P447 HydrophobicContact CB-CG 4.42Å; D128-P447 CarbonylContact O-C 3.45Å; D128-P447 WeakPolarHBondContact O-CB 3.45Å; D128-P447 WeakPolarHBondContact O-CD 3.39Å; V129-P447 HydrophobicContact CG1-CB 4.48Å; V435-P447 HydrophobicContact CG1-CG 3.89Å; P447-A450 WeakPolarHBondContact O-CB 3.3Å; P447-A450 PolarHBondContact O-N 3.39Å; P447-G451 PolarHBondContact O-N 2.79Å; P447-C452 HydrophobicContact CB-CB 4.24Å; P447-C452 VanDerWaalsContact O-CB 3.32Å; P447-C452 WeakPolarHBondContact O-CB 3.47Å; P447-C452 PolarHBondContact O-N 3.33Å; P447-C452 PolarHBondContact O-SG 2.92Å; P447-W465 HydrophobicContact CB-CD2 4.1Å; P447-W465 HydrophobicContact CB-CG 4.22Å; P447-W465 HydrophobicContact CB-CZ2 4.43Å; P447-W465 HydrophobicContact CG-CD2 4.06Å; P447-W465 HydrophobicContact CG-CE3 4.41Å; P447-W465 HydrophobicContact CG-CH2 4.03Å; P447-W465 HydrophobicContact CG-CZ2 3.63Å; P447-W465 HydrophobicContact CG-CZ3 4.39Å
448C86.3Confident80.6Confident1 Ų143.7 Ų43.71%0.00725%0.254CS..THydrogen-bonded Turntrans-64.3-44.5174.7-175.70000111.7D128 C428 S446 A450 G451D128-C448 WeakPolarHBondContact O-CA 3.35Å; D128-C448 VanDerWaalsContact O-CB 3.27Å; D128-C448 WeakPolarHBondContact O-CB 3.43Å; D128-C448 PolarHBondContact O-N 3.11Å; C428-C448 WeakPolarHBondContact CA-SG 3.43Å; C428-C448 HydrophobicContact CB-CB 3.81Å; C428-C448 WeakPolarHBondContact CB-SG 3.44Å; C428-C448 WeakPolarHBondContact SG-CB 3.29Å; C428-C448 PolarHBondContact SG-O 2.84Å; C428-C448 VanDerWaalsContact SG-O 3.4Å; C428-C448 CovalentContact SG-SG 2.03Å; C428-C448 PolarHBondContact SG-SG 3.29Å; S446-C448 PolarHBondContact O-N 3.33Å; S446-C448 PolarHBondContact OG-N 3.41Å; C448-A450 PolarHBondContact O-N 3.25Å; C448-G451 WeakPolarHBondContact O-CA 3.34Å; C448-G451 PolarHBondContact O-N 3.25Å
449H87.1Confident79.4Confident37 Ų3746.9 Ų46.917%0.17127%0.266CS..THydrogen-bonded Turntrans-67.1-21.6175.1-68.487.9000112.7F444 L445 S446 C470F444-H449 HydrophobicContact CB-CB 4.48Å; F444-H449 WeakPolarHBondContact CD1-O 3.49Å; L445-H449 HydrophobicContact CB-CB 4.35Å; S446-H449 PolarHBondContact O-N 3.02Å; S446-H449 PolarHBondContact OG-N 3.5Å; S446-H449 PolarHBondContact OG-ND1 3.1Å; H449-C470 PolarHBondContact O-SG 3.34Å; H449-C470 VanDerWaalsContact O-SG 3.38Å
450A87.9Confident78.3Confident0 Ų047.4 Ų47.40%026%0.263CS..THydrogen-bonded Turntrans-80-3.4168.900000113.1V435 F444 S446 P447 C448 C452 C468 G469 C470V435-A450 HydrophobicContact CG2-CB 4.05Å; F444-A450 HydrophobicContact CB-CB 3.88Å; F444-A450 HydrophobicContact CD1-CB 4.06Å; F444-A450 HydrophobicContact CD2-CB 3.81Å; F444-A450 HydrophobicContact CE2-CB 4.37Å; F444-A450 HydrophobicContact CG-CB 3.63Å; S446-A450 PolarHBondContact O-N 3.43Å; S446-A450 VanDerWaalsContact O-N 3.08Å; P447-A450 WeakPolarHBondContact O-CB 3.3Å; P447-A450 PolarHBondContact O-N 3.39Å; C448-A450 PolarHBondContact O-N 3.25Å; A450-C452 VanDerWaalsContact C-N 3.32Å; A450-C468 HydrophobicContact CB-CB 4.39Å; A450-C468 CarbonylContact O-C 3.53Å; A450-C468 WeakPolarHBondContact O-CB 3.43Å; A450-G469 PolarHBondContact O-N 3.01Å; A450-C470 VanDerWaalsContact O-CB 3.23Å; A450-C470 WeakPolarHBondContact O-CB 3.49Å; A450-C470 PolarHBondContact O-N 3.44Å; A450-C470 PolarHBondContact O-SG 3.12Å
451G87.1Confident77.2Confident10 Ų1047.5 Ų47.510%0.10327%0.267CS..THydrogen-bonded Turntrans69.726.1-17700000113.2P447 C448 A453 G469P447-G451 PolarHBondContact O-N 2.79Å; C448-G451 WeakPolarHBondContact O-CA 3.34Å; C448-G451 PolarHBondContact O-N 3.25Å; G451-A453 PolarHBondContact O-N 3.42Å; G451-G469 PolarHBondContact O-N 3.5Å
452C86.5Confident76.4Confident0 Ų041.4 Ų41.40%024%0.244CC..BIsolated β-bridgetrans-73119.7178.2-54.60000110.3C130 P447 A450 W465 C468C130-C452 WeakPolarHBondContact CB-O 3.43Å; C130-C452 PolarHBondContact N-O 3.09Å; P447-C452 HydrophobicContact CB-CB 4.24Å; P447-C452 VanDerWaalsContact O-CB 3.32Å; P447-C452 WeakPolarHBondContact O-CB 3.47Å; P447-C452 PolarHBondContact O-N 3.33Å; P447-C452 PolarHBondContact O-SG 2.92Å; A450-C452 VanDerWaalsContact C-N 3.32Å; C452-W465 HydrophobicContact CB-CB 4.18Å; C452-W465 HydrophobicContact CB-CG 4.44Å; C452-C468 HydrophobicContact CB-CB 4.05Å; C452-C468 WeakPolarHBondContact CB-SG 3.45Å; C452-C468 WeakPolarHBondContact SG-CB 3.26Å; C452-C468 CovalentContact SG-SG 2.04Å; C452-C468 PolarHBondContact SG-SG 3.36Å
453A81.1Confident75.8Confident37 Ų3744 Ų4431%0.30626%0.262SS..BIsolated β-bridgetrans-77.5151.5176.400000111.9G451 M455 N467G451-A453 PolarHBondContact O-N 3.42Å; A453-M455 PolarHBondContact O-N 2.98Å; A453-N467 PolarHBondContact N-O 3.5Å
454D71.5Confident75.6Confident108 Ų10847.8 Ų47.858%0.57828%0.282SS*.PPolyproline II helixtrans-62.9121.9171.9-166.911.3000109.7V129V129-D454 HydrophobicContact CG2-CB 3.92Å
455M66.3Low75.3Confident58 Ų5848.2 Ų48.229%0.28628%0.284SS..  trans-116.8136.3177.2-75-145.4-76.300110.8A453 G457 I458 T466 N467A453-M455 PolarHBondContact O-N 2.98Å; M455-G457 PolarHBondContact O-N 3.36Å; M455-I458 HydrophobicContact CB-CD1 4.09Å; M455-I458 HydrophobicContact CB-CG1 4.23Å; M455-I458 PolarHBondContact O-N 3.48Å; M455-I458 VanDerWaalsContact O-N 3.16Å; M455-T466 WeakPolarHBondContact CE-OG1 3.33Å; M455-N467 HydrophobicContact CE-CB 3.84Å; M455-N467 HydrophobicContact SD-CB 4.16Å
456P59.2Low75Confident141 Ų14150.8 Ų50.892%0.91630%0.3SS*.THydrogen-bonded Turntrans-57.3112.3174.5-1525.2000109.8
457G55.7Low74.8Confident70 Ų7054.2 Ų54.272%0.72232%0.318SS*.THydrogen-bonded Turntrans117.9-5.6-18000000115.7M455 K459M455-G457 PolarHBondContact O-N 3.36Å; G457-K459 PolarHBondContact O-N 3.48Å
458I63.2Low74.8Confident43 Ų4354.2 Ų54.222%0.22132%0.318CS..  trans-65.299.5166.4-61.5177.5000107.5M455 A462M455-I458 HydrophobicContact CB-CD1 4.09Å; M455-I458 HydrophobicContact CB-CG1 4.23Å; M455-I458 PolarHBondContact O-N 3.48Å; M455-I458 VanDerWaalsContact O-N 3.16Å; I458-A462 HydrophobicContact CG2-CB 3.56Å
459K57.4Low74.6Confident168 Ų16855.7 Ų55.773%0.7333%0.334SS*.  trans-69.5154.5176.6-67.7-175.6179.7-1800110G457 G461 A462G457-K459 PolarHBondContact O-N 3.48Å; K459-G461 PolarHBondContact O-N 2.7Å; K459-A462 PolarHBondContact O-N 2.86Å
460F57.6Low74.4Confident142 Ų14254 Ų5462%0.62333%0.326SS*.THydrogen-bonded Turntrans-51.1123.7163.8-87.8-90.7000108.8V125V125-F460 HydrophobicContact CB-CD1 4.01Å; V125-F460 HydrophobicContact CB-CE1 4.15Å; V125-F460 HydrophobicContact CG2-CD1 3.75Å; V125-F460 HydrophobicContact CG2-CE1 4.25Å; V125-F460 HydrophobicContact CG2-CG 4.48Å
461G61.1Low74.1Confident22 Ų2254.2 Ų54.223%0.22733%0.328CS..THydrogen-bonded Turntrans81.726.3-173.900000115.6G227 K459 S463G227-G461 VanDerWaalsContact CA-CA 3.4Å; K459-G461 PolarHBondContact O-N 2.7Å; G461-S463 PolarHBondContact O-N 3.37Å
462A69Low73.5Confident19 Ų1961.2 Ų61.216%0.15736%0.355CS..  trans-53.3128.316800000110.6I458 K459 W465I458-A462 HydrophobicContact CG2-CB 3.56Å; K459-A462 PolarHBondContact O-N 2.86Å; A462-W465 HydrophobicContact CB-CZ2 4.29Å; A462-W465 WeakPolarHBondContact O-CH2 3.33Å; A462-W465 WeakPolarHBondContact O-CZ2 3.39Å
463S76.4Confident72.8Confident56 Ų5665.7 Ų65.739%0.39238%0.379SS..SBendtrans-93.5-16.6177.252.50000112.7G461 K478G461-S463 PolarHBondContact O-N 3.37Å; S463-K478 VanDerWaalsContact O-CB 3.27Å; S463-K478 WeakPolarHBondContact O-CB 3.28Å; S463-K478 PolarHBondContact O-N 2.79Å
464N84.4Confident72.6Confident81 Ų8165.4 Ų65.443%0.43337%0.374SS..EExtended strand (participates in β ladder)trans-135.4135.4-177.8-62.7-20.9000109.4I475 V476 K477N464-I475 HydrophobicContact CB-CG2 4.02Å; N464-V476 WeakPolarHBondContact CA-O 3.47Å; N464-K477 WeakPolarHBondContact OD1-CG 3.46Å
465W83.8Confident73.2Confident8 Ų864.2 Ų64.23%0.0337%0.367CS..EExtended strand (participates in β ladder)trans-112.5146171.7-66.4-99.9000109.8V435 P447 C452 A462 V476 K478V435-W465 HydrophobicContact CG1-CE3 3.91Å; V435-W465 HydrophobicContact CG1-CH2 4.2Å; V435-W465 HydrophobicContact CG1-CZ3 3.58Å; P447-W465 HydrophobicContact CB-CD2 4.1Å; P447-W465 HydrophobicContact CB-CG 4.22Å; P447-W465 HydrophobicContact CB-CZ2 4.43Å; P447-W465 HydrophobicContact CG-CD2 4.06Å; P447-W465 HydrophobicContact CG-CE3 4.41Å; P447-W465 HydrophobicContact CG-CH2 4.03Å; P447-W465 HydrophobicContact CG-CZ2 3.63Å; P447-W465 HydrophobicContact CG-CZ3 4.39Å; C452-W465 HydrophobicContact CB-CB 4.18Å; C452-W465 HydrophobicContact CB-CG 4.44Å; A462-W465 HydrophobicContact CB-CZ2 4.29Å; A462-W465 WeakPolarHBondContact O-CH2 3.33Å; A462-W465 WeakPolarHBondContact O-CZ2 3.39Å; W465-V476 PolarHBondContact N-O 2.94Å; W465-V476 PolarHBondContact O-N 3.26Å; W465-K478 HydrophobicContact CH2-CB 4.33Å; W465-K478 HydrophobicContact CH2-CG 4.38Å; W465-K478 HydrophobicContact CZ3-CB 3.85Å; W465-K478 HydrophobicContact CZ3-CG 4.32Å
466T81.5Confident74.2Confident64 Ų6461.5 Ų61.539%0.39335%0.353SS..  trans-123.8163.2173.646.40000108M455 I475M455-T466 WeakPolarHBondContact CE-OG1 3.33Å; T466-I475 HydrophobicContact CG2-CG1 4.03Å
467N82.5Confident75.6Confident73 Ų7358.4 Ų58.439%0.3933%0.325SS..  trans63.447-178.3-156.228.9000113.9A453 M455 N473A453-N467 PolarHBondContact N-O 3.5Å; M455-N467 HydrophobicContact CE-CB 3.84Å; M455-N467 HydrophobicContact SD-CB 4.16Å; N467-N473 PolarHBondContact OD1-OD1 2.99Å
468C85.2Confident77Confident0 Ų056.8 Ų56.80%030%0.298CS..BIsolated β-bridgetrans-99.1115.5177.4-52.70000110.3A450 C452 C470 S471 N473 V476A450-C468 HydrophobicContact CB-CB 4.39Å; A450-C468 CarbonylContact O-C 3.53Å; A450-C468 WeakPolarHBondContact O-CB 3.43Å; C452-C468 HydrophobicContact CB-CB 4.05Å; C452-C468 WeakPolarHBondContact CB-SG 3.45Å; C452-C468 WeakPolarHBondContact SG-CB 3.26Å; C452-C468 CovalentContact SG-SG 2.04Å; C452-C468 PolarHBondContact SG-SG 3.36Å; C468-C470 VanDerWaalsContact C-N 3.27Å; C468-C470 PolarHBondContact O-N 2.88Å; C468-S471 PolarHBondContact O-N 3.3Å; C468-S471 VanDerWaalsContact O-N 3.09Å; C468-N473 PolarHBondContact O-N 3.23Å; C468-N473 PolarHBondContact O-OD1 3.36Å; C468-V476 HydrophobicContact CB-CG2 3.78Å; C468-V476 VanDerWaalsContact SG-CG2 3.59Å
469G83.1Confident78Confident32 Ų3255.5 Ų55.533%0.3330%0.296SS..G310 helixtrans-60.7-32.7-173.200000114.1A450 G451 S471A450-G469 PolarHBondContact O-N 3.01Å; G451-G469 PolarHBondContact O-N 3.5Å; G469-S471 VanDerWaalsContact C-N 3.28Å; G469-S471 PolarHBondContact O-N 3.21Å
470C83Confident79.4Confident2 Ų251.3 Ų51.31%0.01428%0.276CS..G310 helixtrans-79.3-11.2-179.6-560000113.9C422 F444 H449 A450 C468C422-C470 HydrophobicContact CB-CB 3.92Å; C422-C470 WeakPolarHBondContact CB-SG 3.45Å; C422-C470 WeakPolarHBondContact SG-CA 3.34Å; C422-C470 WeakPolarHBondContact SG-CB 3.42Å; C422-C470 CovalentContact SG-SG 2.01Å; C422-C470 PolarHBondContact SG-SG 3.34Å; F444-C470 HydrophobicContact CD1-CB 4.33Å; F444-C470 HydrophobicContact CE1-CB 3.48Å; F444-C470 VanDerWaalsContact CE1-CB 3.48Å; F444-C470 HydrophobicContact CZ-CB 3.8Å; H449-C470 PolarHBondContact O-SG 3.34Å; H449-C470 VanDerWaalsContact O-SG 3.38Å; A450-C470 VanDerWaalsContact O-CB 3.23Å; A450-C470 WeakPolarHBondContact O-CB 3.49Å; A450-C470 PolarHBondContact O-N 3.44Å; A450-C470 PolarHBondContact O-SG 3.12Å; C468-C470 VanDerWaalsContact C-N 3.27Å; C468-C470 PolarHBondContact O-N 2.88Å
471S80Confident80.8Confident5 Ų545.1 Ų45.14%0.03525%0.25CS..G310 helixtrans-116.625.7-173.7-163.70000112.2S437 C468 G469 N473 T474S437-S471 WeakPolarHBondContact CB-OG 3.35Å; S437-S471 PolarHBondContact OG-OG 3.32Å; C468-S471 PolarHBondContact O-N 3.3Å; C468-S471 VanDerWaalsContact O-N 3.09Å; G469-S471 VanDerWaalsContact C-N 3.28Å; G469-S471 PolarHBondContact O-N 3.21Å; S471-N473 PolarHBondContact O-N 2.96Å; S471-T474 WeakPolarHBondContact O-CB 3.48Å; S471-T474 VanDerWaalsContact O-CG2 3.3Å; S471-T474 WeakPolarHBondContact O-CG2 3.47Å; S471-T474 PolarHBondContact O-N 3.07Å; S471-T474 PolarHBondContact O-OG1 3.28Å; S471-T474 PolarHBondContact OG-OG1 3.13Å
472K76.1Confident81.7Confident156 Ų15652 Ų5268%0.67828%0.282SS*.THydrogen-bonded Turntrans48.634.5-175.2-62.4-177.61791760113.5G417 T474G417-K472 WeakPolarHBondContact O-CE 3.31Å; K472-T474 PolarHBondContact O-N 3.14Å
473N70.5Confident82Confident94 Ų9453.2 Ų53.250%0.50329%0.292SS..THydrogen-bonded Turntrans59.820.8-175.8-64.6-19.6000116N467 C468 S471N467-N473 PolarHBondContact OD1-OD1 2.99Å; C468-N473 PolarHBondContact O-N 3.23Å; C468-N473 PolarHBondContact O-OD1 3.36Å; S471-N473 PolarHBondContact O-N 2.96Å
474T77.4Confident82Confident31 Ų3154.4 Ų54.419%0.1930%0.3CS..PPolyproline II helixtrans-75.7165171.762.10000110.6D439 S471 K472 V476D439-T474 HydrophobicContact CB-CG2 4.37Å; D439-T474 WeakPolarHBondContact OD2-CB 3.34Å; D439-T474 WeakPolarHBondContact OD2-CG2 3.14Å; S471-T474 WeakPolarHBondContact O-CB 3.48Å; S471-T474 VanDerWaalsContact O-CG2 3.3Å; S471-T474 WeakPolarHBondContact O-CG2 3.47Å; S471-T474 PolarHBondContact O-N 3.07Å; S471-T474 PolarHBondContact O-OG1 3.28Å; S471-T474 PolarHBondContact OG-OG1 3.13Å; K472-T474 PolarHBondContact O-N 3.14Å; T474-V476 PolarHBondContact O-N 2.85Å
475I84.4Confident82Confident84 Ų8451 Ų5143%0.43128%0.283SS..PPolyproline II helixtrans-70.6123.8179.5-60.3170.1000108.4N464 T466 K477N464-I475 HydrophobicContact CB-CG2 4.02Å; T466-I475 HydrophobicContact CG2-CG1 4.03Å; I475-K477 HydrophobicContact CG2-CG 4.28Å
476V87.1Confident82.2Confident0 Ų057.3 Ų57.30%031%0.313CS..EExtended strand (participates in β ladder)trans-102.5118.5172.7-1650000107.8V435 C436 N464 W465 C468 T474V435-V476 HydrophobicContact CB-CG1 3.55Å; V435-V476 HydrophobicContact CG2-CG1 3.51Å; C436-V476 VanDerWaalsContact C-CG1 3.5Å; C436-V476 CarbonylContact O-C 3.6Å; C436-V476 WeakPolarHBondContact O-CA 3.27Å; C436-V476 VanDerWaalsContact O-CG1 3.29Å; C436-V476 WeakPolarHBondContact O-CG1 3.13Å; N464-V476 WeakPolarHBondContact CA-O 3.47Å; W465-V476 PolarHBondContact N-O 2.94Å; W465-V476 PolarHBondContact O-N 3.26Å; C468-V476 HydrophobicContact CB-CG2 3.78Å; C468-V476 VanDerWaalsContact SG-CG2 3.59Å; T474-V476 PolarHBondContact O-N 2.85Å
477K88.1Confident82.6Confident76 Ų7661.4 Ų61.433%0.3333%0.325SS..EExtended strand (participates in β ladder)trans-92.1149.8-179.1-62.7-168.2177.7167.70110.6V435 C436 E438 N464 I475V435-K477 CarbonylContact C-O 3.37Å; V435-K477 VanDerWaalsContact CA-O 3.25Å; V435-K477 WeakPolarHBondContact CA-O 3.36Å; C436-K477 PolarHBondContact N-O 3.19Å; C436-K477 PolarHBondContact O-N 3.39Å; E438-K477 HydrophobicContact CG-CD 4.08Å; E438-K477 HydrophobicContact CG-CG 4.31Å; E438-K477 WeakPolarHBondContact OE1-CD 3.32Å; E438-K477 WeakPolarHBondContact OE1-CE 3.37Å; E438-K477 IonicContact OE1-NZ 3.35Å; E438-K477 PolarHBondContact OE1-NZ 3.4Å; E438-K477 WeakPolarHBondContact OE2-CE 3.39Å; E438-K477 IonicContact OE2-NZ 2.94Å; E438-K477 PolarHBondContact OE2-NZ 3.09Å; N464-K477 WeakPolarHBondContact OD1-CG 3.46Å; I475-K477 HydrophobicContact CG2-CG 4.28Å
478K85.1Confident83.1Confident36 Ų3660.6 Ų60.616%0.15732%0.319CS..EExtended strand (participates in β ladder)trans-67141175.4-169.9179.8165.5-151.30111.9G227 D229 D233 S463 W465G227-K478 WeakPolarHBondContact O-CE 3.32Å; G227-K478 PolarHBondContact O-NZ 2.92Å; D229-K478 IonicContact OD2-NZ 2.57Å; D229-K478 PolarHBondContact OD2-NZ 2.64Å; D233-K478 WeakPolarHBondContact OD2-CE 3.33Å; D233-K478 IonicContact OD2-NZ 2.64Å; D233-K478 PolarHBondContact OD2-NZ 3.2Å; S463-K478 VanDerWaalsContact O-CB 3.27Å; S463-K478 WeakPolarHBondContact O-CB 3.28Å; S463-K478 PolarHBondContact O-N 2.79Å; W465-K478 HydrophobicContact CH2-CB 4.33Å; W465-K478 HydrophobicContact CH2-CG 4.38Å; W465-K478 HydrophobicContact CZ3-CB 3.85Å; W465-K478 HydrophobicContact CZ3-CG 4.32Å
479G84.6Confident83.4Confident17 Ų1762.1 Ų62.118%0.17533%0.327CS..SBendtrans102.6179.3179.700000113.4P434 V435 C436P434-G479 CarbonylContact C-O 3.34Å; P434-G479 WeakPolarHBondContact O-CA 3.06Å; P434-G479 PolarHBondContact O-N 3.43Å; V435-G479 CarbonylContact C-O 3.07Å; V435-G479 VanDerWaalsContact C-O 3.3Å; V435-G479 WeakPolarHBondContact CA-O 3.35Å; C436-G479 PolarHBondContact N-O 3.18Å; C436-G479 VanDerWaalsContact N-O 3.15Å
480Y86.3Confident83.8Confident79 Ų7967 Ų6731%0.3134%0.336SS..PPolyproline II helixtrans-73157.5172.4-60-75.9000110.9P234 L401 F432 P434 T443P234-Y480 HydrophobicContact CB-CE2 3.71Å; P234-Y480 HydrophobicContact CG-CD2 4.37Å; P234-Y480 HydrophobicContact CG-CE2 3.67Å; L401-Y480 HydrophobicContact CD1-CD1 3.72Å; L401-Y480 HydrophobicContact CD1-CE1 4.37Å; L401-Y480 HydrophobicContact CD1-CG 3.93Å; F432-Y480 VanDerWaalsContact CE1-OH 3.26Å; F432-Y480 WeakPolarHBondContact CE1-OH 3.38Å; F432-Y480 AromaticContact CZ-CE1 3.91Å; F432-Y480 HydrophobicContact CZ-CE1 3.91Å; F432-Y480 AromaticContact CZ-CZ 3.86Å; F432-Y480 WeakPolarHBondContact CZ-OH 3.47Å; P434-Y480 HydrophobicContact CB-CD1 4.18Å; P434-Y480 HydrophobicContact CB-CE1 4.01Å; P434-Y480 HydrophobicContact CG-CD1 4.42Å; P434-Y480 HydrophobicContact CG-CE1 4.04Å; P434-Y480 HydrophobicContact CG-CE2 4.37Å; T443-Y480 HydrophobicContact CG2-CD1 3.92Å
481C86.9Confident84.3Confident12 Ų1271.2 Ų71.28%0.08136%0.356CS..PPolyproline II helixtrans-67.6145.7167.9-62.70000111.5L401 C436 K441 L442 T443 A483L401-C481 WeakPolarHBondContact CD2-O 3.18Å; C436-C481 HydrophobicContact CB-CB 3.99Å; C436-C481 WeakPolarHBondContact CB-SG 3.44Å; C436-C481 WeakPolarHBondContact SG-CA 3.44Å; C436-C481 WeakPolarHBondContact SG-CB 3.24Å; C436-C481 CovalentContact SG-SG 2.03Å; C436-C481 PolarHBondContact SG-SG 2.84Å; K441-C481 PolarHBondContact O-SG 3.42Å; L442-C481 VanDerWaalsContact C-SG 3.54Å; L442-C481 PolarHBondContact O-SG 3.28Å; T443-C481 PolarHBondContact OG1-N 3.26Å; T443-C481 PolarHBondContact OG1-SG 3.07Å; T443-C481 VanDerWaalsContact OG1-SG 3.42Å; C481-A483 PolarHBondContact O-N 3.28Å
482D80.2Confident84.9Confident167 Ų16771.2 Ų71.289%0.89336%0.355SS*.PPolyproline II helixtrans-64.9125.1178.2-74.4-28.2000111.4
483A76.2Confident85.7Confident45 Ų4565.5 Ų65.537%0.37233%0.331SS..PPolyproline II helixtrans-100.9135.5174.600000111.1L401 C481 C485L401-A483 HydrophobicContact CD2-CB 4.43Å; C481-A483 PolarHBondContact O-N 3.28Å; A483-C485 PolarHBondContact O-N 3.37Å
484S76.2Confident86.9Confident80 Ų8066.5 Ų66.556%0.55934%0.336SS*.  trans-76104.6177.370.70000110.9
485C84.7Confident87.7Confident11 Ų1167.8 Ų67.87%0.07434%0.34CS..  trans-134.3-0.4-169.7-159.40000116.8C398 A483 K487 Q488 I489C398-C485 WeakPolarHBondContact CA-SG 3.27Å; C398-C485 HydrophobicContact CB-CB 3.73Å; C398-C485 WeakPolarHBondContact CB-SG 3.33Å; C398-C485 WeakPolarHBondContact SG-CB 3.26Å; C398-C485 CovalentContact SG-SG 2Å; C398-C485 PolarHBondContact SG-SG 3.14Å; A483-C485 PolarHBondContact O-N 3.37Å; C485-K487 VanDerWaalsContact C-N 3.34Å; C485-K487 PolarHBondContact O-N 3.19Å; C485-Q488 PolarHBondContact O-N 3.12Å; C485-Q488 PolarHBondContact O-OE1 3.13Å; C485-I489 HydrophobicContact CB-CD1 3.98Å; C485-I489 HydrophobicContact CB-CG1 4.39Å; C485-I489 WeakPolarHBondContact O-CD1 3.02Å; C485-I489 WeakPolarHBondContact O-CG1 3.27Å; C485-I489 PolarHBondContact O-N 3.23Å
486Q87.4Confident88.1Confident140 Ų14064.3 Ų64.365%0.65432%0.322SS*.Hα-helixtrans-57.6-43.6-171.4-174.5175.24.300113.1Y490Q486-Y490 HydrophobicContact CG-CD2 4.06Å; Q486-Y490 HydrophobicContact CG-CE2 3.49Å; Q486-Y490 VanDerWaalsContact CG-CE2 3.49Å; Q486-Y490 WeakPolarHBondContact O-CD2 3.36Å; Q486-Y490 PolarHBondContact O-N 3.1Å
487K90.3Very high88.5Confident149 Ų14967.6 Ų67.665%0.64834%0.339SS*.Hα-helixtrans-66.1-44.1-179.8-175.9179.6177.7-177.50112C485 Y490 Q491C485-K487 VanDerWaalsContact C-N 3.34Å; C485-K487 PolarHBondContact O-N 3.19Å; K487-Y490 PolarHBondContact O-N 3.09Å; K487-Q491 WeakPolarHBondContact O-CG 3.41Å; K487-Q491 PolarHBondContact O-N 3.44Å; K487-Q491 VanDerWaalsContact O-N 3.12Å
488Q91.5Very high88.9Confident56 Ų5665.6 Ų65.626%0.26234%0.337SS..Hα-helixtrans-65.8-40.5-178.8-6390.3-33.300110.8I396 C485 Y490 Q491 F492I396-Q488 HydrophobicContact CG2-CB 3.82Å; I396-Q488 HydrophobicContact CG2-CG 4.45Å; I396-Q488 VanDerWaalsContact CG2-O 3.29Å; I396-Q488 WeakPolarHBondContact CG2-O 3.14Å; C485-Q488 PolarHBondContact O-N 3.12Å; C485-Q488 PolarHBondContact O-OE1 3.13Å; Q488-Y490 PolarHBondContact O-N 3.05Å; Q488-Q491 PolarHBondContact O-N 2.76Å; Q488-F492 WeakPolarHBondContact O-CB 3.45Å; Q488-F492 PolarHBondContact O-N 2.82Å
489I91.7Very high89.4Confident32 Ų3264.1 Ų64.116%0.16433%0.331CS..Hα-helixtrans-57.7-49.4175-72.8162.2000111.1L336 F338 C485 Q491 F492 I493L336-I489 HydrophobicContact CB-CG1 4.44Å; L336-I489 HydrophobicContact CD2-CG1 4.15Å; F338-I489 HydrophobicContact CE1-CD1 3.71Å; F338-I489 HydrophobicContact CE1-CG1 4.16Å; F338-I489 HydrophobicContact CZ-CD1 3.95Å; F338-I489 HydrophobicContact CZ-CG1 3.9Å; F338-I489 HydrophobicContact CZ-CG2 3.79Å; C485-I489 HydrophobicContact CB-CD1 3.98Å; C485-I489 HydrophobicContact CB-CG1 4.39Å; C485-I489 WeakPolarHBondContact O-CD1 3.02Å; C485-I489 WeakPolarHBondContact O-CG1 3.27Å; C485-I489 PolarHBondContact O-N 3.23Å; I489-Q491 PolarHBondContact O-N 3.4Å; I489-F492 PolarHBondContact O-N 3.17Å; I489-I493 HydrophobicContact CG2-CD1 3.7Å; I489-I493 HydrophobicContact CG2-CG1 4.47Å; I489-I493 VanDerWaalsContact O-CG1 3.3Å; I489-I493 WeakPolarHBondContact O-CG1 3.42Å; I489-I493 PolarHBondContact O-N 2.98Å
490Y92.1Very high89.8Confident135 Ų13563.6 Ų63.653%0.52932%0.324SS..Hα-helixtrans-63.5-42.1179.5-71.3-61.9000112.4Q486 K487 Q488 I493 I494Q486-Y490 HydrophobicContact CG-CD2 4.06Å; Q486-Y490 HydrophobicContact CG-CE2 3.49Å; Q486-Y490 VanDerWaalsContact CG-CE2 3.49Å; Q486-Y490 WeakPolarHBondContact O-CD2 3.36Å; Q486-Y490 PolarHBondContact O-N 3.1Å; K487-Y490 PolarHBondContact O-N 3.09Å; Q488-Y490 PolarHBondContact O-N 3.05Å; Y490-I493 PolarHBondContact O-N 3.16Å; Y490-I494 VanDerWaalsContact O-CG1 3.31Å; Y490-I494 WeakPolarHBondContact O-CG1 3.5Å; Y490-I494 PolarHBondContact O-N 3.37Å; Y490-I494 VanDerWaalsContact O-N 3.12Å
491Q92.8Very high90.3Very high91 Ų9163 Ų6343%0.42532%0.323SS..Hα-helixtrans-63.3-42.7177-69177.3-29.100111.8I396 K487 Q488 I489 M495I396-Q491 HydrophobicContact CD1-CB 3.87Å; I396-Q491 HydrophobicContact CG2-CB 4.49Å; K487-Q491 WeakPolarHBondContact O-CG 3.41Å; K487-Q491 PolarHBondContact O-N 3.44Å; K487-Q491 VanDerWaalsContact O-N 3.12Å; Q488-Q491 PolarHBondContact O-N 2.76Å; I489-Q491 PolarHBondContact O-N 3.4Å; Q491-M495 WeakPolarHBondContact O-CG 3.24Å; Q491-M495 PolarHBondContact O-N 3.25Å
492F93.8Very high90.7Very high4 Ų462.6 Ų62.62%0.01832%0.32CS..Hα-helixtrans-58.8-52.2175.3-178.5-80.4000110.7L332 L335 L336 C393 I396 Q488 I489 I494 M495 F496L332-F492 HydrophobicContact CD2-CD1 4.26Å; L332-F492 HydrophobicContact CD2-CE1 3.28Å; L332-F492 HydrophobicContact CD2-CE2 4.41Å; L332-F492 HydrophobicContact CD2-CZ 3.38Å; L335-F492 HydrophobicContact CD1-CE2 4.18Å; L336-F492 HydrophobicContact CD1-CB 4.32Å; L336-F492 HydrophobicContact CD1-CD1 3.72Å; L336-F492 HydrophobicContact CD1-CD2 4.45Å; L336-F492 HydrophobicContact CD1-CE1 4.17Å; L336-F492 HydrophobicContact CD1-CG 3.9Å; L336-F492 HydrophobicContact CD2-CB 4.23Å; L336-F492 HydrophobicContact CD2-CD2 4.41Å; L336-F492 HydrophobicContact CD2-CG 4.27Å; C393-F492 HydrophobicContact CB-CD2 4.39Å; C393-F492 HydrophobicContact CB-CE2 4.48Å; C393-F492 WeakPolarHBondContact O-CD2 3.24Å; C393-F492 WeakPolarHBondContact O-CE2 3.28Å; I396-F492 HydrophobicContact CB-CB 4.37Å; I396-F492 HydrophobicContact CB-CD2 4.38Å; I396-F492 HydrophobicContact CG2-CB 4.17Å; Q488-F492 WeakPolarHBondContact O-CB 3.45Å; Q488-F492 PolarHBondContact O-N 2.82Å; I489-F492 PolarHBondContact O-N 3.17Å; F492-I494 PolarHBondContact O-N 3.23Å; F492-M495 PolarHBondContact O-N 3.34Å; F492-F496 HydrophobicContact CD1-CB 4.13Å; F492-F496 HydrophobicContact CE1-CB 3.88Å; F492-F496 HydrophobicContact CE1-CD1 4.11Å; F492-F496 HydrophobicContact CE1-CD2 4.21Å; F492-F496 AromaticContact CE1-CG 3.82Å; F492-F496 HydrophobicContact CE1-CG 3.82Å; F492-F496 HydrophobicContact CZ-CD2 4.3Å; F492-F496 HydrophobicContact CZ-CG 4.36Å; F492-F496 WeakPolarHBondContact O-CB 3.32Å; F492-F496 PolarHBondContact O-N 3.46Å
493I92.9Very high91.3Very high36 Ų3655.3 Ų55.319%0.18528%0.281CS..Hα-helixtrans-59.8-43.8-176.3-69.2168.6000111.4V350 I489 Y490 F496 I497V350-I493 HydrophobicContact CG2-CG2 4.19Å; I489-I493 HydrophobicContact CG2-CD1 3.7Å; I489-I493 HydrophobicContact CG2-CG1 4.47Å; I489-I493 VanDerWaalsContact O-CG1 3.3Å; I489-I493 WeakPolarHBondContact O-CG1 3.42Å; I489-I493 PolarHBondContact O-N 2.98Å; Y490-I493 PolarHBondContact O-N 3.16Å; I493-F496 PolarHBondContact O-N 3.29Å; I493-I497 HydrophobicContact CG2-CD1 3.95Å; I493-I497 VanDerWaalsContact O-CG1 3.29Å; I493-I497 WeakPolarHBondContact O-CG1 3.33Å; I493-I497 PolarHBondContact O-N 2.99Å
494I94.5Very high92.1Very high115 Ų11555.5 Ų55.559%0.5927%0.274SS*.Hα-helixtrans-62-48.5179.9-68.6166.4000111.1Y490 F492 F496 I497 A498Y490-I494 VanDerWaalsContact O-CG1 3.31Å; Y490-I494 WeakPolarHBondContact O-CG1 3.5Å; Y490-I494 PolarHBondContact O-N 3.37Å; Y490-I494 VanDerWaalsContact O-N 3.12Å; F492-I494 PolarHBondContact O-N 3.23Å; I494-F496 VanDerWaalsContact C-N 3.31Å; I494-F496 PolarHBondContact O-N 3.36Å; I494-I497 WeakPolarHBondContact O-CB 3.4Å; I494-I497 PolarHBondContact O-N 3.27Å; I494-A498 PolarHBondContact O-N 3.02Å
495M94.2Very high92.9Very high59 Ų5951.9 Ų51.929%0.29125%0.248SC..Hα-helixtrans-69.2-32.8-179.9-69.4-67-71.800112S392 C393 Q491 F492 A498 L499S392-M495 WeakPolarHBondContact OG-CE 3.08Å; C393-M495 HydrophobicContact CB-CB 3.48Å; C393-M495 VanDerWaalsContact CB-CB 3.48Å; Q491-M495 WeakPolarHBondContact O-CG 3.24Å; Q491-M495 PolarHBondContact O-N 3.25Å; F492-M495 PolarHBondContact O-N 3.34Å; M495-A498 PolarHBondContact O-N 2.85Å; M495-L499 WeakPolarHBondContact O-CB 3.01Å; M495-L499 PolarHBondContact O-N 2.88Å
496F93.7Very high93.3Very high11 Ų1152 Ų525%0.04825%0.248CC..Hα-helixtrans-70.1-34.3176.5-173.3-119.8000112.7I328 V350 V351 F492 I493 I494 L499 S500I328-F496 HydrophobicContact CD1-CE2 3.81Å; I328-F496 HydrophobicContact CD1-CZ 3.42Å; I328-F496 VanDerWaalsContact CD1-CZ 3.42Å; I328-F496 HydrophobicContact CG1-CE2 4.43Å; I328-F496 HydrophobicContact CG1-CZ 3.96Å; V350-F496 HydrophobicContact CG1-CD1 3.99Å; V350-F496 HydrophobicContact CG1-CE1 4.43Å; V351-F496 HydrophobicContact CG2-CD1 4.34Å; V351-F496 HydrophobicContact CG2-CE1 3.28Å; V351-F496 HydrophobicContact CG2-CZ 3.43Å; V351-F496 VanDerWaalsContact CG2-CZ 3.43Å; F492-F496 HydrophobicContact CD1-CB 4.13Å; F492-F496 HydrophobicContact CE1-CB 3.88Å; F492-F496 HydrophobicContact CE1-CD1 4.11Å; F492-F496 HydrophobicContact CE1-CD2 4.21Å; F492-F496 AromaticContact CE1-CG 3.82Å; F492-F496 HydrophobicContact CE1-CG 3.82Å; F492-F496 HydrophobicContact CZ-CD2 4.3Å; F492-F496 HydrophobicContact CZ-CG 4.36Å; F492-F496 WeakPolarHBondContact O-CB 3.32Å; F492-F496 PolarHBondContact O-N 3.46Å; I493-F496 PolarHBondContact O-N 3.29Å; I494-F496 VanDerWaalsContact C-N 3.31Å; I494-F496 PolarHBondContact O-N 3.36Å; F496-L499 HydrophobicContact CD2-CD2 4.28Å; F496-S500 WeakPolarHBondContact O-CB 3.48Å; F496-S500 PolarHBondContact O-N 3.47Å; F496-S500 PolarHBondContact O-OG 2.86Å
497I95.6Very high93.4Very high68 Ų6847 Ų4735%0.34923%0.232SC..Hα-helixtrans-60.4-49167.9-73.5163.4000110.1V350 V354 I493 I494 L499 S500 F501V350-I497 HydrophobicContact CG1-CD1 4.25Å; V350-I497 HydrophobicContact CG1-CG1 3.41Å; V350-I497 VanDerWaalsContact CG1-CG1 3.41Å; V354-I497 HydrophobicContact CG2-CG1 4.37Å; V354-I497 HydrophobicContact CG2-CG2 3.9Å; I493-I497 HydrophobicContact CG2-CD1 3.95Å; I493-I497 VanDerWaalsContact O-CG1 3.29Å; I493-I497 WeakPolarHBondContact O-CG1 3.33Å; I493-I497 PolarHBondContact O-N 2.99Å; I494-I497 WeakPolarHBondContact O-CB 3.4Å; I494-I497 PolarHBondContact O-N 3.27Å; I497-L499 PolarHBondContact O-N 3.22Å; I497-S500 PolarHBondContact O-N 3.34Å; I497-F501 WeakPolarHBondContact O-CB 3.34Å; I497-F501 PolarHBondContact O-N 3.21Å
498A96.2Very high93.2Very high35 Ų3540.3 Ų40.329%0.28920%0.204SC..Hα-helixtrans-62.9-42.6-179.900000112C390 I494 M495 F501 C502C390-A498 HydrophobicContact CB-CB 4.42Å; I494-A498 PolarHBondContact O-N 3.02Å; M495-A498 PolarHBondContact O-N 2.85Å; A498-F501 PolarHBondContact O-N 2.03Å; A498-C502 PolarHBondContact O-N 2.77Å; A498-C502 PolarHBondContact O-SG 2.62Å
499L95Very high93.1Very high5 Ų537.7 Ų37.73%0.02619%0.191CC..Hα-helixtrans-57.9-52.2173.817662.9000111.3A387 C390 M495 F496 I497 F501 C502 I503A387-L499 HydrophobicContact CB-CD1 4.09Å; A387-L499 VanDerWaalsContact O-CD1 3.26Å; A387-L499 WeakPolarHBondContact O-CD1 3.15Å; C390-L499 HydrophobicContact CB-CB 3.81Å; C390-L499 HydrophobicContact CB-CD1 4.34Å; M495-L499 WeakPolarHBondContact O-CB 3.01Å; M495-L499 PolarHBondContact O-N 2.88Å; F496-L499 HydrophobicContact CD2-CD2 4.28Å; I497-L499 PolarHBondContact O-N 3.22Å; L499-F501 VanDerWaalsContact C-N 3.32Å; L499-F501 PolarHBondContact O-N 2.93Å; L499-C502 PolarHBondContact O-N 2.63Å; L499-I503 HydrophobicContact CD1-CD1 3.96Å; L499-I503 HydrophobicContact CG-CD1 4.09Å; L499-I503 PolarHBondContact O-N 2.76Å
500S93.9Very high93.1Very high6 Ų636.8 Ų36.84%0.04219%0.187CC..Hα-helixtrans-58.8-44.4179.2-60.30000111.1F496 I497 C502 I503 F504F496-S500 WeakPolarHBondContact O-CB 3.48Å; F496-S500 PolarHBondContact O-N 3.47Å; F496-S500 PolarHBondContact O-OG 2.86Å; I497-S500 PolarHBondContact O-N 3.34Å; S500-C502 PolarHBondContact O-N 2.89Å; S500-I503 WeakPolarHBondContact O-CB 3.24Å; S500-I503 PolarHBondContact O-N 3.37Å; S500-F504 WeakPolarHBondContact O-CD2 3.39Å; S500-F504 PolarHBondContact O-N 2.88Å
501F95.9Very high92.7Very high65 Ų6532.4 Ų32.429%0.28517%0.171SC..Hα-helixtrans-59.4-48.5178.1-177.7-91.7000112V354 A358 I361 F383 I497 A498 L499 I503 F504 I505V354-F501 HydrophobicContact CG1-CB 3.75Å; V354-F501 HydrophobicContact CG1-CD2 4.41Å; A358-F501 HydrophobicContact CB-CD2 3.71Å; A358-F501 HydrophobicContact CB-CE2 4.01Å; A358-F501 HydrophobicContact CB-CG 4.31Å; I361-F501 HydrophobicContact CD1-CE2 4.23Å; I361-F501 HydrophobicContact CD1-CZ 4.47Å; F383-F501 HydrophobicContact CE1-CD1 4.41Å; F383-F501 HydrophobicContact CE1-CE1 4.07Å; I497-F501 WeakPolarHBondContact O-CB 3.34Å; I497-F501 PolarHBondContact O-N 3.21Å; A498-F501 PolarHBondContact O-N 2.03Å; L499-F501 VanDerWaalsContact C-N 3.32Å; L499-F501 PolarHBondContact O-N 2.93Å; F501-I503 VanDerWaalsContact C-N 3.26Å; F501-I503 PolarHBondContact O-N 2.89Å; F501-F504 PolarHBondContact O-N 3.28Å; F501-I505 HydrophobicContact CE1-CD1 3.91Å; F501-I505 HydrophobicContact CZ-CD1 3.86Å; F501-I505 WeakPolarHBondContact O-CB 3.36Å; F501-I505 VanDerWaalsContact O-CG2 3.28Å; F501-I505 WeakPolarHBondContact O-CG2 3.43Å; F501-I505 PolarHBondContact O-N 2.96Å
502C95.9Very high92.3Very high4 Ų428.5 Ų28.53%0.02715%0.154CC..Hα-helixtrans-62.2-35.4179.8-65.10000112.3F383 A387 A498 L499 S500 I505 T506F383-C502 HydrophobicContact CD1-CB 4.11Å; A387-C502 HydrophobicContact CB-CB 3.82Å; A498-C502 PolarHBondContact O-N 2.77Å; A498-C502 PolarHBondContact O-SG 2.62Å; L499-C502 PolarHBondContact O-N 2.63Å; S500-C502 PolarHBondContact O-N 2.89Å; C502-I505 WeakPolarHBondContact O-CG2 3.32Å; C502-T506 WeakPolarHBondContact O-CG2 3.07Å
503I93.4Very high91.9Very high14 Ų1428.4 Ų28.47%0.07215%0.153CC..Hα-helixtrans-66.5-58.3175-81.6172.1000110.9M321 L499 S500 F501 I505 T506M321-I503 HydrophobicContact CE-CB 3.99Å; M321-I503 HydrophobicContact CE-CD1 4.1Å; M321-I503 HydrophobicContact CE-CG1 3.91Å; M321-I503 HydrophobicContact CE-CG2 3.08Å; M321-I503 HydrophobicContact SD-CD1 4.3Å; M321-I503 HydrophobicContact SD-CG2 3.87Å; L499-I503 HydrophobicContact CD1-CD1 3.96Å; L499-I503 HydrophobicContact CG-CD1 4.09Å; L499-I503 PolarHBondContact O-N 2.76Å; S500-I503 WeakPolarHBondContact O-CB 3.24Å; S500-I503 PolarHBondContact O-N 3.37Å; F501-I503 VanDerWaalsContact C-N 3.26Å; F501-I503 PolarHBondContact O-N 2.89Å; I503-I505 PolarHBondContact O-N 2.63Å; I503-T506 PolarHBondContact O-N 2.95Å; I503-T506 PolarHBondContact O-OG1 2.93Å
504F92.5Very high91.5Very high49 Ų4927 Ų2722%0.21515%0.147CC..Hα-helixtrans-72.5-27.4-169.1-78.3-74.5000113.7T199 V351 G355 A358 S500 F501 T506 P508T199-F504 HydrophobicContact CG2-CE1 4.39Å; V351-F504 HydrophobicContact CG1-CE2 3.68Å; V351-F504 HydrophobicContact CG1-CZ 4.17Å; G355-F504 VanDerWaalsContact CA-CD2 3.49Å; G355-F504 VanDerWaalsContact CA-CG 3.43Å; A358-F504 HydrophobicContact CB-CB 3.72Å; S500-F504 WeakPolarHBondContact O-CD2 3.39Å; S500-F504 PolarHBondContact O-N 2.88Å; F501-F504 PolarHBondContact O-N 3.28Å; F504-T506 VanDerWaalsContact C-N 3.26Å; F504-T506 PolarHBondContact O-N 2.63Å; F504-P508 VanDerWaalsContact O-CD 3.28Å; F504-P508 WeakPolarHBondContact O-CD 3.19Å
505I93.6Very high90.9Very high4 Ų422.4 Ų22.42%0.02112%0.123CC..Hα-helixtrans-65.6-31176.9-165171.2000112.3A358 I361 G362 I365 F379 F383 F501 C502 I503A358-I505 HydrophobicContact CB-CB 4.21Å; A358-I505 WeakPolarHBondContact O-CA 3.05Å; I361-I505 HydrophobicContact CG2-CD1 3.91Å; I361-I505 HydrophobicContact CG2-CG1 4.42Å; G362-I505 WeakPolarHBondContact CA-O 3.45Å; I365-I505 HydrophobicContact CD1-CD1 4.07Å; F379-I505 HydrophobicContact CZ-CD1 4.15Å; F379-I505 HydrophobicContact CZ-CG1 4.28Å; F383-I505 HydrophobicContact CD1-CG2 3.59Å; F383-I505 HydrophobicContact CD2-CG2 4.48Å; F383-I505 HydrophobicContact CE1-CD1 4.25Å; F383-I505 HydrophobicContact CE1-CG2 3.78Å; F383-I505 HydrophobicContact CG-CG2 3.95Å; F383-I505 HydrophobicContact CZ-CD1 4.01Å; F383-I505 HydrophobicContact CZ-CG2 4.33Å; F501-I505 HydrophobicContact CE1-CD1 3.91Å; F501-I505 HydrophobicContact CZ-CD1 3.86Å; F501-I505 WeakPolarHBondContact O-CB 3.36Å; F501-I505 VanDerWaalsContact O-CG2 3.28Å; F501-I505 WeakPolarHBondContact O-CG2 3.43Å; F501-I505 PolarHBondContact O-N 2.96Å; C502-I505 WeakPolarHBondContact O-CG2 3.32Å; I503-I505 PolarHBondContact O-N 2.63Å
506T92.6Very high90.2Very high13 Ų1322.2 Ų22.28%0.0812%0.119CC..Hα-helixtrans-80.5-26.6-176.963.60000113.4V380 F383 C502 I503 F504 V509 L510V380-T506 HydrophobicContact CB-CG2 4.46Å; V380-T506 HydrophobicContact CG1-CG2 4.22Å; V380-T506 HydrophobicContact CG2-CG2 4.39Å; F383-T506 HydrophobicContact CB-CG2 3.45Å; F383-T506 VanDerWaalsContact CB-CG2 3.45Å; F383-T506 HydrophobicContact CG-CG2 4.2Å; C502-T506 WeakPolarHBondContact O-CG2 3.07Å; I503-T506 PolarHBondContact O-N 2.95Å; I503-T506 PolarHBondContact O-OG1 2.93Å; F504-T506 VanDerWaalsContact C-N 3.26Å; F504-T506 PolarHBondContact O-N 2.63Å; T506-V509 PolarHBondContact O-N 2.73Å; T506-L510 WeakPolarHBondContact O-CB 3.4Å; T506-L510 PolarHBondContact O-N 3.05Å
507A88.5Confident89.6Confident37 Ų3721.9 Ų21.931%0.30612%0.118SC..Hα-helixtrans-61.3-50.5-172.200000113.9V509 L510 Q511A507-V509 VanDerWaalsContact C-N 3.31Å; A507-V509 PolarHBondContact O-N 2.91Å; A507-L510 PolarHBondContact O-N 3.2Å; A507-Q511 WeakPolarHBondContact O-CB 3.2Å; A507-Q511 WeakPolarHBondContact O-CG 3.39Å; A507-Q511 PolarHBondContact O-N 2.93Å
508P87.3Confident89Confident8 Ų818.6 Ų18.65%0.05210%0.102CC..Hα-helixtrans-65.4-33.8176.9-21.233.3000113.2S359 F504 S512S359-P508 WeakPolarHBondContact O-CG 3.15Å; F504-P508 VanDerWaalsContact O-CD 3.28Å; F504-P508 WeakPolarHBondContact O-CD 3.19Å; P508-S512 VanDerWaalsContact O-CB 3.29Å; P508-S512 WeakPolarHBondContact O-CB 3.34Å; P508-S512 PolarHBondContact O-N 3.24Å; P508-S512 PolarHBondContact O-OG 3.24Å
509V90.1Very high88.2Confident0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-64.6-47.6178.2175.70000110G362 I365 F369 S376 F379 V380 T506 A507 S512 S513G362-V509 VanDerWaalsContact O-CG2 3.27Å; G362-V509 WeakPolarHBondContact O-CG2 3.48Å; I365-V509 HydrophobicContact CG2-CG2 4.28Å; F369-V509 HydrophobicContact CD2-CG1 4.19Å; S376-V509 WeakPolarHBondContact OG-CG1 3.36Å; F379-V509 HydrophobicContact CD1-CG1 4.12Å; F379-V509 HydrophobicContact CD1-CG2 4.44Å; F379-V509 HydrophobicContact CE1-CG2 4.1Å; V380-V509 HydrophobicContact CG2-CG1 4.21Å; T506-V509 PolarHBondContact O-N 2.73Å; A507-V509 VanDerWaalsContact C-N 3.31Å; A507-V509 PolarHBondContact O-N 2.91Å; V509-S512 PolarHBondContact O-OG 3.5Å; V509-S512 VanDerWaalsContact O-OG 3.08Å; V509-S513 VanDerWaalsContact O-CB 3.26Å; V509-S513 WeakPolarHBondContact O-CB 3.5Å; V509-S513 PolarHBondContact O-N 2.76Å; V509-S513 VanDerWaalsContact O-N 3.08Å; V509-S513 PolarHBondContact O-OG 3.32Å
510L89.8Confident87.2Confident14 Ų1420.5 Ų20.57%0.07311%0.105CC..Hα-helixtrans-66.1-47.3179.1-179.361.1000112.4M313 Q314 V380 T506 A507 S513 S514 L593M313-L510 HydrophobicContact CE-CD1 3.44Å; M313-L510 VanDerWaalsContact CE-CD1 3.44Å; M313-L510 HydrophobicContact CE-CD2 3.32Å; M313-L510 HydrophobicContact CE-CG 3.99Å; M313-L510 HydrophobicContact SD-CD2 4.09Å; Q314-L510 HydrophobicContact CG-CD2 3.73Å; Q314-L510 HydrophobicContact CG-CG 4.33Å; V380-L510 HydrophobicContact CG2-CB 4.5Å; T506-L510 WeakPolarHBondContact O-CB 3.4Å; T506-L510 PolarHBondContact O-N 3.05Å; A507-L510 PolarHBondContact O-N 3.2Å; L510-S513 PolarHBondContact O-N 2.88Å; L510-S514 WeakPolarHBondContact O-CB 3.1Å; L510-S514 PolarHBondContact O-N 2.84Å; L510-S514 PolarHBondContact O-OG 3.3Å; L510-L593 HydrophobicContact CD1-CD2 4.33Å
511Q84.9Confident86.3Confident43 Ų4325 Ų2520%0.20112%0.124CC..Hα-helixtrans-63.9-43.9-179.6-73.1178.6-1.300112.8L191 A507 S513 S514 L515L191-Q511 HydrophobicContact CD2-CB 4.31Å; A507-Q511 WeakPolarHBondContact O-CB 3.2Å; A507-Q511 WeakPolarHBondContact O-CG 3.39Å; A507-Q511 PolarHBondContact O-N 2.93Å; Q511-S513 VanDerWaalsContact C-N 3.31Å; Q511-S513 PolarHBondContact O-N 3.11Å; Q511-S514 PolarHBondContact O-N 3.49Å; Q511-S514 PolarHBondContact O-OG 3.06Å; Q511-L515 WeakPolarHBondContact O-CG 3.26Å; Q511-L515 PolarHBondContact O-N 2.86Å
512S83.3Confident85.7Confident8 Ų822 Ų226%0.05611%0.111CC..Hα-helixtrans-67-34.6177.158.10000112.2S366 P508 V509 R516S366-S512 VanDerWaalsContact CB-OG 3.31Å; S366-S512 WeakPolarHBondContact CB-OG 3.44Å; P508-S512 VanDerWaalsContact O-CB 3.29Å; P508-S512 WeakPolarHBondContact O-CB 3.34Å; P508-S512 PolarHBondContact O-N 3.24Å; P508-S512 PolarHBondContact O-OG 3.24Å; V509-S512 PolarHBondContact O-OG 3.5Å; V509-S512 VanDerWaalsContact O-OG 3.08Å; S512-R516 WeakPolarHBondContact O-CD 2.98Å; S512-R516 VanDerWaalsContact O-CG 3.3Å; S512-R516 WeakPolarHBondContact O-CG 3.43Å
513S85.4Confident85Confident2 Ų223 Ų231%0.01411%0.114CC..Hα-helixtrans-72.8-37.7177.9-57.10000112.2S376 V509 L510 Q511 R516S376-S513 WeakPolarHBondContact CB-OG 3.41Å; S376-S513 PolarHBondContact OG-OG 3.19Å; V509-S513 VanDerWaalsContact O-CB 3.26Å; V509-S513 WeakPolarHBondContact O-CB 3.5Å; V509-S513 PolarHBondContact O-N 2.76Å; V509-S513 VanDerWaalsContact O-N 3.08Å; V509-S513 PolarHBondContact O-OG 3.32Å; L510-S513 PolarHBondContact O-N 2.88Å; Q511-S513 VanDerWaalsContact C-N 3.31Å; Q511-S513 PolarHBondContact O-N 3.11Å; S513-R516 PolarHBondContact O-N 2.78Å
514S86.1Confident84.4Confident6 Ų622.8 Ų22.84%0.04211%0.113CC..Hα-helixtrans-68.1-40.6-179.565.90000112.4L510 Q511 R516 V517L510-S514 WeakPolarHBondContact O-CB 3.1Å; L510-S514 PolarHBondContact O-N 2.84Å; L510-S514 PolarHBondContact O-OG 3.3Å; Q511-S514 PolarHBondContact O-N 3.49Å; Q511-S514 PolarHBondContact O-OG 3.06Å; S514-R516 PolarHBondContact O-N 3.22Å; S514-V517 WeakPolarHBondContact O-CB 3.34Å; S514-V517 PolarHBondContact O-N 3.35Å; S514-V517 VanDerWaalsContact O-N 3.16Å
515L80.7Confident84.1Confident19 Ų1920.9 Ų20.910%0.09911%0.105CC..Hα-helixtrans-63.2-23.9174.7-71.6173.4000113.7I175 L191 Q511 R523 F526I175-L515 HydrophobicContact CG2-CD1 4.16Å; L191-L515 HydrophobicContact CD2-CD1 4.22Å; Q511-L515 WeakPolarHBondContact O-CG 3.26Å; Q511-L515 PolarHBondContact O-N 2.86Å; L515-R523 PolarHBondContact O-NE 2.91Å; L515-R523 VanDerWaalsContact O-NE 3.09Å; L515-F526 HydrophobicContact CD2-CD1 4.38Å
516R78.9Confident83.8Confident55 Ų5521.1 Ų21.121%0.20811%0.106CC..Hα-helixtrans-81.8-18.1178.2-70.1170.8-177.8155.1-1113.3S366 F369 E370 S512 S513 S514 V518S366-R516 PolarHBondContact O-NH1 3.01Å; F369-R516 PolarHBondContact O-NH1 2Å; E370-R516 VanDerWaalsContact CA-NH1 3.34Å; E370-R516 PolarHBondContact O-NE 2.96Å; S512-R516 WeakPolarHBondContact O-CD 2.98Å; S512-R516 VanDerWaalsContact O-CG 3.3Å; S512-R516 WeakPolarHBondContact O-CG 3.43Å; S513-R516 PolarHBondContact O-N 2.78Å; S514-R516 PolarHBondContact O-N 3.22Å; R516-V518 PolarHBondContact O-N 2.87Å
517V81.3Confident83.5Confident4 Ų421 Ų212%0.02411%0.105CC..Hα-helixtrans-67.7-30.1175.7-176.70000110.4D280 L283 T306 F373 S514D280-V517 HydrophobicContact CB-CG1 3.87Å; D280-V517 VanDerWaalsContact CB-O 3.31Å; D280-V517 WeakPolarHBondContact CB-O 3.35Å; D280-V517 PolarHBondContact N-O 3.35Å; L283-V517 HydrophobicContact CD1-CG1 3.92Å; L283-V517 WeakPolarHBondContact CD1-O 3.3Å; T306-V517 HydrophobicContact CG2-CG1 4.36Å; F373-V517 HydrophobicContact CD2-CG2 3.67Å; F373-V517 HydrophobicContact CE2-CG2 3.27Å; F373-V517 HydrophobicContact CZ-CG2 3.95Å; S514-V517 WeakPolarHBondContact O-CB 3.34Å; S514-V517 PolarHBondContact O-N 3.35Å; S514-V517 VanDerWaalsContact O-N 3.16Å
518V83.4Confident83.5Confident0 Ų019.4 Ų19.40%09%0.092CC..SBendtrans-106.5143.4-171.5-167.80000112.1L283 L301 R516 H522 F526L283-V518 HydrophobicContact CD1-CB 4.5Å; L283-V518 HydrophobicContact CD1-CG2 3.98Å; L301-V518 HydrophobicContact CD2-CG1 4.29Å; L301-V518 HydrophobicContact CD2-CG2 4.39Å; R516-V518 PolarHBondContact O-N 2.87Å; V518-H522 HydrophobicContact CG1-CB 3.68Å; V518-F526 HydrophobicContact CB-CB 4.33Å; V518-F526 HydrophobicContact CB-CG 4.39Å; V518-F526 HydrophobicContact CG1-CB 4.13Å; V518-F526 HydrophobicContact CG2-CB 3.89Å; V518-F526 HydrophobicContact CG2-CD1 3.96Å; V518-F526 HydrophobicContact CG2-CD2 3.61Å; V518-F526 HydrophobicContact CG2-CE1 4.4Å; V518-F526 HydrophobicContact CG2-CE2 4.08Å; V518-F526 HydrophobicContact CG2-CG 3.52Å; V518-F526 HydrophobicContact CG2-CZ 4.46Å
519N78.9Confident83.7Confident31 Ų3120 Ų2017%0.1669%0.093CC..  trans-58.2140.7171.3-175.3-38.8000111.6T279 L283 D284 K521 H522 R523T279-N519 VanDerWaalsContact CG2-CA 3.44Å; T279-N519 HydrophobicContact CG2-CB 3.98Å; L283-N519 WeakPolarHBondContact O-CB 3.41Å; D284-N519 PolarHBondContact OD1-ND2 2.8Å; N519-K521 PolarHBondContact O-N 3.16Å; N519-K521 VanDerWaalsContact O-N 3.12Å; N519-K521 PolarHBondContact OD1-N 2.65Å; N519-K521 VanDerWaalsContact OD1-N 3.07Å; N519-H522 PolarHBondContact O-N 3.28Å; N519-R523 PolarHBondContact O-N 3.48Å
520H74Confident83.8Confident48 Ų4820.2 Ų20.222%0.22210%0.095CC..G310 helixtrans-45.4-41.9178.3-174.1-72.8000113.4D179 H184 K272 H522 R523D179-H520 IonicContact OD2-CD2 2.76Å; D179-H520 IonicContact OD2-NE2 2.91Å; H184-H520 AromaticContact CE1-CD2 3.46Å; H184-H520 PolarHBondContact CE1-CD2 2.61Å; H184-H520 VanDerWaalsContact CE1-CD2 3.46Å; H184-H520 AromaticContact NE2-CD2 3.59Å; K272-H520 PolarHBondContact NZ-NE2 2.78Å; H520-H522 PolarHBondContact O-N 3.49Å; H520-R523 PolarHBondContact O-N 2.93Å
521K76.4Confident83.8Confident101 Ų10122 Ų2244%0.43910%0.101SC..G310 helixtrans-62.5-25.7179.8-67-172.3173.3-167.90113.5D286 N519D286-K521 VanDerWaalsContact CG-NZ 3.28Å; D286-K521 IonicContact OD1-NZ 3.41Å; D286-K521 PolarHBondContact OD1-NZ 3.37Å; D286-K521 IonicContact OD2-NZ 3.19Å; D286-K521 PolarHBondContact OD2-NZ 3.45Å; N519-K521 PolarHBondContact O-N 3.16Å; N519-K521 VanDerWaalsContact O-N 3.12Å; N519-K521 PolarHBondContact OD1-N 2.65Å; N519-K521 VanDerWaalsContact OD1-N 3.07Å
522H82.1Confident84.2Confident1 Ų121.8 Ų21.81%0.00510%0.101CC..G310 helixtrans-107.84.7-174.8-55.5-44.4000113.3K285 I297 V518 N519 H520 D524 H525 F526K285-H522 PolarHBondContact O-NE2 2.9Å; I297-H522 WeakPolarHBondContact CD1-ND1 3.1Å; I297-H522 HydrophobicContact CG2-CB 4.23Å; V518-H522 HydrophobicContact CG1-CB 3.68Å; N519-H522 PolarHBondContact O-N 3.28Å; H520-H522 PolarHBondContact O-N 3.49Å; H522-D524 PolarHBondContact O-N 3.48Å; H522-H525 PolarHBondContact O-N 3.02Å; H522-F526 WeakPolarHBondContact O-CB 3.43Å; H522-F526 PolarHBondContact O-N 3.36Å
523R81.9Confident84.7Confident25 Ų2524.2 Ų24.29%0.09411%0.109CC..Hα-helixtrans-64.5-39-177.2-75.6-178.1-178.81643.9113.3D179 H184 L515 N519 H520 F526 T527D179-R523 IonicContact OD1-NH1 3.73Å; D179-R523 IonicContact OD2-CZ 2.96Å; D179-R523 IonicContact OD2-NH1 3.51Å; D179-R523 PolarHBondContact OD2-NH1 3.15Å; H184-R523 PolarHBondContact CE1-NH1 3.32Å; L515-R523 PolarHBondContact O-NE 2.91Å; L515-R523 VanDerWaalsContact O-NE 3.09Å; N519-R523 PolarHBondContact O-N 3.48Å; H520-R523 PolarHBondContact O-N 2.93Å; R523-F526 PolarHBondContact O-N 3.19Å; R523-T527 VanDerWaalsContact O-CB 3.31Å; R523-T527 WeakPolarHBondContact O-CB 3.2Å; R523-T527 PolarHBondContact O-N 3.27Å; R523-T527 PolarHBondContact O-OG1 3.05Å
524D80.9Confident85.1Confident10 Ų1025.1 Ų25.15%0.05311%0.114CC..Hα-helixtrans-60.1-49.3174-66.4-53.5000110.8A87 K92 T176 H522 F526 T527 C528A87-D524 HydrophobicContact CB-CB 4.08Å; K92-D524 IonicContact NZ-OD1 2.8Å; K92-D524 PolarHBondContact NZ-OD1 3.39Å; K92-D524 IonicContact NZ-OD2 3.89Å; K92-D524 PolarHBondContact NZ-OD2 3.16Å; T176-D524 WeakPolarHBondContact CB-OD1 3.23Å; T176-D524 WeakPolarHBondContact CG2-OD1 3.34Å; T176-D524 PolarHBondContact OG1-OD1 3.29Å; H522-D524 PolarHBondContact O-N 3.48Å; D524-F526 PolarHBondContact O-N 3.39Å; D524-T527 PolarHBondContact O-N 3.13Å; D524-C528 WeakPolarHBondContact O-CB 3.26Å; D524-C528 PolarHBondContact O-N 2.65Å; D524-C528 PolarHBondContact O-SG 3.12Å
525H86.6Confident85.5Confident10 Ų1026.1 Ų26.15%0.04612%0.116CC..Hα-helixtrans-61.2-44.6179-62.5100.8000111.6F294 I297 H522 F529F294-H525 AromaticContact CD2-CD2 3.85Å; I297-H525 HydrophobicContact CG2-CB 3.7Å; H522-H525 PolarHBondContact O-N 3.02Å; H525-F529 WeakPolarHBondContact O-CB 3.39Å; H525-F529 PolarHBondContact O-N 2.56Å
526F87.6Confident86.2Confident9 Ų928.8 Ų28.84%0.03913%0.13CC..Hα-helixtrans-61.5-44.8175.1170.4-105.1000112.2L301 C307 I311 L515 V518 H522 R523 D524 F529 G530L301-F526 HydrophobicContact CD1-CB 4.3Å; L301-F526 HydrophobicContact CD2-CB 4.27Å; L301-F526 HydrophobicContact CD2-CD2 4.12Å; C307-F526 VanDerWaalsContact SG-CE2 3.57Å; I311-F526 HydrophobicContact CD1-CD2 4.28Å; I311-F526 HydrophobicContact CD1-CE2 3.88Å; I311-F526 HydrophobicContact CG1-CE2 3.98Å; L515-F526 HydrophobicContact CD2-CD1 4.38Å; V518-F526 HydrophobicContact CB-CB 4.33Å; V518-F526 HydrophobicContact CB-CG 4.39Å; V518-F526 HydrophobicContact CG1-CB 4.13Å; V518-F526 HydrophobicContact CG2-CB 3.89Å; V518-F526 HydrophobicContact CG2-CD1 3.96Å; V518-F526 HydrophobicContact CG2-CD2 3.61Å; V518-F526 HydrophobicContact CG2-CE1 4.4Å; V518-F526 HydrophobicContact CG2-CE2 4.08Å; V518-F526 HydrophobicContact CG2-CG 3.52Å; V518-F526 HydrophobicContact CG2-CZ 4.46Å; H522-F526 WeakPolarHBondContact O-CB 3.43Å; H522-F526 PolarHBondContact O-N 3.36Å; R523-F526 PolarHBondContact O-N 3.19Å; D524-F526 PolarHBondContact O-N 3.39Å; F526-F529 PolarHBondContact O-N 3.06Å; F526-G530 PolarHBondContact O-N 3.48Å
527T86.3Confident86.9Confident10 Ų1030.4 Ų30.46%0.06114%0.142CC..Hα-helixtrans-62.4-54.5179.5-57.90000109.5R523 D524 F529 G530 W531R523-T527 VanDerWaalsContact O-CB 3.31Å; R523-T527 WeakPolarHBondContact O-CB 3.2Å; R523-T527 PolarHBondContact O-N 3.27Å; R523-T527 PolarHBondContact O-OG1 3.05Å; D524-T527 PolarHBondContact O-N 3.13Å; T527-F529 VanDerWaalsContact C-N 3.33Å; T527-F529 PolarHBondContact O-N 3.1Å; T527-G530 PolarHBondContact O-N 2.91Å; T527-W531 VanDerWaalsContact CG2-CD1 3.45Å; T527-W531 WeakPolarHBondContact O-CB 3.42Å; T527-W531 PolarHBondContact O-N 3.05Å
528C88.8Confident87.6Confident4 Ų430.2 Ų30.23%0.02714%0.141CC..Hα-helixtrans-58.5-42.7177.7-68.50000112.5A84 D524 W531 L532A84-C528 HydrophobicContact CB-CB 3.76Å; D524-C528 WeakPolarHBondContact O-CB 3.26Å; D524-C528 PolarHBondContact O-N 2.65Å; D524-C528 PolarHBondContact O-SG 3.12Å; C528-W531 PolarHBondContact O-N 3.38Å; C528-L532 VanDerWaalsContact O-CB 3.29Å; C528-L532 WeakPolarHBondContact O-CB 3.36Å; C528-L532 PolarHBondContact O-N 3.44Å
529F91.1Very high88Confident20 Ų2030.4 Ų30.49%0.08814%0.143CC..Hα-helixtrans-63.7-47.2177.8-176.7-112.5000111.6I298 L301 F302 M308 I311 H525 F526 T527 L532 W533I298-F529 HydrophobicContact CD1-CB 4.04Å; I298-F529 HydrophobicContact CD1-CD2 3.81Å; I298-F529 HydrophobicContact CD1-CG 4.12Å; I298-F529 HydrophobicContact CG2-CD2 4.07Å; I298-F529 HydrophobicContact CG2-CE2 3.79Å; I298-F529 HydrophobicContact CG2-CZ 4.49Å; L301-F529 HydrophobicContact CB-CD1 4.2Å; L301-F529 HydrophobicContact CB-CE1 4.24Å; L301-F529 HydrophobicContact CD1-CB 4.28Å; L301-F529 HydrophobicContact CD1-CD1 4.24Å; L301-F529 HydrophobicContact CD1-CG 4.42Å; F302-F529 HydrophobicContact CB-CZ 4.44Å; F302-F529 HydrophobicContact CD2-CZ 4.36Å; M308-F529 HydrophobicContact SD-CE1 3.91Å; M308-F529 HydrophobicContact SD-CZ 4.35Å; I311-F529 HydrophobicContact CD1-CD1 3.61Å; I311-F529 HydrophobicContact CD1-CE1 3.82Å; H525-F529 WeakPolarHBondContact O-CB 3.39Å; H525-F529 PolarHBondContact O-N 2.56Å; F526-F529 PolarHBondContact O-N 3.06Å; T527-F529 VanDerWaalsContact C-N 3.33Å; T527-F529 PolarHBondContact O-N 3.1Å; F529-L532 PolarHBondContact O-N 2.69Å; F529-W533 AromaticContact CD2-NE1 3.98Å; F529-W533 AromaticContact CE1-NE1 3.79Å; F529-W533 AromaticContact CE2-CD1 3.76Å; F529-W533 AromaticContact CE2-NE1 3.24Å; F529-W533 AromaticContact CZ-CD1 3.76Å; F529-W533 AromaticContact CZ-NE1 3.13Å; F529-W533 VanDerWaalsContact O-CD1 3.29Å; F529-W533 PolarHBondContact O-N 3.48Å; F529-W533 VanDerWaalsContact O-N 3.13Å
530G91.4Very high88.8Confident4 Ų430.4 Ų30.44%0.04114%0.142CC..Hα-helixtrans-60.1-47.2175.900000112.2F526 T527 L532 W533 M534F526-G530 PolarHBondContact O-N 3.48Å; T527-G530 PolarHBondContact O-N 2.91Å; G530-L532 VanDerWaalsContact C-N 3.32Å; G530-L532 PolarHBondContact O-N 3.21Å; G530-W533 PolarHBondContact O-N 3.4Å; G530-M534 WeakPolarHBondContact O-CB 3.45Å; G530-M534 VanDerWaalsContact O-CG 3.32Å; G530-M534 WeakPolarHBondContact O-CG 3.45Å; G530-M534 PolarHBondContact O-N 2.9Å
531W89.9Confident89.8Confident51 Ų5130 Ų3019%0.19314%0.143CC..Hα-helixtrans-61.8-38.2176-78.3105.7000112.6L80 F171 T527 C528 W533 M534 R535L80-W531 HydrophobicContact CD1-CB 3.75Å; F171-W531 HydrophobicContact CB-CZ2 4.14Å; T527-W531 VanDerWaalsContact CG2-CD1 3.45Å; T527-W531 WeakPolarHBondContact O-CB 3.42Å; T527-W531 PolarHBondContact O-N 3.05Å; C528-W531 PolarHBondContact O-N 3.38Å; W531-W533 PolarHBondContact O-N 3.2Å; W531-M534 HydrophobicContact CB-CE 4.23Å; W531-M534 HydrophobicContact CD2-CE 3.53Å; W531-M534 HydrophobicContact CE3-CE 3.77Å; W531-M534 HydrophobicContact CG-CE 3.74Å; W531-M534 HydrophobicContact CZ3-CE 4.38Å; W531-M534 PolarHBondContact O-N 2.8Å; W531-R535 WeakPolarHBondContact O-CB 3.23Å; W531-R535 WeakPolarHBondContact O-CG 3.48Å; W531-R535 PolarHBondContact O-N 2.73Å
532L93.7Very high90.7Very high39 Ų3925.1 Ų25.120%0.20412%0.123CC..Hα-helixtrans-60.8-46.6176.5-179.2146.8000111.2T77 L80 I81 C528 F529 G530 R535 I536T77-L532 HydrophobicContact CG2-CG 4.37Å; L80-L532 HydrophobicContact CD1-CB 4.11Å; I81-L532 HydrophobicContact CG1-CD1 3.88Å; C528-L532 VanDerWaalsContact O-CB 3.29Å; C528-L532 WeakPolarHBondContact O-CB 3.36Å; C528-L532 PolarHBondContact O-N 3.44Å; F529-L532 PolarHBondContact O-N 2.69Å; G530-L532 VanDerWaalsContact C-N 3.32Å; G530-L532 PolarHBondContact O-N 3.21Å; L532-R535 PolarHBondContact O-N 3.49Å; L532-I536 HydrophobicContact CD2-CD1 3.55Å; L532-I536 HydrophobicContact CG-CD1 3.84Å; L532-I536 WeakPolarHBondContact O-CB 3.17Å; L532-I536 VanDerWaalsContact O-CG1 3.3Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 2.78Å
533W93.4Very high91.2Very high60 Ų6025.1 Ų25.123%0.22712%0.122CC..Hα-helixtrans-63.8-45.4175.1-82.780.8000112.4F302 M308 I311 L312 F529 G530 W531 R535 L537F302-W533 HydrophobicContact CD2-CZ2 4.38Å; F302-W533 HydrophobicContact CE2-CH2 4.41Å; F302-W533 HydrophobicContact CE2-CZ2 4.08Å; M308-W533 HydrophobicContact CE-CH2 4.3Å; M308-W533 HydrophobicContact CE-CZ2 4.13Å; I311-W533 HydrophobicContact CG2-CB 3.62Å; I311-W533 HydrophobicContact CG2-CG 3.92Å; L312-W533 HydrophobicContact CD2-CE3 4.28Å; L312-W533 HydrophobicContact CD2-CZ3 4.17Å; F529-W533 AromaticContact CD2-NE1 3.98Å; F529-W533 AromaticContact CE1-NE1 3.79Å; F529-W533 AromaticContact CE2-CD1 3.76Å; F529-W533 AromaticContact CE2-NE1 3.24Å; F529-W533 AromaticContact CZ-CD1 3.76Å; F529-W533 AromaticContact CZ-NE1 3.13Å; F529-W533 VanDerWaalsContact O-CD1 3.29Å; F529-W533 PolarHBondContact O-N 3.48Å; F529-W533 VanDerWaalsContact O-N 3.13Å; G530-W533 PolarHBondContact O-N 3.4Å; W531-W533 PolarHBondContact O-N 3.2Å; W533-R535 VanDerWaalsContact C-N 3.26Å; W533-R535 PolarHBondContact O-N 3.16Å; W533-L537 HydrophobicContact CE3-CD1 3.53Å; W533-L537 HydrophobicContact CZ3-CD1 3.48Å; W533-L537 VanDerWaalsContact CZ3-CD1 3.48Å; W533-L537 PolarHBondContact O-N 3.24Å
534M93.6Very high91.9Very high21 Ų2126.7 Ų26.710%0.10313%0.132CC..Iπ-helixtrans-59.1-36.5178.1-74.7-172.6-7100112.2Q314 A318 G530 W531 G538 S539Q314-M534 HydrophobicContact CB-CG 4.09Å; Q314-M534 HydrophobicContact CB-SD 3.7Å; A318-M534 HydrophobicContact CB-CB 4.23Å; A318-M534 HydrophobicContact CB-CG 4.39Å; G530-M534 WeakPolarHBondContact O-CB 3.45Å; G530-M534 VanDerWaalsContact O-CG 3.32Å; G530-M534 WeakPolarHBondContact O-CG 3.45Å; G530-M534 PolarHBondContact O-N 2.9Å; W531-M534 HydrophobicContact CB-CE 4.23Å; W531-M534 HydrophobicContact CD2-CE 3.53Å; W531-M534 HydrophobicContact CE3-CE 3.77Å; W531-M534 HydrophobicContact CG-CE 3.74Å; W531-M534 HydrophobicContact CZ3-CE 4.38Å; W531-M534 PolarHBondContact O-N 2.8Å; M534-G538 CarbonylContact O-C 3.52Å; M534-G538 WeakPolarHBondContact O-CA 3.5Å; M534-G538 PolarHBondContact O-N 3.27Å; M534-S539 PolarHBondContact O-N 3.35Å
535R94.4Very high92.6Very high27 Ų2728.7 Ų28.710%0.10214%0.144CC..Iπ-helixtrans-78.1-49.4179.8-64.8-64.1-179.3-171.912.4112.3D73 V76 T77 W531 L532 W533 S539 I540D73-R535 VanDerWaalsContact OD1-CD 3.25Å; D73-R535 WeakPolarHBondContact OD1-CD 3.25Å; D73-R535 IonicContact OD1-CZ 2.61Å; D73-R535 IonicContact OD1-NE 3.71Å; D73-R535 PolarHBondContact OD1-NE 2.72Å; D73-R535 IonicContact OD1-NH1 3.78Å; D73-R535 PolarHBondContact OD1-NH1 3.11Å; D73-R535 IonicContact OD1-NH2 3.24Å; D73-R535 IonicContact OD2-NH1 2.65Å; V76-R535 HydrophobicContact CG1-CG 4.41Å; T77-R535 WeakPolarHBondContact OG1-CB 3.41Å; W531-R535 WeakPolarHBondContact O-CB 3.23Å; W531-R535 WeakPolarHBondContact O-CG 3.48Å; W531-R535 PolarHBondContact O-N 2.73Å; L532-R535 PolarHBondContact O-N 3.49Å; W533-R535 VanDerWaalsContact C-N 3.26Å; W533-R535 PolarHBondContact O-N 3.16Å; R535-S539 PolarHBondContact NH1-OG 3.4Å; R535-S539 VanDerWaalsContact NH1-OG 3.17Å; R535-I540 WeakPolarHBondContact O-CB 3.17Å; R535-I540 WeakPolarHBondContact O-CD1 3.28Å; R535-I540 VanDerWaalsContact O-CG1 3.28Å; R535-I540 WeakPolarHBondContact O-CG1 3.36Å; R535-I540 PolarHBondContact O-N 2.86Å
536I95.2Very high93Very high75 Ų7528.2 Ų28.239%0.38514%0.142SC..Iπ-helixtrans-62.8-46.8-176.6-67.2174.2000111.9T77 L532 P541T77-I536 HydrophobicContact CG2-CD1 3.66Å; T77-I536 HydrophobicContact CG2-CG1 3.4Å; T77-I536 VanDerWaalsContact CG2-CG1 3.4Å; L532-I536 HydrophobicContact CD2-CD1 3.55Å; L532-I536 HydrophobicContact CG-CD1 3.84Å; L532-I536 WeakPolarHBondContact O-CB 3.17Å; L532-I536 VanDerWaalsContact O-CG1 3.3Å; L532-I536 WeakPolarHBondContact O-CG1 3.42Å; L532-I536 PolarHBondContact O-N 2.78Å; I536-P541 VanDerWaalsContact O-CD 3.3Å; I536-P541 WeakPolarHBondContact O-CD 3.39Å
537L95.1Very high93.3Very high88 Ų8827.8 Ų27.846%0.46114%0.141SC..Iπ-helixtrans-106.6-15.3-172.3-64.5-176.3000113.4T315 W533T315-L537 HydrophobicContact CG2-CB 3.5Å; T315-L537 VanDerWaalsContact CG2-CB 3.5Å; W533-L537 HydrophobicContact CE3-CD1 3.53Å; W533-L537 HydrophobicContact CZ3-CD1 3.48Å; W533-L537 VanDerWaalsContact CZ3-CD1 3.48Å; W533-L537 PolarHBondContact O-N 3.24Å
538G94.7Very high93.8Very high0 Ų034.2 Ų34.20%017%0.165CC..Iπ-helixtrans-103.6-81.5-179.700000111.9T315 M319 M534 I540 P541 G542T315-G538 VanDerWaalsContact O-CA 3.25Å; T315-G538 WeakPolarHBondContact O-CA 3.3Å; M319-G538 VanDerWaalsContact CA-O 3.28Å; M319-G538 WeakPolarHBondContact CA-O 3.29Å; M534-G538 CarbonylContact O-C 3.52Å; M534-G538 WeakPolarHBondContact O-CA 3.5Å; M534-G538 PolarHBondContact O-N 3.27Å; G538-I540 PolarHBondContact O-N 3.01Å; G538-P541 WeakPolarHBondContact O-CD 3.46Å; G538-G542 PolarHBondContact O-N 3.32Å
539S93.2Very high94.1Very high5 Ų535.3 Ų35.34%0.03517%0.17CC..Iπ-helixtrans-60.1-48.5-169.7-52.90000113.6D73 N322 M534 R535 G542 A543D73-S539 VanDerWaalsContact OD2-CB 3.22Å; D73-S539 WeakPolarHBondContact OD2-CB 3.38Å; N322-S539 WeakPolarHBondContact ND2-CB 3.36Å; N322-S539 PolarHBondContact ND2-O 3.29Å; M534-S539 PolarHBondContact O-N 3.35Å; R535-S539 PolarHBondContact NH1-OG 3.4Å; R535-S539 VanDerWaalsContact NH1-OG 3.17Å; S539-G542 PolarHBondContact O-N 2.95Å; S539-A543 PolarHBondContact O-N 2.69Å
540I95.2Very high94.3Very high30 Ų3034.5 Ų34.515%0.15417%0.167CC..Hα-helixtrans-62.8-54.2-176.8-65.1162000110.9A70 D73 V74 R535 G538 G542 I544A70-I540 HydrophobicContact CB-CG2 4.3Å; D73-I540 HydrophobicContact CB-CD1 4.24Å; D73-I540 HydrophobicContact CB-CG1 3.52Å; V74-I540 HydrophobicContact CB-CD1 4.36Å; V74-I540 HydrophobicContact CG2-CD1 3.71Å; V74-I540 HydrophobicContact CG2-CG1 4.05Å; V74-I540 HydrophobicContact CG2-CG2 4.34Å; R535-I540 WeakPolarHBondContact O-CB 3.17Å; R535-I540 WeakPolarHBondContact O-CD1 3.28Å; R535-I540 VanDerWaalsContact O-CG1 3.28Å; R535-I540 WeakPolarHBondContact O-CG1 3.36Å; R535-I540 PolarHBondContact O-N 2.86Å; G538-I540 PolarHBondContact O-N 3.01Å; I540-G542 VanDerWaalsContact C-N 3.29Å; I540-G542 PolarHBondContact O-N 2.01Å; I540-I544 HydrophobicContact CG2-CD1 4.12Å; I540-I544 WeakPolarHBondContact O-CG1 3.28Å; I540-I544 PolarHBondContact O-N 3.33Å
541P95.2Very high94.5Very high39 Ų3935.1 Ų35.125%0.25317%0.169SC..Hα-helixtrans-61.2-36.9173.9-24.435.2000112.9I536 G538 A543 I544 V545I536-P541 VanDerWaalsContact O-CD 3.3Å; I536-P541 WeakPolarHBondContact O-CD 3.39Å; G538-P541 WeakPolarHBondContact O-CD 3.46Å; P541-A543 PolarHBondContact O-N 2.95Å; P541-I544 PolarHBondContact O-N 3.42Å; P541-V545 VanDerWaalsContact O-CB 3.26Å; P541-V545 WeakPolarHBondContact O-CB 3.01Å; P541-V545 WeakPolarHBondContact O-CG2 3.08Å; P541-V545 PolarHBondContact O-N 3.45Å
542G94.3Very high94.7Very high0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-55.6-50.9-177.200000113.2M319 G538 S539 I540 F546M319-G542 WeakPolarHBondContact O-CA 3.33Å; G538-G542 PolarHBondContact O-N 3.32Å; S539-G542 PolarHBondContact O-N 2.95Å; I540-G542 VanDerWaalsContact C-N 3.29Å; I540-G542 PolarHBondContact O-N 2.01Å; G542-F546 WeakPolarHBondContact O-CB 3.47Å; G542-F546 WeakPolarHBondContact O-CD2 3.07Å; G542-F546 PolarHBondContact O-N 2.85Å; G542-F546 VanDerWaalsContact O-N 3.1Å
543A93.6Very high94.7Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-66.4-41.2178.400000112.2A69 A70 T326 F327 S539 P541 G547A69-A543 HydrophobicContact CB-CB 4.49Å; A70-A543 HydrophobicContact CB-CB 4.29Å; T326-A543 HydrophobicContact CG2-CB 4.47Å; F327-A543 WeakPolarHBondContact CE2-O 3.45Å; S539-A543 PolarHBondContact O-N 2.69Å; P541-A543 PolarHBondContact O-N 2.95Å; A543-G547 PolarHBondContact O-N 3.2Å
544I95.2Very high94.7Very high58 Ų5834 Ų3430%0.29718%0.175SC..Hα-helixtrans-68.8-44.5-178.5-61.3170.8000111.1T63 I67 A70 I540 P541 F546 G547 Y548T63-I544 HydrophobicContact CG2-CG2 4.35Å; I67-I544 HydrophobicContact CG1-CD1 4.43Å; I67-I544 HydrophobicContact CG1-CG1 4.22Å; A70-I544 HydrophobicContact CB-CD1 4.38Å; A70-I544 HydrophobicContact CB-CG1 4.21Å; I540-I544 HydrophobicContact CG2-CD1 4.12Å; I540-I544 WeakPolarHBondContact O-CG1 3.28Å; I540-I544 PolarHBondContact O-N 3.33Å; P541-I544 PolarHBondContact O-N 3.42Å; I544-F546 PolarHBondContact O-N 2.63Å; I544-G547 PolarHBondContact O-N 3Å; I544-Y548 WeakPolarHBondContact O-CB 3.13Å; I544-Y548 PolarHBondContact O-N 2.82Å
545V95.6Very high94.6Very high52 Ų5236.3 Ų36.332%0.31519%0.187SC..Hα-helixtrans-62.9-43.2178.4169.70000110.5P541 Y548 I549 F581P541-V545 VanDerWaalsContact O-CB 3.26Å; P541-V545 WeakPolarHBondContact O-CB 3.01Å; P541-V545 WeakPolarHBondContact O-CG2 3.08Å; P541-V545 PolarHBondContact O-N 3.45Å; V545-Y548 PolarHBondContact O-N 3.34Å; V545-I549 HydrophobicContact CG1-CD1 3.85Å; V545-I549 HydrophobicContact CG1-CG1 4.38Å; V545-I549 VanDerWaalsContact O-CG1 3.27Å; V545-I549 WeakPolarHBondContact O-CG1 3.03Å; V545-I549 PolarHBondContact O-N 2.82Å; V545-F581 HydrophobicContact CG1-CE2 4.22Å
546F95Very high94.3Very high1 Ų137.4 Ų37.40%0.00419%0.191CC..Hα-helixtrans-66-42177.6-85.3-125000111.7L320 G323 Y324 F327 G542 I544 Y548 I549 I550 F578 F581L320-F546 HydrophobicContact CD1-CZ 4.18Å; G323-F546 VanDerWaalsContact CA-CD1 3.47Å; G323-F546 VanDerWaalsContact CA-CG 3.44Å; G323-F546 WeakPolarHBondContact O-CD1 3.45Å; Y324-F546 HydrophobicContact CD1-CE1 4.03Å; Y324-F546 HydrophobicContact CE1-CE1 4.27Å; Y324-F546 HydrophobicContact CG-CE1 4.47Å; F327-F546 HydrophobicContact CD2-CB 3.71Å; F327-F546 HydrophobicContact CE2-CB 3.97Å; G542-F546 WeakPolarHBondContact O-CB 3.47Å; G542-F546 WeakPolarHBondContact O-CD2 3.07Å; G542-F546 PolarHBondContact O-N 2.85Å; G542-F546 VanDerWaalsContact O-N 3.1Å; I544-F546 PolarHBondContact O-N 2.63Å; F546-Y548 VanDerWaalsContact C-N 3.32Å; F546-Y548 PolarHBondContact O-N 2.95Å; F546-I549 PolarHBondContact O-N 2.72Å; F546-I550 WeakPolarHBondContact O-CD1 3.26Å; F546-I550 VanDerWaalsContact O-CG1 3.27Å; F546-I550 WeakPolarHBondContact O-CG1 2.93Å; F546-I550 PolarHBondContact O-N 3.15Å; F546-F578 AromaticContact CD1-CD1 3.86Å; F546-F578 HydrophobicContact CD1-CD1 3.86Å; F546-F578 AromaticContact CD1-CE1 3.16Å; F546-F578 HydrophobicContact CD1-CE1 3.16Å; F546-F578 AromaticContact CD1-CZ 3.59Å; F546-F578 HydrophobicContact CD1-CZ 3.59Å; F546-F578 AromaticContact CE1-CD1 3.49Å; F546-F578 HydrophobicContact CE1-CD1 3.49Å; F546-F578 VanDerWaalsContact CE1-CD1 3.49Å; F546-F578 AromaticContact CE1-CE1 3.31Å; F546-F578 HydrophobicContact CE1-CE1 3.31Å; F546-F578 HydrophobicContact CE1-CG 4.45Å; F546-F578 HydrophobicContact CE1-CZ 4.11Å; F546-F578 HydrophobicContact CG-CE1 4.25Å; F546-F578 HydrophobicContact CG-CZ 4.31Å; F546-F578 HydrophobicContact CZ-CD1 4.41Å; F546-F578 HydrophobicContact CZ-CE1 4.49Å; F546-F581 AromaticContact CE2-CD1 3.68Å; F546-F581 HydrophobicContact CE2-CD1 3.68Å; F546-F581 AromaticContact CE2-CE1 3.44Å; F546-F581 HydrophobicContact CE2-CE1 3.44Å; F546-F581 VanDerWaalsContact CE2-CE1 3.44Å; F546-F581 HydrophobicContact CE2-CG 4.45Å; F546-F581 HydrophobicContact CE2-CZ 4.01Å; F546-F581 AromaticContact CZ-CD1 3.84Å; F546-F581 HydrophobicContact CZ-CD1 3.84Å; F546-F581 AromaticContact CZ-CE1 3.97Å; F546-F581 HydrophobicContact CZ-CE1 3.97Å
547G94.9Very high94Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-57.5-45.517200000112.1S62 A543 I544 I550 D551S62-G547 WeakPolarHBondContact CB-O 2.89Å; S62-G547 WeakPolarHBondContact O-CA 2.92Å; A543-G547 PolarHBondContact O-N 3.2Å; I544-G547 PolarHBondContact O-N 3Å; G547-I550 PolarHBondContact O-N 2.79Å; G547-D551 PolarHBondContact O-N 3.18Å
548Y95.9Very high93.4Very high145 Ų14533.5 Ų33.557%0.56917%0.166SC*.Hα-helixtrans-63.9-44177.1179.4-103000112.8T63 I544 V545 F546 I550 D551 V552T63-Y548 WeakPolarHBondContact OG1-CA 3.2Å; T63-Y548 PolarHBondContact OG1-N 3.16Å; I544-Y548 WeakPolarHBondContact O-CB 3.13Å; I544-Y548 PolarHBondContact O-N 2.82Å; V545-Y548 PolarHBondContact O-N 3.34Å; F546-Y548 VanDerWaalsContact C-N 3.32Å; F546-Y548 PolarHBondContact O-N 2.95Å; Y548-I550 VanDerWaalsContact C-N 3.27Å; Y548-I550 PolarHBondContact O-N 2.86Å; Y548-D551 PolarHBondContact O-N 3.37Å; Y548-V552 HydrophobicContact CD1-CG2 4.04Å; Y548-V552 HydrophobicContact CD2-CG2 4.21Å; Y548-V552 HydrophobicContact CE1-CG2 3.56Å; Y548-V552 HydrophobicContact CE2-CG2 3.74Å; Y548-V552 HydrophobicContact CG-CG2 4.35Å; Y548-V552 WeakPolarHBondContact O-CG2 3.23Å; Y548-V552 PolarHBondContact O-N 3.15Å
549I96.1Very high92.6Very high27 Ų2739.5 Ų39.514%0.13819%0.192CC..Hα-helixtrans-58.7-41.9175.8-69.3167.2000110.2V545 F546 N553 L574 A577 F578V545-I549 HydrophobicContact CG1-CD1 3.85Å; V545-I549 HydrophobicContact CG1-CG1 4.38Å; V545-I549 VanDerWaalsContact O-CG1 3.27Å; V545-I549 WeakPolarHBondContact O-CG1 3.03Å; V545-I549 PolarHBondContact O-N 2.82Å; F546-I549 PolarHBondContact O-N 2.72Å; I549-N553 PolarHBondContact O-N 3.03Å; I549-N553 PolarHBondContact O-ND2 3.43Å; I549-L574 HydrophobicContact CG2-CD1 4.2Å; I549-A577 HydrophobicContact CG2-CB 3.65Å; I549-F578 HydrophobicContact CB-CE2 4.33Å; I549-F578 HydrophobicContact CG2-CD2 3.98Å; I549-F578 HydrophobicContact CG2-CE2 3.68Å
550I94.7Very high91.5Very high3 Ų341.5 Ų41.52%0.01520%0.203CC..Hα-helixtrans-63-46.2176.9-66.7163.8000110.4S62 F327 F546 G547 Y548 N553 C554 Y569 L574 F578S62-I550 VanDerWaalsContact OG-CG2 3.24Å; S62-I550 WeakPolarHBondContact OG-CG2 3.29Å; F327-I550 HydrophobicContact CB-CD1 3.83Å; F327-I550 HydrophobicContact CD1-CD1 3.53Å; F327-I550 HydrophobicContact CD2-CD1 4.13Å; F327-I550 HydrophobicContact CE1-CD1 4.08Å; F327-I550 HydrophobicContact CG-CD1 3.55Å; F546-I550 WeakPolarHBondContact O-CD1 3.26Å; F546-I550 VanDerWaalsContact O-CG1 3.27Å; F546-I550 WeakPolarHBondContact O-CG1 2.93Å; F546-I550 PolarHBondContact O-N 3.15Å; G547-I550 PolarHBondContact O-N 2.79Å; Y548-I550 VanDerWaalsContact C-N 3.27Å; Y548-I550 PolarHBondContact O-N 2.86Å; I550-N553 CarbonylContact O-C 3.56Å; I550-N553 PolarHBondContact O-N 3.4Å; I550-C554 PolarHBondContact O-N 3.38Å; I550-Y569 HydrophobicContact CG2-CD1 3.86Å; I550-Y569 HydrophobicContact CG2-CE1 3.3Å; I550-Y569 WeakPolarHBondContact O-CD1 3.07Å; I550-Y569 WeakPolarHBondContact O-CE1 3.34Å; I550-L574 HydrophobicContact CB-CD1 4.43Å; I550-L574 HydrophobicContact CG1-CD1 3.9Å; I550-F578 HydrophobicContact CD1-CZ 4.18Å; I550-F578 HydrophobicContact CG1-CE2 4.17Å; I550-F578 HydrophobicContact CG1-CZ 3.95Å
551D94.7Very high90.2Very high16 Ų1643.8 Ų43.89%0.08622%0.22CC..Hα-helixtrans-65.6-39.9-179.4-72.3-21.1000113.2T61 S62 T63 G547 Y548 N553 C554 W557T61-D551 WeakPolarHBondContact CB-OD2 3.47Å; S62-D551 WeakPolarHBondContact CA-OD1 2.96Å; S62-D551 WeakPolarHBondContact CB-OD1 3.31Å; S62-D551 PolarHBondContact N-OD1 2.9Å; S62-D551 PolarHBondContact N-OD2 3.26Å; S62-D551 PolarHBondContact OG-OD1 2.83Å; T63-D551 VanDerWaalsContact CB-OD2 3.29Å; T63-D551 WeakPolarHBondContact CB-OD2 3.42Å; T63-D551 PolarHBondContact N-OD2 3.35Å; T63-D551 PolarHBondContact OG1-OD2 2.96Å; G547-D551 PolarHBondContact O-N 3.18Å; Y548-D551 PolarHBondContact O-N 3.37Å; D551-N553 PolarHBondContact O-N 3.3Å; D551-C554 WeakPolarHBondContact O-CB 3.29Å; D551-C554 PolarHBondContact O-N 3.38Å; D551-W557 HydrophobicContact CB-CH2 3.97Å; D551-W557 HydrophobicContact CB-CZ2 4.04Å
552V94.9Very high89Confident86 Ų8644 Ų4452%0.52122%0.221SC..Hα-helixtrans-63.3-30.8175.8169.60000111.6Y548 C554Y548-V552 HydrophobicContact CD1-CG2 4.04Å; Y548-V552 HydrophobicContact CD2-CG2 4.21Å; Y548-V552 HydrophobicContact CE1-CG2 3.56Å; Y548-V552 HydrophobicContact CE2-CG2 3.74Å; Y548-V552 HydrophobicContact CG-CG2 4.35Å; Y548-V552 WeakPolarHBondContact O-CG2 3.23Å; Y548-V552 PolarHBondContact O-N 3.15Å; V552-C554 PolarHBondContact O-N 2.88Å
553N94.3Very high88Confident20 Ų2045.3 Ų45.311%0.10723%0.23CC..THydrogen-bonded Turntrans-86.811175.9-71.8-72.4000113I549 I550 D551 Y569 N570 N573 L574I549-N553 PolarHBondContact O-N 3.03Å; I549-N553 PolarHBondContact O-ND2 3.43Å; I550-N553 CarbonylContact O-C 3.56Å; I550-N553 PolarHBondContact O-N 3.4Å; D551-N553 PolarHBondContact O-N 3.3Å; N553-Y569 WeakPolarHBondContact O-CA 3.33Å; N553-N570 PolarHBondContact O-N 3.1Å; N553-N573 WeakPolarHBondContact OD1-CB 3.15Å; N553-L574 HydrophobicContact CB-CB 4.35Å; N553-L574 HydrophobicContact CB-CD1 4.26Å
554C93.4Very high87.4Confident20 Ų2049.3 Ų49.314%0.13525%0.249CC..EExtended strand (participates in β ladder)trans-68.9129.7171.6-173.70000111.3I550 D551 V552 Y556 W557 C566 Y569I550-C554 PolarHBondContact O-N 3.38Å; D551-C554 WeakPolarHBondContact O-CB 3.29Å; D551-C554 PolarHBondContact O-N 3.38Å; V552-C554 PolarHBondContact O-N 2.88Å; C554-Y556 VanDerWaalsContact SG-C 3.51Å; C554-Y556 PolarHBondContact SG-O 3Å; C554-Y556 VanDerWaalsContact SG-O 3.33Å; C554-W557 HydrophobicContact CB-CD2 4.4Å; C554-W557 HydrophobicContact CB-CZ2 3.72Å; C554-W557 VanDerWaalsContact SG-CE2 3.56Å; C554-C566 WeakPolarHBondContact CA-SG 3.35Å; C554-C566 HydrophobicContact CB-CB 3.78Å; C554-C566 WeakPolarHBondContact CB-SG 3.37Å; C554-C566 WeakPolarHBondContact SG-CB 3.22Å; C554-C566 CovalentContact SG-SG 2.01Å; C554-C566 PolarHBondContact SG-SG 3.34Å; C554-Y569 HydrophobicContact CB-CD1 4.31Å; C554-Y569 HydrophobicContact CB-CE1 4.33Å
555M91Very high86.9Confident71 Ų7147.3 Ų47.335%0.3524%0.238SC..EExtended strand (participates in β ladder)trans-95.6-32.4174-61.3-170.773.300112.4V406 N407 F568 N570V406-M555 HydrophobicContact CG1-CB 3.75Å; V406-M555 HydrophobicContact CG1-CE 4.46Å; N407-M555 HydrophobicContact CB-CE 3.38Å; N407-M555 HydrophobicContact CB-SD 4.23Å; M555-F568 HydrophobicContact CB-CD1 3.91Å; M555-F568 HydrophobicContact CG-CD1 4.32Å; M555-F568 PolarHBondContact N-O 3.05Å; M555-F568 HydrophobicContact SD-CD1 3.9Å; M555-F568 HydrophobicContact SD-CE1 3.75Å; M555-N570 HydrophobicContact CG-CB 3.81Å; M555-N570 HydrophobicContact SD-CB 3.79Å
556Y88.8Confident86.7Confident49 Ų4945 Ų4519%0.19222%0.224CC..EExtended strand (participates in β ladder)trans-136.4115.6179.5-175.7-98.6000112.2V406 L445 C554 Q558 Q567 F568V406-Y556 HydrophobicContact CG2-CD2 4.15Å; V406-Y556 HydrophobicContact CG2-CG 4.36Å; L445-Y556 HydrophobicContact CD1-CD1 4.42Å; L445-Y556 HydrophobicContact CD1-CD2 3.95Å; L445-Y556 HydrophobicContact CD1-CE1 4.05Å; L445-Y556 HydrophobicContact CD1-CE2 3.53Å; L445-Y556 HydrophobicContact CD1-CG 4.37Å; L445-Y556 HydrophobicContact CD2-CD1 4.02Å; L445-Y556 HydrophobicContact CD2-CE1 4.16Å; L445-Y556 HydrophobicContact CD2-CG 4.26Å; C554-Y556 VanDerWaalsContact SG-C 3.51Å; C554-Y556 PolarHBondContact SG-O 3Å; C554-Y556 VanDerWaalsContact SG-O 3.33Å; Y556-Q558 HydrophobicContact CE1-CB 4.48Å; Y556-Q567 HydrophobicContact CD1-CB 4.27Å; Y556-Q567 PolarHBondContact O-N 2.73Å; Y556-F568 PolarHBondContact N-O 2.72Å
557W88.4Confident86.2Confident68 Ų6846.5 Ų46.526%0.25823%0.231SC..EExtended strand (participates in β ladder)trans-92.2115.4173.6-72.198.2000110T61 D551 C554 K559 Q564 C566T61-W557 HydrophobicContact CG2-CH2 4.07Å; T61-W557 HydrophobicContact CG2-CZ3 3.84Å; D551-W557 HydrophobicContact CB-CH2 3.97Å; D551-W557 HydrophobicContact CB-CZ2 4.04Å; C554-W557 HydrophobicContact CB-CD2 4.4Å; C554-W557 HydrophobicContact CB-CZ2 3.72Å; C554-W557 VanDerWaalsContact SG-CE2 3.56Å; W557-K559 HydrophobicContact CB-CG 4.23Å; W557-K559 PolarHBondContact O-N 3.21Å; W557-Q564 HydrophobicContact CE3-CB 4.11Å; W557-Q564 HydrophobicContact CE3-CG 3.92Å; W557-Q564 HydrophobicContact CZ3-CG 4.14Å; W557-C566 HydrophobicContact CD2-CB 4.37Å; W557-C566 HydrophobicContact CE3-CB 4.03Å; W557-C566 HydrophobicContact CH2-CB 4.18Å; W557-C566 HydrophobicContact CZ3-CB 3.92Å
558Q83Confident85.8Confident14 Ų1447.6 Ų47.67%0.06524%0.236CC..EExtended strand (participates in β ladder)trans-73.9112162.3173.8170.87.500107.8S430 Y556 Q564 K565 Q567S430-Q558 VanDerWaalsContact O-CG 3.22Å; S430-Q558 WeakPolarHBondContact O-CG 3.25Å; S430-Q558 PolarHBondContact O-NE2 3.14Å; Y556-Q558 HydrophobicContact CE1-CB 4.48Å; Q558-Q564 CarbonylContact O-C 3.56Å; Q558-Q564 VanDerWaalsContact O-CA 3.24Å; Q558-Q564 WeakPolarHBondContact O-CA 3.25Å; Q558-K565 WeakPolarHBondContact CB-O 3.42Å; Q558-K565 PolarHBondContact N-O 3.27Å; Q558-K565 PolarHBondContact O-N 2.93Å; Q558-Q567 HydrophobicContact CB-CG 3.82Å
559K76.7Confident85.6Confident125 Ų12541.9 Ų41.954%0.54321%0.213SC..EExtended strand (participates in β ladder)trans-103.5123.4178.6-62.7178.9-178176.70109.4S430 W557 Q564S430-K559 WeakPolarHBondContact CB-O 3.22Å; S430-K559 PolarHBondContact OG-O 3.41Å; W557-K559 HydrophobicContact CB-CG 4.23Å; W557-K559 PolarHBondContact O-N 3.21Å; K559-Q564 HydrophobicContact CG-CB 4.09Å
560D71.7Confident85.4Confident47 Ų4742.7 Ų42.725%0.25122%0.218SC..  trans-97.1172.4157.6-59.2-81.9000109K59 V562 S563K59-D560 WeakPolarHBondContact CD-OD2 3.5Å; K59-D560 VanDerWaalsContact CE-OD2 3.29Å; K59-D560 WeakPolarHBondContact CE-OD2 3.45Å; K59-D560 IonicContact NZ-OD1 2.79Å; K59-D560 PolarHBondContact NZ-OD1 3.39Å; K59-D560 IonicContact NZ-OD2 3.8Å; K59-D560 PolarHBondContact NZ-OD2 3Å; D560-V562 PolarHBondContact O-N 3.48Å; D560-S563 PolarHBondContact N-O 2.99Å
561C66.6Low85.2Confident78 Ų7843.4 Ų43.453%0.52722%0.224SC..SBendtrans-55.5-24.2-178.8-56.90000114.6C139C139-C561 WeakPolarHBondContact CA-SG 3.43Å; C139-C561 HydrophobicContact CB-CB 3.52Å; C139-C561 WeakPolarHBondContact CB-SG 3.01Å; C139-C561 WeakPolarHBondContact SG-CA 3.4Å; C139-C561 WeakPolarHBondContact SG-CB 3.27Å; C139-C561 CovalentContact SG-SG 2.03Å; C139-C561 PolarHBondContact SG-SG 3.17Å
562V70Confident85.1Confident45 Ų4544 Ų4427%0.27323%0.23SC..SBendtrans-122.7-29.6-173.4176.20000113.8D145 T146 A149 D560D145-V562 HydrophobicContact CB-CG2 3.42Å; D145-V562 VanDerWaalsContact CB-CG2 3.42Å; T146-V562 HydrophobicContact CG2-CG1 4.4Å; A149-V562 HydrophobicContact CB-CB 4.48Å; A149-V562 HydrophobicContact CB-CG1 3.38Å; D560-V562 PolarHBondContact O-N 3.48Å
563S73.7Confident85Confident27 Ų2743.8 Ų43.819%0.18923%0.226CC..  trans-135149.3-166.756.60000109.6D560D560-S563 PolarHBondContact N-O 2.99Å
564Q81Confident85Confident83 Ų8342.9 Ų42.939%0.38822%0.221SC..EExtended strand (participates in β ladder)trans-134.3137.5176.763.6-174.6-2300110.2T61 W557 Q558 K559T61-Q564 HydrophobicContact CG2-CG 4.22Å; W557-Q564 HydrophobicContact CE3-CB 4.11Å; W557-Q564 HydrophobicContact CE3-CG 3.92Å; W557-Q564 HydrophobicContact CZ3-CG 4.14Å; Q558-Q564 CarbonylContact O-C 3.56Å; Q558-Q564 VanDerWaalsContact O-CA 3.24Å; Q558-Q564 WeakPolarHBondContact O-CA 3.25Å; K559-Q564 HydrophobicContact CG-CB 4.09Å
565K85.5Confident85Confident17 Ų1742 Ų427%0.07422%0.215CC..EExtended strand (participates in β ladder)trans-128.2132.7177.1-174.3-162.2171.6-130.50108.9K56 Q558K56-K565 VanDerWaalsContact CG-NZ 3.27Å; Q558-K565 WeakPolarHBondContact CB-O 3.42Å; Q558-K565 PolarHBondContact N-O 3.27Å; Q558-K565 PolarHBondContact O-N 2.93Å
566C89.6Confident85.3Confident2 Ų243 Ų431%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-72.1133.3170.9-171.30000110.6C554 W557 F568 Y569C554-C566 WeakPolarHBondContact CA-SG 3.35Å; C554-C566 HydrophobicContact CB-CB 3.78Å; C554-C566 WeakPolarHBondContact CB-SG 3.37Å; C554-C566 WeakPolarHBondContact SG-CB 3.22Å; C554-C566 CovalentContact SG-SG 2.01Å; C554-C566 PolarHBondContact SG-SG 3.34Å; W557-C566 HydrophobicContact CD2-CB 4.37Å; W557-C566 HydrophobicContact CE3-CB 4.03Å; W557-C566 HydrophobicContact CH2-CB 4.18Å; W557-C566 HydrophobicContact CZ3-CB 3.92Å; C566-F568 PolarHBondContact SG-O 3.48Å; C566-Y569 HydrophobicContact CB-CD1 4.45Å; C566-Y569 HydrophobicContact CB-CE1 3.61Å; C566-Y569 HydrophobicContact CB-CE2 4.3Å; C566-Y569 WeakPolarHBondContact CB-OH 3.33Å; C566-Y569 VanDerWaalsContact SG-CD1 3.58Å; C566-Y569 WeakPolarHBondContact SG-CE1 3.44Å
567Q85.6Confident85.6Confident33 Ų3342.1 Ų42.115%0.15422%0.218CC..EExtended strand (participates in β ladder)trans-108.3-25.7176.7-65.1-70.615.700113.2F432 Y556 Q558F432-Q567 HydrophobicContact CB-CG 3.86Å; F432-Q567 HydrophobicContact CD1-CB 4.2Å; F432-Q567 HydrophobicContact CD1-CG 4.09Å; F432-Q567 HydrophobicContact CD2-CB 3.76Å; F432-Q567 HydrophobicContact CD2-CG 3.96Å; F432-Q567 HydrophobicContact CE1-CB 4.33Å; F432-Q567 HydrophobicContact CE2-CB 3.91Å; F432-Q567 HydrophobicContact CG-CB 3.92Å; F432-Q567 HydrophobicContact CG-CG 3.69Å; F432-Q567 HydrophobicContact CZ-CB 4.2Å; Y556-Q567 HydrophobicContact CD1-CB 4.27Å; Y556-Q567 PolarHBondContact O-N 2.73Å; Q558-Q567 HydrophobicContact CB-CG 3.82Å
568F87.2Confident85.9Confident23 Ų2339 Ų3910%0.10121%0.205CC..EExtended strand (participates in β ladder)trans-135.4128.5-178.6-165.7-111.3000110.9L401 V403 V406 N407 M555 Y556 C566L401-F568 HydrophobicContact CB-CE2 4.21Å; L401-F568 HydrophobicContact CB-CZ 4.31Å; L401-F568 HydrophobicContact CD1-CE2 4.46Å; V403-F568 HydrophobicContact CG2-CD1 4.47Å; V403-F568 HydrophobicContact CG2-CD2 4.21Å; V403-F568 HydrophobicContact CG2-CE1 4.09Å; V403-F568 HydrophobicContact CG2-CE2 3.81Å; V403-F568 HydrophobicContact CG2-CZ 3.74Å; V406-F568 HydrophobicContact CG1-CD1 3.76Å; V406-F568 HydrophobicContact CG1-CE1 4.39Å; N407-F568 HydrophobicContact CB-CE1 4.42Å; M555-F568 HydrophobicContact CB-CD1 3.91Å; M555-F568 HydrophobicContact CG-CD1 4.32Å; M555-F568 PolarHBondContact N-O 3.05Å; M555-F568 HydrophobicContact SD-CD1 3.9Å; M555-F568 HydrophobicContact SD-CE1 3.75Å; Y556-F568 PolarHBondContact N-O 2.72Å; C566-F568 PolarHBondContact SG-O 3.48Å
569Y90.6Very high86.5Confident26 Ų2639.6 Ų39.610%0.10221%0.208CC..EExtended strand (participates in β ladder)trans-116.3148.4-175.3-63.3-82.7000111.3S62 K330 T334 I550 N553 C554 C566 A571S62-Y569 PolarHBondContact OG-OH 3.03Å; K330-Y569 WeakPolarHBondContact CE-OH 3.28Å; K330-Y569 PolarHBondContact NZ-OH 3.37Å; T334-Y569 HydrophobicContact CG2-CD2 4.37Å; T334-Y569 HydrophobicContact CG2-CG 4.33Å; I550-Y569 HydrophobicContact CG2-CD1 3.86Å; I550-Y569 HydrophobicContact CG2-CE1 3.3Å; I550-Y569 WeakPolarHBondContact O-CD1 3.07Å; I550-Y569 WeakPolarHBondContact O-CE1 3.34Å; N553-Y569 WeakPolarHBondContact O-CA 3.33Å; C554-Y569 HydrophobicContact CB-CD1 4.31Å; C554-Y569 HydrophobicContact CB-CE1 4.33Å; C566-Y569 HydrophobicContact CB-CD1 4.45Å; C566-Y569 HydrophobicContact CB-CE1 3.61Å; C566-Y569 HydrophobicContact CB-CE2 4.3Å; C566-Y569 WeakPolarHBondContact CB-OH 3.33Å; C566-Y569 VanDerWaalsContact SG-CD1 3.58Å; C566-Y569 WeakPolarHBondContact SG-CE1 3.44Å; Y569-A571 PolarHBondContact O-N 3.22Å; Y569-A571 VanDerWaalsContact O-N 3.1Å
570N92.1Very high87.4Confident43 Ų4340.4 Ų40.423%0.2321%0.209CC..  trans-78.293.9171.2-171.9-32.6000110N553 M555 S572 N573 L574N553-N570 PolarHBondContact O-N 3.1Å; M555-N570 HydrophobicContact CG-CB 3.81Å; M555-N570 HydrophobicContact SD-CB 3.79Å; N570-S572 PolarHBondContact O-N 2.95Å; N570-S572 WeakPolarHBondContact OD1-CB 3.34Å; N570-S572 PolarHBondContact OD1-N 3.07Å; N570-S572 VanDerWaalsContact OD1-N 3.13Å; N570-N573 HydrophobicContact CB-CB 4.46Å; N570-N573 PolarHBondContact ND2-ND2 3.22Å; N570-N573 PolarHBondContact O-N 3.12Å; N570-N573 PolarHBondContact OD1-N 3.02Å; N570-N573 VanDerWaalsContact OD1-N 3.16Å; N570-L574 VanDerWaalsContact O-CB 3.26Å; N570-L574 WeakPolarHBondContact O-CB 3.21Å; N570-L574 PolarHBondContact O-N 2.96Å
571A91.4Very high88.5Confident18 Ų1840.2 Ų40.215%0.14921%0.206CC..Hα-helixtrans-58.3-31.7-179.100000113.8T334 L335 Y569 G575T334-A571 HydrophobicContact CG2-CB 4.39Å; L335-A571 HydrophobicContact CD2-CB 4.22Å; L335-A571 WeakPolarHBondContact CD2-O 3.22Å; Y569-A571 PolarHBondContact O-N 3.22Å; Y569-A571 VanDerWaalsContact O-N 3.1Å; A571-G575 PolarHBondContact O-N 3.09Å
572S92Very high89.8Confident29 Ų2936.5 Ų36.520%0.20318%0.181CC..Hα-helixtrans-67.5-55.1-179.6-179.70000111.4R397 N570 L574 G575 W576R397-S572 VanDerWaalsContact CZ-CB 3.5Å; R397-S572 PolarHBondContact NH2-OG 2.89Å; R397-S572 VanDerWaalsContact NH2-OG 3.09Å; N570-S572 PolarHBondContact O-N 2.95Å; N570-S572 WeakPolarHBondContact OD1-CB 3.34Å; N570-S572 PolarHBondContact OD1-N 3.07Å; N570-S572 VanDerWaalsContact OD1-N 3.13Å; S572-L574 VanDerWaalsContact C-N 3.27Å; S572-L574 PolarHBondContact O-N 3.35Å; S572-G575 PolarHBondContact O-N 3.47Å; S572-W576 PolarHBondContact O-N 3.26Å; S572-W576 VanDerWaalsContact O-N 3.15Å
573N93.3Very high91.1Very high82 Ų8237.4 Ų37.444%0.43918%0.183SC..Hα-helixtrans-66.8-35.4-178.4-68.8-2.2000111.1N553 N570 W576 A577N553-N573 WeakPolarHBondContact OD1-CB 3.15Å; N570-N573 HydrophobicContact CB-CB 4.46Å; N570-N573 PolarHBondContact ND2-ND2 3.22Å; N570-N573 PolarHBondContact O-N 3.12Å; N570-N573 PolarHBondContact OD1-N 3.02Å; N570-N573 VanDerWaalsContact OD1-N 3.16Å; N573-W576 PolarHBondContact O-N 3.37Å; N573-A577 WeakPolarHBondContact O-CB 3.34Å; N573-A577 PolarHBondContact O-N 3.43Å
574L93.8Very high92.2Very high1 Ų138.7 Ų38.71%0.00520%0.195CC..Hα-helixtrans-59.8-50.4174.3-171.767.8000111.9L331 T334 I549 I550 N553 N570 S572 W576 A577 F578L331-L574 HydrophobicContact CD1-CD2 3.83Å; L331-L574 HydrophobicContact CD1-CG 4.14Å; T334-L574 HydrophobicContact CG2-CD2 3.67Å; I549-L574 HydrophobicContact CG2-CD1 4.2Å; I550-L574 HydrophobicContact CB-CD1 4.43Å; I550-L574 HydrophobicContact CG1-CD1 3.9Å; N553-L574 HydrophobicContact CB-CB 4.35Å; N553-L574 HydrophobicContact CB-CD1 4.26Å; N570-L574 VanDerWaalsContact O-CB 3.26Å; N570-L574 WeakPolarHBondContact O-CB 3.21Å; N570-L574 PolarHBondContact O-N 2.96Å; S572-L574 VanDerWaalsContact C-N 3.27Å; S572-L574 PolarHBondContact O-N 3.35Å; L574-W576 VanDerWaalsContact C-N 3.35Å; L574-W576 PolarHBondContact O-N 3.28Å; L574-A577 PolarHBondContact O-N 2.87Å; L574-F578 HydrophobicContact CD1-CD2 3.93Å; L574-F578 HydrophobicContact CD1-CE2 3.41Å; L574-F578 VanDerWaalsContact CD1-CE2 3.41Å; L574-F578 HydrophobicContact CD1-CZ 4.33Å; L574-F578 HydrophobicContact CG-CD2 4.24Å; L574-F578 HydrophobicContact CG-CE2 4.06Å; L574-F578 VanDerWaalsContact O-CD2 3.24Å; L574-F578 WeakPolarHBondContact O-CD2 3.11Å; L574-F578 PolarHBondContact O-N 2.61Å; L574-F578 VanDerWaalsContact O-N 3.11Å
575G94.1Very high92.8Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-58.8-43.7178.300000113L394 A571 S572 F579L394-G575 WeakPolarHBondContact O-CA 3.42Å; A571-G575 PolarHBondContact O-N 3.09Å; S572-G575 PolarHBondContact O-N 3.47Å; G575-F579 VanDerWaalsContact O-CB 3.31Å; G575-F579 WeakPolarHBondContact O-CB 3.08Å; G575-F579 PolarHBondContact O-N 3.03Å
576W95.5Very high93.3Very high94 Ų9435.1 Ų35.136%0.35618%0.179SC..Hα-helixtrans-63.9-44.5175.6-80.8113.8000113.1L395 S572 N573 L574 F578 F579 Y580L395-W576 HydrophobicContact CD1-CE3 4.29Å; L395-W576 HydrophobicContact CD1-CH2 3.84Å; L395-W576 HydrophobicContact CD1-CZ2 4.31Å; L395-W576 HydrophobicContact CD1-CZ3 3.83Å; L395-W576 HydrophobicContact CD2-CD2 3.53Å; L395-W576 HydrophobicContact CD2-CE3 3.53Å; L395-W576 HydrophobicContact CD2-CG 4Å; L395-W576 HydrophobicContact CD2-CH2 4.33Å; L395-W576 HydrophobicContact CD2-CZ2 4.33Å; L395-W576 HydrophobicContact CD2-CZ3 3.95Å; S572-W576 PolarHBondContact O-N 3.26Å; S572-W576 VanDerWaalsContact O-N 3.15Å; N573-W576 PolarHBondContact O-N 3.37Å; L574-W576 VanDerWaalsContact C-N 3.35Å; L574-W576 PolarHBondContact O-N 3.28Å; W576-F578 PolarHBondContact O-N 3.29Å; W576-F579 AromaticContact CE3-CD1 3.99Å; W576-F579 HydrophobicContact CE3-CD1 3.99Å; W576-F579 AromaticContact CZ3-CD1 3.95Å; W576-F579 HydrophobicContact CZ3-CD1 3.95Å; W576-F579 HydrophobicContact CZ3-CE1 4.11Å; W576-F579 PolarHBondContact O-N 3.19Å; W576-Y580 HydrophobicContact CB-CD2 4.37Å; W576-Y580 HydrophobicContact CB-CE2 4.1Å; W576-Y580 HydrophobicContact CD2-CE2 4.23Å; W576-Y580 HydrophobicContact CE3-CD2 4.37Å; W576-Y580 AromaticContact CE3-CE1 3.95Å; W576-Y580 HydrophobicContact CE3-CE1 3.95Å; W576-Y580 AromaticContact CE3-CE2 3.58Å; W576-Y580 HydrophobicContact CE3-CE2 3.58Å; W576-Y580 AromaticContact CE3-CZ 3.34Å; W576-Y580 VanDerWaalsContact CE3-OH 3.29Å; W576-Y580 HydrophobicContact CG-CE2 4.48Å; W576-Y580 HydrophobicContact CZ3-CE1 4.01Å; W576-Y580 HydrophobicContact CZ3-CE2 4.35Å; W576-Y580 AromaticContact CZ3-CZ 3.65Å; W576-Y580 VanDerWaalsContact CZ3-OH 3.28Å; W576-Y580 WeakPolarHBondContact CZ3-OH 3.3Å; W576-Y580 WeakPolarHBondContact O-CD2 3.24Å; W576-Y580 PolarHBondContact O-N 2.04Å
577A95.4Very high93.7Very high30 Ų3041.9 Ų41.925%0.24821%0.209CC..Hα-helixtrans-59.6-46.5179.800000111.5I549 N573 L574 F581I549-A577 HydrophobicContact CG2-CB 3.65Å; N573-A577 WeakPolarHBondContact O-CB 3.34Å; N573-A577 PolarHBondContact O-N 3.43Å; L574-A577 PolarHBondContact O-N 2.87Å; A577-F581 VanDerWaalsContact O-CB 3.32Å; A577-F581 WeakPolarHBondContact O-CB 2.91Å; A577-F581 PolarHBondContact O-N 3.31Å
578F94.3Very high94.2Very high1 Ų143.4 Ų43.40%0.00422%0.22CC..Hα-helixtrans-66.6-41.1177.8-80.2-121.4000111.7Y324 L331 L394 F546 I549 I550 L574 W576 F581 T582Y324-F578 HydrophobicContact CD1-CD1 4.46Å; Y324-F578 HydrophobicContact CE1-CD1 4.08Å; L331-F578 HydrophobicContact CD1-CD1 4.46Å; L331-F578 HydrophobicContact CD1-CE1 4.29Å; L331-F578 HydrophobicContact CD1-CZ 4.42Å; L331-F578 HydrophobicContact CD2-CD1 3.94Å; L331-F578 HydrophobicContact CD2-CE1 4.01Å; L394-F578 HydrophobicContact CD1-CB 3.95Å; F546-F578 AromaticContact CD1-CD1 3.86Å; F546-F578 HydrophobicContact CD1-CD1 3.86Å; F546-F578 AromaticContact CD1-CE1 3.16Å; F546-F578 HydrophobicContact CD1-CE1 3.16Å; F546-F578 AromaticContact CD1-CZ 3.59Å; F546-F578 HydrophobicContact CD1-CZ 3.59Å; F546-F578 AromaticContact CE1-CD1 3.49Å; F546-F578 HydrophobicContact CE1-CD1 3.49Å; F546-F578 VanDerWaalsContact CE1-CD1 3.49Å; F546-F578 AromaticContact CE1-CE1 3.31Å; F546-F578 HydrophobicContact CE1-CE1 3.31Å; F546-F578 HydrophobicContact CE1-CG 4.45Å; F546-F578 HydrophobicContact CE1-CZ 4.11Å; F546-F578 HydrophobicContact CG-CE1 4.25Å; F546-F578 HydrophobicContact CG-CZ 4.31Å; F546-F578 HydrophobicContact CZ-CD1 4.41Å; F546-F578 HydrophobicContact CZ-CE1 4.49Å; I549-F578 HydrophobicContact CB-CE2 4.33Å; I549-F578 HydrophobicContact CG2-CD2 3.98Å; I549-F578 HydrophobicContact CG2-CE2 3.68Å; I550-F578 HydrophobicContact CD1-CZ 4.18Å; I550-F578 HydrophobicContact CG1-CE2 4.17Å; I550-F578 HydrophobicContact CG1-CZ 3.95Å; L574-F578 HydrophobicContact CD1-CD2 3.93Å; L574-F578 HydrophobicContact CD1-CE2 3.41Å; L574-F578 VanDerWaalsContact CD1-CE2 3.41Å; L574-F578 HydrophobicContact CD1-CZ 4.33Å; L574-F578 HydrophobicContact CG-CD2 4.24Å; L574-F578 HydrophobicContact CG-CE2 4.06Å; L574-F578 VanDerWaalsContact O-CD2 3.24Å; L574-F578 WeakPolarHBondContact O-CD2 3.11Å; L574-F578 PolarHBondContact O-N 2.61Å; L574-F578 VanDerWaalsContact O-N 3.11Å; W576-F578 PolarHBondContact O-N 3.29Å; F578-F581 PolarHBondContact O-N 3.08Å; F578-T582 WeakPolarHBondContact O-CB 3.5Å; F578-T582 PolarHBondContact O-N 3.23Å; F578-T582 PolarHBondContact O-OG1 2.68Å
579F95.7Very high94.6Very high28 Ų2842.6 Ų42.612%0.12322%0.218CC..Hα-helixtrans-60.5-50.5177.4176.8-112.9000112.3S391 L395 G575 W576 F581 T582 I583S391-F579 WeakPolarHBondContact O-CD2 3.29Å; S391-F579 WeakPolarHBondContact OG-CD2 3.09Å; S391-F579 WeakPolarHBondContact OG-CE2 3.22Å; L395-F579 HydrophobicContact CD1-CD1 3.96Å; L395-F579 HydrophobicContact CD1-CD2 4.48Å; L395-F579 HydrophobicContact CD1-CE1 3.95Å; L395-F579 HydrophobicContact CD1-CG 4.2Å; L395-F579 HydrophobicContact CD1-CZ 4.2Å; L395-F579 HydrophobicContact CD2-CB 3.75Å; L395-F579 HydrophobicContact CD2-CD1 4.02Å; L395-F579 HydrophobicContact CD2-CG 3.93Å; L395-F579 HydrophobicContact CG-CB 4.29Å; L395-F579 HydrophobicContact CG-CD1 4.26Å; L395-F579 HydrophobicContact CG-CD2 4.41Å; L395-F579 HydrophobicContact CG-CG 4.07Å; G575-F579 VanDerWaalsContact O-CB 3.31Å; G575-F579 WeakPolarHBondContact O-CB 3.08Å; G575-F579 PolarHBondContact O-N 3.03Å; W576-F579 AromaticContact CE3-CD1 3.99Å; W576-F579 HydrophobicContact CE3-CD1 3.99Å; W576-F579 AromaticContact CZ3-CD1 3.95Å; W576-F579 HydrophobicContact CZ3-CD1 3.95Å; W576-F579 HydrophobicContact CZ3-CE1 4.11Å; W576-F579 PolarHBondContact O-N 3.19Å; F579-F581 PolarHBondContact O-N 2.91Å; F579-T582 WeakPolarHBondContact O-CB 3.44Å; F579-T582 PolarHBondContact O-N 2.78Å; F579-I583 HydrophobicContact CD1-CD1 3.95Å; F579-I583 HydrophobicContact CD2-CD1 4.21Å; F579-I583 HydrophobicContact CE1-CD1 3.38Å; F579-I583 HydrophobicContact CE2-CD1 3.65Å; F579-I583 HydrophobicContact CE2-CG1 4.23Å; F579-I583 HydrophobicContact CG-CD1 4.36Å; F579-I583 HydrophobicContact CZ-CD1 3.24Å; F579-I583 HydrophobicContact CZ-CG1 4.29Å; F579-I583 PolarHBondContact O-N 3.29Å
580Y95.8Very high94.9Very high141 Ų14142.2 Ų42.255%0.55322%0.222SC*.Hα-helixtrans-63-41.9178.8-69.6-46.5000112.4W576 T582 I583 A584W576-Y580 HydrophobicContact CB-CD2 4.37Å; W576-Y580 HydrophobicContact CB-CE2 4.1Å; W576-Y580 HydrophobicContact CD2-CE2 4.23Å; W576-Y580 HydrophobicContact CE3-CD2 4.37Å; W576-Y580 AromaticContact CE3-CE1 3.95Å; W576-Y580 HydrophobicContact CE3-CE1 3.95Å; W576-Y580 AromaticContact CE3-CE2 3.58Å; W576-Y580 HydrophobicContact CE3-CE2 3.58Å; W576-Y580 AromaticContact CE3-CZ 3.34Å; W576-Y580 VanDerWaalsContact CE3-OH 3.29Å; W576-Y580 HydrophobicContact CG-CE2 4.48Å; W576-Y580 HydrophobicContact CZ3-CE1 4.01Å; W576-Y580 HydrophobicContact CZ3-CE2 4.35Å; W576-Y580 AromaticContact CZ3-CZ 3.65Å; W576-Y580 VanDerWaalsContact CZ3-OH 3.28Å; W576-Y580 WeakPolarHBondContact CZ3-OH 3.3Å; W576-Y580 WeakPolarHBondContact O-CD2 3.24Å; W576-Y580 PolarHBondContact O-N 2.04Å; Y580-T582 VanDerWaalsContact C-N 3.27Å; Y580-T582 PolarHBondContact O-N 3.46Å; Y580-I583 PolarHBondContact O-N 2.83Å; Y580-A584 WeakPolarHBondContact O-CB 3.49Å; Y580-A584 PolarHBondContact O-N 3.38Å
581F94.7Very high95.2Very high43 Ų4344 Ų4419%0.18923%0.231CC..Hα-helixtrans-58.3-42.6175.3-171.5-91.2000111.5M319 L320 V545 F546 A577 F578 F579 A584 V585M319-F581 HydrophobicContact CE-CE1 4.1Å; M319-F581 HydrophobicContact CE-CE2 4.24Å; M319-F581 HydrophobicContact CE-CZ 3.45Å; M319-F581 VanDerWaalsContact CE-CZ 3.45Å; M319-F581 HydrophobicContact CG-CZ 4.09Å; M319-F581 HydrophobicContact SD-CZ 3.83Å; L320-F581 HydrophobicContact CD1-CD1 3.98Å; L320-F581 HydrophobicContact CD1-CE1 4.26Å; V545-F581 HydrophobicContact CG1-CE2 4.22Å; F546-F581 AromaticContact CE2-CD1 3.68Å; F546-F581 HydrophobicContact CE2-CD1 3.68Å; F546-F581 AromaticContact CE2-CE1 3.44Å; F546-F581 HydrophobicContact CE2-CE1 3.44Å; F546-F581 VanDerWaalsContact CE2-CE1 3.44Å; F546-F581 HydrophobicContact CE2-CG 4.45Å; F546-F581 HydrophobicContact CE2-CZ 4.01Å; F546-F581 AromaticContact CZ-CD1 3.84Å; F546-F581 HydrophobicContact CZ-CD1 3.84Å; F546-F581 AromaticContact CZ-CE1 3.97Å; F546-F581 HydrophobicContact CZ-CE1 3.97Å; A577-F581 VanDerWaalsContact O-CB 3.32Å; A577-F581 WeakPolarHBondContact O-CB 2.91Å; A577-F581 PolarHBondContact O-N 3.31Å; F578-F581 PolarHBondContact O-N 3.08Å; F579-F581 PolarHBondContact O-N 2.91Å; F581-A584 PolarHBondContact O-N 2.91Å; F581-V585 HydrophobicContact CD1-CG2 4.09Å; F581-V585 HydrophobicContact CE1-CG2 3.73Å; F581-V585 HydrophobicContact CZ-CG2 4.2Å; F581-V585 WeakPolarHBondContact O-CG2 3.35Å; F581-V585 PolarHBondContact O-N 3.07Å
582T95.2Very high95.4Very high1 Ų144.5 Ų44.51%0.00623%0.231CC..Hα-helixtrans-64.5-46179.3-53.80000112.2L320 Y324 F578 F579 Y580 A584 V585 K586L320-T582 HydrophobicContact CD1-CG2 4.21Å; L320-T582 HydrophobicContact CD2-CG2 4.03Å; Y324-T582 PolarHBondContact OH-OG1 3.13Å; F578-T582 WeakPolarHBondContact O-CB 3.5Å; F578-T582 PolarHBondContact O-N 3.23Å; F578-T582 PolarHBondContact O-OG1 2.68Å; F579-T582 WeakPolarHBondContact O-CB 3.44Å; F579-T582 PolarHBondContact O-N 2.78Å; Y580-T582 VanDerWaalsContact C-N 3.27Å; Y580-T582 PolarHBondContact O-N 3.46Å; T582-A584 VanDerWaalsContact C-N 3.33Å; T582-A584 PolarHBondContact O-N 2.88Å; T582-V585 PolarHBondContact O-N 3.34Å; T582-K586 HydrophobicContact CG2-CG 4.33Å; T582-K586 WeakPolarHBondContact O-CB 3.34Å; T582-K586 VanDerWaalsContact O-CG 3.28Å; T582-K586 WeakPolarHBondContact O-CG 3.29Å; T582-K586 PolarHBondContact O-N 3.25Å
583I96.6Very high95.6Very high64 Ų6443.3 Ų43.333%0.32822%0.222SC..Hα-helixtrans-59.7-46.8176.4-71.8174.8000110.2F579 Y580 V585 K586 F587F579-I583 HydrophobicContact CD1-CD1 3.95Å; F579-I583 HydrophobicContact CD2-CD1 4.21Å; F579-I583 HydrophobicContact CE1-CD1 3.38Å; F579-I583 HydrophobicContact CE2-CD1 3.65Å; F579-I583 HydrophobicContact CE2-CG1 4.23Å; F579-I583 HydrophobicContact CG-CD1 4.36Å; F579-I583 HydrophobicContact CZ-CD1 3.24Å; F579-I583 HydrophobicContact CZ-CG1 4.29Å; F579-I583 PolarHBondContact O-N 3.29Å; Y580-I583 PolarHBondContact O-N 2.83Å; I583-V585 PolarHBondContact O-N 2.92Å; I583-K586 PolarHBondContact O-N 2.84Å; I583-F587 VanDerWaalsContact O-CB 3.22Å; I583-F587 WeakPolarHBondContact O-CB 2.9Å; I583-F587 PolarHBondContact O-N 2.86Å
584A96.1Very high95.8Very high53 Ų5344.4 Ų44.444%0.43822%0.223SC..Hα-helixtrans-60.4-44.4-179.400000112Y580 F581 T582 T588Y580-A584 WeakPolarHBondContact O-CB 3.49Å; Y580-A584 PolarHBondContact O-N 3.38Å; F581-A584 PolarHBondContact O-N 2.91Å; T582-A584 VanDerWaalsContact C-N 3.33Å; T582-A584 PolarHBondContact O-N 2.88Å; A584-T588 WeakPolarHBondContact O-CB 3.41Å; A584-T588 PolarHBondContact O-N 2.92Å; A584-T588 PolarHBondContact O-OG1 2.67Å
585V95.4Very high95.9Very high8 Ų847.9 Ų47.95%0.04824%0.241CC..Hα-helixtrans-64.5-48.6176.8170.60000111.2I316 M319 L320 F581 T582 I583 F587 T588 G589I316-V585 HydrophobicContact CB-CG1 4.22Å; I316-V585 HydrophobicContact CG1-CG1 4.33Å; I316-V585 VanDerWaalsContact O-CG1 3.28Å; I316-V585 WeakPolarHBondContact O-CG1 3.43Å; M319-V585 HydrophobicContact CE-CG2 3.86Å; L320-V585 HydrophobicContact CB-CG1 4.01Å; L320-V585 HydrophobicContact CD2-CB 4.48Å; L320-V585 HydrophobicContact CD2-CG1 4.15Å; F581-V585 HydrophobicContact CD1-CG2 4.09Å; F581-V585 HydrophobicContact CE1-CG2 3.73Å; F581-V585 HydrophobicContact CZ-CG2 4.2Å; F581-V585 WeakPolarHBondContact O-CG2 3.35Å; F581-V585 PolarHBondContact O-N 3.07Å; T582-V585 PolarHBondContact O-N 3.34Å; I583-V585 PolarHBondContact O-N 2.92Å; V585-F587 PolarHBondContact O-N 3.33Å; V585-T588 PolarHBondContact O-N 3.11Å; V585-G589 PolarHBondContact O-N 2.79Å
586K95.6Very high95.9Very high18 Ų1847.9 Ų47.98%0.07824%0.241CC..Hα-helixtrans-64.3-40.3-178.5-70.3-66179.7-171.60112.5E317 A388 T582 I583 G589 G590E317-K586 IonicContact OE1-NZ 3.73Å; E317-K586 PolarHBondContact OE1-NZ 3.39Å; E317-K586 IonicContact OE2-NZ 3.73Å; E317-K586 PolarHBondContact OE2-NZ 3.45Å; A388-K586 HydrophobicContact CB-CB 3.92Å; A388-K586 HydrophobicContact CB-CG 4.21Å; T582-K586 HydrophobicContact CG2-CG 4.33Å; T582-K586 WeakPolarHBondContact O-CB 3.34Å; T582-K586 VanDerWaalsContact O-CG 3.28Å; T582-K586 WeakPolarHBondContact O-CG 3.29Å; T582-K586 PolarHBondContact O-N 3.25Å; I583-K586 PolarHBondContact O-N 2.84Å; K586-G589 PolarHBondContact O-N 3.44Å; K586-G590 PolarHBondContact O-N 2.64Å
587F96.5Very high95.8Very high144 Ų14443.4 Ų43.463%0.63223%0.225SC*.Hα-helixtrans-62.9-49175.8-178.1-104.7000111.5I583 V585 G589 G590 I591I583-F587 VanDerWaalsContact O-CB 3.22Å; I583-F587 WeakPolarHBondContact O-CB 2.9Å; I583-F587 PolarHBondContact O-N 2.86Å; V585-F587 PolarHBondContact O-N 3.33Å; F587-G589 VanDerWaalsContact C-N 3.32Å; F587-G589 PolarHBondContact O-N 3.31Å; F587-G590 PolarHBondContact O-N 2.99Å; F587-I591 HydrophobicContact CD1-CD1 3.91Å; F587-I591 HydrophobicContact CE1-CD1 3.46Å; F587-I591 VanDerWaalsContact CE1-CD1 3.46Å; F587-I591 HydrophobicContact CZ-CD1 3.83Å; F587-I591 PolarHBondContact O-N 3.32Å; F587-I591 VanDerWaalsContact O-N 3.12Å
588T96.8Very high95.7Very high65 Ų6550.4 Ų50.440%0.39925%0.246SC..Hα-helixtrans-61.7-40.7177.4-53.70000111.6I316 A584 V585 I591 L592I316-T588 HydrophobicContact CD1-CG2 3.83Å; A584-T588 WeakPolarHBondContact O-CB 3.41Å; A584-T588 PolarHBondContact O-N 2.92Å; A584-T588 PolarHBondContact O-OG1 2.67Å; V585-T588 PolarHBondContact O-N 3.11Å; T588-I591 PolarHBondContact O-N 3.02Å; T588-L592 HydrophobicContact CG2-CD1 4.37Å; T588-L592 WeakPolarHBondContact O-CG 3.45Å; T588-L592 PolarHBondContact O-N 3.22Å
589G96.5Very high95.6Very high5 Ų552.3 Ų52.35%0.05226%0.259CS..Hα-helixtrans-63.8-38.9175.700000113.4I316 V585 K586 F587 L592 L593I316-G589 VanDerWaalsContact CD1-N 3.33Å; V585-G589 PolarHBondContact O-N 2.79Å; K586-G589 PolarHBondContact O-N 3.44Å; F587-G589 VanDerWaalsContact C-N 3.32Å; F587-G589 PolarHBondContact O-N 3.31Å; G589-L592 PolarHBondContact O-N 3.44Å; G589-L593 WeakPolarHBondContact O-CB 3.02Å; G589-L593 WeakPolarHBondContact O-CG 3.32Å; G589-L593 PolarHBondContact O-N 3.09Å
590G96.8Very high95.3Very high18 Ų1852 Ų5219%0.18626%0.257CS..Hα-helixtrans-59.7-44.9172.900000112.6K586 F587 L593 F594K586-G590 PolarHBondContact O-N 2.64Å; F587-G590 PolarHBondContact O-N 2.99Å; G590-L593 PolarHBondContact O-N 2.96Å; G590-F594 WeakPolarHBondContact O-CB 3.23Å; G590-F594 PolarHBondContact O-N 3.42Å
591I97.4Very high94.8Very high81 Ų8152.2 Ų52.242%0.41526%0.263SS..Hα-helixtrans-62.3-47.6176.9-65.7168.9000110.9F587 T588 L593 F594 L595F587-I591 HydrophobicContact CD1-CD1 3.91Å; F587-I591 HydrophobicContact CE1-CD1 3.46Å; F587-I591 VanDerWaalsContact CE1-CD1 3.46Å; F587-I591 HydrophobicContact CZ-CD1 3.83Å; F587-I591 PolarHBondContact O-N 3.32Å; F587-I591 VanDerWaalsContact O-N 3.12Å; T588-I591 PolarHBondContact O-N 3.02Å; I591-L593 VanDerWaalsContact C-N 3.34Å; I591-L593 PolarHBondContact O-N 2.88Å; I591-F594 WeakPolarHBondContact O-CB 2.95Å; I591-F594 PolarHBondContact O-N 3.02Å; I591-L595 HydrophobicContact CG2-CD1 4.12Å; I591-L595 HydrophobicContact CG2-CG 4.47Å; I591-L595 WeakPolarHBondContact O-CG 3.45Å; I591-L595 PolarHBondContact O-N 3.19Å
592L97Very high94Very high28 Ų2854.9 Ų54.915%0.14728%0.276CS..Hα-helixtrans-62.1-40.6179.7-71.4172.3000112.2C309 L312 M313 I316 T588 G589 L595 A596C309-L592 WeakPolarHBondContact CB-O 3.42Å; L312-L592 HydrophobicContact CB-CD1 3.9Å; L312-L592 HydrophobicContact CB-CD2 4.43Å; M313-L592 HydrophobicContact CB-CB 3.92Å; M313-L592 HydrophobicContact CB-CD1 4.14Å; I316-L592 HydrophobicContact CD1-CD1 3.83Å; T588-L592 HydrophobicContact CG2-CD1 4.37Å; T588-L592 WeakPolarHBondContact O-CG 3.45Å; T588-L592 PolarHBondContact O-N 3.22Å; G589-L592 PolarHBondContact O-N 3.44Å; L592-L595 PolarHBondContact O-N 2.01Å; L592-A596 WeakPolarHBondContact O-CB 3.38Å; L592-A596 PolarHBondContact O-N 3.38Å
593L96.2Very high92.8Very high4 Ų455.6 Ų55.62%0.02128%0.282CS..Hα-helixtrans-66.4-38.2175.4-80.7174000112.8M313 M377 V380 I381 L510 G589 G590 I591 A596 A597M313-L593 HydrophobicContact CB-CG 4.49Å; M313-L593 HydrophobicContact CE-CD1 3.77Å; M313-L593 HydrophobicContact CE-CD2 3.39Å; M313-L593 HydrophobicContact CE-CG 3.65Å; M313-L593 HydrophobicContact CG-CD1 4.21Å; M313-L593 HydrophobicContact CG-CG 3.92Å; M313-L593 HydrophobicContact SD-CD1 4.14Å; M313-L593 HydrophobicContact SD-CG 4.3Å; M377-L593 HydrophobicContact CG-CD2 4.48Å; M377-L593 HydrophobicContact SD-CD2 3.44Å; M377-L593 WeakPolarHBondContact SD-CD2 3.48Å; V380-L593 HydrophobicContact CB-CD1 3.96Å; V380-L593 HydrophobicContact CG1-CD1 3.46Å; V380-L593 VanDerWaalsContact CG1-CD1 3.46Å; I381-L593 HydrophobicContact CD1-CB 3.84Å; I381-L593 HydrophobicContact CG1-CB 3.69Å; I381-L593 HydrophobicContact CG1-CD1 4.1Å; L510-L593 HydrophobicContact CD1-CD2 4.33Å; G589-L593 WeakPolarHBondContact O-CB 3.02Å; G589-L593 WeakPolarHBondContact O-CG 3.32Å; G589-L593 PolarHBondContact O-N 3.09Å; G590-L593 PolarHBondContact O-N 2.96Å; I591-L593 VanDerWaalsContact C-N 3.34Å; I591-L593 PolarHBondContact O-N 2.88Å; L593-A596 PolarHBondContact O-N 3.26Å; L593-A597 WeakPolarHBondContact O-CB 3.05Å; L593-A597 PolarHBondContact O-N 3.03Å
594F96.4Very high91Very high105 Ų10559.6 Ų59.646%0.46130%0.303SS..Hα-helixtrans-62.7-45.4174.5-177.5-95.1000111Y378 I381 G590 I591 A596 A597 Y598Y378-F594 HydrophobicContact CE1-CD2 4.17Å; Y378-F594 HydrophobicContact CE1-CE2 4.36Å; I381-F594 HydrophobicContact CD1-CB 4.19Å; G590-F594 WeakPolarHBondContact O-CB 3.23Å; G590-F594 PolarHBondContact O-N 3.42Å; I591-F594 WeakPolarHBondContact O-CB 2.95Å; I591-F594 PolarHBondContact O-N 3.02Å; F594-A596 PolarHBondContact O-N 3.38Å; F594-A597 PolarHBondContact O-N 3.43Å; F594-Y598 WeakPolarHBondContact O-CB 3.38Å; F594-Y598 PolarHBondContact O-N 3.43Å
595L95.9Very high89Confident74 Ų7463.9 Ų63.939%0.38731%0.312SS..Hα-helixtrans-63-39.2175-68.8174.9000112.5I591 L592 Y598 C599I591-L595 HydrophobicContact CG2-CD1 4.12Å; I591-L595 HydrophobicContact CG2-CG 4.47Å; I591-L595 WeakPolarHBondContact O-CG 3.45Å; I591-L595 PolarHBondContact O-N 3.19Å; L592-L595 PolarHBondContact O-N 2.01Å; L595-Y598 PolarHBondContact O-N 3.01Å; L595-C599 WeakPolarHBondContact O-CB 3.39Å; L595-C599 PolarHBondContact O-N 2.85Å; L595-C599 PolarHBondContact O-SG 3.45Å
596A94.2Very high86.5Confident0 Ų066.6 Ų66.60%033%0.331CS..Hα-helixtrans-61.8-46.7174.400000111.4T306 C309 V310 L592 L593 F594 Y598 C599 Y600T306-A596 HydrophobicContact CG2-CB 4.32Å; C309-A596 HydrophobicContact CB-CB 3.72Å; V310-A596 HydrophobicContact CG2-CB 3.87Å; L592-A596 WeakPolarHBondContact O-CB 3.38Å; L592-A596 PolarHBondContact O-N 3.38Å; L593-A596 PolarHBondContact O-N 3.26Å; F594-A596 PolarHBondContact O-N 3.38Å; A596-Y598 VanDerWaalsContact C-N 3.28Å; A596-Y598 PolarHBondContact O-N 3.42Å; A596-C599 PolarHBondContact O-N 3.31Å; A596-Y600 WeakPolarHBondContact O-CB 3.32Å; A596-Y600 PolarHBondContact O-N 3.35Å; A596-Y600 VanDerWaalsContact O-N 3.16Å
597A93.9Very high83.6Confident1 Ų171.5 Ų71.51%0.00836%0.359CS..Hα-helixtrans-63.4-35.2177.200000112.3K374 M377 L593 F594K374-A597 WeakPolarHBondContact CE-O 3.4Å; M377-A597 HydrophobicContact CB-CB 3.94Å; M377-A597 HydrophobicContact CG-CB 4.14Å; L593-A597 WeakPolarHBondContact O-CB 3.05Å; L593-A597 PolarHBondContact O-N 3.03Å; F594-A597 PolarHBondContact O-N 3.43Å
598Y93.6Very high80.6Confident176 Ų17667 Ų6769%0.6935%0.352SS*.Hα-helixtrans-70.5-43.4177.2-176.4-99.4000112.7F594 L595 A596 Y600F594-Y598 WeakPolarHBondContact O-CB 3.38Å; F594-Y598 PolarHBondContact O-N 3.43Å; L595-Y598 PolarHBondContact O-N 3.01Å; A596-Y598 VanDerWaalsContact C-N 3.28Å; A596-Y598 PolarHBondContact O-N 3.42Å; Y598-Y600 VanDerWaalsContact C-N 3.35Å; Y598-Y600 PolarHBondContact O-N 3.4Å
599C92.1Very high77.8Confident41 Ų4170.2 Ų70.228%0.27736%0.361SS..Hα-helixtrans-78.6-15.2-176.9-64.70000114.3K305 T306 L595 A596 Q601K305-C599 HydrophobicContact CB-CB 4.09Å; T306-C599 PolarHBondContact OG1-O 3.3Å; L595-C599 WeakPolarHBondContact O-CB 3.39Å; L595-C599 PolarHBondContact O-N 2.85Å; L595-C599 PolarHBondContact O-SG 3.45Å; A596-C599 PolarHBondContact O-N 3.31Å; C599-Q601 PolarHBondContact O-N 2.72Å
600Y89.3Confident74.9Confident22 Ų2276.6 Ų76.69%0.08639%0.389CS..  trans-68.5124.8-176.1-178.8-107.9000112.8D280 T306 F373 K374 A596 Y598 E602D280-Y600 HydrophobicContact CB-CE2 4.2Å; T306-Y600 HydrophobicContact CG2-CD2 4.02Å; T306-Y600 HydrophobicContact CG2-CG 4.49Å; T306-Y600 WeakPolarHBondContact OG1-CA 3.47Å; T306-Y600 PolarHBondContact OG1-N 3.2Å; F373-Y600 HydrophobicContact CB-CD1 3.79Å; F373-Y600 HydrophobicContact CB-CE1 3.47Å; F373-Y600 VanDerWaalsContact CB-CE1 3.47Å; F373-Y600 HydrophobicContact CB-CE2 4.29Å; F373-Y600 HydrophobicContact CB-CG 4.3Å; F373-Y600 AromaticContact CD1-CD1 3.69Å; F373-Y600 HydrophobicContact CD1-CD1 3.69Å; F373-Y600 AromaticContact CD1-CD2 3.84Å; F373-Y600 HydrophobicContact CD1-CD2 3.84Å; F373-Y600 HydrophobicContact CD1-CE1 4.22Å; F373-Y600 HydrophobicContact CD1-CE2 4.34Å; F373-Y600 AromaticContact CD1-CG 3.46Å; F373-Y600 HydrophobicContact CD1-CG 3.46Å; F373-Y600 VanDerWaalsContact CD1-CG 3.46Å; F373-Y600 HydrophobicContact CE1-CD2 4.22Å; F373-Y600 HydrophobicContact CE1-CG 4.03Å; F373-Y600 HydrophobicContact CG-CD1 4.05Å; F373-Y600 HydrophobicContact CG-CD2 4.16Å; F373-Y600 HydrophobicContact CG-CE1 4.09Å; F373-Y600 HydrophobicContact CG-CE2 4.19Å; F373-Y600 HydrophobicContact CG-CG 4.06Å; K374-Y600 HydrophobicContact CG-CD1 4.46Å; A596-Y600 WeakPolarHBondContact O-CB 3.32Å; A596-Y600 PolarHBondContact O-N 3.35Å; A596-Y600 VanDerWaalsContact O-N 3.16Å; Y598-Y600 VanDerWaalsContact C-N 3.35Å; Y598-Y600 PolarHBondContact O-N 3.4Å; Y600-E602 HydrophobicContact CD1-CG 4.36Å; Y600-E602 HydrophobicContact CE1-CG 3.5Å; Y600-E602 VanDerWaalsContact CE1-CG 3.5Å
601Q84.2Confident71.7Confident145 Ų14578.9 Ų78.968%0.67840%0.402SS*.  trans-121.8124.8174.1-67.1-178-14.600109.8C599C599-Q601 PolarHBondContact O-N 2.72Å
602E78Confident68.7Low99 Ų9978.6 Ų78.646%0.46341%0.407SS..BIsolated β-bridgetrans-72.2144.5178.3-67.9-177.6-161.700110.7R278 Y600R278-E602 IonicContact NH1-OE2 3.91Å; Y600-E602 HydrophobicContact CD1-CG 4.36Å; Y600-E602 HydrophobicContact CE1-CG 3.5Å; Y600-E602 VanDerWaalsContact CE1-CG 3.5Å
603S69.7Low65.8Low17 Ų1786.5 Ų86.512%0.11944%0.435CS..  trans-77.2131.517356.70000111.8T279 K605T279-S603 VanDerWaalsContact O-CB 3.29Å; T279-S603 WeakPolarHBondContact O-CB 3.05Å; T279-S603 PolarHBondContact O-N 3.4Å; T279-S603 PolarHBondContact O-OG 2.82Å; S603-K605 PolarHBondContact O-N 2.99Å
604D60.2Low63.1Low147 Ų14790.1 Ų90.179%0.78646%0.457SS*.SBendtrans-689.4-174.6-67.8-37.3000115.5S606 N607D604-S606 PolarHBondContact O-N 3.17Å; D604-N607 PolarHBondContact O-N 2.98Å
605K53.1Low60.3Low144 Ų14490.1 Ų90.163%0.62646%0.461SS*.G310 helixtrans-66.60.8-175.8-74.1-172.2173.81760114.8D284 S603 N607D284-K605 IonicContact OD1-NZ 3.27Å; D284-K605 WeakPolarHBondContact OD2-CD 3.27Å; D284-K605 WeakPolarHBondContact OD2-CE 3.02Å; D284-K605 IonicContact OD2-NZ 3.63Å; D284-K605 PolarHBondContact OD2-NZ 2.9Å; S603-K605 PolarHBondContact O-N 2.99Å; K605-N607 VanDerWaalsContact C-N 3.27Å; K605-N607 PolarHBondContact O-N 3.27Å
606S43.9Very low57.6Low64 Ų6493 Ų9345%0.44847%0.473SS..G310 helixtrans-67.5-22.2173.2-155.80000113.5R278 D604 G608R278-S606 PolarHBondContact NH2-OG 3.44Å; D604-S606 PolarHBondContact O-N 3.17Å; S606-G608 PolarHBondContact O-N 2.8Å
607N33.2Very low55.1Low122 Ų12296.6 Ų96.665%0.65249%0.494SS*.G310 helixtrans-83.9-6.5-177.7-72.31000114.5D604 K605D604-N607 PolarHBondContact O-N 2.98Å; K605-N607 VanDerWaalsContact C-N 3.27Å; K605-N607 PolarHBondContact O-N 3.27Å
608G33.6Very low52.5Low48 Ų48101.8 Ų101.850%0.49552%0.522SS..Hα-helixtrans-80.4-19.1178.600000115S606S606-G608 PolarHBondContact O-N 2.8Å
609K38Very low50Low134 Ų13497.1 Ų97.158%0.58351%0.512SS*.Hα-helixtrans-95.3-15.9-179.4-77.3-173.5175.8-176.40114.2R613K609-R613 PolarHBondContact O-N 3.39Å
610E35.7Very low47.6Very low139 Ų13997.5 Ų97.565%0.6552%0.515SS*.Hα-helixtrans-74.3-36.4165.4-85.6176.9164.300111.1C612 R613 T614E610-C612 PolarHBondContact O-N 2.64Å; E610-R613 PolarHBondContact O-N 3.47Å; E610-T614 PolarHBondContact O-N 3.16Å; E610-T614 VanDerWaalsContact O-N 3.07Å; E610-T614 PolarHBondContact O-OG1 2.98Å
611S30.5Very low45.2Very low66 Ų66102 Ų10246%0.46254%0.537SS..Hα-helixtrans-64.8-34.8176.1-167.40000113.4T614 L615S611-T614 PolarHBondContact O-OG1 3.42Å; S611-T614 VanDerWaalsContact O-OG1 3.07Å; S611-L615 WeakPolarHBondContact O-CD1 3.42Å; S611-L615 WeakPolarHBondContact O-CG 3.41Å; S611-L615 PolarHBondContact O-N 2.81Å
612C34.4Very low43.1Very low74 Ų7498 Ų9850%0.553%0.525SS..Hα-helixtrans-74.6-30172.8-80.40000113.6E610 L615 E616E610-C612 PolarHBondContact O-N 2.64Å; C612-L615 PolarHBondContact O-N 2.96Å; C612-E616 WeakPolarHBondContact O-CB 3.24Å; C612-E616 PolarHBondContact O-N 3.46Å
613R36.7Very low41.3Very low195 Ų19597.2 Ų97.274%0.73653%0.527SS*.Hα-helixtrans-74.7-29.3176.6-85.4-176.8178.4167.4-1.9113.2K609 E610 T617K609-R613 PolarHBondContact O-N 3.39Å; E610-R613 PolarHBondContact O-N 3.47Å; R613-T617 PolarHBondContact O-N 3.39Å; R613-T617 PolarHBondContact O-OG1 3.4Å
614T38Very low39.9Very low80 Ų80103 Ų10349%0.49155%0.55SS..Hα-helixtrans-75.6-31.9171.143.40000112.4E610 S611 T617 D618E610-T614 PolarHBondContact O-N 3.16Å; E610-T614 VanDerWaalsContact O-N 3.07Å; E610-T614 PolarHBondContact O-OG1 2.98Å; S611-T614 PolarHBondContact O-OG1 3.42Å; S611-T614 VanDerWaalsContact O-OG1 3.07Å; T614-T617 WeakPolarHBondContact CA-OG1 3.01Å; T614-T617 PolarHBondContact O-OG1 3.36Å; T614-D618 PolarHBondContact O-N 3.02Å
615L37.9Very low38.9Very low104 Ų104102 Ų10255%0.54554%0.542SS..Hα-helixtrans-76.4-32.4175.6-78.7160.5000113.4S611 C612 T619S611-L615 WeakPolarHBondContact O-CD1 3.42Å; S611-L615 WeakPolarHBondContact O-CG 3.41Å; S611-L615 PolarHBondContact O-N 2.81Å; C612-L615 PolarHBondContact O-N 2.96Å; L615-T619 WeakPolarHBondContact O-CB 3.47Å; L615-T619 PolarHBondContact O-N 2.02Å; L615-T619 VanDerWaalsContact O-N 3.1Å; L615-T619 PolarHBondContact O-OG1 3.26Å
616E39.1Very low38.2Very low135 Ų13598.9 Ų98.963%0.63154%0.538SS*.Hα-helixtrans-78.9-20174.4-78179.5150.500113.4C612 S620C612-E616 WeakPolarHBondContact O-CB 3.24Å; C612-E616 PolarHBondContact O-N 3.46Å; E616-S620 WeakPolarHBondContact O-CB 3.03Å; E616-S620 PolarHBondContact O-N 2.03Å; E616-S620 VanDerWaalsContact O-N 3.09Å; E616-S620 PolarHBondContact O-OG 2.85Å
617T41.3Very low37.9Very low75 Ų75104 Ų10446%0.4655%0.549SS..Hα-helixtrans-80.5-40.317134.30000111.7R613 T614 E621R613-T617 PolarHBondContact O-N 3.39Å; R613-T617 PolarHBondContact O-OG1 3.4Å; T614-T617 WeakPolarHBondContact CA-OG1 3.01Å; T614-T617 PolarHBondContact O-OG1 3.36Å; T617-E621 WeakPolarHBondContact O-CB 3.05Å; T617-E621 WeakPolarHBondContact O-CG 3.48Å; T617-E621 PolarHBondContact O-N 3.31Å
618D39.9Very low38.1Very low110 Ų110106.1 Ų106.159%0.58856%0.555SS**Hα-helixtrans-71.8-30.1175.5-78.2-26.6000113.8T614 S622T614-D618 PolarHBondContact O-N 3.02Å; D618-S622 WeakPolarHBondContact O-CB 3.4Å; D618-S622 PolarHBondContact O-N 2.7Å; D618-S622 PolarHBondContact O-OG 3.32Å
619T42.1Very low38.4Very low78 Ų78112.5 Ų112.548%0.47957%0.569SS.*Hα-helixtrans-85-28.4174.550.20000113.5L615 S622 V623L615-T619 WeakPolarHBondContact O-CB 3.47Å; L615-T619 PolarHBondContact O-N 2.02Å; L615-T619 VanDerWaalsContact O-N 3.1Å; L615-T619 PolarHBondContact O-OG1 3.26Å; T619-S622 WeakPolarHBondContact CA-OG 3.28Å; T619-S622 PolarHBondContact O-OG 3.28Å; T619-V623 WeakPolarHBondContact O-CB 2.95Å; T619-V623 WeakPolarHBondContact O-CG2 3.24Å; T619-V623 PolarHBondContact O-N 3.49Å
620S40.2Very low38.4Very low49 Ų49112.5 Ų112.534%0.34358%0.576SS.*Hα-helixtrans-79-26.7173.670.40000113.1E616 K624E616-S620 WeakPolarHBondContact O-CB 3.03Å; E616-S620 PolarHBondContact O-N 2.03Å; E616-S620 VanDerWaalsContact O-N 3.09Å; E616-S620 PolarHBondContact O-OG 2.85Å; S620-K624 WeakPolarHBondContact O-CB 3.43Å; S620-K624 WeakPolarHBondContact O-CG 2.98Å; S620-K624 PolarHBondContact O-N 3.39Å
621E40.5Very low38.3Very low118 Ų118112.5 Ų112.555%0.55158%0.579SS**Hα-helixtrans-75.5-35.5170.6-75.8-174166.800112.5T617 M625T617-E621 WeakPolarHBondContact O-CB 3.05Å; T617-E621 WeakPolarHBondContact O-CG 3.48Å; T617-E621 PolarHBondContact O-N 3.31Å; E621-M625 HydrophobicContact CB-CE 4.34Å; E621-M625 WeakPolarHBondContact O-CB 3.24Å; E621-M625 WeakPolarHBondContact O-CE 3.36Å; E621-M625 PolarHBondContact O-N 2.03Å
622S39.7Very low38.6Very low60 Ų60114.9 Ų114.942%0.4259%0.593SS.*Hα-helixtrans-76-28.1174.853.70000113.8D618 T619 S626D618-S622 WeakPolarHBondContact O-CB 3.4Å; D618-S622 PolarHBondContact O-N 2.7Å; D618-S622 PolarHBondContact O-OG 3.32Å; T619-S622 WeakPolarHBondContact CA-OG 3.28Å; T619-S622 PolarHBondContact O-OG 3.28Å; S622-S626 PolarHBondContact O-N 3.22Å; S622-S626 PolarHBondContact O-OG 3.04Å
623V40.1Very low38.4Very low83 Ų83117.4 Ų117.450%0.50361%0.611SS.*Hα-helixtrans-81.9-33.2172.4174.80000111.9T619 S626 Y627T619-V623 WeakPolarHBondContact O-CB 2.95Å; T619-V623 WeakPolarHBondContact O-CG2 3.24Å; T619-V623 PolarHBondContact O-N 3.49Å; V623-S626 PolarHBondContact O-N 2.91Å; V623-Y627 HydrophobicContact CG1-CD2 4.2Å; V623-Y627 PolarHBondContact O-N 3.13Å; V623-Y627 VanDerWaalsContact O-N 3.12Å
624K39.7Very low38.3Very low138 Ų138111.2 Ų111.260%0.661%0.608SS**Hα-helixtrans-69.5-38171.4-77.6175.61771800112.5S620 S626 Y627 E628S620-K624 WeakPolarHBondContact O-CB 3.43Å; S620-K624 WeakPolarHBondContact O-CG 2.98Å; S620-K624 PolarHBondContact O-N 3.39Å; K624-S626 PolarHBondContact O-N 3.44Å; K624-Y627 PolarHBondContact O-N 2.78Å; K624-E628 WeakPolarHBondContact O-CB 3.25Å; K624-E628 PolarHBondContact O-N 3.44Å
625M39.7Very low38.1Very low126 Ų126115.8 Ų115.862%0.62163%0.629SS**Hα-helixtrans-66.6-21.9173.2-86.7-174.2-86.300114.2E621E621-M625 HydrophobicContact CB-CE 4.34Å; E621-M625 WeakPolarHBondContact O-CB 3.24Å; E621-M625 WeakPolarHBondContact O-CE 3.36Å; E621-M625 PolarHBondContact O-N 2.03Å
626S39.4Very low37.7Very low79 Ų79116 Ų11655%0.55264%0.639SS**Hα-helixtrans-89.7-24.3175.4-65.80000113.6S622 V623 K624S622-S626 PolarHBondContact O-N 3.22Å; S622-S626 PolarHBondContact O-OG 3.04Å; V623-S626 PolarHBondContact O-N 2.91Å; K624-S626 PolarHBondContact O-N 3.44Å
627Y36.6Very low37.6Very low171 Ų171115.2 Ų115.267%0.67165%0.646SS**Hα-helixtrans-87.4-29.7175.5-98.1-91.6000113.3V623 K624 K629V623-Y627 HydrophobicContact CG1-CD2 4.2Å; V623-Y627 PolarHBondContact O-N 3.13Å; V623-Y627 VanDerWaalsContact O-N 3.12Å; K624-Y627 PolarHBondContact O-N 2.78Å; Y627-K629 VanDerWaalsContact C-N 3.28Å; Y627-K629 PolarHBondContact O-N 3.24Å
628E38.3Very low37.1Very low166 Ų166120.2 Ų120.278%0.77666%0.664SS**THydrogen-bonded Turntrans-75.6-9.5176.8-82.1-179.4137.300114.5K624K624-E628 WeakPolarHBondContact O-CB 3.25Å; K624-E628 PolarHBondContact O-N 3.44Å
629K38.8Very low36.5Very low183 Ų183121 Ų12180%0.79667%0.673SS**THydrogen-bonded Turntrans-89.2-4.6174.9-91.5-178.7177.4175.70115.1Y627Y627-K629 VanDerWaalsContact C-N 3.28Å; Y627-K629 PolarHBondContact O-N 3.24Å
630N37.7Very low35.9Very low134 Ų134124.9 Ų124.972%0.71769%0.687SS**SBendtrans-131.614.9-170.1-71.9-50.5000115.6
631L34.3Very low35.2Very low138 Ų138128.9 Ų128.972%0.72371%0.71SS**  trans-108.5126177.3-117.979.2000113.1
632P35.5Very low34.7Very low116 Ų116136.9 Ų136.975%0.75374%0.737SS**  trans-66.2139.8175.5-11.926.3000111.4G634P632-G634 PolarHBondContact O-N 2.75Å
633S31.9Very low34.4Very low127 Ų127140.8 Ų140.889%0.88875%0.753SS**SBendtrans-49.7121.7173.949.70000113.9
634G34.1Very low34.1Very low65 Ų65143.8 Ų143.867%0.6777%0.766SS**  trans154.5115.1160.200000114.5P632P632-G634 PolarHBondContact O-N 2.75Å
635L33.3Very low33.8Very low177 Ų177144.1 Ų144.193%0.92778%0.775SS**  trans92.597.1168.2-76.680.3000118.8
636S29.7Very low33.5Very low107 Ų107145.2 Ų145.275%0.74878%0.784SS**  trans-67.1164.313957.60000110.2
637P36.2Very low33.1Very low120 Ų120149.3 Ų149.378%0.77980%0.799SS**  cis-147.7175.434.237.2-13.6000118.1
638E30.5Very low32.9Very low179 Ų179147.9 Ų147.984%0.83681%0.807SS**  trans-43.9150.1170.2-58168.5135.800115.8
639T28.9Very low32.5Very low127 Ų127146.6 Ų146.678%0.77981%0.809SS**  147.3122.7120.6-46.60000111.8
640M28.3Very low32Very low159 Ų159143.8 Ų143.878%0.78381%0.811SS**  trans143.7107.8156.2-84.8-172.9-145.700107.9Y642M640-Y642 HydrophobicContact SD-CE2 4.29Å
641V26.8Very low31.5Very low134 Ų134144.6 Ų144.681%0.81282%0.818SS**  42.693.356.9-168.90000113.1
642Y28.7Very low31.3Very low286 Ų286145.2 Ų145.2100%1.12283%0.827SS**  trans-152.30141.9-95.5-73.8000109.6M640M640-Y642 HydrophobicContact SD-CE2 4.29Å

Retrieved 642 of 642 residues in 166.2 ms (Link to these results)

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